#DEFINITION	Reference Metabolome for Sesbania cannabina
#IDENTTFIER	RefMeta-Sesbania cannabina.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Sesbania cannabina
#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 Sesbania cannabina 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	999.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	12.4
72.99188	1.0
73.02825	1.4
75.00717	0.4
81.03334	0.8
83.01253	1.2
83.04893	0.7
85.02827	2.6
87.00761	2.6
89.02322	9.8
94.21285	0.3
95.01283	1.0
95.04893	0.3
96.95906	1.8
97.02831	3.2
97.06487	0.5
99.00750	1.0
101.02324	9.7
105.96071	0.3
109.02856	0.4
109.06456	0.9
111.00703	0.3
111.04411	0.4
111.08041	9.2
113.01619	0.4
113.02337	5.4
119.03407	2.8
123.00752	0.3
123.04456	0.4
125.02348	3.9
125.05948	0.3
125.09621	0.7
127.07571	0.9
131.03349	0.5
137.09596	0.8
139.03882	0.4
141.01834	0.3
143.03407	1.7
149.04448	0.5
151.11191	0.9
153.09091	0.3
153.12761	0.9
161.04463	2.3
163.11226	0.9
165.12743	1.5
167.10655	0.4
169.12250	3.9
171.10184	2.8
179.05559	3.1
181.12245	1.1
183.13815	0.9
183.30072	0.3
185.11816	0.5
193.12276	0.7
197.11768	44.8
198.12146	1.6
199.13335	2.3
209.11682	0.9
209.15512	0.3
211.13339	7.7
221.06656	1.3
223.13179	0.3
227.12851	2.0
229.69492	0.4
235.08157	2.5
247.20758	1.0
253.09250	0.8
263.20172	2.9
265.18005	1.0
273.18646	1.8
277.21741	0.8
287.07703	0.6
288.78625	0.3
289.18250	0.3
291.19678	20.4
292.19983	1.2
293.21069	0.4
305.08749	1.2
306.07727	0.5
309.20718	100.0
310.21054	6.1
323.09744	0.3
327.21738	0.4
333.20755	0.6
351.21457	0.3
353.77081	0.3
379.12399	1.3
397.13501	22.2
398.13815	1.0
415.14569	15.2
416.14798	0.9
427.62836	0.3
510.22098	0.3
545.78162	0.3
595.25470	0.4
601.41156	1.9
689.33850	1.1
707.35016	3.3
747.68500	0.3
753.55896	0.4
915.80206	0.3
921.47400	0.4
999.53687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	12.1
71.04865	0.3
71.06335	0.8
72.99175	0.9
73.02824	1.7
75.00714	0.3
81.03335	0.9
83.01255	1.2
83.04889	0.8
85.02819	3.4
87.00752	2.6
89.02316	10.2
93.03304	0.4
95.01257	1.4
95.04906	0.3
96.95888	1.0
97.02251	0.5
97.02834	5.4
97.06448	0.8
99.00768	0.7
99.04372	0.3
101.01698	0.6
101.02322	8.7
109.02854	0.4
109.06516	0.4
111.04404	0.4
111.08044	6.5
113.02329	5.1
113.09584	0.3
119.03391	2.7
119.08549	0.5
123.08055	0.4
125.02338	3.6
125.09611	1.3
127.07508	0.5
127.11156	0.6
131.03372	0.7
137.09607	1.7
143.03394	1.8
151.11151	0.7
153.09093	0.3
153.12735	0.8
161.04482	2.2
163.11189	1.4
165.12755	3.2
166.09859	0.4
169.12262	2.5
169.56732	0.3
171.10187	3.0
179.05557	2.5
179.10739	0.4
179.14362	0.5
181.12228	1.6
183.13777	1.0
191.14459	0.4
193.12320	0.9
193.15878	0.6
197.11763	29.1
198.12100	1.0
199.13329	1.3
209.11800	1.6
211.13362	5.3
212.13663	0.4
221.06638	1.2
221.11864	0.4
223.13371	0.5
227.12863	2.7
235.08199	3.5
245.06294	0.4
245.19026	0.6
247.20648	3.0
251.16563	0.3
253.09322	0.8
263.07715	0.4
263.20132	1.6
265.18164	1.0
273.18564	1.5
278.98279	0.3
287.07764	0.8
291.19656	33.6
292.20102	2.0
293.21280	0.6
305.08835	0.8
309.20697	100.0
310.21082	5.1
323.09851	0.7
325.20059	0.7
333.20636	0.9
351.21970	0.4
378.97357	0.4
379.12604	1.6
397.13489	25.0
398.13989	1.2
415.14572	12.6
460.89075	0.4
601.41370	1.5
689.33411	1.6
707.35193	3.3
999.54120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99905	1.9
71.01257	26.1
72.01572	0.4
72.99185	3.2
73.02821	5.7
74.11683	0.4
75.00751	9.0
77.35609	0.4
81.03329	0.4
83.01254	4.1
83.82433	0.3
84.02050	0.4
85.02826	15.7
85.99958	1.3
87.00750	8.4
87.04404	2.1
89.02323	6.8
95.01260	3.4
96.95874	1.4
97.02817	1.3
98.20495	0.5
99.00758	10.5
101.01691	0.8
101.02321	9.9
103.03889	2.5
111.00780	0.6
112.01521	0.5
113.02342	8.8
115.03927	2.3
119.03384	1.6
125.02316	1.1
131.03400	4.7
139.00215	0.4
143.03423	5.4
145.04961	1.0
151.03926	0.4
157.01299	0.9
161.04477	1.3
163.06056	2.1
185.64723	0.3
205.07095	3.3
247.08185	0.4
319.97302	0.4
345.05777	0.4
375.06857	0.4
513.39319	2.5
583.43744	1.7
655.41510	0.5
673.42950	1.1
774.66412	0.5
925.51770	1.0
937.55469	0.7
981.54803	2.7
982.54907	0.7
999.55377	100.0
1000.55804	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	999.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	23.3
71.56930	1.9
71.57362	1.9
73.02843	2.5
79.95575	1.7
83.01262	2.7
83.04893	2.2
85.02821	12.0
87.00753	3.4
89.02325	19.7
95.01342	1.9
96.95898	18.7
97.02840	7.0
97.06474	1.9
101.02336	17.6
109.06503	2.4
111.08044	8.7
113.02322	7.2
119.03393	5.1
125.02360	7.0
137.09639	3.8
143.03400	3.3
161.04506	4.7
171.10185	28.1
177.12819	2.8
179.05563	3.7
183.13834	4.4
185.11842	2.4
195.13861	2.5
197.11810	10.3
209.11888	4.8
211.13272	15.1
221.06775	2.8
221.11839	2.6
225.15088	2.0
229.14452	7.1
235.08191	5.5
251.16457	5.4
273.18317	2.2
277.21875	3.1
289.18112	9.1
290.18387	4.7
291.19659	68.5
292.20047	4.9
293.21228	8.6
307.19321	4.0
309.20731	47.8
310.21078	5.1
325.20227	8.0
327.21771	100.0
328.22159	5.5
379.12585	3.0
397.13443	49.5
398.13861	5.8
415.14618	20.3
416.14990	3.1
601.41101	2.3
689.33612	14.0
707.34906	7.7
725.35468	3.4
859.38220	1.9
999.55176	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	997.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09615	7.1
71.01252	26.9
72.99197	2.2
73.02824	7.0
75.00735	9.0
83.01247	3.0
85.02822	16.4
85.99966	1.9
87.00767	12.2
87.04402	2.8
89.02346	5.2
99.00761	17.7
101.02332	5.4
103.03905	2.1
113.02337	9.7
115.03886	2.7
121.05353	1.5
131.03416	7.9
143.03403	3.9
205.07140	2.3
230.98880	1.6
385.94797	1.7
401.75592	1.7
432.31229	1.6
439.35495	2.4
632.72998	1.6
701.42749	4.6
793.44080	3.1
979.53351	2.8
997.53833	100.0
998.54144	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	999.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40229	0.2
71.01251	1.7
71.57931	0.4
73.02803	0.3
75.00746	0.7
85.02820	1.0
87.00763	0.4
88.98679	100.0
89.99022	1.0
96.95881	0.8
99.00771	0.9
101.02323	0.3
102.16761	0.2
113.02332	0.8
115.03865	0.4
119.18726	0.2
119.34597	0.2
131.03447	0.5
143.03404	0.5
199.19415	0.2
205.07156	0.2
221.15242	0.2
236.10503	0.4
244.58185	0.2
249.65315	0.2
274.80731	0.2
330.56320	0.2
455.35553	0.2
509.22467	0.2
569.38629	0.3
570.39117	0.3
613.37720	0.6
909.48517	16.7
910.48950	3.8
955.45343	0.5
964.91803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.497
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92699	3.7
71.01242	10.4
73.02832	1.2
75.00762	6.2
85.02825	5.3
87.00751	1.7
89.02318	5.4
95.01258	2.4
96.95909	16.1
99.00762	9.8
101.02339	4.8
113.02327	4.5
119.01265	2.3
121.02875	3.9
123.09733	1.3
125.02339	2.1
148.01575	1.8
149.02357	25.7
150.03082	2.7
153.01790	1.6
163.03925	2.9
164.04707	16.1
171.10217	2.7
175.00294	7.8
176.01039	11.0
179.07076	2.8
190.02652	29.4
191.03410	15.5
197.11856	1.8
205.04987	18.9
206.05710	5.1
207.02957	2.3
208.03723	3.1
209.04486	3.3
221.08150	4.1
223.06079	14.9
237.07579	2.2
250.04758	2.4
251.05606	1.7
265.07059	7.8
289.18192	1.5
291.19684	2.5
293.21115	3.8
295.08224	1.5
309.20715	8.5
324.71207	1.4
325.19897	1.2
397.13452	3.3
415.14798	2.0
444.52310	1.2
453.33795	2.4
455.35300	2.9
475.31610	1.6
630.31555	1.4
721.24445	4.0
999.49567	100.0
1000.49664	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	997.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	1.0
71.01257	23.8
71.04965	0.2
72.99184	2.7
73.02822	5.5
75.00751	9.9
81.03328	0.3
83.01258	2.5
84.02073	0.2
84.48253	0.2
85.02827	15.2
85.99973	1.8
86.03194	0.3
87.00756	8.9
87.04389	2.3
89.02318	3.8
95.01271	2.8
97.02845	0.5
99.00763	13.4
99.04420	0.3
101.02329	4.5
103.03904	1.2
111.00774	0.6
112.01578	0.6
113.02336	8.9
115.00321	0.3
115.03899	2.7
119.03458	0.3
125.02398	0.3
127.03918	0.2
128.93787	0.2
129.01857	0.4
131.03403	7.4
132.85529	0.2
139.00269	0.3
143.03410	4.8
145.04970	1.0
157.00262	0.2
157.01355	1.0
163.06047	1.2
205.07144	2.8
219.79419	0.1
221.07303	0.1
247.08228	0.4
360.01620	0.2
389.29144	0.2
423.32629	0.4
437.34219	0.5
439.35855	1.7
440.36230	0.3
449.35193	0.2
465.37430	1.2
491.35358	0.3
541.38757	0.4
581.34552	0.3
597.38062	0.3
611.43304	0.6
683.41681	0.2
701.42664	2.2
702.42145	0.2
789.47986	0.4
921.52667	1.3
935.53339	0.9
979.52319	2.0
980.52112	0.3
997.53827	100.0
998.54144	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	997.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.2
70.02830	1.8
70.86547	1.4
70.86868	1.3
71.01254	24.0
71.02370	1.9
72.00780	0.9
72.99184	2.6
73.02815	2.9
73.37047	0.7
78.95787	2.8
81.03333	2.9
83.01264	4.2
83.04875	1.8
85.02821	5.9
87.00751	6.8
89.02316	21.7
89.02838	1.7
95.01257	2.1
95.02382	2.7
95.04874	2.2
96.95877	2.0
97.02820	7.3
97.06461	3.3
99.00764	1.8
99.04370	0.9
101.02316	18.2
106.04113	1.1
109.02840	1.0
109.06463	1.6
111.00775	2.0
111.04372	1.1
111.08038	7.5
113.02328	10.6
113.03459	9.3
114.01866	8.0
118.84869	0.8
119.03368	6.5
119.08520	1.0
121.96178	0.8
123.04427	2.4
123.08045	1.6
125.02348	8.0
125.09618	5.6
131.03500	1.9
131.04515	28.2
132.04854	2.4
133.04947	1.6
135.08063	1.7
137.09657	4.4
139.03990	1.0
141.01849	1.2
141.12721	0.9
141.44521	0.8
143.03383	3.9
149.04442	0.9
149.05901	1.0
153.12671	1.0
159.56522	0.8
161.04463	4.3
163.11168	7.3
165.11473	0.8
165.12755	5.2
169.12218	2.5
171.10199	4.4
179.05557	7.2
181.12280	2.6
183.13864	1.9
185.11739	6.8
191.14380	6.2
193.12335	1.3
197.11765	40.8
199.13365	1.8
207.10210	3.2
209.11757	18.8
210.12123	1.2
211.13370	9.3
217.15897	1.1
221.06557	3.0
221.11800	1.0
223.13217	1.6
225.11322	2.8
227.12808	4.6
235.08195	6.5
237.11322	3.3
243.17371	1.1
245.19070	14.9
247.20633	3.2
253.09178	1.6
263.20172	4.6
265.18073	1.5
271.16962	1.9
273.18588	2.7
277.21686	1.9
279.23276	3.6
280.23608	2.9
281.21164	2.3
287.07730	2.4
289.18082	63.7
290.18472	3.3
291.19653	37.6
292.19922	1.5
293.21188	2.5
305.08820	1.4
305.17334	0.9
307.19141	64.4
308.19583	3.9
309.20703	100.0
310.20920	4.7
323.09665	1.4
325.20139	2.8
360.83286	0.8
379.12354	3.7
397.13480	45.9
398.13898	2.8
415.14584	23.8
444.94366	0.9
476.27710	2.5
477.28134	2.4
478.28146	1.3
599.40015	1.1
607.25671	1.7
687.32306	3.5
689.33844	1.0
705.33435	2.8
707.35059	1.9
997.54675	5.3
998.53613	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	997.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
71.01258	23.6
71.57717	2.1
72.99179	3.0
73.02818	4.1
78.95757	1.2
81.03345	2.1
81.20810	1.2
83.01288	3.1
83.04887	1.9
85.02813	6.2
85.99123	1.3
87.00742	5.5
89.02320	20.0
95.01281	2.4
96.95889	4.4
97.02840	6.4
97.06462	3.4
99.00748	2.9
101.02320	13.9
101.40321	1.1
108.20589	1.4
109.02846	1.5
109.06472	2.3
111.04372	1.4
111.08028	10.3
113.02345	8.4
113.03522	1.6
113.06029	1.6
116.92719	2.3
118.34055	1.3
119.03397	5.0
123.04414	2.8
125.02325	4.0
125.09607	4.2
127.07547	1.5
131.04460	2.7
132.02893	1.7
137.09627	2.7
143.03409	2.4
151.11136	1.4
161.04449	4.8
163.11212	5.0
165.12738	4.6
167.10611	1.6
169.12251	5.3
171.10133	2.0
179.05540	7.3
181.12282	3.5
183.13762	2.3
185.11781	4.4
186.31845	1.2
191.10631	1.5
191.14340	4.2
197.11768	55.7
198.12070	1.6
199.13258	1.8
207.10295	1.7
209.11794	15.0
211.13379	10.1
221.06491	3.1
225.11348	1.8
227.12840	5.4
235.08157	5.1
237.11281	2.1
243.17558	1.4
243.51201	1.3
245.19118	13.2
251.96591	1.3
253.09242	2.7
263.20187	5.4
277.21725	3.3
281.21201	1.6
287.08102	1.4
289.18112	49.7
290.18381	3.5
291.19681	19.6
292.20129	1.4
307.19165	46.5
308.19431	1.5
309.20715	100.0
310.20953	4.0
323.09570	2.0
350.08075	1.5
397.13535	34.0
398.13623	1.4
415.14539	19.7
483.31177	3.1
607.26270	4.1
641.74542	1.5
687.32642	2.3
705.33325	3.8
707.34180	1.6
899.46680	2.8
979.16785	1.4
997.53821	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	997.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	2.0
71.01254	43.9
71.57865	3.3
72.99174	3.2
73.02820	6.2
73.66772	1.5
75.00739	16.4
83.01261	4.1
85.02824	33.0
85.76858	1.7
85.99961	3.7
87.00749	19.5
87.04391	4.4
89.02320	5.6
95.01269	5.7
96.95872	3.3
99.00762	22.0
101.02335	10.0
103.03880	1.8
109.38890	1.9
112.01566	2.3
113.02340	18.9
115.03901	5.0
131.03387	13.6
139.00275	2.3
143.03409	7.8
145.04982	2.1
148.67632	1.9
157.01294	2.4
163.06012	3.0
205.07016	8.5
211.13493	1.9
502.42996	1.9
666.54211	2.0
953.51190	100.0
954.51404	18.8
997.50342	66.1
998.50507	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	997.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27571	1.5
71.01253	17.7
72.99181	2.3
73.02820	2.1
75.00746	12.7
83.01263	2.1
85.02824	8.5
87.00737	1.7
89.02319	6.6
91.22301	0.3
95.01266	3.6
96.92174	0.3
96.95873	0.8
97.02826	0.5
99.00755	13.0
101.01704	0.6
101.02323	7.8
111.00775	0.7
112.01569	0.4
113.02327	7.1
115.00249	0.5
116.92744	0.7
119.03379	2.5
125.02349	0.4
131.03418	0.7
131.04446	0.4
134.03514	0.4
139.00261	0.9
143.03433	0.5
157.01291	0.7
161.04457	0.6
179.05475	0.5
356.69681	0.4
453.33777	1.3
455.35352	3.8
456.35672	0.7
497.36249	2.4
523.37860	5.1
524.38336	0.8
551.37415	0.7
569.38495	8.3
570.38885	0.6
587.39429	1.6
613.37744	2.1
659.41437	1.4
731.43372	2.0
793.43842	6.0
794.44104	0.8
817.44025	0.6
835.44714	0.9
925.48572	0.7
953.51154	2.9
954.51788	1.0
997.50153	100.0
998.50543	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	993.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01105	0.3
71.01256	0.4
75.00746	0.2
78.95781	0.1
79.95613	5.3
85.02815	0.3
87.00722	0.1
89.02333	0.1
94.97994	0.1
95.01283	0.1
95.97466	0.1
96.95894	100.0
97.95826	0.3
99.00765	0.1
101.02321	0.1
113.02351	0.1
114.93280	0.1
130.49223	0.1
131.03360	0.1
143.03456	0.1
167.07393	0.1
374.55637	0.1
719.08264	0.1
895.50684	1.5
896.50983	0.3
933.47986	0.1
993.47125	0.6
994.48218	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	995.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	1.0
71.01254	25.5
71.58549	1.1
72.49562	0.5
72.99191	3.1
73.02822	6.1
75.00744	10.1
81.03356	0.6
82.95259	1.1
83.01262	3.6
85.02824	16.3
85.99957	1.5
87.00756	9.1
87.04377	2.5
89.02322	6.6
95.01272	4.0
96.95911	0.8
97.02823	1.4
99.00758	11.8
101.02322	9.5
103.03895	2.7
111.00736	0.6
112.01553	0.7
113.02328	10.6
115.03897	2.5
119.03384	1.2
125.02319	0.8
131.02528	0.7
131.03400	4.6
139.00229	0.6
143.03413	5.7
145.04938	0.9
157.01315	1.3
161.04500	0.8
163.06012	2.3
187.36545	0.5
205.07199	3.3
210.54521	0.5
231.06279	0.5
247.08195	0.7
285.97498	0.6
509.36523	1.8
511.37839	0.8
579.40277	1.1
647.37836	1.1
669.40247	1.1
670.41138	0.5
933.52307	0.7
951.50116	6.5
952.50049	1.1
977.51141	3.3
978.49231	0.7
995.52179	100.0
996.52637	21.7
1017.20581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	0.7
70.33347	1.7
71.01257	24.2
72.99179	2.9
73.02815	4.8
75.00749	10.4
75.92876	0.5
76.38941	0.5
82.95278	1.8
83.01263	3.1
85.02830	13.3
85.99966	1.5
87.00756	10.3
87.04385	1.6
89.02314	4.6
95.01263	3.3
96.95865	0.8
98.19836	0.5
99.00755	10.3
99.04390	0.7
101.02323	8.1
101.08028	0.5
103.03894	2.8
111.00750	0.5
112.01572	0.8
113.02334	10.7
115.03883	2.1
119.03383	1.0
119.61598	0.6
123.09959	0.6
131.03419	4.5
143.03407	5.2
145.04999	1.1
155.40727	0.6
157.01360	0.6
163.06073	2.7
185.58983	0.5
205.07109	4.2
262.32660	0.4
509.36368	1.7
579.40259	1.6
658.24677	0.6
669.40070	1.4
775.63123	0.6
787.46783	0.7
933.51483	0.9
935.48737	0.6
951.49774	7.4
952.50024	1.9
977.51038	2.7
995.52264	100.0
996.52643	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	993.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	5.4
71.57891	1.1
73.02821	2.7
76.38858	0.7
83.01255	1.5
85.02846	1.4
89.02317	3.3
93.03331	3.4
101.02322	5.4
101.66221	0.7
113.02330	2.5
119.03425	1.1
121.02869	4.6
122.03627	11.5
133.02843	1.8
135.04460	0.8
136.01570	9.1
137.02327	2.6
143.03447	0.9
149.02348	15.9
149.04311	1.2
150.03130	82.0
151.00267	3.2
151.03937	12.7
161.04460	1.7
164.04715	3.1
165.05487	100.0
166.02626	8.3
166.05801	3.3
167.03288	1.4
175.03963	1.2
179.05589	1.1
180.04230	7.0
181.04994	12.4
190.06331	1.7
195.06560	69.7
196.06856	2.2
227.03523	0.8
241.80281	0.9
255.02968	1.7
265.35779	0.7
271.02609	0.8
284.03339	1.3
300.02545	1.4
309.07773	0.9
339.08771	1.3
342.10941	1.0
354.11102	0.9
357.09775	2.9
357.13614	4.5
357.43524	0.9
369.13467	3.4
372.12308	2.6
387.14481	24.2
388.14731	2.0
410.84326	0.9
429.21094	1.1
463.22928	1.1
477.70972	0.9
535.19983	3.1
553.21118	1.4
565.21228	1.1
579.07068	0.9
583.21844	52.8
584.22327	7.9
727.26422	1.5
745.27240	2.6
787.28040	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	993.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61526	0.8
71.01266	1.5
71.57861	1.1
71.58228	0.9
83.01266	1.6
85.02823	1.1
86.13135	0.7
89.02306	0.8
96.95936	1.0
107.01270	2.9
125.02328	1.1
134.03630	0.8
145.02875	1.4
150.03233	0.9
151.00284	9.5
152.64247	0.7
161.02437	1.1
163.00275	0.8
165.05405	1.4
169.01268	1.3
171.04417	1.4
178.99773	3.1
183.04453	3.2
185.02321	1.0
186.03154	1.0
187.03941	1.3
195.06558	1.8
199.03976	8.8
201.01823	1.9
203.03418	1.6
211.03996	1.7
215.03406	3.8
225.07585	0.9
226.02634	1.0
227.03435	8.5
242.02144	4.5
243.02968	33.7
244.03418	1.5
255.02982	20.6
256.03461	1.3
257.04501	4.5
259.06253	0.9
270.01727	4.8
271.02478	55.0
272.02945	4.5
283.02661	0.8
284.03275	1.4
285.04047	9.1
286.04758	3.9
287.05511	1.8
299.01968	100.0
300.02689	29.9
301.03308	3.0
313.03546	5.4
314.04327	89.1
315.05051	36.5
316.05325	1.9
586.66241	1.0
755.19537	1.4
769.21899	13.4
770.22729	1.5
931.32043	2.3
933.30511	6.7
934.31067	1.2
975.30994	3.3
993.32416	64.4
994.33038	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	989.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99690	0.5
69.79028	1.2
71.01257	2.7
71.87630	0.2
72.99191	1.6
73.02838	0.2
75.00749	13.1
83.01264	0.6
84.02020	0.2
85.02827	12.4
85.99942	0.2
87.00745	1.5
89.02335	0.3
95.01270	1.8
96.95930	0.3
97.02854	0.2
98.19812	0.2
99.00751	1.6
101.02370	0.2
105.98782	0.2
111.00757	0.3
112.01558	0.8
113.02332	8.1
115.00243	0.5
116.01039	2.8
117.01829	0.6
128.74840	0.2
129.01822	0.8
139.00313	0.3
142.99770	0.2
157.01349	1.0
175.02402	0.7
183.13824	0.2
211.13330	0.3
266.47324	0.2
327.21741	1.6
439.32056	0.2
441.33698	3.2
442.34247	0.3
483.31024	0.5
485.32608	2.4
486.33179	0.2
495.34940	0.6
539.33801	0.8
541.34271	0.2
555.37091	0.2
557.35193	0.2
599.35956	1.0
643.34778	0.5
661.35938	100.0
662.36279	10.6
907.90845	0.2
953.47437	0.4
974.76819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.466
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	1.2
69.00666	0.5
69.33673	0.7
69.34020	5.8
71.01255	14.5
72.99172	2.8
73.02826	0.7
75.00748	11.1
80.20217	0.5
83.01260	1.6
85.02823	8.1
87.00734	1.0
89.02316	7.2
95.01246	3.1
96.95883	1.0
98.19783	1.0
99.00758	10.7
101.02325	7.4
113.02332	6.6
115.00257	1.3
115.26613	0.6
119.03401	2.6
122.47171	0.5
137.06227	0.5
140.44829	0.5
144.73062	0.6
157.01398	0.9
158.49232	0.5
185.67552	0.6
298.93622	0.6
453.33640	1.3
455.35077	2.8
497.36731	1.8
523.38013	4.5
524.38184	0.7
551.37244	1.0
569.38556	8.9
570.38977	0.8
587.39514	1.1
613.37512	3.0
621.94360	0.6
644.04858	0.7
731.44055	1.8
775.43536	0.8
793.44006	6.7
794.44055	1.1
866.43433	0.7
867.42419	0.7
947.39795	0.6
955.49084	100.0
956.49414	19.3
991.44910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30971	3.5
73.02858	0.3
83.01266	0.7
83.15463	0.3
85.02805	0.6
93.03342	0.7
95.22646	0.4
96.95883	2.1
98.19707	0.6
98.24179	0.3
101.02336	0.3
107.01273	3.3
113.02295	0.4
125.02348	0.3
132.02068	0.8
135.00775	1.4
150.03188	0.4
151.00281	4.7
151.01392	0.6
152.01070	0.7
163.00299	1.7
164.01106	0.6
165.01921	0.4
169.01340	1.0
171.04407	0.5
173.84056	0.3
178.99783	1.5
183.04445	0.9
185.05893	0.8
187.03900	1.0
195.04500	0.5
199.03972	0.8
200.04628	0.5
211.03955	2.3
213.05507	1.0
217.05016	0.4
227.03442	37.3
228.03790	1.6
229.04970	4.0
239.03441	1.1
241.04893	0.5
252.58908	0.3
255.02968	78.2
256.03601	7.6
257.04578	3.2
269.04425	0.4
283.02484	2.9
284.03250	100.0
285.03970	31.3
286.04358	1.2
309.04034	0.6
327.05255	0.8
339.05127	0.5
403.01770	0.4
572.68573	0.4
739.20966	29.5
740.20801	2.6
847.27667	0.4
879.30811	0.4
927.32990	1.6
927.49591	0.4
929.30676	3.4
971.31830	1.3
988.51257	0.5
989.32892	33.1
990.33179	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	988.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.2
69.03315	0.6
71.01260	12.7
72.99170	2.5
73.02821	4.3
75.00750	6.2
83.01260	2.3
85.02831	10.3
85.99998	0.7
87.00757	4.9
87.04382	1.4
89.02309	4.8
95.01280	2.4
96.95891	0.9
97.02883	0.7
99.00758	5.8
101.02325	7.6
103.03893	1.7
103.35033	0.5
109.46927	0.5
111.00800	0.5
113.02329	6.8
115.00249	0.6
115.03902	1.3
119.03391	1.8
125.02271	0.6
125.99139	0.5
127.03864	0.5
131.03383	2.8
139.00256	0.5
143.03394	3.6
145.04958	0.9
151.69228	0.4
153.98935	0.5
157.01213	0.5
157.28641	0.5
161.04466	0.9
163.06012	1.2
205.07132	2.8
234.08307	0.4
303.63162	0.5
439.35739	2.1
464.94202	0.5
509.40018	1.8
599.39386	0.7
647.37640	0.6
776.60944	0.5
777.14368	0.6
907.50134	1.0
925.51678	100.0
926.52020	17.4
950.81476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
72.67165	0.3
83.01261	1.0
83.02398	0.5
93.03346	0.8
95.01268	0.4
98.19769	0.8
101.02321	0.4
104.27641	0.4
107.01279	2.6
119.06860	0.3
132.02124	0.7
135.00757	1.0
143.04890	0.4
151.00273	5.3
152.01089	0.6
159.04422	0.7
163.00272	1.5
164.01053	0.9
167.04910	0.4
169.01341	1.1
171.04391	0.4
178.99817	1.8
183.04404	1.1
185.02351	0.5
185.06075	0.8
187.03906	1.3
189.05571	0.5
192.00536	0.4
199.04092	0.5
200.04787	0.4
209.00781	0.4
211.04005	2.0
213.05554	1.0
213.84033	0.3
227.03453	39.3
228.03870	1.7
229.04980	3.7
239.03471	1.1
241.04967	0.6
255.02969	80.7
256.03610	7.9
257.04535	3.4
283.02527	3.2
284.03259	100.0
285.03983	29.7
286.04376	1.2
309.03952	0.5
326.04218	0.5
327.04770	0.8
339.04858	0.4
356.62653	0.3
393.06030	0.6
493.88358	0.4
548.02594	0.3
554.63226	0.3
575.14148	0.7
650.60950	0.4
739.20935	29.2
740.21490	2.8
847.26678	0.5
864.34796	0.4
927.33124	1.3
929.30786	2.5
971.31470	0.8
989.32965	29.6
990.33221	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	987.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.2
71.01254	1.5
72.60966	0.2
73.02827	0.2
79.77969	0.1
83.01265	0.3
83.04897	0.2
85.02820	0.3
87.00758	0.4
88.85751	0.1
89.02322	1.3
97.02856	0.4
97.06448	0.3
101.02322	1.2
113.02330	0.5
113.09590	0.6
115.07547	0.7
116.92755	0.3
119.03370	0.4
125.02345	0.7
126.06801	0.2
127.07501	0.3
128.08356	0.3
141.22493	0.2
161.04489	0.2
167.14328	2.4
169.91481	0.2
171.10213	0.3
179.05496	0.4
183.13834	1.5
185.15399	0.2
195.13831	9.0
196.14223	0.4
197.11697	0.2
211.13361	0.7
213.14841	1.0
218.76498	0.2
235.08167	0.5
241.14378	0.2
242.15178	1.0
249.22142	0.4
265.21735	0.7
267.23273	0.7
275.20059	0.3
277.21719	3.3
278.22018	0.4
283.22769	0.6
287.07837	0.2
291.19516	0.2
293.21225	7.2
294.21497	0.4
298.40872	0.2
305.08795	0.3
309.20679	0.5
310.20935	0.2
311.22266	100.0
312.22610	6.5
397.13461	5.5
398.13797	0.6
415.14655	1.9
675.36346	0.2
711.66052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.5
71.01254	16.2
72.99175	1.6
73.02824	2.3
77.17874	0.4
78.95770	3.7
79.68061	0.4
81.03364	0.6
83.01257	2.2
83.04910	0.9
85.02825	9.5
87.00748	4.3
89.02319	14.3
90.48844	0.4
93.03331	0.4
95.01243	1.3
95.04907	0.6
96.95892	0.9
97.02818	2.9
97.06471	2.2
99.00754	1.2
99.14644	0.4
101.02321	12.8
105.02682	0.4
109.02891	0.4
111.00751	0.5
111.04411	0.9
113.02334	6.2
116.22285	0.5
116.92757	0.6
119.03387	3.6
125.02328	4.5
125.09576	0.7
127.11197	1.0
131.03403	0.5
137.09570	1.4
143.03398	1.8
152.99500	4.6
155.10730	0.7
161.04498	2.9
165.12804	0.5
167.14371	0.4
171.00494	0.8
171.10181	16.0
177.12767	0.4
179.05569	3.2
183.13835	6.3
184.14142	0.5
185.11797	0.5
193.12256	0.7
195.13893	0.5
197.11812	0.5
201.11215	0.8
209.11725	0.9
211.13326	11.4
221.06615	1.1
221.11769	1.6
227.12923	0.7
229.14397	7.6
233.15459	0.5
235.08177	4.0
239.12866	0.9
242.06833	0.4
245.04341	4.7
251.16544	1.0
253.09277	1.0
253.21646	1.6
259.08554	0.5
269.17575	0.8
277.21716	28.5
278.22052	2.2
287.07831	1.2
287.12445	0.5
291.19614	4.0
293.21240	1.3
305.08975	2.1
309.20642	8.8
310.21158	0.6
311.22247	1.2
323.09918	0.9
327.21759	100.0
328.22101	7.0
348.49020	0.5
397.13492	44.8
398.13760	2.7
415.14563	15.9
416.14532	0.6
481.25623	6.6
482.26074	0.7
490.25397	0.5
587.43365	1.5
597.14606	0.4
675.36328	2.2
707.35107	3.9
708.35052	0.7
723.27466	0.5
725.35962	3.1
985.55731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.6
69.31953	1.5
69.32380	1.0
69.70114	0.3
71.01256	11.7
72.99189	1.2
73.02824	1.6
74.12953	0.2
75.00752	0.5
78.95792	0.7
81.03345	0.8
83.01255	1.7
83.04900	0.3
84.02060	0.4
85.02826	9.8
85.19006	0.2
87.00748	2.5
88.98661	0.4
89.02318	10.3
90.02686	0.3
95.01275	1.2
95.04937	0.6
96.95898	1.7
97.02831	3.2
97.06462	1.8
99.00740	0.8
101.02329	9.2
101.05975	0.3
108.38069	0.2
109.06450	0.3
109.79890	0.3
112.94309	0.3
113.02335	5.1
115.41754	0.3
116.92693	0.3
119.03381	2.8
119.08577	0.4
121.02805	0.3
123.04427	0.3
124.01543	0.2
125.02346	3.5
125.09606	1.0
127.11173	1.3
131.03410	0.7
137.02374	0.3
137.09621	3.1
139.11169	0.2
141.01785	0.4
143.03442	1.6
149.04362	0.3
152.99500	0.9
155.10701	1.1
157.93394	0.2
161.04486	2.5
163.11220	0.4
165.12766	1.0
167.14323	0.6
168.96010	0.3
171.10187	29.5
172.10551	1.1
177.12785	0.6
179.05533	4.0
183.13802	1.9
185.11771	0.9
188.83875	0.3
193.12247	0.7
193.85695	0.2
195.13837	0.4
197.11725	0.7
199.13371	0.3
201.11253	1.9
209.11780	1.1
211.13348	10.9
212.13715	0.6
221.06604	1.7
221.11789	1.8
227.12866	0.4
229.14394	8.2
235.08195	3.2
239.12852	2.0
245.04369	1.2
245.06470	0.3
247.20670	0.4
253.09311	0.8
253.21709	0.4
263.07697	0.3
275.20209	0.3
277.21732	18.8
278.22180	1.5
287.07745	0.9
291.19693	4.5
292.19989	0.4
293.21280	2.0
295.22702	0.8
305.08783	1.7
309.20731	12.1
310.20944	0.7
311.22360	1.8
311.72864	0.3
323.09897	0.4
327.21771	100.0
328.22125	6.2
351.21869	0.5
369.22745	0.5
379.12231	0.5
397.13516	22.2
398.13846	1.6
415.14597	14.3
416.14984	0.6
481.25970	1.3
526.78900	0.3
531.27716	0.5
545.29541	0.4
587.43329	2.1
588.43384	0.3
632.66229	0.3
675.36316	1.0
707.35059	5.2
708.35364	0.8
713.25000	0.3
725.36163	5.0
726.35449	0.4
985.56622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	0.2
70.32638	0.6
71.00898	0.2
71.01253	3.9
71.04935	0.1
72.99238	0.4
73.02882	0.5
79.95654	0.1
80.02587	0.2
80.46775	0.1
81.03395	0.4
83.01299	0.3
83.04960	0.5
84.02029	0.1
85.02831	0.8
87.00748	0.7
89.02314	2.5
93.03323	0.1
93.07028	0.2
95.01324	0.3
95.04940	0.2
97.02341	0.1
97.02818	0.6
97.06543	0.4
99.00790	0.3
99.04452	0.2
99.08112	0.2
101.02328	2.5
109.06542	0.5
111.04444	0.2
111.08038	1.6
113.02316	1.3
113.06022	0.2
113.09676	0.4
119.03396	0.6
120.05683	0.2
123.00785	0.1
123.08074	0.3
125.02334	1.2
125.09601	0.7
127.07594	0.3
127.11192	1.3
129.09148	0.2
135.08133	0.2
137.05968	0.1
137.09636	0.2
138.06821	0.2
139.07631	0.1
139.11223	0.2
141.09196	0.1
143.03481	0.5
144.03772	0.1
148.35745	0.1
149.09695	0.4
151.03961	0.4
151.07596	0.7
151.11200	1.2
152.08366	0.3
152.10669	0.1
153.09172	0.8
153.12756	3.5
155.10680	1.1
155.11609	0.1
156.11076	0.2
161.04457	0.7
161.09772	0.2
163.11232	0.2
165.12714	0.7
166.09926	0.2
167.10706	1.6
169.12285	0.9
171.13855	0.1
174.34178	0.1
179.05537	0.5
179.10718	0.6
179.14339	1.8
181.12262	3.1
183.13838	0.1
184.07391	0.1
185.53093	0.1
187.52008	0.1
193.08530	0.2
193.12277	0.2
193.15953	0.7
195.13834	0.1
197.11772	1.9
199.13303	1.2
200.10522	0.1
205.16081	0.1
207.10249	0.1
207.13843	2.0
209.11893	0.4
209.15381	0.6
210.12198	0.2
211.13383	0.2
213.15005	0.3
215.12836	1.6
216.17502	0.1
217.15994	0.3
225.11301	0.2
226.12103	0.5
227.12813	1.0
228.13663	0.6
231.17505	0.2
234.46045	0.1
235.08185	1.4
237.22150	0.2
239.95018	0.1
241.14484	0.2
245.19092	0.4
247.20618	3.9
248.21004	0.3
249.18633	0.1
253.09163	0.2
253.21883	0.2
263.19986	0.6
265.21762	0.5
273.18573	2.2
274.18863	0.2
275.16650	0.2
275.83698	0.1
277.21704	7.6
278.22195	0.6
281.21173	1.4
287.07700	0.4
289.17947	0.3
291.19659	24.2
292.19968	1.7
295.17584	0.1
305.08853	0.4
307.19150	0.6
308.19455	0.7
309.20691	100.0
310.21039	6.6
323.09790	0.2
397.13486	12.6
398.13873	1.1
399.14481	0.2
415.14526	4.4
416.14960	0.4
675.35364	0.3
676.35223	0.2
809.44855	0.1
843.81378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10022	0.2
71.01259	1.8
71.57098	0.2
71.57516	0.2
72.99186	0.3
73.02795	0.5
73.09498	0.2
75.00740	0.6
76.41024	0.2
79.45692	0.2
83.01263	0.2
85.02836	1.2
86.84138	0.2
87.00756	0.5
88.98682	100.0
89.99037	0.7
96.95916	0.5
98.02795	0.2
99.00774	0.8
101.02316	0.4
113.02303	0.7
114.39678	0.2
115.03883	0.5
117.60625	0.2
131.03401	0.9
136.51439	0.2
137.07260	0.2
142.62204	0.2
143.03421	0.4
205.07101	0.4
439.36057	0.3
608.51593	0.2
623.07642	0.2
712.63446	0.2
775.05798	0.3
895.50629	16.9
896.50983	2.8
985.48737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	0.6
69.99985	2.5
71.00851	1.1
71.01255	44.2
72.99183	100.0
73.02796	1.1
73.99490	0.6
75.00759	2.6
83.01257	1.2
85.02821	14.2
87.00761	3.3
89.02321	25.3
95.01284	2.6
96.95878	0.7
99.00726	2.8
101.02324	9.7
102.02682	0.5
113.02332	23.4
115.00251	2.3
119.03394	3.5
131.03418	0.7
133.01334	10.5
134.85712	0.5
143.03387	1.4
161.04482	2.4
161.10530	0.5
165.02000	0.6
179.05528	7.4
224.65721	0.5
253.05571	0.7
268.51770	0.6
294.93375	0.5
337.07745	10.4
355.08792	8.9
355.12955	0.9
395.54892	0.5
423.32791	1.3
485.32776	6.3
486.32993	0.7
518.54181	0.5
647.37952	4.7
648.37933	1.1
823.43610	0.7
936.28656	0.6
985.46539	95.7
986.46820	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	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.6
71.01257	17.7
71.08334	0.4
72.99197	1.3
73.02832	2.6
75.00756	0.7
81.03337	0.8
82.44006	0.4
83.01267	1.2
83.04898	0.9
85.02821	4.9
87.00760	4.5
88.76952	0.5
89.02323	13.7
95.01254	1.0
95.04919	0.5
96.95923	1.3
97.02834	5.2
97.06494	0.4
99.00771	1.3
101.02328	13.0
107.82513	0.4
109.06399	0.5
111.08054	5.8
113.02334	7.5
113.03057	0.7
116.92725	0.5
119.03393	4.5
121.10089	0.8
125.02346	5.4
125.09627	0.8
127.07552	0.5
131.03410	1.1
141.01892	0.5
143.03372	2.2
151.11195	0.5
153.09183	0.7
153.12790	0.9
154.43706	0.5
158.84425	0.6
161.04459	2.4
162.98729	0.5
163.11128	0.9
165.12794	1.6
167.03287	0.6
167.10663	0.5
169.12213	2.2
171.10118	4.0
177.12846	0.6
179.05545	4.5
179.14331	1.1
180.92804	0.5
181.12289	1.2
183.13795	0.7
185.11838	0.5
195.13834	8.0
196.14499	1.3
197.11778	29.4
198.12132	1.2
199.13345	1.3
205.12335	1.0
205.15851	0.6
207.13934	1.1
209.11809	0.9
211.13341	4.8
221.06636	1.7
223.13359	5.2
225.14925	1.0
227.12842	1.9
228.13513	0.7
231.21062	0.6
233.15421	0.5
235.08234	4.3
247.20491	1.2
251.16104	0.5
253.09250	1.3
256.13196	0.7
263.20169	1.8
265.18015	0.7
273.18689	1.1
275.20203	6.0
276.20432	0.6
277.21695	1.7
287.07669	1.3
289.18094	1.4
291.19659	22.1
292.20068	1.4
293.21234	100.0
294.21545	6.6
305.08679	1.4
309.20715	76.7
310.21045	5.0
318.99152	0.5
323.09802	0.8
379.12549	1.9
397.13501	35.7
398.13940	2.3
415.14590	20.3
416.14685	1.0
573.59552	0.5
585.41510	3.2
673.34314	0.7
689.33185	1.5
691.35132	1.6
707.34680	2.0
983.55341	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	983.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.1
71.01255	19.0
71.14661	0.8
71.15003	0.8
72.99171	1.3
73.02827	2.7
75.00770	0.5
83.01276	1.6
83.04887	0.7
85.02827	4.5
87.00745	4.4
87.43316	0.5
89.02316	19.1
95.01285	1.5
95.04900	0.8
96.95903	1.6
97.02824	2.8
99.00770	1.5
99.04393	0.8
101.02323	14.5
107.76722	0.5
109.02879	0.7
109.06479	1.1
111.04420	0.9
111.08048	10.6
113.02343	8.0
119.03400	4.3
121.10127	0.9
123.08074	0.8
125.02333	5.8
127.07511	1.0
139.00316	0.6
139.03964	0.6
141.01805	0.7
143.03427	2.7
151.11224	0.8
153.09160	0.6
153.12781	0.7
161.04439	3.6
165.12744	0.5
169.12241	3.9
171.10184	5.0
179.05540	4.9
179.14359	1.4
179.38870	0.5
181.12236	1.7
183.13847	1.3
185.11858	0.6
191.65710	0.5
193.12270	0.8
195.13853	8.0
196.14337	0.8
197.11769	43.6
198.12111	1.7
199.13358	1.6
205.12349	0.6
205.15904	0.7
211.13322	7.3
211.45799	0.5
212.13831	0.5
217.07211	0.5
221.06627	2.7
223.13341	5.4
227.12851	1.4
228.13570	1.2
235.08167	4.2
249.14909	0.9
253.09227	0.9
256.13208	1.0
263.07712	0.9
263.20148	3.3
265.18057	0.8
273.18646	0.8
275.20117	6.5
276.07346	0.6
277.21753	4.7
287.07690	1.6
289.18106	5.0
291.19693	16.9
292.20102	2.6
293.21228	100.0
294.21600	6.6
305.08771	1.7
307.19064	3.8
309.20706	92.1
310.21066	6.8
323.09872	1.2
325.20038	1.0
379.12234	2.5
397.13501	39.3
398.13919	2.9
415.14560	22.9
416.14743	1.6
498.07068	0.6
585.42035	2.5
678.61536	0.7
689.33728	1.2
691.35144	2.4
707.35217	1.5
983.55157	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	981.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.5
70.56671	0.5
71.00951	0.5
71.01259	5.3
72.99162	1.1
73.02817	1.3
75.00745	2.8
81.17253	0.5
83.04912	0.9
84.02037	5.5
85.02824	3.9
87.00749	2.0
87.04390	0.7
89.02294	1.7
91.08210	0.5
95.01254	0.7
95.11183	0.6
96.95898	1.4
97.02831	1.4
97.06477	5.6
97.10097	0.5
98.20650	1.1
99.00773	3.1
99.04388	1.9
101.02335	1.5
113.02337	3.4
121.94269	0.5
125.09597	2.0
127.11188	0.9
131.03424	1.2
137.09624	0.9
143.03458	0.9
145.04865	0.7
153.09085	1.0
171.10187	18.6
172.10518	0.9
177.12784	0.6
183.13823	1.6
192.69490	0.7
193.12277	8.7
205.07133	0.8
209.11754	1.8
211.13411	4.5
215.14417	0.8
221.11800	0.7
223.16969	1.7
225.14926	12.0
230.13953	1.0
233.15387	1.9
243.15999	4.7
249.14969	1.6
253.09325	0.5
253.14258	0.7
291.19611	1.3
341.23322	100.0
342.23627	7.2
385.23764	1.6
403.25012	1.1
525.35229	0.9
621.32782	9.9
622.33044	1.1
639.33661	3.2
661.37885	0.5
981.50818	17.7
982.50958	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	981.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	2.6
71.01256	19.9
71.57932	2.7
71.58300	1.6
73.02827	3.8
81.03323	1.8
83.01262	1.5
85.02830	5.2
87.00760	5.4
89.02323	16.1
95.01280	1.8
95.04890	1.6
96.95894	18.2
97.02837	3.3
97.06452	2.4
98.95466	4.7
101.02316	13.5
109.06458	2.4
113.02356	7.0
119.03395	4.0
123.04385	2.2
125.02341	7.1
125.09582	3.1
132.25424	1.4
137.09639	3.5
143.03363	3.5
161.04440	2.3
163.11188	4.7
171.10228	2.2
179.05490	5.3
179.14301	1.3
185.11726	4.1
191.14355	4.6
195.13828	6.3
197.11797	2.2
207.10193	3.3
209.11790	8.0
211.13350	5.0
223.13345	5.0
225.11139	1.8
235.08168	3.7
237.11429	1.7
245.19087	8.3
245.63223	1.7
253.09114	1.9
263.20090	2.4
271.16962	3.7
275.20096	6.5
277.21664	7.0
287.07684	1.8
287.16528	2.2
289.18112	47.1
290.18521	2.9
291.19629	3.9
293.21234	100.0
294.21634	7.6
301.48682	1.3
305.08685	2.9
305.17453	4.4
307.19144	40.7
308.19492	3.4
309.20706	5.4
342.20618	1.6
371.78711	1.6
379.12503	3.5
397.13507	33.3
398.13965	2.6
415.14587	15.4
498.88290	1.4
566.67334	1.6
570.16882	1.7
687.32159	1.9
705.34180	2.0
951.49976	1.5
969.79504	1.5
981.53656	4.4
982.53070	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	981.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.9
70.81139	1.1
70.86958	2.8
71.01258	18.2
72.99161	1.6
73.02833	3.5
83.01291	2.3
83.04910	1.8
85.02839	4.8
86.10863	1.0
87.00758	3.5
89.02319	14.0
90.27811	1.1
95.01277	2.3
96.95900	4.9
97.02824	4.6
101.02327	12.8
111.08055	12.4
113.02331	7.8
119.03371	2.9
125.02346	4.6
131.03339	1.2
137.09671	3.0
140.62430	1.0
143.03404	1.9
153.12703	1.1
161.04483	1.8
165.12767	2.2
167.10617	1.9
169.12277	2.3
171.10138	2.1
177.12798	2.2
179.05586	4.5
179.10658	2.9
185.04576	1.2
195.13840	4.5
196.65846	1.0
197.11777	22.2
203.55588	1.1
210.60011	1.0
211.13268	4.0
221.06735	1.7
227.12892	1.6
235.08195	4.9
239.04791	1.3
247.20622	3.3
253.09285	1.4
263.20163	1.3
273.18613	1.9
277.21732	3.6
287.07944	1.2
289.17966	1.6
291.19662	100.0
292.19949	6.8
293.21289	2.3
305.17413	2.2
307.19031	1.2
309.20731	64.2
310.21045	4.8
379.12448	2.7
397.13483	35.7
398.13974	1.9
415.14645	12.7
517.90179	1.2
595.27039	1.1
597.60944	1.2
671.32654	2.6
689.33838	8.6
690.34448	1.4
707.35327	2.1
981.55524	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	981.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	2.1
69.03322	1.6
70.21371	0.4
71.01257	30.3
71.57614	0.5
71.58015	0.5
72.99184	3.7
73.02824	7.4
75.00751	13.4
83.01265	3.2
84.02014	0.6
85.02826	20.4
85.99971	2.5
87.00228	0.6
87.00757	11.7
87.04399	4.1
88.60837	0.4
89.02322	5.8
95.01260	3.6
96.95885	1.1
97.02829	0.5
99.00761	15.5
101.02319	6.1
103.03918	2.1
111.00808	0.7
112.01526	0.5
113.02337	13.6
115.00257	0.7
115.03900	2.3
119.03364	0.5
120.55480	0.4
127.03941	0.6
131.03401	12.0
139.00322	0.5
143.03413	7.1
145.04935	1.0
157.01321	1.4
163.06035	2.3
166.82588	0.5
171.10162	0.5
205.07133	5.7
242.53029	0.4
247.08278	0.6
371.24429	0.4
439.35974	1.7
481.36740	2.9
551.41205	1.2
629.15216	0.4
641.40649	1.1
710.11243	0.5
747.29980	0.5
875.52295	0.7
895.49829	0.9
919.50488	2.7
937.51703	100.0
938.51990	18.6
981.50714	18.6
982.50690	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	979.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.0
69.46116	3.7
71.00043	0.4
71.01255	18.0
72.99179	1.1
73.02816	6.1
75.00745	1.0
81.03347	1.2
83.01255	5.0
85.02825	7.3
85.06456	0.9
87.00739	1.8
87.04394	1.1
89.02316	4.8
95.01267	2.1
95.04926	0.8
97.02856	3.0
97.06480	0.9
98.03596	0.6
99.00751	3.8
99.04375	0.9
101.01698	1.0
101.02326	16.2
107.04924	1.6
109.06480	1.5
111.00841	0.7
113.02327	7.0
115.03869	0.6
119.03387	2.4
123.08044	20.7
124.08389	0.7
125.02325	1.2
125.05931	1.5
125.09644	2.7
137.06006	0.8
138.40993	0.5
139.07562	0.6
141.09132	1.0
142.06364	0.6
143.03410	1.2
145.10130	0.9
146.07173	0.5
147.08000	1.0
151.07544	3.2
157.06458	0.6
159.02916	0.7
161.04489	3.6
161.09639	14.9
163.11217	1.3
164.08316	1.4
167.07018	1.0
167.10661	0.5
168.90306	0.5
169.08597	1.0
171.08131	0.6
172.08852	0.6
175.07562	0.8
175.11299	0.8
177.12820	1.0
178.09901	0.6
179.10703	7.2
187.11221	2.9
189.09108	1.0
190.09909	1.4
191.10710	1.2
203.05513	0.7
203.10773	0.7
205.12271	18.5
206.12570	0.7
208.11020	1.0
223.13354	25.5
224.13643	1.0
225.33682	0.7
233.98688	0.5
240.36429	0.5
241.14423	40.4
242.14699	1.5
243.61255	0.5
265.14343	0.7
267.07227	0.5
283.15500	1.0
289.70233	0.5
385.18668	28.3
386.18918	2.0
403.19717	37.5
404.19989	2.7
407.36484	0.7
445.20773	100.0
446.21054	7.4
899.20630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.509
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	3.6
71.01251	59.6
72.99188	6.0
73.02814	7.8
75.00748	17.5
78.91756	3.0
80.91550	20.1
83.01277	7.4
85.02818	38.6
85.99994	3.3
87.00760	14.8
87.04427	2.5
89.02328	7.2
95.01256	5.7
96.95877	2.9
98.19727	3.9
99.00751	20.4
100.47605	1.9
101.02328	8.2
103.03897	2.6
111.00687	2.6
112.01547	3.8
113.02339	21.0
115.03893	3.2
131.03397	16.3
143.03404	8.6
153.01563	3.1
157.01297	2.7
166.99484	2.3
180.99922	2.1
196.92899	1.9
197.00790	2.2
205.07123	6.8
221.15486	4.7
230.69540	2.9
407.28186	2.0
439.35904	3.5
457.11298	1.9
509.40262	2.6
599.39709	7.0
621.37994	3.2
665.37280	3.6
681.39728	4.5
771.42889	13.5
895.50629	100.0
896.50647	18.1
917.48694	97.1
918.49066	18.6
935.48157	2.1
961.47748	26.6
962.47827	8.2
977.51080	22.1
978.51514	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	975.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84879	1.8
71.01260	18.7
71.70960	1.8
73.02818	2.2
75.00748	3.6
83.01263	4.5
85.02824	11.5
87.22774	2.1
89.02358	2.3
96.95901	7.3
97.02817	2.5
98.20553	5.0
99.00763	6.3
101.02309	5.4
102.08067	2.1
113.02380	4.5
125.02308	2.1
135.08037	4.9
135.81868	2.0
144.60468	1.9
149.06009	12.1
150.06767	100.0
151.07457	2.0
152.00269	1.9
162.06790	18.4
163.07555	88.6
164.08354	29.4
177.09122	29.2
178.09834	4.8
179.10689	68.3
179.12196	3.8
183.13800	2.9
190.84111	2.3
229.30756	2.2
333.78668	2.2
381.61469	2.2
461.36969	2.5
464.34979	7.2
478.36438	3.0
479.37277	14.5
608.39349	5.0
622.41119	12.1
623.41626	41.1
624.42084	6.4
626.40845	4.5
640.41956	28.0
641.42676	37.8
642.43066	3.9
647.40106	2.5
665.42487	11.6
682.42902	57.3
683.43756	86.7
684.43872	11.4
725.44769	8.8
767.45874	6.0
785.47467	9.5
803.47766	2.3
827.47992	48.5
828.48627	6.9
845.49054	35.1
846.49524	7.3
887.50189	70.7
887.67767	3.6
888.50623	9.7
939.49127	2.5
975.47107	3.0
997.12952	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	975.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	0.8
69.03325	0.4
71.01257	17.0
71.04919	0.3
71.30021	0.5
71.94263	0.4
72.99176	2.2
73.02818	4.1
75.00751	5.6
83.01263	1.9
85.02825	10.5
85.99971	1.5
86.03136	0.3
87.00766	4.9
87.04388	2.0
89.02320	5.2
92.10784	0.3
95.01258	1.9
97.02858	0.8
97.85896	0.4
99.00758	9.2
101.02319	7.0
103.03907	1.9
113.02341	7.1
115.00180	0.4
115.03900	1.9
119.03381	0.9
122.29723	0.3
126.02877	0.4
131.03389	3.5
143.03409	4.0
145.04906	0.7
157.01318	0.6
161.04515	0.5
163.06081	1.7
169.73917	0.4
200.15895	0.4
205.07149	2.6
222.05865	0.4
226.63287	0.4
247.25114	0.4
437.34482	0.7
453.33801	4.0
455.35239	3.8
497.36157	0.9
523.37872	2.5
524.38013	0.6
525.35516	0.5
537.35724	1.1
551.37256	1.3
567.36798	0.5
569.38171	2.1
570.38922	0.5
587.39703	0.7
613.37317	3.9
614.37628	0.7
713.42932	1.2
731.43555	1.5
921.48102	1.5
939.49628	100.0
940.49786	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	972.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99697	0.9
70.49803	1.9
71.00900	1.0
71.01263	14.9
72.99187	1.8
73.02809	3.4
75.00748	6.2
75.82386	0.7
85.02826	9.2
85.99967	0.7
87.00761	5.3
87.04407	1.1
88.98677	0.7
89.02304	3.0
95.01268	1.1
96.95869	1.4
97.47150	0.6
99.00769	7.2
101.02319	2.5
103.03847	1.0
113.02339	7.0
115.03877	1.1
126.79894	0.7
131.03384	5.0
143.03394	3.9
145.04964	0.7
157.01288	1.3
163.05957	0.9
205.07104	2.5
391.93298	0.7
453.33774	3.2
455.35355	3.7
523.38037	1.0
569.38275	2.8
587.86072	0.8
613.37280	5.2
683.42432	0.9
909.48578	100.0
910.48981	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	975.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40563	2.5
69.70632	6.4
69.71056	8.7
71.01260	2.8
83.01264	3.0
85.02831	3.3
96.95862	5.3
107.01317	2.3
113.02342	3.7
119.01279	4.1
130.98578	2.4
149.02321	3.9
151.00298	11.5
153.10324	2.2
153.82832	2.4
165.01849	2.4
165.05450	3.7
173.12306	2.1
175.00264	12.9
176.00887	3.4
178.99806	4.2
182.74557	2.2
190.02650	28.2
191.03416	5.1
195.06792	2.3
199.03915	10.4
205.05005	14.0
208.90868	2.3
215.03429	3.8
227.03430	14.3
236.97890	2.3
242.02202	8.1
242.68019	2.5
243.02963	36.6
255.02983	23.8
257.04605	3.4
270.01651	7.6
271.02490	52.0
272.02942	3.4
284.03195	9.5
285.03955	14.3
299.01962	100.0
299.05374	5.3
300.02682	18.0
313.03601	7.0
314.04343	79.8
315.01712	3.1
315.05078	22.0
348.64102	2.5
554.16187	2.5
769.22302	23.2
783.23407	3.9
790.18817	2.4
790.34021	2.8
975.27478	64.4
976.27673	9.4
981.37885	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	971.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.3
71.01255	16.2
72.99180	1.8
73.02822	2.8
75.00784	0.4
81.03338	0.7
82.30744	0.3
83.01261	1.9
85.02823	3.6
87.00740	3.5
89.02319	14.1
95.01276	1.1
95.04865	0.4
96.95886	0.4
97.02822	2.8
99.00745	1.1
99.04392	0.6
99.58144	0.2
101.02320	12.6
109.02795	0.3
111.04382	0.4
111.08072	0.4
113.02332	7.0
115.03917	0.5
116.92736	1.0
119.03394	3.8
125.02338	6.1
126.02733	0.3
131.03371	0.6
133.04956	0.9
141.01830	0.5
143.03432	2.4
149.04488	0.4
151.15353	0.3
161.04460	3.8
167.03535	0.3
167.10742	0.3
179.05513	3.4
179.14330	0.7
181.30914	0.3
185.04524	0.3
195.12056	0.4
195.13837	7.4
196.14340	0.6
205.12268	0.9
211.13293	0.6
217.07187	0.7
219.04880	0.4
221.06622	1.1
223.13367	5.9
224.13855	0.4
228.13658	0.7
231.21317	0.4
235.08195	7.6
235.10439	0.6
239.42282	0.3
242.13707	0.3
253.09286	1.4
256.13159	1.1
263.07605	0.4
265.21771	0.5
275.20172	4.2
277.09091	0.3
277.21689	0.3
279.23288	48.3
280.23621	2.9
287.07733	2.1
293.21225	100.0
294.21524	5.8
305.08810	3.5
323.09903	1.1
339.15912	0.3
379.12466	0.5
397.13492	66.6
398.13809	3.0
415.14548	24.8
416.14841	1.1
639.20880	0.3
677.37531	2.3
989.89087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52032	1.0
69.66891	5.3
69.67322	5.4
71.01257	15.8
72.99174	4.9
73.02820	3.1
75.00751	22.0
83.01225	1.5
85.02823	19.6
85.99984	1.3
87.00743	5.6
89.02311	2.5
93.03323	2.6
95.01252	2.4
96.95869	1.8
98.19869	1.9
99.00752	5.7
101.02341	6.5
107.89670	1.2
109.02785	1.2
113.02345	12.2
121.02844	2.4
122.03664	8.3
124.82205	1.3
131.03351	2.0
133.02849	1.7
136.01579	7.0
137.02255	3.5
143.81467	1.2
149.02341	11.9
150.03128	52.5
151.00266	2.3
151.03918	9.3
161.04454	1.8
164.04686	3.5
165.01825	5.5
165.05487	52.0
166.02617	6.7
166.05829	2.0
177.01797	2.0
177.05522	1.5
180.04243	8.3
181.05013	8.5
189.12766	4.6
193.05019	2.0
195.06569	37.5
196.06847	2.6
204.11674	1.6
219.13863	12.5
225.07648	4.3
284.03140	2.3
357.13565	2.2
372.12231	1.5
373.12762	3.5
387.14569	7.9
399.23770	5.0
417.15634	3.8
417.24625	1.9
421.15042	2.9
459.26169	1.9
470.21970	1.3
471.34857	18.0
472.35068	3.3
562.20337	1.5
565.20880	8.8
571.36591	1.8
585.38232	3.5
613.22607	3.8
647.37976	35.0
648.38293	5.2
761.28186	3.4
791.29315	2.3
809.29871	4.1
971.48450	100.0
972.48840	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	971.485
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	2.9
69.43708	3.5
69.44127	8.1
71.00890	2.2
71.01256	28.4
72.99174	3.8
73.02819	9.0
73.82075	1.1
75.00748	7.5
81.80267	1.2
83.01257	5.0
83.04898	24.5
85.02834	20.5
87.00754	9.1
87.04363	1.8
89.02333	7.8
95.01276	5.2
96.95887	3.7
98.20518	2.8
99.00764	20.3
101.02318	9.9
103.03887	1.7
113.02328	11.3
115.03966	1.5
129.01857	1.6
131.03406	4.2
139.00282	1.4
143.03398	3.6
145.02888	1.7
157.01332	1.5
165.05458	1.8
205.07135	3.0
227.03403	3.3
255.02975	5.5
284.03366	8.2
285.03714	2.7
423.33032	1.9
487.34421	3.4
555.36792	3.5
587.50037	1.4
601.37915	1.4
645.36432	9.6
763.43646	1.6
878.79736	1.4
927.34863	2.3
928.34277	1.7
953.46997	3.0
971.48627	100.0
972.49213	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	971.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	1.0
69.03343	1.0
69.80254	3.2
71.01257	18.1
72.11462	0.7
72.99181	3.0
73.02809	1.7
75.00749	21.3
81.43356	0.6
83.01257	2.5
84.43605	0.7
85.02827	21.9
85.99950	1.0
87.00761	4.8
88.74967	0.7
88.80521	0.6
89.02315	6.4
95.00706	0.6
95.01266	3.5
96.95870	1.0
99.00752	13.8
101.02320	6.8
105.34699	0.7
113.01620	1.0
113.02339	13.0
115.00288	1.3
119.03407	1.1
153.97957	0.7
157.01297	1.3
161.04449	1.2
209.90950	0.7
255.03174	0.9
285.69144	1.1
320.12106	0.9
408.11096	0.7
423.32559	2.0
423.73074	0.7
439.32147	1.8
453.33472	1.0
469.33179	1.4
471.34857	15.6
472.34955	1.4
513.35809	1.2
554.95624	0.8
585.37695	4.1
603.39111	1.9
629.36926	1.9
647.38080	26.3
648.38342	3.5
686.08862	0.7
787.85522	0.6
809.44482	1.9
971.48590	100.0
972.48920	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	971.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.8
71.01263	7.9
72.99184	1.7
73.02829	1.0
75.00748	3.1
78.07429	0.4
83.01267	0.8
85.02827	4.3
87.00777	1.1
89.02329	3.1
93.03348	4.1
95.01264	2.1
98.19743	0.9
99.00765	4.1
101.02309	3.0
108.02073	0.5
108.44283	0.4
109.02840	0.7
111.00809	0.6
113.02312	2.4
119.03376	0.8
121.02843	6.6
121.25462	0.4
122.03643	14.4
123.00772	1.0
123.04433	0.6
124.01600	0.6
132.02034	0.6
133.02844	2.4
134.03618	2.2
135.04448	0.8
136.01573	7.4
137.02385	4.0
139.03967	0.6
143.03459	0.5
145.02838	0.7
146.03584	0.9
147.04436	0.5
148.05219	4.7
149.02361	23.7
149.05984	2.1
150.03142	100.0
151.00279	3.2
151.03951	11.2
152.01060	0.5
152.04648	1.0
153.05515	0.5
161.02400	0.5
162.03133	1.3
163.03918	0.7
163.07564	4.5
164.04712	4.8
165.01854	4.3
165.05496	92.1
166.02637	8.4
166.05815	3.9
167.03363	1.3
173.59961	0.5
175.03857	1.0
177.01811	0.8
177.05470	2.0
178.02629	0.8
179.03418	1.6
179.07051	4.2
180.04216	7.9
181.05011	10.1
184.03699	0.9
187.04010	0.9
190.06198	0.7
191.03418	0.5
193.05040	1.1
195.06572	68.3
196.06929	3.1
200.68697	0.5
203.05620	0.4
205.05029	2.3
206.05779	0.7
207.06680	0.6
219.06656	1.0
220.07330	1.8
225.07562	2.9
239.03438	1.0
267.03046	1.0
268.03818	2.7
269.04416	0.5
296.03278	12.4
297.03668	1.0
311.05627	19.6
312.05948	1.5
321.04224	0.9
329.10272	0.7
355.12241	0.6
357.09695	1.2
357.13553	0.7
369.13617	0.6
372.12134	1.3
373.12823	1.5
387.14676	8.9
388.14624	0.8
403.14093	0.9
417.15543	7.3
418.16306	0.5
421.15051	5.5
440.79593	0.5
471.35318	0.8
478.79996	0.5
565.20770	13.5
566.21118	1.8
583.22406	0.6
585.38635	0.6
595.22052	2.4
613.22858	9.8
614.23370	1.7
629.36938	0.6
636.98297	0.5
667.24048	1.3
713.25958	2.9
743.26947	2.0
761.28101	7.4
762.29352	1.2
773.28088	0.9
791.29535	2.6
792.30133	0.9
809.30255	12.8
809.43658	5.5
810.30463	2.8
877.19305	0.5
970.47473	1.4
971.48578	23.4
972.49347	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	971.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47140	4.5
71.01255	7.0
72.99193	1.6
73.02813	2.0
75.00750	9.1
78.34026	0.6
83.01258	0.9
85.02825	8.3
87.00763	1.8
89.02304	1.9
93.03323	4.5
95.01272	1.4
98.19862	1.4
99.00744	2.4
99.01377	0.6
101.02322	3.0
105.83689	0.6
109.02851	1.2
111.00757	0.7
113.02351	4.7
119.03448	0.9
121.02863	5.2
121.44581	0.6
122.03629	16.1
123.00790	1.5
123.04449	1.2
125.02335	1.1
131.03415	0.6
133.02844	1.6
134.03622	3.0
134.43520	0.7
135.04468	1.0
136.01556	11.2
137.02332	6.6
146.03607	1.3
147.04387	0.9
149.02354	23.8
149.06009	1.7
150.03136	100.0
151.00281	4.0
151.03932	13.1
152.01076	0.6
152.04506	0.8
162.03131	1.6
162.63065	0.7
163.03969	1.3
164.04704	4.9
165.01845	7.2
165.05492	89.7
166.02646	11.6
166.05829	3.8
167.03375	1.5
175.03972	1.0
177.01874	1.4
177.05507	1.6
179.03435	1.8
179.07109	3.3
180.04207	10.7
181.04993	11.5
187.03951	0.9
190.06329	1.0
192.04283	1.2
193.04976	2.3
195.06564	70.3
196.06940	2.0
199.02147	0.7
205.05038	1.7
207.06664	1.1
210.05336	1.1
219.06575	0.7
220.07364	1.6
222.73495	0.6
225.07652	4.7
284.03326	1.4
296.03339	0.6
343.11893	0.8
357.09634	1.4
357.13565	1.7
372.12064	1.3
373.12891	5.0
379.38052	0.6
387.10120	1.1
387.14523	12.1
388.14984	1.1
401.12277	0.7
402.13138	1.2
403.13751	1.2
417.15616	7.1
421.15027	6.0
423.32590	0.8
453.34247	0.8
471.34842	7.9
472.35019	0.7
513.35760	0.8
565.20758	13.1
566.21356	1.7
581.19922	0.7
585.38416	1.5
595.21832	2.6
613.22974	10.5
614.23401	1.4
647.38110	15.5
648.38458	1.0
667.23730	1.3
713.26550	2.8
743.27527	1.5
761.28351	6.7
762.28619	1.3
773.28174	0.8
791.29285	2.0
792.29913	1.2
809.30426	10.5
809.43927	0.9
810.30896	2.1
970.48108	2.0
971.48566	48.0
972.48315	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	969.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.6
69.03335	0.8
71.01258	28.9
71.05743	1.6
71.06096	1.0
72.99194	3.7
73.02829	6.6
75.00751	14.1
81.31331	0.7
83.01280	2.4
84.99868	0.7
85.02827	20.7
85.99980	2.1
87.00752	11.4
87.01263	0.8
87.04385	3.8
89.02322	5.2
94.71258	0.7
95.01266	2.7
96.95909	3.8
97.02849	1.0
99.00756	12.6
101.02314	5.6
103.03876	1.7
113.02326	11.3
115.03912	3.4
131.03403	9.7
143.03416	6.2
145.04977	0.9
154.36086	0.7
162.65399	0.9
163.06029	0.9
205.07166	3.8
245.56874	0.7
428.04443	0.8
513.39520	2.5
583.44141	0.8
895.51038	2.3
951.53412	2.5
969.54413	100.0
970.54712	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	971.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38001	3.9
71.01257	2.3
79.38242	0.4
85.02824	0.8
87.00811	0.5
89.02328	1.9
93.03333	5.2
95.01307	1.0
95.04934	0.6
98.20486	1.0
99.00748	0.6
100.77084	0.4
101.02338	0.6
108.02067	1.5
109.02828	2.2
113.02338	0.7
119.03342	0.8
121.02844	7.6
122.03632	15.0
123.00759	0.8
123.04428	2.2
124.01584	0.9
132.02118	1.0
133.02859	2.1
134.03639	3.7
135.04445	0.9
136.01558	10.5
137.02357	7.4
139.03889	0.5
145.02849	0.8
146.03677	2.3
147.04390	1.3
148.01620	0.5
149.02348	34.4
149.05984	4.1
150.03133	100.0
151.00261	3.6
151.03925	18.1
152.00989	0.8
152.04645	0.8
153.01837	0.7
159.04463	0.6
161.02345	1.2
161.06000	0.8
162.03137	1.6
163.03880	0.7
164.04695	6.9
165.01852	4.4
165.05484	87.6
166.02634	10.6
166.05795	3.3
167.03354	1.8
175.03925	1.7
176.04628	0.6
177.01851	0.8
177.05525	2.7
178.02684	0.6
179.03452	2.4
179.05482	0.5
179.07047	7.9
180.04201	7.6
181.04988	14.7
184.03708	0.8
187.03946	1.2
191.03365	0.7
192.04257	0.8
193.05016	1.8
195.06557	44.6
196.06920	1.5
202.06151	0.5
203.03461	0.4
205.04950	4.2
207.06618	1.2
210.05289	0.6
219.06587	1.8
220.07372	2.8
221.07932	0.7
225.07605	2.0
240.08325	0.5
255.02834	0.6
284.03137	0.6
285.04105	0.6
297.07632	0.5
314.07620	0.6
315.08688	1.1
329.10278	1.6
339.08563	1.1
341.10068	0.6
342.10934	0.5
343.11792	0.7
357.09628	1.0
357.13461	1.0
369.13412	2.2
372.11917	1.2
373.12955	4.8
387.14584	7.3
388.11270	0.6
402.13321	0.9
403.13724	1.7
416.14581	0.8
417.15488	7.5
418.15717	0.9
421.14978	3.6
535.15564	2.2
550.18329	1.5
551.19189	0.7
564.20013	2.6
565.20776	21.8
566.21039	3.4
583.20483	0.7
595.21942	2.6
595.30511	0.6
596.21588	0.7
612.21619	1.0
613.22839	9.4
614.22845	1.5
619.21490	1.6
667.23358	1.3
713.25983	14.1
714.26257	2.4
725.25287	0.7
743.27136	7.4
744.27307	1.5
761.28125	14.7
762.28583	3.0
773.27832	2.1
791.29376	3.9
792.28546	0.9
809.30316	15.5
810.30768	3.0
971.47394	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	969.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	2.4
69.03329	1.6
69.99461	2.9
71.01257	28.4
71.52019	0.5
72.99172	4.4
73.02814	5.8
75.00749	5.9
83.01278	3.5
83.54188	0.5
85.02347	1.0
85.02831	16.0
85.99971	1.2
87.00744	7.5
87.04382	2.5
89.02318	6.0
89.91711	0.5
95.01286	3.1
96.95885	1.2
97.02817	1.5
98.20442	0.7
99.00760	16.3
101.02321	7.1
103.03887	2.3
111.00758	0.9
112.01574	0.9
113.01613	0.9
113.02334	9.9
115.00218	0.9
115.03876	1.8
119.03370	1.1
125.02392	0.7
131.03412	4.3
143.03416	4.7
145.04930	0.8
150.03117	1.1
151.00333	0.5
151.03917	1.1
157.01306	1.0
160.01563	1.8
161.02303	0.7
161.04510	0.6
163.06000	1.1
165.01836	1.1
165.05479	1.5
175.03917	1.7
176.06354	0.5
179.03372	1.2
180.04147	0.7
194.05754	1.0
195.06494	2.0
205.07085	2.1
209.08153	0.6
227.03278	1.1
255.02905	1.1
271.62473	0.6
282.45886	0.6
284.03241	1.3
337.09402	2.7
337.69897	0.5
340.23215	0.6
421.31146	0.7
423.32846	2.7
439.31995	1.6
441.33810	1.6
485.32941	1.4
491.35538	0.9
519.59216	0.6
537.35504	0.9
553.35553	2.9
555.36792	1.7
581.34845	1.5
599.36224	3.5
625.34174	0.6
643.34741	4.2
644.35077	0.7
907.46942	1.8
951.46088	3.3
969.47015	100.0
970.47345	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	969.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	0.5
68.99680	1.7
69.03313	0.5
70.35486	1.3
70.35874	0.7
71.01254	20.8
72.99174	3.9
73.02821	1.6
75.00748	10.4
83.01260	2.4
84.02058	0.5
85.02825	7.8
85.63384	0.4
87.00291	0.5
87.00740	2.7
89.02319	8.7
92.84834	0.4
95.01254	5.0
96.95844	0.8
97.02871	0.4
98.19854	0.5
99.00757	17.8
101.02319	9.2
101.02988	0.5
102.02673	0.5
108.84669	0.4
109.99937	0.4
111.00746	0.5
112.01533	0.7
113.02335	8.5
115.00267	0.9
119.03391	1.7
129.01903	0.5
131.03387	0.9
133.01343	0.5
139.00261	0.9
143.03357	0.8
150.03122	0.9
157.01280	1.0
161.04491	0.8
193.70268	0.5
205.81430	0.4
215.87952	0.4
222.01524	0.4
264.69986	0.4
295.53000	0.5
337.07666	0.5
367.74664	0.5
405.31705	0.7
423.32581	1.6
451.31467	0.6
469.33286	7.8
495.34729	0.6
511.34189	1.3
514.85236	0.5
537.35846	1.5
565.35217	1.0
583.36456	6.1
584.36963	0.6
601.37494	1.8
627.35400	3.1
745.41620	1.5
763.42505	0.5
807.41711	11.2
808.42291	1.5
969.47021	100.0
970.47260	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	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.1
69.86668	0.8
69.86967	2.9
71.01255	21.9
72.99172	1.9
73.02826	3.8
75.00744	0.6
77.09747	0.5
81.03352	0.9
83.01250	2.6
83.04906	0.7
83.41520	0.5
85.02825	5.4
87.00752	5.6
89.02320	18.1
91.15224	0.4
95.01267	2.1
97.02826	4.2
97.06470	1.3
98.20446	0.7
99.00766	1.3
99.04379	0.7
100.71701	0.4
101.02325	15.7
103.03822	0.7
109.02866	0.6
111.04424	0.9
111.08053	5.1
113.02326	9.4
119.03387	4.7
119.08545	1.3
125.02337	6.5
125.09620	0.6
127.07491	0.5
131.03377	1.1
137.09610	2.0
139.03926	1.0
141.01796	0.7
143.03441	3.5
161.04462	4.9
163.11255	0.8
165.12793	1.7
167.10722	0.5
169.04933	0.5
169.12256	2.8
171.10199	9.1
179.05531	5.3
181.12257	0.9
183.13905	0.7
185.11794	1.6
195.13963	0.9
197.11768	24.1
198.12097	0.9
199.05988	0.5
199.13358	1.3
199.73335	0.5
207.13815	1.2
209.15431	4.6
211.13350	4.8
217.07060	0.6
221.06612	2.3
221.15475	1.3
223.17046	3.0
225.14948	2.9
227.12796	1.1
229.19641	1.2
233.15422	1.7
235.08206	7.2
247.20663	1.4
249.14957	1.5
251.16502	5.5
253.09186	1.4
263.07571	0.6
263.20090	1.1
265.18091	1.3
273.18729	3.4
277.21722	59.5
278.22064	3.1
287.07803	2.2
291.19669	30.3
292.19952	1.8
305.08728	2.7
309.20712	100.0
310.21002	6.4
323.09912	1.3
333.20804	1.0
357.13998	0.6
379.12549	5.2
397.13495	49.7
398.13901	2.0
415.14600	17.2
416.15479	0.6
675.36035	1.1
689.33911	1.4
707.34882	1.1
806.08789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99698	0.3
69.03326	1.4
71.01255	24.0
71.34892	0.5
72.99169	2.2
73.02821	3.9
75.00755	0.6
81.03342	1.2
83.01268	3.3
83.04929	0.4
83.55842	0.3
85.02822	5.8
87.00758	5.3
89.02320	22.3
90.02687	0.3
91.03912	0.6
93.03355	0.5
94.42830	0.2
95.01267	1.7
96.95891	0.9
97.02834	4.1
99.00721	1.6
99.04362	0.3
101.02324	21.0
109.02825	0.4
111.00739	0.6
111.04372	1.1
113.02334	10.3
115.03912	0.7
119.03385	6.3
121.02849	0.6
123.00732	0.4
124.01582	0.4
125.02341	9.4
127.03883	0.3
131.03394	1.3
133.04950	1.0
139.03877	1.0
141.01837	0.6
143.03423	4.3
148.08861	0.5
149.04478	0.6
150.10414	0.4
151.03870	0.3
157.04951	0.4
161.04480	5.9
163.11163	0.6
165.12773	10.6
166.13042	0.4
167.03381	0.5
169.04965	0.6
175.11224	0.4
176.11859	0.3
177.12669	0.3
179.05550	5.4
199.06137	0.3
209.11768	0.3
217.07071	0.7
219.05048	0.3
221.06612	1.5
235.08195	10.8
245.06703	0.8
247.20650	5.7
247.23157	0.5
248.21002	0.5
253.09267	3.4
263.07611	1.0
273.18585	2.9
277.09351	0.7
277.21722	61.2
278.22067	3.5
287.07663	3.5
291.19666	33.9
292.19962	2.0
305.08762	4.3
323.09851	1.5
361.11197	0.4
379.12463	0.6
380.12460	0.4
397.13495	100.0
398.13809	4.3
415.14569	34.3
416.14691	1.2
675.36066	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	967.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	0.7
68.62780	0.4
68.99693	2.4
69.03316	0.9
70.63804	1.6
71.01252	28.3
72.99176	3.5
73.02821	6.5
75.00743	10.3
78.95752	0.5
83.01253	4.7
85.02821	15.3
85.99973	2.4
87.00749	7.8
87.04385	2.3
89.02314	7.1
95.01261	3.9
96.95909	1.2
97.02830	0.9
99.00758	10.8
101.02322	11.5
103.03909	2.7
113.02338	9.5
115.00246	0.7
115.03898	2.4
116.92749	0.7
119.03374	1.8
131.03424	4.7
143.03426	5.0
145.04933	1.1
157.01404	0.6
160.92664	0.4
161.04459	1.1
163.05988	2.7
171.10182	1.0
205.07074	4.0
212.61795	0.4
247.08272	0.8
249.21724	0.5
329.23236	0.5
331.53027	0.5
352.26178	0.5
481.36887	3.2
482.36911	0.7
551.41211	2.2
641.40320	1.3
751.46631	0.6
759.47241	0.5
905.52423	0.6
949.51373	2.9
967.52698	100.0
968.52954	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	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.6
70.49980	0.1
71.01256	8.1
71.57112	0.1
71.57554	0.2
72.16419	0.2
72.99184	0.6
73.02819	1.1
78.95778	0.4
81.03336	0.3
83.01259	0.9
83.04883	0.3
85.02821	1.9
87.00742	2.1
89.02319	6.8
93.03337	0.2
95.01256	0.6
95.04901	0.4
96.95902	0.3
97.02832	1.1
97.64075	0.1
99.00768	0.6
101.02323	5.7
109.02830	0.2
111.00797	0.2
111.04408	0.2
111.08054	0.4
113.02331	3.3
113.09613	0.2
116.92740	0.3
119.03400	1.6
121.02818	0.2
121.10123	0.5
124.01495	0.2
124.57515	0.2
125.02345	2.5
131.03403	0.3
132.21898	0.2
137.02286	0.2
141.01833	0.2
143.03458	1.0
145.04877	0.2
149.04492	0.2
161.04463	1.4
167.10641	0.4
169.94960	0.1
171.10213	1.6
177.12791	0.4
179.05559	1.8
179.14323	0.8
181.12151	0.2
184.67657	0.1
195.13843	7.8
196.14397	0.6
205.12231	0.7
205.15891	0.5
209.11642	0.3
211.13290	0.5
221.06631	0.8
223.13348	5.3
224.13875	0.4
225.14894	0.3
228.13557	0.8
231.21118	0.5
235.08173	2.1
245.06430	0.2
249.11063	1.4
249.21986	0.2
253.09244	0.4
255.23347	0.6
256.13190	1.1
256.23221	0.2
263.07800	0.2
265.21780	0.5
267.12158	0.2
275.20160	6.0
276.20425	0.4
277.21704	0.2
287.07703	0.4
291.19586	0.2
293.21222	100.0
294.21548	5.3
305.08847	0.5
317.21204	0.4
323.09808	0.6
379.12329	0.8
397.13492	17.0
398.13794	0.8
415.14569	8.9
416.15131	0.3
483.26968	0.4
559.70679	0.2
569.42102	1.4
570.41785	0.2
629.24432	0.3
654.27490	0.3
673.34161	0.7
691.35608	1.8
692.36005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.4
70.75130	2.3
70.75519	2.7
71.01247	10.2
73.02811	1.6
80.91551	1.1
83.01254	1.9
84.94975	1.1
85.02831	3.2
85.05371	1.0
87.00751	3.7
89.02313	7.6
96.95884	4.4
97.02822	1.6
101.02332	6.2
113.02348	3.7
116.92731	1.4
125.02344	3.2
132.37172	1.1
161.04472	2.4
164.35295	1.1
171.10191	3.9
178.80463	1.3
179.05591	1.9
181.12274	3.3
183.13806	11.1
195.13814	2.6
203.10558	2.7
205.11900	1.4
219.09892	1.9
221.11613	1.6
223.13106	21.5
224.13405	1.6
235.09550	2.6
235.17081	1.5
237.10971	6.2
247.62822	1.4
249.11046	100.0
250.11359	2.7
255.23250	3.2
263.12708	3.6
265.10461	3.0
267.12122	24.2
268.12625	1.3
270.79578	1.3
275.20221	7.9
277.21698	6.3
291.12177	3.2
291.19586	2.0
293.21222	61.1
294.21674	1.5
309.20779	5.2
375.95154	1.3
397.13547	15.1
415.14520	6.5
453.17169	1.3
463.89767	1.1
483.27350	1.5
607.26398	4.5
629.24310	13.7
630.23077	1.5
647.25238	11.0
648.25061	1.6
667.32501	1.2
802.17639	1.7
885.48358	1.8
974.39569	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	965.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	1.9
71.00891	3.1
71.01253	40.4
71.04878	2.5
72.99178	4.2
73.02814	6.1
81.03344	2.1
83.01262	6.5
83.04891	5.1
85.02823	13.2
87.00752	8.6
89.02316	30.8
93.03332	5.6
95.01251	3.0
96.95876	3.5
97.02859	4.2
97.06445	3.5
99.00726	2.4
101.02317	25.7
111.08052	2.5
113.02325	14.8
117.06995	4.2
119.03378	9.8
119.08558	9.9
121.02813	4.4
123.08066	2.6
125.01431	1.5
125.02317	9.1
125.09595	7.3
131.03387	2.7
133.06491	2.7
135.08031	15.5
137.09645	1.9
138.06804	3.4
141.01596	10.1
143.03378	6.9
149.09666	1.7
159.93677	1.6
161.04457	7.5
171.10176	39.8
179.05542	10.9
185.11787	2.1
205.15877	4.8
209.11777	3.6
211.13312	5.9
221.06636	3.4
221.15370	1.9
231.13834	3.9
233.15466	13.8
235.08232	9.7
245.19205	2.5
249.14891	18.6
253.09233	3.9
259.20517	2.2
271.16983	4.8
277.21716	100.0
278.22055	6.3
279.19586	4.1
287.07690	2.0
289.18109	59.8
291.19724	3.1
305.08649	2.8
307.19110	74.7
308.19531	6.0
327.21844	2.1
379.12540	8.2
397.13474	77.9
398.13736	3.3
415.14496	20.5
508.29169	2.3
617.62585	2.2
669.31445	5.3
675.36218	2.6
687.32660	11.3
705.32782	3.9
877.51367	1.9
947.53955	14.6
948.52710	1.9
965.53693	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	967.249
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01293	0.8
87.99103	0.7
100.95334	0.7
107.01292	1.2
110.05297	0.7
117.10669	0.8
117.80831	0.9
132.47682	0.8
151.00287	3.7
152.00989	0.8
178.99724	1.1
199.03915	2.1
216.71646	0.8
223.58850	0.7
227.03516	2.1
229.90085	1.1
242.02148	5.4
243.02950	12.6
244.03494	0.9
245.00879	1.8
255.03011	6.2
256.03271	0.9
257.04517	2.7
270.01697	9.8
270.99725	1.6
271.02490	19.1
272.03036	1.7
285.04041	7.4
286.04865	1.1
298.01328	2.7
299.01990	37.8
300.02686	10.0
313.03564	25.4
314.04318	51.6
315.05023	24.0
316.05460	1.6
356.05197	0.9
476.09811	1.9
476.50342	0.9
769.21979	100.0
770.22229	19.0
1002.32635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	79.6
71.58166	12.6
72.99181	99.0
73.02819	20.6
75.00745	13.8
80.08751	6.8
83.01260	11.4
84.02049	7.1
85.02837	73.6
87.00729	9.4
88.18591	8.3
89.02319	20.3
95.01254	16.3
96.95885	17.7
99.00738	10.1
99.04392	22.1
99.47759	6.9
101.02332	29.7
103.00227	20.9
113.02334	100.0
115.00271	8.0
125.02357	10.8
131.03423	12.0
143.91791	7.0
158.74539	8.4
175.02405	15.3
193.03493	65.2
209.11758	8.5
485.32724	25.8
496.71649	9.2
661.35651	61.3
704.25092	9.0
804.92792	17.3
823.41101	73.4
824.42108	14.1
835.18512	8.6
865.42029	58.6
905.45526	23.3
967.45428	92.8
968.45575	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	963.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86195	0.3
71.01250	0.4
71.45378	0.4
71.45693	0.3
71.59064	0.2
75.00729	0.3
81.03334	7.5
83.04901	18.0
85.02818	0.5
99.79308	0.3
100.07558	0.7
107.06041	0.5
108.04408	0.6
125.07087	1.0
126.05496	0.6
127.29441	0.3
134.03647	0.5
143.08138	0.6
151.00273	0.5
195.16861	0.3
197.88332	0.3
207.15004	1.1
211.04005	0.3
220.41090	0.3
223.74266	0.3
224.17691	3.1
225.16046	10.7
227.03459	2.6
242.18741	0.6
255.00317	0.4
255.02979	5.6
256.03491	0.8
267.07135	0.4
284.03262	6.8
285.03870	1.9
291.20596	0.4
309.21899	0.8
324.26782	0.4
333.22913	0.7
341.29196	0.9
367.27048	0.9
370.62311	0.3
385.28070	0.3
392.00873	0.3
407.52765	0.3
433.31796	1.6
438.11978	0.3
450.34418	0.9
451.32898	8.5
452.33478	0.5
550.43323	0.8
565.43604	0.3
567.45837	0.8
676.51196	0.6
677.49542	1.8
735.05548	0.3
776.60333	0.6
825.31134	0.3
885.66010	0.5
903.66534	100.0
904.66821	18.6
904.85132	0.7
963.31921	2.3
964.32263	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	965.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
69.36679	0.8
69.37073	3.4
71.01255	17.1
72.99167	1.6
73.02814	2.4
75.00719	0.6
78.95773	3.6
81.03317	0.7
83.01249	1.6
83.04910	0.9
85.02831	4.6
85.37913	0.4
87.00748	4.0
89.02323	14.0
90.33132	0.4
95.01277	1.2
95.04905	0.6
97.02837	2.2
97.06513	0.4
99.00760	1.1
101.02323	12.0
101.02991	0.6
105.01851	0.5
109.06499	1.0
111.08050	8.0
112.08301	0.4
113.02328	6.5
117.62055	0.5
119.03406	3.6
121.10126	0.5
123.00800	0.5
125.02344	4.6
131.03413	0.9
135.08035	0.4
137.09628	0.6
141.01704	0.6
141.09160	0.5
143.03423	2.0
145.04915	0.4
149.09615	1.0
152.99486	4.7
161.04440	2.6
167.03499	0.4
167.10701	2.0
171.00560	0.6
171.10179	0.7
177.12842	2.0
179.05571	4.1
179.10684	1.8
179.14316	0.9
185.04337	0.4
195.13846	11.9
196.14330	0.4
199.38373	0.4
205.12213	0.9
211.13480	0.5
217.07233	0.4
221.06613	1.5
223.13356	5.7
228.13583	0.8
235.08246	3.4
245.04341	2.1
245.06509	0.5
247.20628	1.7
253.09270	1.0
253.21657	1.1
255.23286	8.6
256.13080	0.9
256.23337	0.4
263.07571	0.7
265.21707	0.6
273.18430	1.0
275.20120	5.0
277.21735	1.0
287.07547	0.6
289.18054	1.1
291.19666	85.9
292.20056	6.0
293.21228	100.0
294.21555	7.0
305.08859	1.4
323.09784	1.2
336.63992	0.4
341.10883	0.5
379.12534	2.5
397.13477	33.2
398.13879	1.5
415.14590	12.8
416.14960	1.0
474.81387	0.5
481.25687	7.8
482.25974	0.9
483.27246	6.8
484.27664	0.7
654.28021	0.5
671.32611	2.6
673.34454	1.1
689.33997	5.2
690.34332	0.5
691.35748	1.7
965.53815	0.6
968.40027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58225	0.7
73.02826	0.7
83.01281	1.2
85.02824	0.9
85.76072	0.5
87.00776	0.5
89.02307	0.7
93.03340	1.0
95.01252	0.6
101.02320	0.7
112.76033	0.4
113.02330	0.5
123.04463	0.5
123.37740	0.4
125.02361	0.9
132.02071	1.2
135.00792	0.9
149.02286	0.6
150.03177	0.7
151.00275	5.6
152.01048	0.7
159.04404	1.0
160.01556	0.4
160.03598	0.4
163.00287	1.5
164.01047	0.6
165.98907	0.5
166.02469	0.4
169.01358	1.3
178.99733	1.6
183.04460	0.8
185.02304	0.9
185.05997	0.7
187.03911	1.1
199.03920	1.3
211.03918	2.1
212.04773	0.5
213.05531	1.2
215.03465	0.6
227.03453	42.4
228.03891	2.5
229.05090	2.4
239.03407	1.4
240.04245	0.5
241.05190	0.7
241.10680	0.5
243.02901	0.7
255.02974	84.7
256.03616	9.4
257.04468	2.6
271.02631	0.9
283.02408	3.2
284.03265	100.0
285.03983	27.7
286.04395	1.3
299.01950	1.9
300.02695	0.8
301.03452	0.6
314.04456	0.9
327.05063	0.8
330.03970	0.5
393.06271	0.9
574.03949	0.5
677.26672	0.6
739.20660	3.5
821.25397	0.7
901.31567	2.5
903.29388	4.9
904.29767	0.9
945.30280	1.5
963.31360	37.8
964.31702	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	963.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27539	0.8
69.03321	1.3
71.01254	17.4
72.99194	1.9
73.02824	3.4
75.00764	1.0
79.87430	0.8
81.03307	1.0
82.25298	0.8
83.01234	2.0
83.04908	1.3
85.02824	10.9
87.00735	4.0
89.02319	17.2
95.01284	1.7
97.02856	3.8
97.06479	1.4
99.00771	1.2
101.02327	15.2
109.36967	0.8
113.02347	6.6
119.03391	4.5
125.02333	5.3
125.09648	2.2
127.11213	1.3
131.00272	0.9
131.03311	0.9
137.09601	2.1
143.03386	2.2
155.10693	0.9
161.04462	2.6
171.10175	26.7
175.11491	0.9
179.05528	3.1
183.13815	3.0
199.29295	0.9
201.11227	1.8
209.11742	1.4
211.13364	10.9
221.06544	1.3
221.11787	1.7
229.14389	7.4
233.17044	1.0
235.08182	4.6
239.12947	1.4
255.23267	38.9
256.23611	3.0
287.07822	0.9
287.16599	0.9
291.19702	2.5
303.35791	0.9
305.08633	1.1
309.20673	8.2
323.09863	1.1
326.92249	1.0
327.21762	100.0
328.22107	6.3
379.91962	0.9
379.97668	0.9
380.64496	0.9
397.13489	57.0
398.14166	1.8
415.14597	16.5
542.99908	0.9
565.44940	1.4
653.37598	6.0
654.38367	1.1
707.34894	7.4
725.35693	2.7
773.07208	1.0
963.59241	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	963.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47255	4.2
83.01255	1.0
85.02834	0.5
87.00729	0.5
93.03328	0.5
98.19761	0.6
119.15846	0.5
119.24628	0.4
125.02364	0.8
129.61928	0.4
132.02054	1.1
135.00764	1.5
151.00282	4.5
157.60542	0.5
163.00301	1.9
164.01085	0.9
169.01385	0.9
171.04494	0.6
178.99831	1.2
183.04410	1.3
185.05937	0.8
187.03815	1.0
195.04379	0.6
197.11594	0.6
199.03877	0.5
200.04622	0.6
204.68698	0.5
211.03880	2.6
212.04733	0.8
213.05554	0.5
223.03760	0.4
227.03453	46.0
228.03801	2.5
229.05005	2.8
239.03477	1.7
241.04929	0.5
255.02965	86.7
256.03561	9.1
257.04547	2.4
283.02469	2.4
284.03259	100.0
285.03949	25.0
286.04388	1.3
327.05087	0.8
339.04819	0.6
372.46155	0.5
390.28857	0.6
422.99393	0.5
439.21249	0.4
557.54083	0.5
739.20978	6.2
821.24811	1.5
901.31329	3.8
902.31860	0.6
903.29333	5.2
904.30060	1.0
945.29315	2.2
963.31354	47.6
964.31702	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	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.3
71.01257	14.8
71.57159	0.4
72.99181	1.2
73.02817	2.1
75.00755	0.5
76.27872	0.4
77.80020	0.4
81.03307	0.6
83.01257	1.6
83.04891	0.5
85.02826	4.2
87.00764	3.5
89.02323	11.9
95.01266	0.9
97.02835	2.3
99.00741	1.4
101.01695	0.8
101.02329	11.1
102.48544	0.4
103.03859	0.4
111.04417	0.6
113.02330	7.8
119.03400	3.6
120.14540	0.3
125.02344	5.4
127.04026	0.4
131.03366	0.5
133.04915	0.4
140.03941	0.4
141.01602	2.5
143.03386	2.2
145.02983	0.4
155.10645	0.5
161.04456	3.7
167.14297	0.8
174.01613	1.1
179.05527	3.8
179.10603	0.4
183.13828	5.8
193.12309	2.1
211.13341	100.0
212.13722	3.7
217.07152	0.7
221.06667	1.0
222.36008	0.4
235.08180	4.3
245.06662	0.5
253.09378	0.6
253.14305	0.7
255.23219	0.9
259.08270	0.8
265.14926	0.4
277.21719	49.9
278.21988	2.9
287.07776	1.0
289.18054	0.7
305.08728	1.6
307.19086	1.0
323.09799	1.3
379.12436	10.4
380.12631	0.7
397.13492	38.6
398.13754	2.0
415.14569	8.4
591.26575	8.4
592.27185	0.9
596.19073	0.5
609.27643	8.8
610.27887	0.6
657.14001	0.5
657.34906	1.6
675.35736	3.1
802.76080	0.5
869.49445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.6
70.32051	1.1
70.32446	1.1
71.01254	17.5
72.99178	1.5
73.02108	0.5
73.02822	2.3
75.00777	0.4
78.95763	0.5
81.03329	0.8
83.01274	2.2
85.02818	3.3
87.00743	3.9
89.02321	14.1
95.01251	1.6
97.02808	2.7
98.20368	0.7
99.00749	0.7
101.02322	12.8
113.02336	6.1
119.03390	4.0
121.15416	0.6
124.19250	0.5
125.02347	5.2
131.03387	0.8
133.04904	0.5
137.05936	0.5
139.03929	0.6
143.03416	1.9
156.22699	0.5
161.04498	3.9
167.03453	0.5
167.14320	0.8
171.10164	0.4
174.01660	1.1
179.05501	3.6
183.13840	7.0
193.12251	2.0
211.13344	100.0
212.13770	2.7
217.07082	1.4
221.06624	1.3
235.08224	5.4
253.09239	1.4
255.23257	1.5
259.08115	0.6
277.21722	57.2
278.22122	3.0
287.07751	2.4
289.18057	0.9
305.08755	1.7
307.18948	0.6
313.11713	0.5
323.09854	1.4
379.12479	11.0
380.12946	0.7
397.13504	44.4
398.13922	2.0
415.14551	8.6
416.14859	0.5
591.26636	6.3
592.27509	0.6
609.27679	3.9
610.28625	0.7
657.35516	2.3
675.35925	3.9
676.36121	0.7
869.48608	1.1
922.73059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.0
71.01265	18.9
71.58914	1.8
72.99178	2.7
73.02830	5.1
75.00753	9.7
83.01247	1.1
85.02821	16.0
85.99956	1.0
86.03140	1.0
87.00758	7.8
87.04396	2.9
89.02325	2.3
93.03310	1.1
95.01266	3.6
96.95882	3.0
99.00771	12.3
101.02337	3.5
103.03880	1.6
109.02856	1.2
113.02323	9.8
115.00285	1.0
115.03876	1.8
117.03324	2.2
119.04931	3.5
120.07913	0.9
121.02841	1.7
124.90626	1.2
125.02386	1.5
131.03432	5.0
134.03706	1.2
136.01588	7.1
137.02332	1.6
143.03432	4.1
145.02870	11.0
150.06729	2.9
151.03915	3.6
157.01268	1.1
161.05919	1.6
163.03874	2.3
163.06058	1.3
163.07529	1.6
173.06021	1.3
175.03918	2.9
179.10686	2.2
189.05457	1.7
190.06226	3.0
205.07016	1.9
255.03012	1.7
272.90079	1.1
276.01065	1.0
295.41537	1.0
449.27408	1.8
469.33002	2.0
471.34903	3.6
539.37537	1.9
553.35547	1.5
585.38251	5.4
629.36993	8.3
637.32208	4.6
653.24255	1.5
669.41974	1.9
683.24860	6.7
684.24768	1.5
713.26135	25.4
714.26178	6.4
717.42902	1.6
799.37268	1.8
917.40564	2.4
925.48041	100.0
926.48511	19.3
961.46924	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	958.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.0
69.03326	0.5
70.10013	2.7
70.98764	0.6
71.01256	18.9
72.99167	1.6
73.02821	3.8
75.00746	8.2
76.13920	0.5
83.01225	1.6
85.02821	12.7
85.99938	1.6
87.00755	5.9
87.04388	1.5
89.02309	2.8
95.01260	1.4
96.95892	1.7
98.20663	0.6
99.00752	7.4
101.02329	4.1
103.03914	0.9
111.00743	0.6
113.02331	7.0
114.31108	0.5
115.03888	2.4
119.03362	1.1
124.96301	0.6
131.03400	6.5
135.30972	0.5
141.65601	0.6
143.03435	4.8
143.28654	0.5
145.04958	0.8
157.01309	0.9
171.72977	0.5
205.07066	2.3
275.69330	0.5
439.35706	1.7
509.39542	1.0
803.29822	0.7
895.50574	100.0
896.50879	16.5
896.67596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85526	0.5
71.01260	1.0
71.05728	1.0
72.99199	0.6
76.23314	0.4
78.95776	5.0
79.04541	0.4
80.96381	0.8
86.17622	0.4
96.95862	0.7
110.98417	4.2
122.07426	0.4
152.99564	0.5
163.12553	0.4
167.01013	1.4
179.80374	0.4
185.02144	4.3
207.03809	0.4
233.22688	0.9
236.97467	0.5
265.10425	0.5
275.20227	0.5
277.21725	100.0
278.22083	5.8
357.69629	0.5
397.13525	0.6
398.14096	0.5
408.77667	0.5
445.23611	37.0
446.24081	1.8
536.82568	0.5
639.35431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52805	0.6
68.99684	2.0
69.03307	1.5
71.01257	33.1
71.57932	0.9
72.99190	5.1
73.02818	7.9
74.02319	0.6
75.00751	14.5
82.12353	0.7
83.01248	4.4
83.04913	1.9
84.02015	0.9
84.71346	0.6
85.02826	20.7
85.99972	2.4
87.00758	9.4
87.04388	3.9
89.02321	10.0
95.01266	4.8
96.95872	1.5
97.02812	1.4
99.00768	13.5
99.04394	1.3
101.01697	1.3
101.02329	14.9
102.24291	0.6
103.03897	3.0
108.77753	0.6
111.00723	0.7
112.01563	0.7
113.02338	12.9
115.03893	2.4
119.03412	3.1
125.02330	0.8
129.01817	0.6
131.03394	6.6
134.03609	0.9
139.00139	1.0
143.03401	5.8
145.04961	0.9
149.02292	1.0
150.03099	2.9
151.03664	0.6
157.01305	1.2
160.01404	0.8
161.04462	2.1
163.06007	2.9
165.05489	1.5
175.03865	1.0
195.06508	1.1
205.07149	4.4
220.33240	0.6
247.08026	0.7
255.06635	1.4
271.09738	1.2
376.58063	0.6
402.88580	0.6
415.15350	0.7
471.34787	2.3
509.36212	0.8
541.38678	2.3
631.38318	1.0
665.35370	0.8
890.84607	0.8
939.49500	2.0
957.50647	100.0
958.51160	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	957.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50460	4.2
69.50871	10.4
71.01255	29.2
72.99186	5.3
73.02821	7.4
75.00744	8.2
77.45848	1.8
83.01283	3.0
85.02834	22.2
87.00746	10.5
89.02322	5.8
89.31826	1.7
95.01256	3.7
95.46770	1.6
96.95898	5.1
98.19841	3.4
99.00751	14.5
101.02323	10.2
101.90426	1.7
113.02321	14.8
115.03864	2.6
115.21512	2.1
131.03400	4.5
134.03717	2.1
136.01564	1.7
143.03435	5.5
149.02321	2.8
150.03102	5.7
151.03813	2.0
160.01566	6.3
165.05510	3.6
175.03923	5.8
195.06578	2.0
205.07112	3.0
219.59271	2.0
224.34225	1.9
241.04947	3.4
243.17938	1.8
255.06590	4.9
267.07236	3.5
270.08963	3.2
271.09753	2.5
284.03290	2.8
301.10751	3.7
327.08997	2.2
329.10269	3.0
337.09219	6.2
342.11121	2.8
344.22787	2.3
350.75204	2.0
357.13748	2.3
368.90497	1.9
471.34830	2.4
473.37030	2.7
533.16498	1.9
570.66785	2.0
581.06116	1.9
587.39447	3.8
631.38489	4.3
640.68402	2.3
646.49384	1.8
717.24341	2.1
921.31897	2.3
957.50677	100.0
958.51086	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01728	1.1
68.99689	1.0
71.01265	17.6
72.99172	4.5
73.02814	3.6
74.96297	0.9
75.00750	18.1
80.51386	0.9
83.01249	1.4
85.02819	13.4
85.99969	1.0
87.00749	6.8
89.02316	7.7
90.76785	1.0
93.03307	1.1
95.01278	2.5
96.95879	1.8
98.19767	2.4
99.00760	7.3
101.02333	6.1
111.00757	1.4
112.01549	1.1
113.02342	10.1
119.03393	2.0
119.07607	0.9
121.02853	1.7
122.03629	2.4
125.72928	1.0
131.03410	3.6
136.01556	5.8
137.02443	1.0
143.03380	1.7
149.02338	3.8
150.03125	15.4
151.03937	4.8
157.01459	1.3
157.18871	1.3
164.04671	1.4
165.05490	20.4
166.02701	2.7
179.05553	1.2
180.04221	1.2
181.04973	4.5
195.06566	15.8
198.19260	1.0
209.08160	1.6
218.73917	1.1
229.41914	1.1
255.02916	1.1
284.11124	1.1
323.10147	1.1
357.13531	2.1
387.14465	9.0
407.33853	1.3
455.35190	17.6
456.35843	1.5
471.35413	1.3
497.36551	1.4
555.36584	1.4
569.38458	1.3
597.23486	5.5
631.38538	42.5
632.38763	7.4
762.61438	1.3
793.31085	1.7
955.49036	100.0
956.49475	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	955.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	2.6
69.03320	1.4
69.51075	4.1
71.01254	28.1
72.99184	3.2
73.02447	0.6
73.02827	7.2
75.00748	9.1
83.01245	3.5
84.02052	0.4
85.02825	16.6
85.99959	1.3
87.00758	8.1
87.04377	2.3
89.02319	6.9
95.01269	4.0
96.95847	0.6
97.02853	1.1
99.00762	15.7
101.02323	10.1
103.03875	2.8
111.00756	1.0
112.01527	0.9
113.02339	12.2
115.03891	3.0
119.03385	1.3
120.97088	0.5
125.02302	1.2
131.03407	4.9
143.03413	5.8
145.04948	1.1
157.01314	1.0
161.04503	0.8
163.06036	2.3
165.05487	0.8
170.52594	0.5
171.10167	0.6
183.13786	0.9
195.06654	0.8
205.07101	3.4
213.14842	0.6
256.75647	0.5
266.06772	0.5
267.07120	1.0
291.95905	0.5
297.07797	0.8
309.26874	0.5
463.21722	1.3
469.33234	2.9
470.33221	0.7
471.34851	3.8
472.35181	0.6
539.37598	3.9
553.35278	0.8
567.36536	0.6
585.37726	2.6
603.38623	0.9
629.37158	4.5
747.42822	1.2
887.32867	0.6
893.49438	0.9
937.48004	3.1
938.49390	0.6
955.49084	100.0
956.49493	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	955.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	2.1
69.03327	1.6
71.01257	29.3
71.58847	1.3
72.99176	3.0
73.02827	6.1
75.00738	8.1
83.01252	5.0
85.02827	15.4
85.99975	2.1
86.03092	1.3
87.00761	9.1
87.04376	1.3
89.02316	8.0
93.03314	1.6
93.46560	1.2
95.01251	4.3
95.69244	1.6
99.00764	16.1
101.02325	9.3
103.03896	2.8
113.02341	14.2
115.03878	1.6
119.03391	1.6
121.02852	3.3
122.03617	6.2
131.03392	5.6
136.01550	8.0
137.02367	1.7
143.03369	4.5
149.02344	7.8
149.81726	1.3
150.01970	2.5
150.03142	40.9
151.03911	11.2
157.01323	1.5
162.03145	1.9
163.06012	1.5
164.04587	2.2
165.05489	45.2
166.02644	6.8
180.04144	1.6
181.04994	10.3
183.13846	7.5
193.04999	1.6
195.06578	30.4
196.06911	2.1
209.07872	1.2
267.07104	1.3
301.16626	2.5
357.09595	2.9
357.13516	5.1
372.12054	1.9
373.12753	1.9
387.14447	19.9
388.14697	2.5
469.33109	3.6
471.34995	3.5
539.37183	2.3
553.35449	1.5
585.38397	2.0
597.23560	6.5
598.23566	2.3
629.37372	6.0
745.28473	3.8
746.28802	1.7
793.31592	2.1
937.46478	2.3
955.49030	100.0
956.49524	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	955.4911
Annotation	Sandrosaponin X
Peak:m/z	Relative Intensity
68.99673	1.6
69.91768	0.8
71.01254	10.5
72.99184	4.2
73.02820	2.5
75.00745	26.3
83.01279	2.6
85.02828	24.2
87.00747	2.4
89.02319	2.9
95.01264	3.9
96.95864	1.4
97.36744	0.8
98.19787	2.5
99.00755	4.4
101.02330	5.8
113.02333	12.3
115.00255	0.9
119.03391	1.6
125.02369	1.0
130.15791	0.7
131.03386	1.4
143.03351	0.9
161.04428	1.9
181.81914	0.9
219.68370	0.8
229.83586	0.9
323.09686	0.9
394.81693	0.9
407.33105	1.3
437.34509	1.1
455.35297	26.7
456.35608	3.5
497.36563	1.9
555.37030	1.2
569.38843	2.1
612.52515	0.9
631.38483	67.8
632.38843	9.7
668.31842	1.1
775.42719	2.5
817.71112	1.0
955.49066	100.0
956.49225	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	955.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	2.5
70.98271	1.5
70.98586	2.4
71.01259	34.1
72.44659	1.0
72.99171	4.4
73.02827	7.8
75.00753	11.7
78.34569	0.9
81.07521	1.0
83.01258	3.2
85.02821	19.4
85.99950	2.9
87.00758	9.5
87.04393	2.6
89.02322	8.7
95.01259	4.7
96.55922	0.9
96.95895	9.1
97.02842	1.2
99.00761	16.6
101.02331	8.6
103.03890	3.2
112.01524	1.6
112.20467	1.2
113.02319	11.1
115.03927	1.3
115.25287	1.1
119.03356	1.8
130.77171	1.0
131.03380	4.7
143.03409	6.1
161.04555	1.1
163.06046	2.6
205.07092	4.6
247.08426	1.1
278.33896	1.1
346.89865	1.2
471.34637	4.1
585.37500	3.6
629.36945	4.9
955.49097	100.0
956.49298	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	955.491
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	1.6
69.03323	2.0
69.30927	3.7
69.31360	3.3
71.01253	29.2
72.99176	3.4
73.02826	8.7
75.00748	9.4
79.26732	0.6
80.96360	1.1
83.01251	3.9
83.34634	0.7
85.02826	17.9
85.99979	2.6
87.00755	9.1
87.04389	3.6
89.02325	5.5
95.01260	3.2
96.95894	0.6
97.02825	1.3
99.00761	17.4
101.02336	10.1
103.03900	1.8
112.01571	0.7
113.02335	12.5
113.07053	2.0
114.02632	0.9
115.00242	1.1
115.03893	2.8
119.03386	1.6
125.02357	1.1
131.03430	5.3
139.00348	0.8
143.03383	4.9
149.02336	0.9
150.03146	2.9
157.01332	1.5
163.05940	1.1
165.05469	1.7
195.06569	1.4
205.07124	3.1
255.03018	1.0
267.07169	1.3
271.02377	0.8
357.13580	0.9
369.13614	1.3
398.20255	0.8
469.33334	2.9
471.34528	3.5
539.37537	3.4
553.35388	0.9
567.37152	1.2
585.38025	5.3
603.39203	0.9
611.35577	0.9
629.37073	4.2
747.44366	1.0
893.48444	1.2
937.48291	3.0
955.49066	100.0
956.49329	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	953.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	2.9
70.03663	1.7
71.01260	36.1
71.13378	4.1
72.99181	5.4
73.02824	12.7
75.00747	19.8
83.01263	2.2
85.02837	19.8
85.99953	2.4
87.00743	10.8
87.04400	2.6
89.02307	7.4
95.01248	4.6
96.95904	3.0
99.00761	15.3
99.92466	10.9
101.02332	5.8
113.02345	12.9
114.01855	1.6
114.67126	1.7
115.03889	3.1
116.92751	94.5
117.01804	2.2
117.92770	5.6
121.52704	1.8
131.03418	10.6
133.36652	1.7
143.03418	5.5
167.88646	1.9
201.11278	2.2
205.07082	3.0
209.11823	2.7
233.96411	1.8
235.09575	2.2
255.23299	3.3
397.13513	2.6
477.40253	1.8
497.40106	4.2
906.61908	1.8
953.54803	100.0
954.55176	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	955.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.3
71.01255	41.8
72.99183	100.0
73.02811	0.4
75.00748	2.3
80.40921	0.3
83.01254	0.5
85.02827	14.7
85.40692	0.3
87.00779	1.7
89.02321	23.6
95.01262	1.1
98.20659	0.7
98.77833	0.3
99.00755	1.9
101.02354	1.8
101.02937	0.3
107.06400	0.3
113.02331	20.2
115.00293	1.8
119.03400	0.7
131.03415	3.4
133.01328	12.6
134.01678	0.4
149.04474	6.3
157.01340	0.5
218.18481	0.4
223.04533	0.5
227.09779	0.3
240.91432	0.4
263.13263	0.4
303.09686	0.3
307.06705	9.7
325.07767	6.3
355.04178	0.4
423.32907	0.7
447.54745	0.4
461.50696	0.3
485.32755	4.0
647.37982	3.6
686.45825	0.4
770.65594	0.4
955.45496	70.5
956.45825	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	955.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	1.0
69.03314	1.4
71.01257	47.9
71.58735	1.9
72.99187	70.6
73.02827	16.9
75.00748	5.4
83.01274	3.3
85.02827	49.4
87.00758	3.4
89.02328	15.4
95.01268	10.0
96.95892	2.4
99.00760	5.2
101.02323	20.2
103.00257	17.6
113.02340	51.9
114.02650	0.9
115.00237	1.8
129.01830	3.2
131.03427	8.4
133.01335	5.9
136.01520	1.4
150.03145	2.5
157.01314	3.2
163.02371	3.0
165.05469	1.9
175.02411	3.7
175.03831	1.1
193.03476	62.7
195.06573	2.0
201.58533	0.9
249.06052	1.0
250.38826	1.0
485.32758	9.2
652.98138	1.2
661.35577	2.9
955.45673	100.0
956.46033	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	953.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	0.9
68.99678	2.6
69.03323	1.6
71.01254	28.8
71.15549	1.7
72.99186	5.0
73.02814	6.8
74.95123	0.6
75.00743	7.8
81.03293	0.8
81.40631	0.9
83.01245	5.3
83.04910	1.5
85.02825	17.0
85.99953	1.5
87.00755	9.7
87.04385	2.4
89.02320	7.5
92.42653	0.7
95.01280	4.0
95.44340	0.6
96.95889	1.0
96.96812	0.6
97.02808	1.6
99.00760	20.3
101.02322	9.7
103.03879	2.2
111.00774	1.2
113.02331	11.7
115.00307	0.7
115.03889	1.5
116.92726	0.8
117.94572	0.7
119.03377	1.4
123.08053	1.2
125.02316	1.3
126.17252	0.6
131.03438	4.1
131.04257	0.7
139.00269	0.7
143.03433	3.8
145.05003	1.1
152.02000	0.8
157.01215	1.6
163.06007	1.3
179.74522	0.7
205.07077	2.7
283.06042	0.9
314.64185	0.7
388.46750	0.7
389.66876	0.7
423.32849	1.0
467.31323	1.5
469.33377	3.3
483.14124	1.0
485.33090	0.8
493.36902	0.9
537.35999	4.6
551.34039	1.7
583.36487	5.4
609.34613	1.1
627.35303	8.6
628.35919	1.1
669.43848	0.7
738.63593	0.7
745.41766	1.6
891.47943	1.6
935.45776	2.3
953.47491	100.0
954.47736	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	953.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91938	0.7
68.80212	0.7
68.99689	2.6
69.03324	0.8
71.01254	27.5
72.99199	4.8
73.02822	6.8
75.00748	6.7
78.43739	0.8
83.01273	3.2
83.04865	0.9
85.02831	12.2
85.99964	2.2
87.00752	7.3
87.04395	2.9
89.02325	6.9
95.01257	5.1
96.95905	1.3
98.54960	0.9
99.00758	18.0
99.04414	0.9
100.27667	0.7
101.02317	8.7
103.03899	1.4
111.00757	1.2
113.02334	9.1
115.03872	2.4
119.03395	1.4
125.02364	1.1
131.03447	4.8
139.00233	1.2
143.03394	5.1
148.55717	0.9
161.04559	1.3
163.05968	1.4
205.07103	2.7
211.13158	1.1
313.23822	2.5
360.67896	1.2
423.32709	1.0
439.31833	0.9
451.32108	1.5
469.33188	5.8
479.31653	1.3
511.34631	1.5
551.33618	1.5
583.36340	3.4
627.35187	5.5
935.45313	2.1
953.47473	100.0
954.47955	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	953.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.8
71.01256	36.7
71.15845	1.3
72.99179	5.1
73.02824	9.2
75.00755	16.3
79.56796	1.3
80.96386	1.6
83.01237	4.0
85.02819	27.5
85.99972	2.7
87.00764	16.2
87.04382	3.3
89.02307	7.1
95.01261	5.3
96.95872	3.9
97.74972	1.5
98.19773	4.8
99.00767	16.2
101.02322	5.4
103.03878	2.2
112.01573	1.9
113.02339	17.6
115.03869	3.2
116.92750	2.1
119.03379	1.5
125.02348	1.5
131.03392	11.6
143.03400	8.9
157.01295	2.0
163.05995	1.5
165.72873	1.6
205.07079	5.2
220.08606	1.6
227.13043	1.7
229.93723	1.8
343.93433	1.6
355.64633	1.6
398.09100	1.5
648.92584	1.6
953.51050	100.0
954.51538	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	951.532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	1.6
68.99662	2.2
69.48084	1.1
69.49072	10.7
71.01253	32.6
72.76286	1.2
72.99182	2.5
73.02843	7.8
73.03180	1.7
75.00758	12.7
78.95770	1.5
83.01261	5.0
85.02828	18.1
85.99960	1.5
87.00749	8.6
87.04394	3.2
89.02312	7.8
91.40489	1.2
95.01266	7.0
96.95887	5.6
98.19801	3.1
99.00755	10.7
101.02336	13.2
111.00754	1.8
113.02313	11.8
115.03913	1.7
116.92764	4.3
119.03444	1.7
131.03368	4.6
143.03415	7.1
161.04506	1.6
163.06073	1.8
205.07179	4.9
277.21808	2.5
281.65799	1.4
376.83008	1.5
465.37054	4.1
535.41064	2.2
625.41766	1.6
933.53516	2.2
951.53174	100.0
952.53552	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	951.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.4
71.01255	21.0
72.99184	1.8
73.02841	2.7
81.03321	0.7
83.01257	1.5
83.04868	0.6
85.02824	4.5
87.00762	5.1
89.02322	14.4
95.01250	1.0
97.02822	3.4
98.19841	1.4
98.31674	0.4
99.00761	1.3
101.02323	13.9
101.55148	0.4
109.02846	0.6
111.04390	0.6
113.02334	8.0
119.03394	4.1
121.10123	0.5
125.02338	7.0
131.03343	1.0
139.03839	0.6
143.03387	2.2
145.04916	0.5
149.04463	0.4
157.08456	0.4
161.04500	4.0
171.10223	2.8
179.05551	5.2
183.10243	0.8
183.13824	3.1
195.13847	4.9
211.13376	0.9
217.07123	0.7
221.06621	2.1
223.13406	3.3
228.13606	0.5
228.59935	0.6
229.49750	0.5
235.08258	5.9
235.16988	6.4
253.09248	0.8
256.13138	0.6
265.22073	0.6
275.20163	17.0
276.20325	1.0
277.21722	54.7
278.22043	3.6
287.07675	2.1
293.21231	100.0
294.21567	7.1
305.08734	2.2
317.21313	0.5
323.09839	1.2
335.21881	0.6
347.20486	0.5
379.12579	5.0
397.13507	39.0
398.13959	2.3
415.14536	12.6
416.15033	0.8
675.36407	0.6
691.35358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.475
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40831	1.5
68.99689	4.0
69.03322	2.3
71.01254	41.4
71.57524	2.5
72.99164	6.1
73.02812	7.5
75.00756	10.7
77.95847	1.5
78.91822	1.6
81.89175	1.5
83.01247	5.7
83.04898	42.5
84.48918	1.4
85.02822	23.5
85.99957	2.4
87.00745	11.4
87.04391	2.8
89.02318	11.4
95.01238	3.9
96.95881	5.0
97.02795	2.8
99.00749	15.7
101.02328	15.8
103.03883	3.4
113.02325	12.5
115.00237	1.9
116.92731	3.3
131.03381	5.8
143.03389	7.2
145.04950	2.8
150.58734	1.5
161.04472	2.3
163.05992	1.7
205.07114	3.7
297.19006	1.5
327.21756	2.3
378.91980	1.6
405.31674	3.1
423.32510	2.0
568.91327	1.8
909.49048	2.8
953.47577	100.0
954.47620	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	947.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.2
70.07662	2.7
71.01256	24.1
72.99174	2.0
73.02829	2.8
74.52294	0.5
75.00733	0.8
80.96371	0.9
81.03364	0.8
83.01259	2.7
85.02826	5.4
87.00752	5.3
89.02325	19.6
94.97958	0.7
95.01276	1.4
96.95916	1.0
97.02834	4.2
97.06501	0.6
99.00764	1.3
101.02330	20.0
111.04382	1.0
113.02354	8.2
113.09604	7.0
115.62286	0.5
116.92770	1.0
119.03389	6.0
125.02348	10.5
137.02386	0.6
139.11163	0.9
143.03386	4.5
149.04526	1.0
161.04497	4.3
167.10713	1.4
169.04915	0.8
171.10242	1.0
177.12746	0.6
179.05528	4.7
195.13882	1.2
199.06065	0.9
203.41107	0.5
209.11765	0.8
217.06995	0.8
221.06653	1.7
235.08200	10.8
236.10535	0.6
249.22267	0.7
253.09206	2.2
255.23274	60.6
256.23676	3.7
261.23813	0.6
263.07611	0.8
275.20313	1.3
277.09113	0.9
277.21716	2.3
287.07709	2.9
289.18103	1.1
293.21237	41.9
294.21600	2.5
305.08759	4.6
323.09717	1.3
397.13504	100.0
398.13943	7.2
415.14594	32.0
416.14932	2.2
653.37512	5.8
947.48108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46801	8.1
75.25225	7.5
76.73170	7.4
83.01262	9.0
107.01286	17.0
111.00763	18.9
120.09937	8.0
123.00745	14.6
139.00272	34.9
145.41521	9.1
151.00272	50.0
153.01814	9.3
166.99741	12.3
175.00256	10.4
177.01828	14.1
178.99747	24.0
181.01233	8.1
187.03812	9.7
193.01332	12.5
194.99301	8.1
201.01877	23.0
202.02692	16.9
203.03377	11.9
214.67552	8.1
227.03575	9.5
231.02875	16.7
242.02151	9.6
243.03062	18.9
254.78091	8.4
258.01544	10.6
259.02399	31.3
269.00742	9.6
271.02396	73.6
285.00092	10.1
286.01135	20.7
287.02002	55.2
297.00531	8.7
299.02097	50.8
300.02716	26.7
301.03439	32.1
303.01498	10.7
312.99585	11.8
314.00549	16.6
315.01495	74.1
316.02069	9.5
317.02792	14.3
327.49014	8.3
331.00745	16.4
449.07193	13.6
461.06839	10.0
462.08051	8.6
463.08878	16.4
477.06766	100.0
478.07324	15.9
494.07233	10.6
532.16095	8.1
536.53992	8.7
743.20361	15.7
769.18500	32.2
787.19031	35.7
949.25336	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	949.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60081	0.4
67.01802	0.4
67.30011	0.4
69.03332	1.1
71.01254	13.8
72.01591	0.4
72.99172	2.0
73.02821	2.4
74.31763	0.4
75.00714	0.6
77.06914	0.4
81.03338	0.8
82.06928	0.3
83.01251	1.5
85.02834	2.9
87.00741	3.5
89.02319	13.0
91.03917	0.5
92.59735	0.4
95.01266	1.0
96.95885	1.5
97.02821	3.1
98.19824	1.0
99.00747	1.3
99.04402	0.6
100.81934	0.4
101.02323	11.1
113.02331	5.7
113.09589	1.9
115.11047	0.4
119.03386	3.6
125.02332	5.1
131.03381	0.9
133.04994	0.7
139.03879	0.5
141.01816	0.6
143.03400	2.5
161.04482	2.6
167.03300	0.6
169.12187	0.6
179.05525	2.4
179.14307	1.3
181.12273	0.7
195.13840	15.6
196.14211	0.7
209.11774	1.3
217.06931	0.5
219.05290	0.5
221.06570	1.1
235.08209	5.7
253.09215	1.1
254.04134	0.5
255.23279	34.7
256.23642	2.1
263.07761	0.5
269.24872	0.6
277.21725	15.6
278.22006	0.9
287.07703	2.1
295.22791	100.0
296.23166	7.3
305.08688	2.5
323.09641	0.7
345.45541	0.5
397.13513	58.9
398.13809	3.9
415.14575	18.3
416.14923	1.0
653.37561	3.4
654.38483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77610	10.8
69.78035	13.4
71.01255	84.8
73.02826	30.3
83.01258	10.5
85.02832	29.9
87.00750	7.1
89.02321	37.5
91.22409	3.5
95.01284	7.3
98.19825	3.9
99.00826	3.7
99.82289	3.3
101.02333	54.2
113.02324	37.5
119.03358	16.1
125.02338	7.7
143.03395	8.2
149.04472	4.7
151.00273	4.6
161.04454	20.3
165.99092	3.5
177.01956	3.3
178.99698	4.6
179.05537	9.9
189.12833	22.5
191.03447	3.5
255.03142	6.4
271.02484	18.6
272.02716	4.3
279.71768	4.2
299.01932	18.0
300.02606	7.9
369.19193	54.3
387.20200	58.7
388.20682	4.8
423.05630	4.3
429.21283	100.0
430.21509	7.3
503.09525	3.7
785.20538	6.8
947.26221	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	947.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19609	7.0
69.66637	7.0
71.01250	88.3
71.18349	7.2
71.57492	14.5
72.99181	12.9
73.02824	43.1
76.45830	8.4
78.95776	7.7
83.01257	22.3
85.02831	30.4
89.02330	50.7
101.02334	86.9
113.02335	38.3
116.03274	7.4
119.03394	18.4
126.94499	8.0
149.04338	11.4
151.00293	12.5
161.04462	33.3
179.05551	9.8
189.12764	21.9
271.02435	12.0
299.01968	18.8
369.19150	18.8
387.20276	88.1
388.20508	9.9
429.21280	100.0
532.15051	9.6
947.24860	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	947.478
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.9
71.01259	26.7
71.01663	1.3
71.26530	0.9
72.99212	1.5
73.02821	7.4
75.00752	12.2
83.01274	2.3
85.02829	18.3
85.99970	1.8
87.00758	9.4
87.04379	2.3
89.02315	6.4
95.01289	2.9
96.95879	1.6
99.00758	10.4
101.02322	4.6
103.03896	2.0
106.16924	0.9
111.00791	1.8
113.02333	13.4
114.86031	0.9
115.03878	3.4
121.06451	0.8
125.02332	0.8
131.03383	9.6
139.00252	1.7
143.03397	6.9
145.04973	1.4
157.01292	1.0
163.06110	1.4
171.10161	1.1
205.07031	5.7
209.11781	1.5
211.13368	1.0
293.21152	0.9
296.86105	0.9
438.44513	1.0
852.58966	1.1
911.50067	100.0
912.50446	20.6
920.48907	1.1
947.46503	1.7
965.71948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46560	1.3
79.25985	1.3
88.66702	1.2
151.00291	4.6
178.99776	2.7
202.02682	1.7
215.03471	1.6
229.57367	1.7
230.02142	9.6
231.02827	3.1
241.01221	1.4
243.03062	2.7
258.01712	16.3
259.02344	4.7
260.76913	1.8
270.01703	3.4
271.02411	4.1
286.01205	36.5
287.01926	11.3
301.03558	18.1
314.00696	7.6
315.01474	22.7
316.02271	5.7
316.75314	1.6
329.03027	100.0
330.03711	32.1
331.04602	10.6
474.57666	1.4
477.07468	1.9
492.09070	16.5
493.09894	4.1
785.21503	61.4
786.21887	9.5
947.26636	26.3
948.27277	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	947.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05429	2.7
71.05791	1.2
82.32594	1.1
109.99994	3.4
110.51386	1.1
111.00795	2.8
136.98694	1.9
139.00328	7.3
151.00270	3.9
151.01443	1.3
163.00240	1.6
164.98178	2.0
165.99026	8.0
166.99767	1.9
171.04478	1.3
175.00256	1.4
178.99786	1.8
193.98534	1.9
213.01796	1.3
214.02684	1.3
215.03442	3.7
230.02251	2.7
231.02855	2.3
241.01437	2.9
242.02289	2.6
243.02983	4.3
255.03033	1.6
257.01083	1.4
258.01709	8.5
259.02420	6.9
270.01697	7.4
271.02567	4.8
273.04056	3.5
285.01016	1.6
285.03949	7.5
286.01196	13.2
287.01962	36.3
288.02258	2.5
297.00256	3.1
298.01022	2.0
299.01700	1.7
300.03174	1.4
301.03528	15.6
302.04321	10.6
303.04883	1.3
313.03424	7.1
314.04208	1.3
315.01526	16.6
315.04932	2.0
316.02155	7.4
329.03040	25.1
330.03793	35.6
331.04495	17.0
354.87521	1.2
475.08823	3.2
492.09180	4.6
607.98883	1.3
715.18713	1.2
764.45599	1.3
785.21417	100.0
786.21533	16.1
886.42889	1.5
947.26404	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	945.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36755	2.1
69.37179	4.4
71.01254	1.3
83.01256	1.3
85.02838	0.7
97.76389	0.6
99.00776	0.8
101.02364	1.0
107.01264	2.9
113.02373	0.7
117.96625	0.8
119.01260	0.9
131.35808	0.6
132.02077	9.6
133.02870	4.5
133.32707	0.7
134.03632	2.2
143.04886	1.0
145.02859	1.5
151.00267	9.2
152.01079	0.8
155.04939	1.4
160.01573	33.1
161.02359	11.1
163.00262	0.8
169.01350	1.5
171.04424	1.6
175.03929	19.8
178.99777	3.2
183.04414	2.1
185.02374	1.1
187.03908	1.8
199.03958	9.8
201.01871	1.4
203.03410	1.4
211.03944	1.4
213.01913	0.8
214.02663	0.8
215.03406	4.2
227.03464	11.7
228.03923	0.8
229.01540	1.0
242.02159	7.4
243.02968	32.2
244.03343	2.1
255.00320	1.0
255.02966	19.4
256.03482	1.3
257.04559	4.6
270.01688	5.6
271.02481	49.2
272.02979	2.8
284.03333	5.2
285.04025	11.3
286.04758	3.1
287.05249	1.1
298.01260	0.7
299.01971	100.0
300.02621	14.4
313.03555	7.5
314.04324	72.3
315.05042	19.0
316.05414	1.4
328.05917	1.4
329.06729	1.6
675.03632	0.8
751.21039	1.5
769.21985	10.6
783.23535	2.3
795.20813	0.9
944.49628	1.9
945.26715	53.6
946.26984	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	945.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99171	1.2
73.11530	1.0
74.87688	0.9
83.01266	1.5
85.02815	2.3
91.91602	0.9
96.95892	1.9
99.00766	1.1
101.02322	1.1
107.01298	2.4
113.02385	1.7
115.62266	1.0
132.02151	1.3
140.27339	1.0
147.58928	1.0
149.02325	1.2
150.03120	1.1
151.00276	4.4
151.03897	1.1
160.01376	1.0
160.03979	1.0
163.00317	1.4
169.01299	2.0
175.03897	1.4
178.99760	1.4
187.03961	1.2
211.03964	3.3
227.03467	44.8
227.05751	2.1
228.03864	2.7
229.05016	3.2
239.03491	1.6
255.02989	88.9
256.03564	8.6
257.04483	2.4
267.07159	1.2
283.02402	2.7
284.03275	100.0
285.03952	21.5
286.04443	1.3
314.04324	1.2
739.20819	10.9
901.31323	33.4
902.32495	6.5
945.30078	12.4
946.31244	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	945.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.3
71.01257	26.2
71.57582	1.4
71.57929	1.4
72.99200	1.6
73.02830	4.2
79.95616	3.4
80.96385	9.6
81.03336	1.3
83.01254	1.5
85.02849	5.3
87.00777	5.1
89.02325	18.9
94.98013	1.8
95.01292	1.6
95.08870	1.1
97.02850	4.3
99.00704	1.4
99.90139	1.3
101.02328	15.4
106.97995	1.2
113.02309	7.5
119.03414	5.7
121.02859	2.0
125.02331	8.2
125.09631	1.6
143.03413	4.2
152.99422	1.6
161.04477	5.1
169.74118	1.2
179.05510	4.1
209.04572	1.7
209.11794	2.5
225.00677	1.8
227.13014	3.3
235.08223	9.9
253.09309	3.0
255.23293	60.5
256.23727	3.4
263.20224	3.6
273.18652	2.9
277.21768	5.4
287.07761	3.2
291.19684	25.8
292.20145	1.5
305.08795	4.4
379.12543	1.6
397.13492	100.0
398.13712	5.4
415.14612	29.9
440.54163	1.6
632.49255	1.2
653.37500	5.2
945.40753	8.5
946.42047	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	945.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43360	9.1
73.47379	0.9
74.79072	0.9
75.07559	0.9
83.01261	1.7
86.94700	0.9
101.03823	1.3
107.01248	3.4
107.58443	1.0
118.58099	0.9
132.02063	12.9
133.02840	3.0
134.03621	2.0
135.84248	1.0
145.02766	1.1
147.00775	1.3
151.00282	12.3
152.00906	1.4
155.04932	1.7
160.00235	2.0
160.01570	32.9
161.02335	8.8
171.04410	1.2
175.03928	24.1
178.99763	3.3
183.04419	2.4
187.03957	1.7
190.02641	1.1
199.03929	12.1
200.04210	1.2
201.01877	1.3
203.03477	1.4
211.03928	1.4
215.03529	4.7
226.02797	1.2
227.03479	13.8
229.01340	1.4
242.02287	7.3
243.02956	40.4
244.03409	2.0
255.02966	25.8
256.03470	1.6
257.04495	4.5
270.01654	7.8
271.02490	57.6
272.02933	3.6
284.03305	7.5
285.04037	13.4
286.04782	5.5
299.01981	100.0
300.02646	18.8
313.03607	7.6
314.04327	76.5
315.05042	23.0
369.06302	1.0
473.31198	1.1
547.63684	1.0
751.21069	1.4
769.21906	16.2
770.22266	2.9
780.59985	1.1
783.23114	2.5
888.03766	1.1
945.26654	58.4
946.27161	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	943.6157
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33337	1.9
73.79085	1.6
75.00742	16.3
85.02804	11.3
93.27944	1.9
113.02332	6.3
115.66961	1.7
229.40390	2.2
242.69574	1.8
260.91745	1.7
352.50366	1.8
455.35400	3.9
505.17465	2.2
598.96606	1.9
631.38470	100.0
632.38757	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	945.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67988	1.7
69.68310	9.0
71.01246	5.2
74.08794	1.0
75.00760	1.9
75.49622	1.0
83.01279	1.9
85.02843	2.6
96.95875	1.4
99.00732	3.2
101.02309	2.2
107.01268	3.1
113.02312	2.4
132.02075	13.1
133.02847	4.8
134.03615	2.2
143.33502	1.2
145.02812	2.9
150.03125	1.3
151.00279	10.6
152.00961	1.4
155.04918	1.2
160.01573	38.8
161.02357	11.7
165.05508	2.1
167.04961	2.0
175.03929	23.3
178.99796	3.7
183.04440	1.9
187.03966	2.5
199.03900	11.7
201.01840	1.3
215.03430	3.5
225.39046	1.3
227.03450	12.1
242.02188	5.8
243.02968	39.7
244.03175	1.3
250.14384	1.4
255.02975	22.1
257.04462	5.0
270.01651	7.3
270.11505	1.4
271.02472	51.6
272.02887	4.2
284.03220	5.4
285.03961	11.6
286.04800	4.4
299.01965	100.0
300.02667	20.7
313.03641	9.7
313.07095	2.1
314.04309	88.3
315.05008	21.9
328.05658	1.8
329.06912	1.8
533.25739	1.2
751.20178	1.6
769.21875	18.3
783.23346	3.3
944.49048	5.4
945.26752	56.2
945.48267	2.9
946.27454	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	945.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43565	2.0
69.43992	1.8
71.75390	0.4
83.01236	0.8
93.03361	0.9
99.00774	0.6
107.01284	2.5
115.03900	0.4
119.01311	1.3
124.38683	0.4
132.02071	1.4
135.00758	1.3
147.00800	1.1
149.02420	0.8
150.03104	0.5
151.00301	3.9
152.00946	0.8
159.04373	0.6
163.00291	1.4
164.01077	0.9
164.04657	0.6
165.01761	0.8
169.01361	1.1
175.00287	8.2
176.01073	5.8
178.99773	1.7
183.04422	1.9
185.06059	0.7
187.03928	0.8
190.02643	15.2
191.03429	6.2
199.03906	1.3
205.04999	7.3
206.05486	0.6
211.04041	2.4
213.05487	0.7
227.03448	45.5
228.03778	2.6
229.05028	2.6
239.03383	1.4
241.04991	0.5
243.02956	0.5
255.02969	87.9
256.03568	8.6
257.04544	2.6
283.02478	6.0
284.03256	100.0
285.03952	19.9
286.04358	1.0
298.04733	2.6
299.02335	0.8
299.05377	2.7
327.05090	0.7
475.17480	0.5
505.18927	0.8
517.18750	1.6
721.19586	1.3
739.20880	8.3
740.21844	0.9
753.22369	4.5
765.18878	0.8
779.21350	0.6
945.26581	37.2
946.27173	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	943.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.4
71.01264	13.9
71.04883	3.1
72.99165	2.1
73.02813	4.1
85.02829	6.0
87.00746	5.6
89.02305	7.3
95.01261	1.4
95.04885	1.5
97.02843	11.0
97.06464	2.2
98.19747	2.1
99.00759	21.0
101.02329	11.5
101.07850	1.2
110.03622	1.8
113.02349	6.7
119.03373	2.1
123.08075	1.8
125.02346	6.6
125.09589	5.3
125.13467	1.3
136.05214	1.8
142.02596	2.4
161.04472	2.9
163.11227	11.3
179.05539	2.0
181.12270	17.9
197.11659	2.2
199.13332	3.8
207.10210	54.1
208.10425	1.4
211.13350	1.6
225.11276	74.2
226.11597	3.7
229.63371	2.1
235.08235	3.1
243.12346	29.2
244.12584	1.3
277.21713	53.5
278.22021	4.6
345.00040	1.4
369.85745	1.4
379.12463	2.7
384.03287	1.4
397.13470	10.3
605.24481	19.5
606.24719	2.4
623.25818	9.8
709.46271	1.8
818.71942	1.4
883.47003	100.0
884.47113	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	941.512
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	2.1
68.99998	0.3
69.03316	1.4
70.33486	1.3
71.01256	34.4
72.99191	4.8
73.02820	8.5
73.88323	0.3
75.00750	13.8
81.03331	0.6
83.01263	3.8
85.02827	27.1
85.99973	2.1
86.03139	0.5
87.00751	12.5
87.04385	3.0
89.02322	8.8
95.01258	5.4
97.02819	1.4
99.00759	15.6
99.04395	0.5
100.01128	0.4
101.02328	12.9
103.03908	2.7
111.00700	0.5
112.01520	1.2
113.02332	15.2
115.00243	0.6
115.03905	3.9
119.03387	1.5
125.02348	0.7
126.73092	0.3
127.03924	0.5
127.81949	0.4
131.03397	5.5
134.09860	0.3
139.00273	1.4
143.03409	7.4
145.04939	1.5
150.05034	0.4
157.01295	1.5
161.04465	1.1
163.06039	2.3
189.44159	0.4
205.07097	4.5
206.07498	0.5
247.08202	0.4
249.11018	0.8
315.68524	0.4
376.77975	0.4
395.11990	0.5
425.34384	0.4
437.34311	0.9
457.36783	0.4
656.50684	0.4
923.49878	1.0
941.51147	100.0
942.51440	21.1
965.57513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81610	0.9
68.99693	2.6
69.03311	1.7
71.01258	35.8
72.99182	4.3
73.02819	8.1
75.00755	14.0
79.31749	0.9
83.01274	5.3
85.02829	23.3
85.53881	1.0
86.00001	2.5
87.00764	11.3
87.04395	2.8
89.02323	8.2
89.70121	0.9
95.01262	4.8
96.95872	2.5
97.02853	1.5
99.00758	13.2
101.02336	14.2
103.03874	2.5
113.02340	13.4
115.03901	3.7
119.03440	2.2
125.02357	0.9
131.03406	6.0
141.92599	1.2
143.03415	6.1
145.04973	1.3
157.01309	1.1
157.96893	1.1
161.04482	1.8
163.06044	3.1
205.07184	4.6
229.38028	1.4
247.08109	1.1
321.97540	1.0
455.35193	1.3
525.39240	1.7
692.92133	1.1
923.49835	1.9
941.51196	100.0
942.51501	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	941.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60703	0.4
71.01253	1.7
71.05756	0.9
72.11678	0.4
72.99188	1.2
75.00747	16.1
80.32034	0.4
83.01270	0.8
83.15454	0.4
85.02830	14.3
87.00751	1.3
88.98676	0.4
91.47054	0.3
95.01248	1.9
96.95880	0.5
97.02826	0.6
99.00754	1.3
112.01557	0.9
113.02336	8.0
117.01812	0.4
129.01849	0.8
157.01306	0.8
160.06920	0.4
291.19397	0.5
309.20673	1.2
310.11633	0.4
341.23209	0.8
344.42130	0.5
455.35449	0.5
587.39667	2.4
598.81152	0.4
631.38513	100.0
632.38879	14.2
961.20953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69018	1.4
69.03333	1.4
69.39788	11.9
71.01254	19.0
72.65872	1.6
73.02821	3.9
74.62679	1.4
81.03352	2.0
81.59376	1.5
83.01282	2.8
85.02836	3.7
87.00751	7.9
89.02326	7.0
89.41386	1.4
89.47128	1.4
94.66793	1.3
97.02840	11.2
97.06461	2.9
99.00755	25.0
101.02322	9.9
109.06464	1.8
110.03633	1.6
113.02360	6.8
119.03378	1.7
125.02348	11.0
125.09572	5.7
135.08040	1.8
142.02641	3.5
143.03406	2.2
153.77800	1.5
163.11188	12.9
179.05446	2.6
181.12253	20.8
182.12604	2.1
187.33580	1.5
199.13318	5.3
207.10216	66.7
208.10529	4.4
218.73166	1.6
225.11278	100.0
226.11597	4.5
235.08130	3.9
243.12366	36.7
277.21741	52.1
277.24844	1.9
278.22229	4.2
317.16010	3.2
397.13452	6.9
406.99576	1.6
445.33569	1.5
605.24561	29.2
606.24768	4.6
623.25525	28.1
624.25897	3.0
747.81458	1.8
831.82739	1.9
883.46906	85.9
884.47388	21.1
943.62915	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	941.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	2.1
69.41650	4.9
71.01256	24.1
72.99186	3.0
73.02799	1.1
75.00751	18.5
83.01261	1.1
83.12426	0.5
85.02353	0.7
85.02830	12.1
85.59545	0.6
87.00755	4.4
89.02323	6.8
95.01269	2.7
97.02847	0.5
99.00760	19.6
101.02303	2.8
102.72689	0.5
111.00747	0.7
112.01551	1.1
113.02333	8.6
116.40328	0.6
131.03389	2.0
157.01315	2.2
174.85043	0.5
192.89532	0.5
208.10707	0.5
220.90546	0.5
310.08197	0.5
335.13663	0.5
423.32629	1.9
439.31879	1.0
469.33261	1.9
471.34818	4.6
472.34521	0.9
585.37695	2.3
593.37549	0.5
629.36902	5.5
645.39935	0.7
717.41846	3.9
718.42682	0.7
735.43280	1.8
779.42249	2.4
780.42767	0.7
941.47540	100.0
942.47803	23.3
942.76294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31536	2.1
69.03323	4.6
69.58113	14.2
71.01252	25.4
72.99155	2.3
73.02837	4.4
79.95577	2.0
80.96392	11.1
83.01250	3.2
85.02833	3.9
87.00761	3.3
89.02315	16.0
89.52644	2.1
93.56749	1.7
94.36496	2.1
97.02848	3.0
101.02302	13.3
103.11057	2.0
113.02326	10.3
116.92754	19.1
119.03385	5.9
125.02348	6.4
131.03444	3.0
143.03413	2.8
150.24832	2.1
155.03423	2.0
161.04430	2.9
167.10703	2.8
179.05548	4.6
179.14323	4.1
195.13853	8.5
205.12256	8.4
223.13353	100.0
224.13625	3.6
225.00742	2.5
235.08194	6.8
255.68980	2.1
277.21732	70.5
278.22086	6.1
287.07715	2.8
305.08765	2.4
340.82730	2.1
379.12366	8.5
397.13474	60.1
415.14514	11.4
462.58508	2.2
603.26447	9.0
621.27570	8.5
675.35822	3.8
881.48010	2.9
897.44824	2.5
941.43561	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	941.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.1
71.01260	26.6
71.58426	1.4
72.99187	3.5
73.02834	6.5
75.00748	9.5
83.01254	3.6
83.04904	25.2
85.02829	21.3
87.00760	7.8
87.04388	3.8
89.02312	4.8
95.01250	3.9
96.95894	2.1
97.87990	1.1
99.00756	19.8
101.02325	7.6
113.02345	12.0
115.03902	2.6
131.03413	6.5
143.03427	4.0
155.85609	1.2
157.01335	1.5
163.06097	1.7
205.07179	1.5
213.81615	1.1
217.49487	1.2
218.40640	1.4
436.64932	1.3
487.34210	3.9
523.05890	1.4
645.36334	6.5
647.37726	2.8
890.98096	1.4
941.47754	100.0
942.47803	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	941.4755
Annotation	Stellatoside B
Peak:m/z	Relative Intensity
65.47840	0.8
66.95872	0.8
68.99670	1.0
69.03345	0.9
71.01257	11.6
72.99190	4.0
73.02812	2.2
75.00749	29.1
78.24833	0.9
85.02827	19.6
87.00744	5.2
89.02370	0.8
95.01270	3.1
96.95876	1.6
98.20619	1.3
98.33397	0.9
99.00753	5.5
101.02335	2.0
113.02336	11.4
114.48727	0.9
115.00256	1.7
117.01822	1.1
128.03455	1.2
143.04544	1.6
150.03102	1.6
153.29716	0.9
157.01334	1.3
165.05536	0.9
166.80014	0.8
175.03870	1.2
181.05151	0.9
191.05589	2.0
195.06610	1.4
255.02768	1.0
268.04160	1.1
272.08804	1.0
306.07785	3.0
307.08194	1.1
358.19244	1.0
423.32471	0.9
453.33942	1.3
471.34805	13.3
513.35675	3.5
585.37976	8.4
586.38184	1.1
587.36005	1.5
603.39154	3.2
647.38043	28.3
648.38324	4.0
941.47571	100.0
942.47882	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	939.6433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	2.8
71.45693	1.8
81.66458	0.9
83.04879	1.3
85.02811	1.7
95.01251	1.2
96.95890	1.7
106.62093	1.0
113.02386	1.2
119.36974	0.9
121.02811	2.2
132.02046	1.4
134.03645	4.8
146.03635	2.0
149.02357	2.9
150.03130	9.6
151.03917	1.8
160.01596	8.8
161.02280	1.7
164.04706	2.2
165.01836	1.3
165.05481	7.6
166.02728	1.7
171.01529	1.1
175.03941	11.1
176.04694	1.0
179.03403	3.4
179.07071	1.4
180.04175	1.0
193.04979	4.6
193.08727	1.1
194.05759	2.6
195.06509	5.8
209.08025	2.5
284.03214	1.8
309.72623	1.2
327.12555	1.0
337.09241	12.0
338.09546	1.5
341.10123	1.0
357.13361	1.4
367.10037	1.0
483.70547	1.0
533.16528	6.6
550.00452	1.1
635.29901	1.2
673.98761	1.2
701.21350	1.2
743.25958	1.8
903.66229	3.2
939.64178	100.0
940.64386	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	939.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77079	0.6
68.99699	1.2
69.03355	1.2
69.26125	0.6
71.01254	30.2
72.99179	4.3
73.02827	7.9
75.00753	12.4
83.01247	3.4
85.02827	26.2
85.99974	1.5
87.00750	9.3
87.04395	3.4
89.02329	9.0
95.01254	5.3
96.95937	0.8
97.02882	1.1
99.00761	16.1
101.02329	11.9
103.03893	2.2
108.91859	0.7
111.00735	1.4
112.01537	1.1
113.02335	15.5
115.03886	2.1
119.03426	1.3
123.22404	0.7
131.03384	5.2
139.00272	2.2
143.03395	7.1
157.01317	1.3
161.04477	1.9
163.05977	2.5
205.07114	3.7
265.10489	0.8
391.30191	1.1
407.33023	2.2
455.35184	0.9
564.69873	0.8
613.37720	1.1
921.48737	2.5
939.49652	100.0
940.49786	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	939.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.8
68.99689	2.5
69.03323	1.4
71.01260	34.1
72.99191	4.5
73.02820	9.0
75.00753	14.2
81.03326	0.8
82.29013	0.8
83.01264	5.8
85.02824	19.7
85.99966	2.4
87.00756	11.3
87.04384	2.7
89.02319	7.8
95.01277	4.9
96.95916	1.1
97.02837	1.2
99.00768	14.5
99.84686	0.7
101.02325	13.5
103.03918	3.5
106.78581	0.7
111.00815	0.7
113.02335	13.9
115.00285	0.7
115.03899	3.2
119.03400	2.7
131.03386	5.9
143.03409	8.5
145.04942	0.9
158.76491	0.7
161.04462	1.1
163.06047	2.7
205.07143	4.1
264.34354	0.8
300.87729	0.6
453.33597	3.2
455.34753	0.9
523.37823	2.3
613.37256	1.4
690.38623	0.7
810.87622	0.8
921.48364	2.7
939.49597	100.0
940.50153	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	939.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	2.5
71.01257	37.1
71.58537	1.2
72.99182	3.9
73.02818	8.1
75.00748	12.8
83.01270	5.9
85.02822	17.8
85.99969	1.8
87.00751	10.6
87.04391	2.9
89.02316	7.0
95.01239	5.4
96.68507	0.9
96.95893	1.8
97.02837	2.4
99.00165	1.6
99.00765	18.5
101.02333	14.5
103.03909	2.0
111.00790	1.7
113.02334	16.8
115.00285	1.3
115.03886	2.8
116.92803	1.0
119.03405	2.3
131.03416	6.9
139.00267	2.2
143.03404	5.5
157.01352	1.5
161.04477	1.9
163.06073	2.3
205.07103	3.1
212.40811	1.2
231.78029	0.9
253.21208	1.0
347.06616	1.0
407.17377	1.0
437.34274	1.3
453.33771	1.1
921.49420	1.7
939.49609	100.0
940.50061	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	939.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	2.6
69.95312	6.2
71.01251	30.9
72.99174	3.3
73.02831	7.3
75.00739	8.6
80.10374	0.9
83.01236	2.4
85.02826	16.1
85.99948	1.8
87.00751	7.9
87.04394	1.7
87.42937	1.0
89.02312	7.5
95.01257	4.3
96.95872	1.6
97.02812	1.3
97.32309	1.2
99.00761	17.3
101.02332	10.3
103.03902	2.6
113.02338	9.4
115.03869	2.8
119.03413	1.0
125.02331	1.3
131.03404	5.4
143.03401	4.8
145.05025	1.2
157.01294	1.3
161.04590	1.7
163.06050	1.5
174.85579	1.3
180.15451	1.0
205.07083	3.5
409.34897	2.6
425.85437	1.1
449.02905	1.2
453.33798	2.8
523.38232	1.6
729.52295	1.3
921.48627	3.4
939.49591	100.0
940.49707	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	939.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01744	0.6
68.99695	2.3
69.03328	1.4
69.39248	0.2
71.01255	32.5
71.57761	0.3
72.01597	0.3
72.99177	4.2
73.02821	7.6
75.00747	9.7
81.03341	0.4
83.01261	3.7
84.02039	0.3
85.02824	18.1
85.99975	2.1
87.00754	10.1
87.04382	2.6
89.02322	6.3
95.01268	4.2
96.95875	0.3
97.02845	0.8
99.00761	13.9
99.04406	0.5
100.01124	0.4
101.02327	10.0
103.03894	2.5
111.00752	0.7
112.01539	0.8
113.02337	10.5
115.00247	0.8
115.03896	2.5
119.03410	1.5
125.02331	0.6
127.03882	0.4
129.01852	0.2
131.03403	4.9
139.00237	0.7
143.03410	5.9
143.04544	0.3
145.05009	1.2
157.01418	1.1
161.04445	0.8
163.06035	2.2
205.07137	4.0
247.08188	0.7
271.76727	0.2
297.04129	0.3
338.29013	0.3
437.34106	1.0
453.33774	5.2
454.34100	0.7
455.29343	0.4
455.35312	5.1
456.35422	0.5
467.30063	0.2
481.37112	0.3
483.35059	0.3
497.36319	1.0
523.37964	2.8
524.38245	0.4
525.35779	0.5
537.35760	1.5
551.37573	1.5
567.36591	0.6
569.38470	3.6
570.39136	0.5
587.39594	0.8
595.36383	0.6
613.37445	5.6
614.37787	0.7
713.42743	1.2
731.43268	1.2
793.43811	0.3
795.44971	0.3
877.49377	0.9
921.48688	2.5
922.49780	0.5
939.49597	100.0
940.49890	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	939.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	2.7
69.03334	2.7
71.01251	36.8
71.57899	1.8
72.50928	1.1
72.99175	4.6
73.02812	7.9
75.00742	8.9
83.01250	3.7
85.02824	22.3
85.99950	1.5
87.00760	11.8
87.04406	2.1
87.25872	1.3
89.02316	5.2
89.61360	1.3
95.01253	5.1
96.95889	17.3
99.00758	26.7
99.50132	1.3
101.02309	5.4
113.02335	16.4
115.03883	3.7
123.00796	1.1
129.01784	1.5
129.39307	1.3
131.03381	6.6
136.01616	1.8
143.03407	4.9
146.03648	7.2
149.02299	1.5
150.03130	3.2
161.05890	1.2
164.04712	3.9
165.05466	5.1
166.02609	1.7
179.07060	5.2
193.04762	1.3
195.06606	2.3
204.04292	1.7
205.07158	2.6
212.62312	1.2
219.06596	3.9
267.07224	6.7
271.09659	2.0
284.03348	2.0
299.05685	2.2
301.72519	1.2
372.14700	1.4
417.14017	2.8
421.31369	2.3
423.32690	4.6
491.35013	2.0
537.35846	2.0
553.35895	1.9
581.34674	3.0
643.35120	5.3
666.78546	1.3
877.45789	3.3
907.39728	1.6
939.46082	100.0
940.46332	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	939.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47198	18.2
69.47624	15.0
71.01253	27.0
72.99212	4.1
73.64903	3.3
76.94682	3.8
83.04871	5.2
85.02815	6.6
87.00755	9.7
89.02314	17.6
96.95911	10.3
97.02843	4.6
101.02327	17.9
102.66015	3.7
105.92549	4.9
113.02354	8.1
119.03437	5.2
125.02350	7.4
131.46335	3.9
145.29335	3.4
161.04425	6.1
165.12773	8.1
171.10265	5.0
179.05531	7.2
190.88043	4.1
193.12315	8.3
201.11244	86.0
201.77028	4.6
209.11757	79.7
221.07961	4.2
225.11310	5.4
227.12843	49.7
232.83218	3.9
235.08136	9.3
236.13994	4.0
237.11279	15.6
277.21738	100.0
325.21222	5.1
361.12003	4.0
379.12411	18.9
397.08398	5.2
397.13510	82.5
401.28641	4.2
415.14459	17.3
581.24408	7.1
589.24823	8.3
599.25311	5.8
606.35620	4.3
607.26349	5.9
675.35889	12.7
859.47125	5.2
860.47968	4.7
939.46472	46.0
940.47211	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	939.458
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	1.4
69.70786	1.0
71.01257	27.9
72.99174	3.8
73.02797	1.5
73.23288	0.9
75.00360	1.3
75.00751	15.1
83.01247	2.4
85.02824	9.6
87.00744	4.5
89.02316	9.2
95.01238	3.1
96.95937	1.1
98.20559	2.5
99.00166	1.8
99.00761	24.9
101.02319	3.3
113.02341	7.1
131.03397	2.8
139.00331	1.0
167.54056	1.0
371.97897	1.0
423.32538	2.8
455.35330	1.4
469.33170	10.3
583.36493	3.2
601.37408	1.4
627.35706	5.3
643.38495	1.8
713.84613	1.1
715.40289	6.5
716.40796	1.6
777.40204	5.5
939.46198	100.0
940.46759	19.4
962.88831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.46
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84403	1.0
68.99674	1.6
70.98640	1.8
71.01257	28.5
72.99182	1.9
73.02825	6.6
75.00758	7.2
83.01266	3.6
85.02824	14.3
85.99978	1.8
87.00761	9.1
87.04395	2.6
89.02312	3.1
95.01278	2.1
96.95887	6.4
99.00758	15.9
101.02306	4.0
102.00407	1.0
103.03909	1.5
113.02330	11.9
115.03890	2.8
115.70752	0.9
128.03404	1.1
131.03392	6.4
134.03497	1.5
143.03362	3.4
143.04526	2.1
145.04944	1.0
146.03685	1.4
149.02319	1.3
156.28308	1.0
163.95221	1.2
164.04691	1.7
165.05493	1.2
175.03809	1.2
179.06987	1.8
193.05092	2.3
205.07068	2.2
267.07037	2.2
303.01624	1.0
306.07642	3.8
357.13025	1.1
395.20963	1.5
439.32251	2.1
441.33850	1.8
463.22397	1.1
485.32745	1.8
505.16476	1.3
523.34601	1.4
546.46936	1.2
553.35510	3.1
555.36884	2.9
599.35907	3.9
643.34784	5.1
731.38379	1.4
895.44232	2.3
939.46124	100.0
940.46350	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	937.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	3.6
71.56944	2.4
76.00636	1.7
79.95606	3.0
80.96403	6.5
96.35708	1.3
98.41180	1.4
99.92458	12.3
101.02334	2.1
113.02390	2.5
114.93268	1.7
116.92743	100.0
116.97114	2.4
117.01841	1.9
117.92764	6.3
211.13297	13.5
225.00644	2.0
235.08197	2.0
277.21652	7.6
322.87659	1.7
397.13519	6.6
475.50592	2.1
609.27808	2.0
668.80017	2.3
937.42108	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	937.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	3.6
69.03320	2.0
70.00095	0.5
71.01255	39.3
71.57904	1.0
72.01600	0.5
72.99185	3.9
73.02821	10.5
75.00751	18.1
79.49670	0.5
82.48412	0.4
83.01260	3.7
85.02825	25.3
85.99960	2.0
87.00754	12.1
87.04395	3.5
89.02314	5.3
95.01280	4.5
96.95918	0.7
97.02821	1.0
99.00768	15.4
101.02325	7.9
103.03891	2.0
106.56447	0.5
112.01554	0.9
113.02339	13.7
114.93977	0.5
115.00266	0.9
115.03886	3.9
119.03372	0.6
125.02384	0.7
127.03900	0.6
131.03401	12.0
133.84991	0.5
139.00293	0.7
143.03416	7.7
145.04959	0.9
150.57816	0.5
157.01297	1.8
163.03862	0.5
163.06012	2.0
165.57715	0.5
205.07098	4.9
267.15076	0.5
481.36951	3.4
641.40503	1.0
669.94226	0.7
747.34204	1.1
748.34491	0.6
893.37946	1.7
919.50195	1.7
937.51501	100.0
938.51886	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	935.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	1.8
85.02824	0.7
87.00743	0.8
89.02338	1.2
96.95906	2.0
101.02336	1.6
111.08019	1.1
113.02353	1.0
116.66856	0.5
118.33287	0.5
125.02335	0.4
125.47385	0.5
131.04501	0.8
153.81004	0.5
165.05676	0.5
165.11359	1.2
165.12769	22.7
166.13113	0.8
183.13835	89.7
184.14175	4.2
197.11777	1.5
209.11790	3.1
211.13332	1.2
227.12851	100.0
228.13210	3.9
256.87738	0.5
273.18463	0.6
279.67395	0.7
284.07184	0.5
291.19519	1.3
309.20758	7.5
327.21793	1.9
330.05032	0.6
397.13638	2.5
415.14398	1.8
510.05682	0.5
707.34656	3.0
880.93079	0.6
936.46222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	3.7
69.86279	10.4
71.01257	33.9
72.99166	3.8
73.02814	8.0
75.00744	12.2
79.27182	2.2
83.01270	6.7
83.64648	2.4
85.02831	17.9
87.00760	10.1
87.04384	2.2
89.02332	7.4
90.03425	2.1
95.01286	4.9
96.46667	2.4
96.95863	2.9
99.00757	18.1
101.02304	10.9
111.00751	2.6
113.02320	11.3
115.03902	3.2
119.03371	2.8
131.03418	4.1
143.03374	5.2
171.29343	2.2
205.07135	5.1
823.87878	2.4
899.64374	2.5
937.48090	100.0
938.48407	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05479	9.6
67.46243	8.4
68.87418	8.8
71.01260	23.5
79.95590	17.9
80.96394	33.7
81.67933	8.2
82.80466	9.7
86.64373	9.5
94.97997	9.6
99.92506	9.8
101.08652	9.8
116.92757	100.0
120.78236	9.3
211.13341	100.0
225.63963	10.3
227.84448	10.8
252.94810	9.9
255.23073	11.1
277.21692	60.8
342.34970	10.8
379.12845	11.0
397.13632	46.3
607.66077	10.9
762.38470	12.9
763.39264	12.6
869.48981	11.4
937.44202	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15575	13.6
71.01251	21.0
71.01595	3.6
72.99179	4.3
73.02805	3.3
75.45200	2.3
78.95760	2.8
80.96793	2.6
85.02811	5.9
87.00724	3.8
89.02310	11.3
96.95874	12.1
97.02806	5.0
97.06473	3.7
99.00745	16.4
101.02321	12.1
109.46693	2.7
111.07925	2.7
113.02331	8.6
123.08067	2.8
125.02306	4.4
125.09586	6.7
127.03837	3.1
127.93692	2.5
138.30669	3.1
141.56812	2.6
163.11180	12.7
165.12776	3.0
169.12143	3.3
171.10155	6.1
181.12300	16.0
183.13826	9.5
191.06960	2.7
197.11711	8.4
199.13322	11.1
207.10204	28.8
209.11801	4.8
211.13354	5.4
221.06577	3.9
225.11322	39.7
243.12383	21.2
264.33737	2.7
291.19574	5.0
309.20682	11.1
310.21036	2.8
397.13513	5.5
437.80951	3.1
529.64746	3.3
623.24988	3.4
641.27325	4.6
672.42279	3.0
809.44708	3.2
810.43982	4.0
915.46136	4.0
933.46936	100.0
934.47449	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	933.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	2.1
67.08819	0.9
71.05022	1.0
71.05371	2.4
73.35933	0.9
85.55664	0.8
88.17298	1.0
107.01272	2.5
134.83900	0.9
145.09737	0.9
151.00278	8.7
171.04465	1.9
175.00267	1.1
175.03937	1.3
178.99719	2.5
187.03839	1.3
199.03969	3.9
215.03461	2.5
226.02740	0.9
227.03384	4.3
243.02965	6.1
255.03003	4.6
270.99393	1.6
271.02466	75.4
272.02817	5.8
299.01965	100.0
300.02655	27.8
301.03488	20.4
462.07996	13.9
463.08618	3.5
487.06033	1.1
615.33569	0.9
697.15436	1.0
771.19849	35.3
772.19897	5.2
933.25104	28.4
934.24872	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	933.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24854	0.2
67.01721	0.3
67.32339	0.2
67.62086	0.2
68.99649	0.6
69.03281	0.6
70.44245	0.7
71.01254	7.9
72.99184	1.9
73.02806	1.0
75.00747	5.3
83.01195	0.6
85.02826	8.3
87.00754	3.3
89.02312	1.7
89.03800	0.4
91.03852	0.3
93.03289	0.3
95.01258	2.1
96.06960	0.2
97.02792	0.4
99.00762	4.0
101.02336	1.2
103.00182	0.8
105.38501	0.2
106.31338	0.2
109.02755	0.2
111.00720	0.5
112.01514	0.3
113.02332	10.9
114.83215	0.2
115.00201	0.7
117.01833	1.0
117.03351	1.9
119.03333	0.3
123.08038	1.3
129.01833	1.0
131.03369	0.4
132.01994	0.3
133.02759	0.6
134.03636	22.2
135.04286	1.1
149.05035	0.2
149.05998	2.3
151.07541	0.4
157.01266	0.3
160.01578	2.0
161.02319	1.2
161.04405	0.5
161.09669	1.1
163.11185	0.2
168.26619	0.2
175.02351	0.9
175.03864	2.8
179.03320	0.8
179.10643	0.4
184.83043	0.2
193.04991	13.9
194.05219	0.5
196.31622	0.2
205.07095	0.3
205.12311	1.1
207.04982	0.6
223.13425	1.4
231.05049	0.7
235.54774	0.3
236.08937	0.2
241.12219	0.3
241.14429	2.7
249.06134	9.3
250.06371	0.3
252.06345	0.5
253.07141	0.5
265.87088	0.2
267.07150	27.1
268.07492	1.0
279.03519	0.2
383.09494	0.2
385.18475	1.5
395.91345	0.2
403.19687	2.5
404.20093	0.3
404.82315	0.2
411.09045	0.3
425.10944	1.0
443.11945	100.0
444.12305	8.8
445.20804	5.7
446.21194	0.7
536.24634	0.3
610.70258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05290	2.6
87.64590	0.8
92.50410	1.1
107.01192	1.1
144.76427	1.0
151.00226	4.0
178.99825	1.3
187.04012	1.1
203.03383	1.8
213.01846	1.0
215.03395	1.9
217.01241	0.9
231.02881	1.5
241.01477	1.4
243.02972	3.7
259.02603	4.3
271.02414	6.4
287.01978	46.3
288.02200	2.6
299.01880	2.5
315.01465	100.0
316.02036	13.1
317.03098	4.3
342.17441	1.0
366.02490	0.9
478.00928	1.3
478.07535	19.0
479.08051	3.8
771.19916	6.6
933.25110	35.3
934.25500	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	933.252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00180	3.6
69.91555	16.2
104.18382	2.4
107.01270	4.0
110.00006	5.2
111.00768	4.0
125.02312	3.2
139.00252	10.7
149.02376	6.4
151.00281	18.3
159.04395	3.7
163.87350	2.9
164.01074	3.8
164.98140	3.5
165.98953	15.6
166.99777	5.0
171.04393	3.7
175.00279	11.6
177.99042	4.2
178.99776	10.1
187.03906	4.3
189.01933	4.1
199.03964	5.3
201.01898	2.9
203.03242	2.8
214.02594	4.8
215.03464	7.1
227.03462	6.9
231.02985	8.9
241.01436	5.7
242.02130	4.4
243.02951	11.1
254.01982	5.7
255.02934	11.3
259.02463	6.6
269.00909	3.3
270.01651	4.0
271.02457	35.0
273.03821	2.8
287.02014	52.0
288.02478	5.5
298.00934	4.5
299.01917	27.1
300.02762	6.4
301.03510	4.7
315.01474	95.4
316.02197	56.1
317.02893	19.5
358.40002	2.6
433.07834	3.8
461.07318	52.3
462.07870	5.0
463.08142	2.7
477.06787	2.9
478.07626	17.7
479.08182	4.9
514.36572	2.8
771.19867	100.0
772.20514	17.2
933.25287	39.4
934.25482	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	931.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06206	5.7
70.06619	3.7
71.01253	19.3
72.99188	7.9
73.02825	2.5
73.89352	1.9
75.00750	14.1
76.97044	1.9
82.47043	2.0
85.02833	15.4
87.00755	6.1
87.83166	1.9
89.02294	2.9
95.01276	5.3
96.95888	8.9
99.00760	13.8
101.02330	5.5
103.00240	2.6
113.02358	14.7
115.00254	4.0
117.01804	1.8
117.03343	21.0
119.04912	39.9
120.05257	3.3
121.02926	2.4
129.01772	2.8
133.73108	2.2
142.99716	2.9
145.02859	100.0
146.03247	9.3
163.03922	25.2
171.10187	3.2
174.01601	3.6
175.02394	4.0
209.11795	2.4
211.13324	13.1
225.11261	5.3
249.06122	5.5
253.05203	2.7
253.09216	2.9
269.21234	5.7
281.04596	7.0
287.22263	10.0
304.46927	2.1
327.21777	7.9
415.24884	4.3
420.02905	2.5
431.26691	4.7
433.25949	9.8
434.26224	8.6
435.26257	5.8
449.27554	5.0
501.36444	1.9
563.28894	2.0
637.32635	3.4
639.33154	2.2
647.38123	5.6
648.38013	10.7
649.38373	8.0
683.32794	6.3
741.35919	5.5
887.39172	81.6
888.39282	12.5
931.44678	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	933.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00199	11.5
68.55572	6.0
83.01280	5.5
98.19775	12.5
107.01263	15.1
111.00764	14.9
121.02866	10.2
125.02367	5.1
139.00273	21.6
142.73872	5.7
151.00258	39.7
152.00934	7.2
163.00278	7.9
165.98946	6.9
166.99658	5.8
168.00523	6.6
177.67593	5.1
178.99786	18.9
181.01228	6.1
203.03419	7.7
215.03485	10.5
227.03540	12.8
231.03000	7.7
243.02974	16.8
255.02914	31.0
259.02448	12.7
271.02496	60.2
272.02850	7.1
283.02533	20.9
284.03143	16.7
285.03891	30.5
287.02023	79.7
298.00992	6.0
299.01886	64.6
300.02747	12.1
301.03497	18.5
315.01465	100.0
316.02090	28.8
317.02921	12.1
425.93323	5.5
447.09293	9.0
461.07230	54.0
462.08145	11.7
478.07635	19.8
593.14526	7.1
596.05365	5.6
771.19836	51.5
772.20160	9.1
814.68713	6.6
933.25024	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93793	4.1
80.56210	0.9
83.01302	1.0
107.01291	2.0
112.93789	0.8
113.59608	0.7
151.00232	4.8
152.01003	0.8
152.38715	0.9
159.19911	0.9
175.42041	0.8
178.99706	1.6
183.04454	1.7
199.03859	3.8
214.02556	1.3
215.03511	1.4
227.03430	4.4
241.01401	1.3
242.02190	10.1
243.02969	18.9
244.03276	1.1
245.00955	3.1
254.02419	1.1
255.02989	8.2
257.04559	3.1
270.01688	16.7
271.02463	27.2
272.02908	3.4
285.04016	9.0
286.04657	2.6
287.05667	1.8
287.22122	0.9
298.01208	3.7
299.01971	53.3
300.02686	18.6
313.03558	38.8
314.04315	65.9
315.01300	1.4
315.05035	26.8
316.05402	1.9
356.05347	1.4
408.97571	1.0
461.07507	1.4
476.09674	3.6
538.71667	0.9
611.46674	1.1
769.21973	100.0
770.22552	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	931.252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00180	0.6
68.11182	0.4
69.51212	4.1
71.24494	0.4
82.75883	0.4
83.01252	1.2
91.01789	0.4
101.25905	0.4
106.38354	0.5
107.01272	2.6
108.02075	1.6
121.02782	0.7
132.02069	0.7
133.02879	0.9
135.00714	0.5
148.01550	2.1
151.00278	6.6
152.00990	0.4
160.01590	2.4
161.02345	2.9
163.00301	1.3
164.01048	0.7
169.01382	0.8
175.03914	1.5
178.99809	4.5
187.04033	0.6
189.01982	0.5
199.03928	2.0
201.01860	0.5
211.04008	0.7
215.03473	1.1
216.04178	0.8
226.02614	2.3
227.03461	4.1
243.02959	13.9
244.03514	1.0
254.02142	2.5
255.02986	31.6
256.03357	1.8
271.02490	73.8
272.02960	6.0
273.04071	0.8
283.02585	1.1
284.03235	1.4
285.04236	0.7
299.02008	6.6
300.02765	100.0
301.03323	11.4
302.03909	0.5
314.04160	0.5
315.05029	0.6
333.17578	0.6
517.50085	0.4
532.50970	0.5
534.63806	0.4
593.14581	0.5
737.19641	0.5
745.24872	0.6
755.20349	16.8
756.21521	2.3
762.64252	0.5
769.22375	3.3
781.18628	0.9
799.79071	0.5
931.25140	30.1
932.25696	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	931.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31365	11.3
69.31792	4.3
80.63039	1.5
105.20161	1.7
117.03391	3.4
132.02094	7.7
133.02823	4.9
145.02776	2.3
151.00291	5.7
154.73102	1.5
160.01573	27.7
161.02423	15.0
167.12958	1.5
169.01309	2.4
175.03928	15.7
178.99722	2.0
183.04427	3.6
211.03957	3.1
227.03438	18.8
235.34740	1.6
243.02992	2.8
255.02966	71.5
256.03497	8.3
257.04422	1.6
271.02396	6.3
283.02493	71.2
284.03238	65.7
285.03967	23.8
286.04321	2.2
299.01923	3.8
299.05634	1.8
300.02533	2.0
313.03528	3.0
314.04242	5.0
315.04782	3.2
326.04193	2.0
341.68341	1.6
400.03250	1.7
415.28687	1.7
446.08722	7.5
449.83133	1.6
501.98245	1.6
593.15326	8.3
607.16321	2.8
769.19958	100.0
770.20404	16.8
931.25635	6.4
940.89624	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	929.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.0
71.01256	21.9
72.99162	1.7
73.02827	2.6
75.00778	0.8
75.91371	0.8
80.57478	0.7
80.87908	0.8
83.01251	2.2
85.02814	4.2
87.00743	3.8
89.02317	12.8
95.01281	1.5
96.95903	1.7
97.02853	2.8
98.20554	2.0
99.00757	1.0
101.02319	14.4
103.31402	0.7
104.03455	0.8
113.02334	7.8
115.44739	0.7
119.03394	3.4
125.02332	7.1
143.03416	2.7
155.10715	0.8
161.04457	2.5
163.42085	0.9
179.05475	3.3
183.13853	7.3
193.12300	1.6
211.13341	100.0
212.13657	5.0
217.07248	1.1
221.06677	1.1
235.08188	5.4
277.21732	59.2
278.22006	3.7
287.07663	1.8
305.08847	1.9
317.88983	0.8
323.09561	1.2
333.48502	0.8
379.12393	9.8
380.12387	0.9
397.13513	43.1
398.13840	2.5
415.14532	8.5
473.64569	0.8
549.13367	0.9
591.26556	4.4
609.27264	4.0
657.34912	1.2
675.36670	2.7
963.20972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4956
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
67.06651	0.4
68.99675	1.8
69.03310	0.9
69.88198	2.9
71.01255	32.7
71.49371	0.4
72.99184	3.2
73.02818	7.0
75.00748	14.2
83.01257	2.6
83.04893	2.0
83.84158	0.5
85.02822	20.7
85.99980	1.9
86.03165	0.7
87.00756	11.1
87.04400	3.8
89.02322	5.6
95.01252	3.2
96.95883	1.0
97.02834	1.0
99.00758	14.3
99.04412	1.0
101.02310	4.9
109.02845	0.6
111.00762	0.8
112.01555	0.6
113.02334	13.3
115.03905	3.6
116.92793	0.7
119.03423	0.5
119.05003	0.4
125.02341	0.5
131.03397	10.2
139.00272	0.7
143.03389	5.9
145.04984	0.9
157.01309	1.5
163.06044	1.7
193.05011	0.7
205.07152	3.7
269.04364	0.8
441.33737	1.0
471.34665	2.3
473.36450	0.9
555.36517	0.8
909.48712	1.0
927.49597	100.0
928.49939	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	929.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	2.0
69.03317	1.3
70.68830	2.5
70.69184	1.9
71.01257	25.8
72.79623	1.0
72.99182	4.6
73.02824	5.6
75.00748	12.8
83.01269	2.8
85.02824	17.5
85.99994	1.1
87.00764	11.1
87.04404	2.8
89.02311	6.2
95.01264	2.8
95.09034	0.9
99.00757	9.5
101.02352	6.0
103.03888	1.4
106.71453	1.0
113.02321	10.2
115.03905	3.3
131.03403	9.8
135.02835	2.8
143.03392	5.9
143.97513	1.1
163.06039	1.2
183.13866	3.7
185.86656	1.3
205.07135	3.9
211.13370	2.4
291.19855	1.3
293.21216	2.0
313.49164	1.1
329.01361	1.1
437.34335	4.0
597.37689	1.3
681.11853	1.4
739.43152	4.1
893.49054	100.0
894.49115	19.6
929.47400	2.8
930.48151	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	927.4955
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.99677	1.5
69.03294	1.0
69.42312	8.3
71.01254	28.8
72.99187	3.9
73.02818	3.1
75.00749	16.4
75.31115	0.8
75.95856	0.8
83.01262	4.0
85.02824	15.8
85.99952	1.0
87.00755	3.4
87.04348	1.0
89.02312	9.9
95.01283	5.1
96.95871	1.8
99.00750	14.9
101.02317	12.6
113.02333	11.9
119.03361	2.4
123.56193	1.0
131.03395	3.1
136.01511	1.4
145.02867	1.1
149.02321	1.5
150.03113	2.0
151.03880	1.8
165.05479	3.3
175.04013	1.4
180.04195	0.9
195.06554	1.9
255.06548	2.1
270.09027	1.2
270.20850	1.0
271.09769	3.0
273.30551	1.1
284.03186	1.3
300.06049	1.3
927.49603	100.0
928.49896	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	925.517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.5
68.99691	2.8
69.03313	1.0
71.01257	35.3
72.01569	0.5
72.99178	4.2
73.02821	10.5
75.00747	13.0
81.03315	0.4
83.00800	0.5
83.01263	5.7
85.02827	19.8
85.99977	2.3
86.00453	0.4
86.03133	0.3
87.00750	10.7
87.04391	3.3
89.02320	8.4
95.01269	4.8
97.02829	1.7
99.00759	13.4
99.04394	0.4
101.02325	13.9
103.03890	3.2
111.00763	0.7
112.01541	0.6
113.02339	12.3
115.00287	0.6
115.03893	4.5
119.03371	1.4
119.04147	0.3
125.02354	0.7
127.03893	0.3
131.03407	6.4
139.00288	0.7
143.03406	6.0
145.04918	0.8
157.01311	0.5
161.04430	1.9
163.06020	2.6
194.38576	0.3
205.07132	4.8
229.25089	0.4
233.06744	0.3
235.06355	0.3
247.79688	0.3
390.21606	0.3
439.35861	4.9
440.36255	0.9
472.72055	0.3
509.40094	2.9
510.40372	0.6
553.39001	0.6
581.38263	0.4
599.39435	0.8
717.46082	0.5
863.52386	0.5
907.51135	2.2
908.50067	0.4
925.51666	100.0
926.52026	24.5
939.58759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	1.6
69.03332	0.9
70.55004	1.0
70.55329	1.1
71.01260	24.8
72.99181	3.3
73.02817	5.7
75.00746	9.4
83.01243	2.1
85.02827	19.0
85.99955	1.8
87.00755	10.3
87.04381	1.7
89.02318	4.3
95.01295	2.7
96.95882	0.6
97.02818	0.6
99.00764	15.2
101.02335	3.5
103.03873	1.3
105.53657	0.6
112.01527	1.0
113.02335	11.2
113.03084	1.1
115.00266	0.7
115.03927	3.0
116.92744	0.6
119.03410	0.8
123.43865	0.6
125.68784	0.6
131.03398	7.7
139.00313	0.5
143.03419	4.5
145.04918	1.0
157.01279	0.8
163.06058	0.8
205.07092	3.3
260.41742	0.7
396.25922	0.5
423.32620	1.9
437.30414	0.8
439.32236	1.5
453.33737	0.9
469.33374	1.6
471.35120	4.9
486.68262	0.6
534.40350	0.6
553.35559	1.2
567.36890	0.8
585.38007	2.4
629.36938	5.3
658.67841	0.6
699.40967	1.1
925.48077	100.0
926.48407	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	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	1.6
69.03329	1.1
70.24151	2.4
71.01254	28.1
72.49734	0.5
72.99182	3.0
73.02821	6.0
75.00356	0.7
75.00750	9.0
77.30874	0.4
83.01262	2.3
85.02827	17.2
85.99960	1.9
87.00745	9.1
87.04406	2.3
89.02330	3.7
95.01253	2.5
96.95872	0.8
97.02837	0.6
99.00759	16.5
99.04375	0.7
101.02325	3.5
103.03889	0.8
111.00755	0.7
112.01575	0.5
113.02332	11.7
114.97244	0.5
115.00247	0.6
115.03886	2.7
119.03431	0.7
119.15750	0.6
125.02310	0.7
127.03955	0.5
131.03395	8.4
136.01556	0.6
143.03391	5.0
145.04938	1.1
150.03142	1.8
150.76271	0.5
151.03891	0.5
157.01321	1.5
158.45689	0.5
161.04463	0.5
161.57919	0.5
162.03152	0.5
163.06087	0.6
165.05434	1.6
175.03926	0.5
195.06564	1.4
195.13794	0.6
195.40948	0.5
203.73289	0.5
205.07068	2.3
238.38246	0.5
267.07437	0.6
375.30142	0.5
434.06940	0.6
469.33197	2.6
471.34839	3.7
513.35815	0.9
539.36987	1.1
553.35168	1.7
567.37323	0.7
585.38135	3.8
585.45898	0.6
629.36932	6.6
630.37360	1.1
699.41626	0.8
717.41791	0.6
863.46613	0.8
896.73547	0.6
907.47479	1.8
925.48035	100.0
926.48309	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	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07269	0.5
68.99681	1.8
69.61975	4.1
71.01254	33.6
72.99184	3.7
73.02812	3.5
75.00748	17.5
83.01247	4.7
85.02830	18.3
85.99952	0.9
87.00768	2.7
89.02314	10.4
95.01266	5.0
96.95903	1.4
98.19918	1.1
99.00761	15.5
101.02325	13.9
111.00746	0.6
112.01534	1.2
113.02342	11.1
119.03403	2.5
120.15901	0.5
126.34769	0.5
131.03410	2.9
134.03615	0.9
139.00287	0.6
140.54358	0.5
142.30179	0.6
150.03166	0.7
157.01308	1.6
161.04437	1.0
188.28920	0.6
190.51669	0.6
210.18092	0.6
251.90584	0.5
267.07123	0.9
313.16293	0.5
452.33997	0.5
539.38025	0.8
556.88068	0.6
585.37598	0.8
645.94708	0.5
925.48053	100.0
926.48431	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	925.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59644	0.6
68.99696	1.4
69.03321	1.2
70.00499	2.7
71.01257	19.1
72.99172	2.7
73.02822	6.2
73.79491	0.5
75.00352	0.9
75.00751	9.9
77.36803	0.5
83.01263	1.3
85.02340	1.0
85.02827	12.9
85.99985	0.8
87.00751	7.8
87.04395	2.4
89.02325	2.0
95.01250	2.3
97.02774	0.5
99.00768	10.7
101.02323	2.5
103.03883	1.0
113.02344	6.7
115.03885	2.2
116.90240	0.6
131.03389	5.3
143.03394	3.9
163.06030	0.6
205.07101	2.1
469.33258	1.9
471.34769	3.9
513.35992	1.3
539.37518	2.4
567.35883	0.6
585.37903	3.5
603.38641	0.8
629.36908	7.3
630.37231	0.8
699.40619	1.1
717.42047	1.3
754.30377	0.6
780.72797	0.6
863.47668	1.1
907.46454	1.5
910.69318	0.6
925.48071	100.0
926.48462	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	925.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14314	0.9
68.99692	1.4
69.57914	5.5
71.01255	8.8
72.99184	4.9
73.02824	1.3
75.00749	35.4
83.01250	1.2
85.02825	17.7
87.00751	3.5
89.02309	1.9
92.73065	0.9
95.01260	2.5
96.95882	2.5
98.95472	2.1
99.00748	3.8
101.02323	2.6
104.67488	0.9
111.00787	1.0
113.02327	10.8
115.00266	1.2
116.92738	1.0
117.01793	1.0
129.01784	1.4
131.03368	1.1
191.05515	2.7
285.08118	0.8
437.34445	1.1
455.35321	17.3
456.35303	2.0
497.36365	5.7
569.38513	7.8
587.38965	1.2
631.38544	47.2
632.38812	7.1
632.58191	1.0
673.40045	1.5
925.48096	100.0
926.48608	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	925.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	4.4
69.99559	1.3
71.01254	37.2
71.58044	2.8
72.99152	2.4
73.02827	4.8
75.00745	8.8
83.01247	4.3
85.02827	17.5
87.00733	3.1
89.02319	9.2
95.01263	4.0
96.95905	1.4
99.00764	16.4
101.02329	14.8
111.34400	1.3
113.02343	10.9
131.03398	12.6
139.00226	1.9
143.03436	1.8
149.04414	1.9
161.04449	2.6
191.05476	5.8
230.49506	1.6
233.06442	2.6
265.80203	1.3
356.12192	1.4
453.33606	5.4
455.35364	5.1
523.37689	1.8
555.44885	1.7
569.38361	2.6
595.36487	1.8
613.37439	5.0
731.44586	1.7
907.47449	4.1
925.48291	100.0
926.48578	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	925.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	3.1
69.03345	1.5
71.01261	28.6
71.58243	2.4
72.44267	1.3
72.99185	5.0
73.02816	8.4
75.00748	15.3
80.37419	1.4
83.01257	4.0
85.02821	20.2
85.99970	2.1
87.00760	9.3
87.04407	2.5
89.02319	6.7
95.01252	2.3
96.95880	4.1
99.00760	16.3
101.02307	4.9
113.02349	9.4
115.03873	2.1
116.92709	1.6
119.03403	1.9
131.03391	6.1
134.04573	1.9
143.03406	6.5
157.01389	1.8
205.07095	2.8
245.69426	1.4
325.25458	1.9
443.35431	1.9
447.12277	1.6
448.78244	1.6
469.32605	1.8
471.34702	1.5
555.26373	1.4
557.38519	2.6
585.38568	1.8
592.94800	1.5
629.36389	1.8
730.21252	1.6
924.51019	1.7
925.48834	100.0
926.49066	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	925.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78497	0.7
68.99683	2.4
69.03341	1.3
70.87611	0.8
71.01254	28.0
71.37898	2.3
72.99167	3.5
73.02814	7.0
75.00753	8.0
79.37055	0.7
83.01241	2.6
85.02827	16.2
85.99956	2.6
86.18980	0.8
87.00749	9.1
87.04373	1.9
89.02319	4.7
95.01280	4.0
96.95869	1.8
97.02830	1.0
99.00758	18.5
101.02321	2.8
103.03895	0.9
111.00705	0.8
112.01522	0.8
112.23289	0.8
113.02332	11.4
115.00211	1.2
115.03870	3.0
119.03337	1.0
127.03873	0.9
131.03438	6.1
143.03395	4.9
157.01230	1.4
194.67020	1.3
205.07071	3.5
225.39940	0.7
268.66153	0.8
357.30981	0.9
375.43286	0.9
407.33304	1.6
469.33112	2.2
471.34985	4.0
472.34631	1.4
539.37042	1.7
541.77582	1.0
553.35333	2.7
585.38202	1.9
629.37000	9.6
717.41504	1.7
719.40179	1.1
863.48071	2.4
907.46967	2.0
925.48059	100.0
926.48590	16.6
955.77612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66958	0.3
67.01751	0.9
68.99690	2.6
69.03335	1.4
71.01256	35.5
72.99183	4.3
73.02823	7.6
75.00748	12.5
81.03310	0.6
83.01259	5.8
83.01722	0.6
84.02048	0.3
85.02824	20.9
85.99966	1.8
87.00755	10.1
87.04401	2.7
89.02321	7.7
95.01266	4.8
96.95872	0.5
97.02819	1.3
99.00759	13.0
99.04388	0.4
101.02325	12.5
103.03879	2.7
111.00755	1.2
112.01532	0.6
113.02334	12.4
115.00263	0.5
115.03909	2.9
116.49022	0.3
119.03391	1.5
125.02345	1.0
127.03869	0.4
129.01801	0.4
131.03398	5.8
139.00269	0.7
143.03404	5.8
145.04974	1.0
151.08949	0.3
157.01332	1.0
161.04518	1.9
163.06010	2.1
165.37883	0.3
170.43600	0.3
205.07101	3.8
233.06650	0.3
259.13574	0.3
291.19861	0.3
309.20624	0.6
342.49811	0.3
405.28146	0.4
421.31036	1.0
435.33463	0.3
437.34277	5.6
438.34521	0.7
507.38510	2.7
508.38834	0.3
551.37244	0.8
579.36865	0.5
597.37994	1.1
665.43066	0.3
715.44385	0.4
861.49664	0.7
905.49017	2.6
923.50128	100.0
924.50458	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	923.5011
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
68.99686	1.7
69.03336	1.7
71.01254	32.4
72.99179	2.9
73.02811	7.6
75.00751	13.3
83.01257	3.8
85.02822	19.1
85.99963	2.8
87.00755	11.7
87.04403	2.5
89.02325	6.3
95.01272	2.9
97.02886	0.9
98.20591	1.9
99.00761	12.1
101.02316	6.2
101.98957	0.8
103.03876	1.4
113.02337	9.5
115.03883	3.4
125.02357	0.9
131.03391	8.7
143.03394	7.4
158.93527	0.9
163.05984	0.9
167.62675	0.8
177.87827	0.7
205.07126	3.6
237.11385	0.9
247.77916	0.8
265.10489	2.3
277.21661	2.2
306.80377	0.8
467.35370	3.0
795.81750	1.0
804.12085	0.9
905.49170	1.2
923.50085	100.0
924.50256	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	923.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99688	1.0
69.03305	0.8
71.01255	28.3
72.50691	0.7
72.99165	2.9
73.02823	6.0
75.00739	7.0
83.01247	2.1
85.02820	17.2
85.99970	1.8
87.00745	8.9
87.04378	2.7
89.02316	4.2
95.01274	2.6
96.08575	0.7
96.95895	0.8
99.00163	1.5
99.00761	19.4
101.02337	5.0
104.91492	0.7
112.01530	1.0
113.02351	7.4
115.03880	3.6
117.22710	0.9
126.83258	0.9
131.03389	7.1
139.00269	1.2
143.03384	5.3
145.04968	1.0
157.01299	1.7
165.76030	0.9
197.32542	0.8
205.07080	1.8
207.52286	0.8
373.62231	0.9
378.68777	0.8
423.32425	1.0
451.32153	2.1
469.33261	8.0
470.33551	1.2
479.31995	1.1
517.34338	0.9
551.33649	1.3
583.36871	3.7
601.37738	1.4
627.35016	6.1
697.39465	1.4
715.40479	1.3
905.44965	1.0
910.68787	1.1
923.46484	100.0
924.46985	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	923.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	1.5
69.03333	1.2
71.01257	26.5
72.99185	2.8
73.02821	6.4
73.03402	0.7
75.00751	9.1
83.01260	2.8
83.04902	1.3
85.02831	16.4
85.99966	2.0
87.00758	10.0
87.04400	2.3
89.02306	2.4
95.01282	3.2
96.95872	4.5
99.00763	18.9
101.02345	3.8
103.03862	0.8
111.00747	0.7
113.02336	9.6
115.03893	3.2
116.92713	1.0
123.08031	0.8
131.03381	6.5
143.03419	3.2
145.04927	1.0
157.01358	1.1
178.37944	0.7
205.07109	2.1
246.15585	0.7
270.58746	0.7
467.31635	1.3
469.33176	2.5
488.98276	0.7
537.35809	1.8
551.33429	1.5
583.36206	4.7
627.35376	9.2
697.39917	1.2
715.40552	1.5
905.44946	1.1
923.46533	100.0
924.46808	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	921.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	0.6
68.99696	2.4
69.03317	1.4
69.68213	2.8
71.01251	24.5
72.99178	2.5
73.02809	1.7
75.00747	15.1
80.96384	0.5
83.01244	2.9
85.02823	15.4
85.99986	0.5
87.00754	4.1
87.37182	0.5
89.02319	8.5
95.01263	5.2
96.95879	0.7
97.02828	2.6
99.00753	16.0
101.02324	10.8
106.12678	0.4
112.01521	0.8
113.02332	10.1
115.00227	0.6
116.92760	0.7
119.03381	1.6
120.45177	0.5
125.02309	4.3
139.00246	1.5
143.03368	0.6
157.01337	1.2
161.04472	1.0
168.44162	0.5
171.10275	0.6
216.55287	0.6
399.54834	0.5
497.35413	0.5
756.81543	0.5
822.15521	0.6
921.48517	100.0
922.48822	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	921.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36900	22.2
71.01255	14.6
73.02817	2.7
83.01268	2.9
85.02829	4.0
87.00747	6.7
89.02313	7.1
96.95890	3.8
97.02834	8.4
99.00770	18.5
99.92435	3.3
100.58123	2.4
101.02325	9.5
104.25453	2.3
104.56193	2.1
113.02332	4.1
116.92759	33.4
119.04913	3.1
125.02328	5.5
125.09585	5.3
127.40285	2.3
142.02582	2.4
147.25313	2.5
163.11232	10.0
164.53888	2.6
164.81038	2.3
181.12270	16.8
197.30177	2.2
197.54315	2.5
207.10217	46.8
207.13312	2.7
208.10474	3.2
225.11282	65.1
243.12390	22.7
255.23264	64.1
256.23624	2.9
379.12195	3.3
397.13464	11.1
605.24384	21.7
623.25543	8.2
861.48511	100.0
862.48700	11.7
890.37878	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	921.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	3.2
71.01255	30.5
72.99162	2.5
73.02819	8.3
75.00729	12.0
81.83569	2.4
83.01267	4.1
85.02819	20.3
87.00746	11.9
89.02316	6.6
90.70776	2.6
95.01236	2.7
96.68974	2.3
96.95883	3.0
97.02861	2.6
98.87822	2.9
99.00783	12.0
101.02308	6.6
102.56123	2.4
113.02320	7.2
114.93259	7.8
115.03883	4.1
131.03403	8.6
143.03427	5.5
145.02888	2.8
205.07169	2.7
219.54613	2.6
233.99129	2.5
465.37186	3.4
534.54364	2.4
704.31757	2.8
921.52106	100.0
922.52246	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	921.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61096	0.3
69.61520	0.3
70.27991	0.1
71.01249	0.2
72.99161	0.2
79.95610	3.4
83.30200	0.1
85.02805	0.1
94.55188	0.1
96.95889	100.0
97.95816	0.2
97.96394	0.1
97.99586	0.1
98.20538	0.1
113.02345	0.1
113.92504	0.1
114.93286	0.1
150.03117	0.1
160.01578	0.2
165.05536	0.2
175.03879	0.2
181.19960	0.1
193.03450	0.1
193.05054	0.1
270.35077	0.1
285.78119	0.1
337.09259	0.2
620.38281	0.1
629.24426	0.1
823.41742	0.1
824.41498	0.1
856.62354	0.1
921.37341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02848	1.3
70.84127	1.1
71.01267	5.3
75.00756	1.5
82.92161	1.2
85.02832	2.9
87.00743	1.5
89.02277	1.2
93.03344	1.8
95.01252	2.0
96.95934	2.8
99.00770	1.8
101.02345	3.4
105.03350	1.3
113.02345	2.7
121.02877	3.4
122.03677	5.6
132.02090	20.8
133.02869	3.3
134.03654	21.8
135.04395	2.0
136.01549	5.5
137.02350	2.6
145.32632	1.1
146.03587	1.4
149.02350	12.9
149.05981	3.7
150.03148	34.1
151.03929	7.1
160.01582	71.7
161.02176	3.2
164.04684	5.5
165.01910	1.9
165.04124	1.9
165.05502	28.5
175.00404	6.2
175.03941	73.5
176.04347	3.2
177.05539	2.8
178.02626	2.2
179.07036	4.3
180.04288	2.7
189.05634	1.3
190.02650	13.8
190.06340	1.8
193.04977	21.8
195.06586	14.0
205.04987	14.7
209.06078	1.4
217.04945	1.6
222.05238	1.6
223.06071	3.6
229.81387	1.4
259.39709	1.3
267.06561	1.6
268.07382	4.4
283.06271	1.8
283.09848	5.1
284.06857	2.0
296.06931	3.1
297.07443	2.1
297.11108	1.4
299.09219	2.6
308.06940	3.1
309.07919	3.1
311.09210	1.8
312.06418	5.9
312.09637	1.8
322.08270	2.0
323.09317	5.7
324.06329	2.7
324.09955	5.7
325.07138	1.3
325.10864	2.0
327.08688	12.2
337.09299	100.0
338.09732	5.4
339.08774	19.2
339.12399	2.6
339.31253	1.3
340.09570	1.2
341.10342	1.7
342.11151	12.7
343.11749	3.5
354.11038	4.8
355.11685	3.4
357.13510	20.9
358.13568	1.9
367.10309	20.5
369.13458	17.0
370.13461	1.2
505.18539	3.8
533.16681	31.6
534.17432	2.9
535.19781	10.3
553.20703	1.8
583.21924	11.1
921.31982	16.7
922.32141	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	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88308	1.5
69.03321	1.6
71.01257	100.0
71.08224	1.4
72.99187	2.7
73.02821	5.6
74.78216	1.3
78.95786	1.6
80.96396	3.8
81.03323	1.6
83.01270	3.0
85.02837	5.3
87.00759	7.2
89.02325	14.4
95.01249	2.6
96.95899	2.0
97.02837	6.5
98.20567	2.9
98.43382	1.3
99.00754	4.0
101.02325	17.9
109.06509	6.7
111.04376	1.7
113.02336	10.3
119.03394	5.4
119.14755	1.3
125.02358	8.0
125.09642	3.3
127.11178	2.6
131.03410	1.3
141.01877	1.8
143.03401	3.6
149.04503	1.4
161.04504	2.6
161.09601	1.5
163.11198	3.7
164.98433	1.4
171.10176	49.7
171.40422	1.3
172.10567	1.4
179.05510	4.0
181.12244	2.0
190.98932	1.3
199.09721	10.6
201.11273	17.6
207.10199	20.9
208.10670	1.4
215.12971	1.3
221.06578	1.5
225.11295	15.0
229.27992	1.4
230.92555	1.3
235.08133	6.7
241.55128	1.3
243.12325	1.8
253.09418	2.4
277.21729	62.2
278.21970	3.6
379.12411	4.4
397.13504	32.4
398.13870	3.3
415.14655	8.5
541.66016	1.4
623.25244	2.1
883.46844	9.0
884.48083	2.3
901.48651	2.5
919.48822	16.1
920.48767	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	100.0
71.57476	5.3
73.02808	7.0
75.00767	3.9
78.95762	4.1
80.96406	9.1
85.02818	7.8
87.00739	3.7
89.02325	25.0
96.95885	23.5
97.02839	7.9
99.00731	5.3
101.02334	21.0
109.06454	10.0
111.00703	3.9
113.02322	8.0
115.57873	3.9
117.11415	3.5
118.85440	3.2
119.03368	5.9
125.02347	5.9
125.09543	3.6
127.11164	4.5
138.19287	3.4
160.07619	3.6
161.04466	4.9
163.11153	3.4
171.10184	62.1
179.05530	9.5
179.47699	3.5
181.12119	5.5
197.11810	5.4
199.09697	14.3
199.13321	4.1
201.11266	37.8
203.44716	3.4
207.10196	32.5
211.13423	8.1
215.54361	3.2
221.06401	3.2
225.11314	22.1
230.71384	3.6
235.08240	7.5
243.12248	6.2
255.62511	3.2
263.56781	3.3
264.06653	3.5
265.14676	7.3
277.18918	6.5
277.21741	73.2
278.22141	4.4
294.11508	3.7
309.20703	10.0
379.12469	4.1
397.13580	39.2
415.14648	17.3
470.38861	3.3
597.23560	7.6
623.25964	6.3
729.20905	3.7
883.46533	12.4
919.48645	35.8
920.49133	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	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94712	16.3
71.01260	100.0
72.99191	3.1
73.02835	5.1
80.96385	3.7
83.01264	4.0
85.02831	7.4
87.00768	5.8
89.02320	19.7
96.95907	22.0
97.02847	6.6
99.00788	5.4
101.02322	18.2
109.06493	5.8
113.02337	13.7
114.11243	3.6
119.03381	5.0
125.02325	8.6
125.09646	5.1
141.10191	3.1
142.60095	2.7
161.04501	4.0
162.98267	2.7
163.11203	5.1
171.10178	52.0
179.05536	5.7
181.12117	3.4
197.11787	5.0
199.09686	15.1
201.11259	24.5
207.10239	30.2
211.13280	4.9
216.66670	2.9
225.11304	23.7
235.08237	4.4
243.12445	4.9
243.96622	2.7
251.29239	2.7
253.09267	4.1
265.14825	6.0
277.21741	62.1
278.22208	5.1
291.19885	3.3
293.21158	3.2
309.20883	6.3
354.45746	3.1
379.12552	5.3
397.13574	37.1
415.14505	14.1
597.24097	3.8
883.46643	10.3
901.48407	3.8
919.48901	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	919.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88522	1.6
68.99690	1.4
69.03318	1.5
71.01257	100.0
71.57253	3.3
72.86774	1.5
72.99188	2.4
73.02827	4.0
78.95773	3.2
79.64547	1.4
80.96416	2.2
82.12556	1.5
83.01265	2.0
83.04918	2.2
85.02821	8.9
87.00755	6.8
89.02334	17.7
95.04906	1.4
96.95911	2.1
97.02837	6.8
99.00747	3.6
101.02333	19.8
106.33331	1.3
109.06462	6.2
111.04362	1.6
113.02341	12.5
119.03384	6.0
125.02356	6.7
125.09594	3.1
127.11169	4.4
131.03323	1.8
137.09564	1.9
142.02586	1.7
143.03438	3.1
155.10666	1.9
161.04463	5.4
163.11179	5.3
171.10190	57.4
171.64900	1.5
179.05482	4.8
181.12273	4.1
199.09703	17.5
199.13310	2.0
201.11282	26.2
207.10194	22.5
208.10664	1.5
213.44304	1.3
221.06592	4.1
225.11285	22.5
235.08177	5.2
239.20724	1.6
243.12381	4.4
277.21719	55.5
278.22076	4.3
287.07642	2.0
294.66553	1.7
305.08737	2.0
379.12503	3.0
397.13498	31.4
415.14566	11.1
458.92526	1.9
475.56561	1.9
500.63901	1.8
597.23718	3.0
605.24329	3.8
623.25653	5.5
641.26477	2.0
786.75592	1.9
822.96362	2.0
870.53015	1.8
883.46985	9.1
884.47516	2.9
919.48431	17.7
920.48938	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01740	0.5
68.99690	4.7
69.03318	2.8
69.27238	5.4
71.01257	30.3
72.99184	3.5
73.02832	2.5
75.00745	15.3
83.01267	3.7
85.02830	11.2
87.00758	3.9
89.02320	11.0
95.01268	4.5
96.95923	1.3
97.02830	5.0
99.00761	16.0
101.02330	13.6
106.05025	0.5
111.00742	0.6
113.02331	10.2
119.03369	1.3
125.02347	12.1
129.01804	0.5
131.03419	0.7
139.00252	0.9
143.03389	1.9
157.01312	1.5
161.04413	0.8
209.11751	1.1
211.13400	0.7
251.20169	0.5
275.19965	0.5
293.21231	0.5
309.20578	0.9
327.21664	0.6
395.22021	0.5
397.13629	0.9
444.74420	0.6
466.70380	0.5
739.40564	1.2
919.47028	100.0
920.47266	16.6
926.04858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	11.8
71.23116	1.3
71.44798	2.3
71.57055	1.3
73.02808	2.5
73.05376	1.6
78.98458	7.4
79.95609	24.8
80.96393	85.3
85.02825	3.3
87.00751	3.5
94.97965	19.5
96.95910	2.4
97.02841	3.2
97.72851	1.4
101.02328	4.4
106.97980	5.0
122.97469	5.3
125.02354	2.8
134.97459	6.4
135.31317	1.6
136.99025	2.0
148.99037	7.6
152.98535	7.5
164.98537	14.9
206.99629	3.4
225.00684	23.1
283.05142	1.8
440.25339	1.9
675.99402	1.7
793.43933	6.6
794.44128	2.4
919.47333	100.0
920.47839	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	919.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91166	5.5
70.66234	6.0
71.01249	20.3
71.57128	8.4
74.05638	5.9
78.95788	10.8
80.96412	10.3
87.00745	10.6
88.98689	25.3
89.02307	6.8
96.95890	100.0
99.00768	9.5
100.31808	7.4
101.02330	9.3
103.62267	5.6
106.26953	6.6
112.98685	11.7
119.11687	5.8
123.73842	6.3
131.04556	14.6
142.99744	11.8
165.01674	5.5
174.01616	13.0
174.29179	6.7
175.02406	13.5
201.11317	7.4
207.10286	10.5
211.13295	21.4
225.11253	26.2
235.08090	7.7
253.08917	7.0
277.21777	38.4
554.25891	6.1
623.25586	15.8
690.37195	8.1
883.46918	52.6
919.44629	31.0
920.44672	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	917.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	3.3
71.56999	1.7
73.34130	0.9
78.47509	1.1
79.95591	2.2
80.96381	1.8
87.00755	6.0
95.18816	0.9
95.95088	1.4
96.95884	7.7
101.02342	1.4
108.59252	1.1
113.02307	1.5
121.10112	12.1
171.10190	35.9
183.13765	2.3
209.11687	1.6
211.13335	1.8
231.21158	3.5
267.46530	1.0
275.20148	69.6
276.20535	5.0
277.21671	1.2
293.21219	100.0
293.94073	1.1
294.21570	6.8
309.20746	1.1
382.13504	1.0
387.25235	3.0
397.13281	1.1
405.26389	2.0
593.32349	1.2
623.34528	9.2
917.45508	6.9
918.46625	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	917.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	0.3
71.01250	0.9
72.04481	0.3
72.99172	0.3
78.95767	0.3
79.95604	1.3
80.96368	0.6
87.00771	0.9
89.02303	0.6
96.95877	2.6
111.08002	0.4
113.02299	0.3
123.33765	0.3
167.10718	0.4
171.10159	0.3
179.14317	0.9
181.12419	0.4
182.35048	0.3
195.13837	6.2
196.14441	0.7
202.16188	0.3
205.12157	0.5
205.15779	0.4
209.11926	0.4
211.13351	0.8
223.13350	5.9
228.13574	0.7
249.22227	0.5
256.13074	1.4
265.21576	0.5
275.20135	3.7
293.21219	100.0
294.21552	7.4
380.89059	0.3
397.13550	0.5
405.26474	0.4
601.71503	0.3
623.34503	1.7
917.45905	2.1
918.46973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.0
70.41563	1.0
71.01255	25.9
72.99189	3.7
73.02818	3.3
83.01244	2.9
85.02838	7.1
87.00748	4.8
89.02328	11.2
95.01249	2.5
96.95889	2.5
97.02849	4.3
98.20554	3.7
99.00719	3.0
101.02325	14.0
107.42229	1.3
109.06477	2.8
111.08049	7.7
113.02331	6.1
119.03368	1.8
123.98659	1.1
125.02317	5.6
143.03409	2.1
161.04485	2.7
165.12770	9.6
169.12230	3.7
171.10135	3.7
181.12105	1.4
183.13832	64.1
184.14139	3.2
185.11746	1.4
187.48650	1.2
197.11772	32.1
198.12050	1.6
199.13364	3.1
209.11752	4.6
211.13319	6.3
221.06595	2.9
225.11261	2.7
227.12840	7.7
235.08221	2.3
263.20242	1.6
291.19583	6.1
293.21280	5.4
299.01923	1.5
309.20724	20.4
397.13477	13.5
415.14493	4.8
607.25616	2.2
625.26740	1.9
633.70532	1.5
645.37494	1.4
889.51880	1.3
899.46967	2.9
917.47467	100.0
918.47620	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	917.476
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68367	1.6
71.01252	19.1
72.99164	2.5
73.02808	2.4
83.04903	2.8
85.02818	6.0
87.00760	2.0
89.02323	11.1
92.01954	1.6
95.01276	2.2
96.95885	2.7
97.02837	4.7
99.00771	14.1
101.02312	14.3
109.06472	2.1
113.02309	6.1
117.98572	1.4
119.03385	3.2
125.02317	4.7
125.09606	6.9
130.69675	1.5
131.03380	1.7
133.89861	1.5
142.02632	2.7
150.37898	1.6
163.11189	7.1
165.12825	3.3
171.10159	5.1
179.10684	1.9
181.12280	13.1
183.13841	14.0
195.13876	1.9
197.11742	4.2
199.13306	12.5
199.77455	1.7
201.11293	6.0
207.10207	26.2
209.11761	18.5
211.13463	8.2
221.06625	5.4
225.11285	38.8
227.12811	4.7
235.08389	1.4
243.12381	21.6
271.02435	2.1
291.19650	16.1
292.19971	1.8
293.21204	8.7
299.01767	2.1
309.20779	11.1
325.19955	1.6
327.21805	5.8
397.13593	14.5
415.14630	5.1
640.51764	1.7
641.26532	2.2
787.57001	2.0
819.39984	3.2
899.46161	8.2
917.47504	100.0
918.48431	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	917.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.8
70.03452	3.9
71.01253	21.3
72.99187	2.5
73.02807	4.0
78.60616	0.9
81.03349	1.5
83.01249	1.5
85.02832	5.7
87.00739	3.9
89.02312	12.4
95.01237	2.2
95.04884	1.0
96.95881	1.2
97.02820	4.8
99.00745	2.5
101.02329	13.0
111.08035	6.5
113.02343	6.1
119.03372	3.8
125.02359	4.6
125.09574	1.4
143.03381	2.4
148.90662	1.0
161.04428	2.4
165.12784	7.6
168.67744	1.0
169.12271	2.1
171.10175	2.4
179.05508	2.5
181.12314	1.7
183.13834	57.1
184.14143	2.7
197.11783	27.4
199.13344	1.9
201.11227	1.7
207.10262	1.0
208.96664	0.9
209.11772	3.7
211.13377	4.9
212.13620	1.1
221.06609	2.9
225.11198	1.5
227.12814	8.6
227.85486	1.1
235.08156	2.6
253.09183	1.1
271.02448	1.4
291.19629	8.1
293.21265	4.8
301.31329	1.0
309.20712	15.8
327.21542	1.0
397.13504	10.7
415.14526	3.7
607.25781	3.0
625.27112	3.2
869.17828	1.2
912.18079	1.1
917.47498	100.0
918.47980	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	917.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	31.3
71.57960	3.2
72.99188	3.6
73.02827	6.2
78.91751	4.9
78.95779	4.1
79.95609	2.8
80.96420	3.3
83.01278	2.5
85.02822	8.3
87.00766	10.7
89.02322	23.2
95.01291	2.9
96.95880	8.5
97.02794	5.0
99.00765	2.6
101.02330	22.8
105.43125	2.1
113.02322	13.9
119.03407	5.6
125.02326	13.0
143.03467	3.5
161.04491	5.1
169.12250	90.3
170.12558	4.1
171.10191	25.3
174.01637	2.8
179.05516	4.8
203.78047	2.2
211.13310	6.5
214.77890	2.4
235.08179	8.2
277.21738	100.0
278.22034	9.1
287.07791	3.5
323.09735	2.9
379.12454	29.5
397.13535	64.4
398.13986	3.8
415.14548	9.5
549.25531	8.3
567.26556	9.6
633.97406	2.7
657.35065	4.4
675.36707	4.6
871.46869	10.1
872.46423	3.5
881.46967	3.1
889.47809	8.5
917.46472	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	917.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99734	1.7
71.01244	17.8
72.99181	7.6
75.00763	2.2
78.95805	2.5
79.55590	1.7
80.96405	3.4
83.01279	3.3
86.46763	1.7
87.00755	24.4
88.00291	3.0
89.02334	5.7
92.31502	1.9
96.95889	10.1
96.96819	2.2
98.19699	4.1
99.00751	6.0
101.02335	5.2
110.02368	2.0
111.00782	3.0
112.98685	19.7
113.02325	2.4
115.00259	12.7
124.98716	3.2
137.37505	1.8
142.99777	27.0
161.04509	3.2
168.34267	1.8
173.00821	8.2
174.01613	31.6
175.02400	25.5
183.13811	4.4
197.11693	1.9
199.13327	10.4
201.11258	6.9
209.11711	8.9
211.13338	61.8
212.13654	5.1
227.12840	2.2
235.08212	6.0
247.06007	1.8
253.09300	6.7
255.23373	7.6
255.40767	1.8
263.12836	3.2
277.21725	100.0
278.22076	6.8
379.12527	3.6
397.13614	12.3
429.21490	4.0
447.22272	3.3
513.30609	8.0
653.37439	3.3
677.96729	2.4
707.43921	11.5
708.44147	2.5
715.11658	2.1
745.41827	2.3
763.43311	9.4
777.43433	3.1
781.43396	2.7
803.42041	5.1
821.43158	4.4
863.43689	2.8
881.44751	3.6
917.48676	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	917.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.8
72.86992	0.4
83.01263	0.6
98.65969	0.4
107.01257	1.9
108.02087	0.5
109.02836	0.8
147.00743	0.7
147.04446	0.4
148.01595	0.5
150.99155	0.5
151.00287	6.3
169.01376	0.4
171.04422	0.6
175.00259	0.6
175.03954	0.7
178.99780	1.8
183.04375	0.4
199.03966	3.5
199.39388	0.4
201.01834	1.1
203.03462	0.8
215.03355	2.1
226.02663	1.3
227.03450	3.3
243.02959	6.0
244.03348	0.6
254.02191	0.7
255.02989	5.8
271.02481	67.2
272.02899	4.4
273.03964	0.4
285.03943	0.5
299.01962	100.0
300.02652	28.1
300.06180	0.9
301.03497	10.2
462.08035	15.0
463.08688	2.8
466.68399	0.4
489.09552	0.5
493.62311	0.5
622.56213	0.5
642.53131	0.5
755.20386	29.3
756.20923	3.9
917.25708	26.1
918.26324	5.2
918.42987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	1.0
71.13184	1.5
85.52380	0.7
100.78122	0.6
107.01273	1.3
109.02822	1.1
115.65924	0.7
121.72092	0.8
133.02817	0.9
133.69894	0.6
151.00291	6.3
154.91373	0.5
170.54074	0.6
171.04388	1.3
175.03952	1.5
178.99835	1.7
187.03827	0.9
198.36282	0.7
199.03952	5.2
200.04182	0.6
201.01883	1.2
215.03508	3.0
226.02695	1.2
227.03435	5.9
229.04938	0.7
243.02977	6.4
255.02977	6.8
271.02487	88.1
272.02869	6.6
299.01978	100.0
300.02649	27.2
301.03485	11.2
302.03903	0.7
309.30673	0.6
461.07001	0.8
462.08041	14.9
463.08676	2.9
561.55774	0.7
650.81671	0.6
755.20355	31.7
756.20593	4.5
917.25677	28.1
918.26093	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	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00193	2.2
70.17702	5.0
98.19782	1.2
107.01273	1.9
109.02815	1.4
109.99962	6.2
111.00774	2.8
117.03367	1.2
123.00710	1.2
133.02887	1.3
137.99460	2.6
139.00285	7.1
145.02922	1.1
151.00269	8.7
152.00916	1.2
155.04962	1.8
157.02840	1.2
163.00368	1.4
164.98346	1.2
165.01913	1.3
165.98993	11.6
166.99724	3.5
171.04427	1.8
173.02356	1.5
175.03929	1.2
178.99796	4.7
183.04427	3.6
187.03909	2.5
193.98477	1.7
199.03944	4.8
201.01848	1.2
206.99384	1.6
211.03952	1.9
215.03447	6.6
226.02686	2.8
227.03488	10.8
229.04996	1.3
239.03441	1.2
243.02948	20.0
254.02344	1.9
255.02966	30.6
256.03653	2.5
271.02478	97.9
272.03165	10.1
283.02502	7.3
284.03156	3.5
285.04065	4.6
299.01965	89.5
300.02719	59.1
301.03494	26.1
302.03918	1.1
313.03522	1.4
438.79666	1.2
445.07739	6.3
462.08035	11.9
463.08664	3.1
490.09650	1.2
575.46265	1.3
589.94818	1.2
737.18762	1.2
755.20367	100.0
756.20837	12.5
917.25494	23.5
918.26465	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	915.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.1
69.38175	1.5
69.38594	3.6
82.31735	0.5
83.01266	0.8
84.55500	0.5
93.03333	0.8
98.19807	0.8
107.01290	2.7
117.03336	0.9
132.02068	7.9
133.02859	4.0
134.03632	1.2
135.00754	1.4
135.04358	0.7
138.46556	0.6
143.94939	0.6
149.06041	0.5
151.00293	4.2
159.04427	0.6
160.01578	16.4
161.02354	13.0
163.00314	1.0
164.01068	0.7
164.22870	0.6
169.01318	1.3
175.03929	9.4
176.04341	0.5
178.99763	2.0
183.04474	1.4
185.02362	0.9
187.03999	0.7
187.71016	0.5
197.05956	0.6
199.03896	1.1
211.03954	2.4
213.05450	0.7
227.03464	42.2
228.03807	1.6
229.04959	1.8
239.03395	1.4
243.02716	0.6
255.02975	79.3
256.03592	9.1
257.04550	2.2
271.02698	0.6
283.02487	6.4
284.03256	100.0
285.03900	18.3
286.04218	1.1
295.02020	0.6
298.04813	2.5
298.62732	0.7
299.02139	1.1
299.05600	2.7
314.04401	0.6
405.86667	0.6
721.20258	0.8
735.21594	1.0
739.21082	7.6
740.21460	1.3
753.22229	5.0
779.20416	1.2
915.25684	42.9
916.25995	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	915.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31134	4.3
69.31554	7.4
71.91915	1.2
103.69165	1.1
107.01264	3.3
117.03360	17.8
118.03714	1.4
119.04911	1.8
132.02051	5.7
133.02841	3.6
145.02856	36.4
151.00284	10.4
152.00926	1.4
160.01581	16.9
161.02348	15.5
163.00201	2.2
167.04955	1.4
169.01468	1.6
175.03937	10.0
178.99805	2.9
183.04442	3.2
187.03923	1.3
199.03911	4.7
211.03922	2.7
215.03395	2.9
227.03458	38.0
228.03819	2.7
242.02242	2.8
243.02951	20.3
255.02980	79.4
256.03589	9.9
257.04620	6.0
270.01642	3.8
271.02487	28.6
272.03000	2.2
283.02386	7.0
284.03265	100.0
285.03946	25.5
286.04636	4.5
287.05698	1.5
298.04822	2.4
299.01993	77.5
299.05234	3.3
300.02646	13.5
313.03455	3.7
314.04315	62.1
315.05017	16.8
366.36224	1.3
447.56177	1.3
739.20764	4.8
751.22797	1.5
753.22040	4.0
769.21899	12.7
770.22180	2.0
915.25604	65.8
916.26025	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	915.257
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43936	0.2
65.00199	1.2
69.27272	0.2
71.34732	0.3
71.35049	0.3
78.27350	0.2
83.01275	0.9
93.03342	0.6
107.01283	2.3
109.02883	0.2
117.03347	0.6
124.01574	0.3
125.02305	0.5
132.02060	7.4
133.02875	2.5
134.03618	0.8
135.00783	1.2
135.04413	0.6
135.67000	0.2
145.02858	0.4
151.00279	4.3
152.01016	0.5
153.01892	0.4
159.04387	0.5
160.01573	16.5
161.02361	8.9
162.02715	0.5
163.00267	1.3
164.01030	0.6
167.04962	0.3
169.01357	1.2
171.04416	0.5
172.05309	0.3
175.03925	10.2
176.04248	0.6
178.99785	1.7
183.04427	1.9
185.02397	0.4
185.05992	0.6
187.03934	1.1
198.43933	0.3
199.04016	0.5
200.04776	0.4
211.03963	2.1
212.04669	0.5
213.05457	0.6
215.03435	0.3
227.03448	45.6
228.03798	3.0
229.04996	2.0
239.03517	1.4
241.05113	0.5
243.02980	0.4
255.02966	87.8
256.03549	10.3
257.04431	2.0
271.02426	0.4
283.02475	6.4
284.03253	100.0
285.03915	20.9
286.04303	0.7
298.04831	1.2
299.02219	0.4
299.05563	1.5
300.02643	0.3
327.05188	0.5
350.19250	0.3
393.06259	0.3
575.14417	0.4
615.20007	0.4
721.19958	0.7
739.20911	7.6
739.33777	0.5
740.21478	1.1
753.22406	4.3
754.23126	0.5
765.19421	0.7
779.20313	0.6
915.25610	40.4
916.09222	0.5
916.26172	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	915.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00224	3.3
71.27651	2.3
71.27996	2.4
82.29313	1.3
83.01259	2.1
92.61839	1.6
107.01270	6.8
117.03342	29.1
119.04932	2.6
132.02036	4.2
133.02878	2.7
145.02859	55.2
146.03224	2.6
151.00270	14.2
160.01582	14.6
161.02304	4.7
163.00262	2.1
169.01369	2.6
171.04420	2.2
175.03899	7.0
178.99780	3.3
183.04468	7.0
187.03836	2.6
199.03929	10.4
203.03462	1.7
211.03952	3.3
214.02631	1.6
215.03452	3.8
227.03458	43.6
227.05708	2.1
228.03967	2.0
229.05034	2.2
242.02214	8.3
243.02940	39.2
244.03471	1.4
255.02969	88.5
256.03552	8.5
257.04584	5.6
270.01581	7.1
271.02463	54.1
272.02872	1.8
283.02512	9.5
284.03259	72.3
285.03976	26.3
286.04706	4.1
287.05414	1.7
299.01965	100.0
299.33301	1.9
300.02652	18.1
313.03528	8.8
314.04303	77.8
315.05020	21.3
461.77087	1.7
739.21228	4.9
753.22394	2.9
769.22089	20.5
795.19751	2.3
915.25726	87.9
916.25916	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	913.48
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73209	2.5
70.18577	13.0
71.01247	17.0
72.99174	13.3
73.02820	3.6
78.95782	6.5
85.02827	3.6
87.00761	10.5
88.98682	6.2
89.02313	8.8
96.40607	2.7
97.02861	2.5
99.00768	6.2
101.02326	7.5
110.98435	5.4
112.98725	14.7
113.02275	4.3
115.00238	14.3
121.26332	2.6
128.74940	3.1
142.99765	33.7
173.00848	11.6
174.01608	28.6
175.02411	24.4
183.13791	3.0
185.02097	13.5
205.12134	3.2
211.13333	100.0
212.13579	5.8
221.11777	3.3
223.13330	5.5
237.14941	7.2
253.09279	7.3
253.21736	4.4
255.23297	24.1
263.12958	4.6
277.21725	96.3
278.22095	5.0
379.12299	4.5
397.13498	13.2
415.14691	3.5
421.23849	4.0
447.22485	9.4
707.43951	5.0
763.42725	10.4
913.49719	5.4
922.74683	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	913.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.6
68.99683	1.9
69.33520	5.1
71.01256	26.8
72.99188	3.6
73.02823	2.6
75.00750	16.2
79.95615	0.5
83.01257	4.1
85.02823	14.2
87.00740	2.1
89.02326	8.1
95.01275	4.2
96.95873	0.9
98.19286	0.5
99.00763	15.1
99.81737	0.5
101.02326	12.6
111.00771	0.9
112.01550	0.9
113.02331	10.2
115.00262	0.7
119.03381	2.5
119.04838	0.7
121.11144	0.4
131.03412	3.6
134.03633	0.7
139.00328	0.8
150.03134	0.6
157.01324	0.9
161.04506	0.9
166.04935	0.6
246.84842	0.6
250.13359	0.5
441.33572	0.7
443.36374	0.6
573.38116	0.7
614.36249	0.5
715.27234	0.8
913.48096	100.0
914.48352	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	911.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	2.0
69.03346	0.8
71.01255	33.1
71.13541	1.2
72.99182	4.5
73.02819	10.1
75.00745	16.3
83.01252	3.4
85.02826	22.1
85.99975	1.8
86.03141	1.0
87.00751	11.2
87.04385	3.0
89.02317	5.2
95.01251	3.1
96.95892	3.3
99.00761	14.4
101.02316	7.2
103.03860	1.5
111.00758	1.2
113.02332	13.8
115.03896	2.6
116.94272	0.7
121.02828	1.0
127.14877	0.7
131.03395	11.3
135.62044	0.8
143.03391	7.5
157.01338	1.0
163.05989	1.4
175.75183	0.7
205.07117	3.9
222.69167	1.1
247.08223	1.0
272.44446	0.8
284.03394	0.9
292.42944	0.7
317.14264	2.1
409.75763	0.7
449.16159	0.8
449.25027	0.8
455.35196	3.2
498.42514	1.0
525.39154	0.9
545.70917	0.7
618.76624	0.7
713.26154	2.5
714.26624	1.1
751.42743	1.1
893.49292	1.2
911.50104	100.0
912.50458	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	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	14.3
72.99193	7.7
75.00745	2.8
82.46906	2.5
85.02877	3.3
87.00748	6.8
88.98691	3.6
99.00794	4.7
101.02337	6.7
111.00690	2.9
112.98713	15.3
113.02335	6.4
115.00254	10.6
117.49496	2.0
125.02349	3.9
142.99777	25.3
156.22166	2.5
161.04420	3.9
173.00809	6.5
174.01608	19.9
175.02405	16.7
195.10130	4.8
211.13321	44.3
223.13409	3.9
235.08185	6.7
237.14909	3.1
253.09183	3.8
255.23251	26.2
263.12885	3.0
277.21729	100.0
278.22134	6.9
380.18863	2.5
397.13672	14.3
429.21268	3.8
513.30603	3.8
707.43927	4.0
763.42822	7.1
881.45361	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	911.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	1.8
69.03305	1.1
71.01254	28.4
72.99172	3.1
73.02821	7.3
75.00748	14.2
75.41110	0.7
83.01264	2.8
84.34283	0.7
85.02828	20.0
85.99957	1.6
87.00748	10.6
87.04369	3.6
89.02323	6.7
95.01266	3.0
96.95905	1.5
99.00759	12.7
99.90936	0.7
100.01100	0.8
101.02322	6.6
103.03893	1.8
113.02332	12.6
115.00196	1.0
115.03883	2.9
116.92715	0.8
119.03435	1.2
131.03409	9.8
143.03421	7.4
144.96121	0.7
163.06044	1.3
175.02478	1.0
205.07106	2.9
332.78815	0.8
350.71716	0.8
455.35297	2.7
525.39252	0.9
542.99866	0.7
754.59607	0.8
836.07678	0.9
893.48560	1.9
910.49341	1.2
911.50043	100.0
912.50470	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	911.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86245	0.7
68.99684	1.4
69.03310	1.7
71.01254	29.9
72.99184	3.5
73.02815	8.4
75.00745	13.3
76.73698	0.7
83.01260	3.4
85.02824	22.6
85.99947	2.2
87.00756	9.7
87.04382	3.2
89.02312	5.8
95.01250	2.6
96.95880	1.1
98.19799	2.0
99.00758	12.6
101.02328	6.5
103.03876	2.1
112.01517	0.7
113.02334	12.3
115.00239	1.4
115.03874	3.7
119.82759	0.8
131.03391	9.6
143.03404	6.8
145.04944	1.2
148.92693	0.8
157.01324	1.1
163.06023	1.6
203.49405	0.7
205.07083	4.3
229.40594	1.0
277.65698	0.9
439.32773	0.7
441.33295	0.8
455.35159	2.0
554.46814	0.8
577.03845	1.1
689.38684	1.0
893.48364	1.6
911.50104	100.0
912.50513	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	911.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83698	0.3
71.01256	3.2
71.57723	0.3
72.01598	0.4
72.99172	0.8
73.02828	0.7
75.00742	1.1
76.47816	0.4
80.53645	0.4
85.02825	1.8
86.03174	0.4
87.00748	0.8
87.04349	0.5
92.66908	0.5
93.22089	0.3
99.00780	1.6
99.92466	11.3
100.92522	0.5
101.02340	0.4
113.02331	1.1
114.93307	0.7
115.91969	1.0
116.92749	100.0
117.01849	0.6
117.92754	3.5
131.03397	0.6
139.51874	0.3
143.03455	0.6
144.47527	0.4
273.93930	0.4
774.80029	0.4
793.44574	1.9
893.36530	3.1
894.36890	0.8
910.48798	2.9
911.49060	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	911.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.6
68.99671	1.5
69.03331	0.8
70.70722	0.4
71.01255	31.0
71.34370	0.8
72.01581	0.4
72.99181	2.7
73.02441	0.7
73.02818	8.1
75.00748	15.0
81.03329	0.8
82.89060	0.4
83.01254	2.2
84.02036	0.6
85.02824	24.9
85.99951	1.9
86.03146	0.4
87.00756	12.5
87.04388	4.5
89.01820	0.6
89.02318	5.9
95.01267	3.9
97.02831	0.5
99.00758	13.9
99.04413	0.4
101.02334	5.4
103.03910	1.8
111.00774	0.7
112.01538	1.4
113.02331	14.1
115.00265	0.5
115.03899	4.9
119.03346	0.7
125.02303	0.6
125.49856	0.4
127.03882	0.4
129.01801	0.4
131.03398	11.3
139.00284	0.7
143.02353	0.6
143.03406	8.4
143.04518	0.5
145.04956	1.3
157.01340	1.3
163.06030	1.7
168.29919	0.4
186.92342	0.4
205.07076	4.4
437.34537	0.8
457.36722	1.2
615.39111	0.7
627.72327	0.4
762.39441	0.4
893.48907	0.8
911.50055	100.0
912.50354	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	910.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57143	0.9
74.02345	1.2
82.02837	0.8
82.39629	0.8
89.02312	0.7
99.05515	0.9
126.01908	1.1
127.94096	0.6
128.03424	4.5
134.81540	0.6
143.04495	3.7
152.99570	0.8
176.10997	0.6
179.04497	0.8
209.11670	0.7
245.95628	0.7
253.34810	0.7
254.07806	1.2
272.08856	4.4
338.75345	0.7
410.68311	0.7
437.95245	0.7
443.18680	1.0
457.20020	1.0
458.21112	3.5
459.21777	1.7
475.15964	0.8
476.16794	7.2
477.17542	4.8
490.18524	1.0
491.19006	2.7
517.22754	4.1
521.16260	1.1
535.18146	11.4
536.18579	2.5
549.19769	2.3
550.20294	1.4
605.21826	11.0
606.22583	1.4
637.24902	100.0
638.25299	16.3
878.32373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	2.4
69.03316	1.3
71.01255	32.8
71.58696	1.4
72.99174	3.5
73.02824	8.8
75.00747	15.9
83.01244	4.9
85.02821	23.9
85.99984	2.5
87.00761	10.6
87.04385	4.3
88.98675	1.7
89.02309	7.2
95.01267	2.6
96.95882	2.7
99.00761	14.6
103.03864	3.2
103.62482	1.3
113.02328	14.7
113.84988	1.3
115.00270	1.2
115.03909	2.3
131.03397	13.0
138.34973	1.1
143.03409	7.0
145.05005	1.7
161.09787	1.3
163.06009	1.8
205.07176	3.2
208.41776	1.2
231.37297	1.3
453.33975	2.4
909.48560	100.0
910.49127	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	909.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	2.1
69.03350	2.2
71.00900	2.0
71.01260	37.0
72.99177	5.2
73.02824	7.7
75.00752	14.5
83.01283	2.3
85.02824	28.2
85.99979	3.2
87.00765	11.1
87.04387	4.0
89.02323	5.8
92.36569	1.4
95.01264	4.0
96.95865	3.8
98.19685	2.7
99.00758	12.2
103.03871	2.5
113.02333	13.0
115.03903	1.6
116.92712	1.8
131.03404	11.2
140.30511	1.6
143.03430	8.1
145.04938	1.7
154.06175	1.7
157.01396	1.4
171.10193	2.2
181.12523	1.6
205.07034	3.8
206.71213	1.7
211.13318	2.6
229.52728	1.4
253.09242	3.1
327.21857	13.1
439.32272	3.0
563.30634	2.5
637.43317	1.8
649.05658	1.6
909.48541	100.0
910.49115	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	909.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	1.9
69.03309	1.6
71.01253	34.3
72.99186	4.3
73.02817	8.2
74.76923	0.5
75.00746	15.5
77.47456	0.5
79.87386	0.6
81.03312	0.7
83.01260	3.0
85.02825	22.6
85.99948	2.4
87.00751	11.8
87.04407	3.6
89.02322	5.6
95.01268	3.6
96.95911	1.4
97.02830	0.9
99.00758	14.0
99.04375	0.8
99.34119	0.5
103.03867	2.4
106.14971	0.5
111.00741	1.0
113.02334	12.3
115.03883	3.8
119.03368	0.6
124.49226	0.6
125.02327	0.6
131.03397	11.3
139.00290	0.6
143.03394	6.3
145.04977	1.0
150.03084	0.6
157.01361	1.1
163.05997	2.3
172.05215	0.9
205.07120	4.3
229.59387	0.7
241.08682	0.6
247.08231	0.7
254.21268	0.6
289.21564	0.8
296.11304	0.6
431.19672	0.6
437.30515	0.7
439.31775	0.8
453.33771	2.5
455.35254	2.3
523.37854	1.4
825.99255	0.7
847.48492	0.8
877.31476	0.7
891.47479	1.9
909.48541	100.0
910.48895	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	909.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26804	0.4
68.99688	1.5
69.03327	1.5
71.01254	36.0
72.99182	3.7
73.02822	8.0
75.00747	15.2
79.19419	0.4
83.01250	4.0
85.02823	21.3
85.04773	0.5
85.99970	2.1
87.00751	12.7
87.04382	4.0
89.02323	5.2
95.01272	3.4
96.95879	2.3
97.02814	0.5
98.95396	0.5
99.00758	16.5
99.04389	0.7
103.03889	1.7
111.00743	1.1
112.01542	0.8
113.02326	11.6
115.00300	0.5
115.03892	4.6
119.03349	0.9
119.87772	0.5
125.02278	0.8
131.02469	0.8
131.03400	10.6
143.03395	7.2
145.04988	1.5
157.01314	1.0
163.06004	1.5
205.07109	4.6
247.08246	0.6
279.49573	0.5
317.71362	0.6
343.80978	0.6
353.24893	0.8
423.32346	0.8
437.33902	0.6
453.33551	3.0
523.38123	0.9
613.37915	0.7
891.47894	1.4
909.48505	100.0
910.48871	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	909.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.9
69.03312	0.8
69.26384	5.7
69.26788	1.1
71.01255	31.3
71.04882	0.7
72.99187	3.6
73.02819	8.2
75.00750	11.3
83.01253	2.2
85.02828	17.8
85.99955	2.0
86.95385	0.6
87.00759	10.5
87.04400	2.9
89.02313	4.6
95.01261	3.1
96.95934	1.4
97.02874	0.6
98.20607	1.4
98.95499	0.7
99.00758	16.7
99.04408	1.0
103.03896	1.4
111.00738	0.7
113.02336	9.2
113.61237	0.7
115.03911	3.0
131.03395	9.5
136.15219	0.6
143.03409	6.1
145.04955	0.8
148.10350	0.6
157.01256	0.8
163.06079	1.2
188.28238	0.7
205.07091	3.0
226.93913	0.9
409.34827	3.1
453.33856	1.7
611.71655	0.7
613.37646	1.8
614.38062	1.0
865.49255	1.1
891.48926	1.0
909.48492	100.0
910.48785	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	909.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	1.2
69.03325	0.9
71.01256	61.3
72.99182	19.8
73.02811	7.7
75.00751	2.5
83.01254	2.6
84.02045	2.2
85.02827	74.8
86.03121	0.9
87.00754	15.5
87.38421	0.7
89.02324	5.5
95.01271	11.8
99.00751	4.5
101.02325	4.4
103.00256	4.0
111.00773	1.6
113.02333	100.0
114.02679	2.4
115.00253	3.8
129.01839	2.5
131.03383	6.6
133.01331	5.5
143.03392	0.8
157.01352	1.9
175.02394	9.0
193.03468	3.6
209.63347	0.7
235.04549	16.3
283.06113	2.4
423.32654	8.4
485.32486	1.0
647.38043	2.4
761.41260	17.6
762.41833	1.6
805.39856	2.5
808.01398	0.9
823.41278	19.4
824.41510	3.0
865.42218	49.2
866.42554	7.9
885.83612	0.9
909.48401	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	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16159	0.3
67.01753	0.5
68.99701	1.6
69.03322	1.1
70.59861	1.0
71.01256	26.4
72.99192	2.5
73.02443	0.5
73.02820	7.0
75.00746	10.1
81.03322	0.4
83.01262	1.9
85.02828	15.6
85.99968	2.1
86.03169	0.3
87.00756	10.0
87.04397	3.4
89.02319	3.5
95.01270	2.5
97.02815	0.9
99.00761	13.3
99.35629	0.3
103.03868	1.4
111.00771	0.5
112.01513	0.6
113.02339	9.2
114.02673	0.3
115.00256	0.5
115.03898	3.7
119.03410	0.3
131.03406	7.0
143.03410	5.5
145.04953	1.0
157.01311	1.1
163.06029	0.9
205.07169	3.0
214.71753	0.3
228.79491	0.3
247.08305	0.4
277.00449	0.3
437.34344	0.7
453.33734	4.6
454.34082	0.5
455.35303	5.6
456.35693	0.4
497.36395	0.8
523.37958	1.2
537.35657	1.4
551.37555	0.7
563.05286	0.3
569.38531	4.5
570.38623	0.5
587.39850	0.9
613.37604	6.0
614.37872	1.3
683.41895	1.0
684.40851	0.4
687.60565	0.3
701.42584	0.8
847.47913	0.4
891.47852	1.4
892.47687	0.4
909.48535	100.0
910.48944	22.9
910.75555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11801	0.1
65.78484	0.1
70.63232	0.2
70.63600	0.3
71.01238	0.5
75.00748	0.2
79.62502	0.1
79.95609	3.3
85.02814	0.3
87.00740	0.1
96.95890	100.0
97.95826	0.3
98.20464	0.1
99.00788	0.2
101.02323	0.1
113.02336	0.2
116.92725	0.2
132.41803	0.1
235.46095	0.1
538.19446	0.1
759.29047	0.1
809.43048	1.1
810.43878	0.2
907.45679	0.4
918.33215	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	909.341
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	1.4
65.00194	9.2
65.72549	0.6
69.49540	4.7
71.01231	3.3
73.02821	2.5
83.01257	4.3
85.02833	1.0
101.02334	1.7
107.01278	17.2
108.02122	0.7
109.02853	1.1
111.00731	0.6
113.02372	1.3
119.03384	0.7
120.95097	0.5
125.02338	5.2
128.76855	0.5
134.03619	1.0
135.04416	61.8
136.01630	1.0
136.04742	2.0
137.02443	0.5
149.02339	1.5
150.03084	2.0
151.00273	100.0
152.00630	2.4
159.81190	0.5
160.01503	0.8
161.02373	1.1
165.01849	1.4
165.05489	1.8
169.01398	3.0
175.03886	1.1
177.01831	0.7
178.99698	0.7
195.06523	1.9
204.17761	0.5
227.03474	0.7
230.18561	0.6
255.02901	2.3
256.03217	0.9
271.02594	0.7
284.03226	1.4
285.03781	1.3
287.05615	66.6
288.06018	3.7
300.02768	1.4
449.10883	77.4
450.11380	5.3
459.18512	0.6
639.24536	1.5
687.26471	0.8
794.36383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60716	0.4
66.69308	0.4
67.01756	0.6
68.99686	2.6
69.03333	2.4
70.34332	1.0
71.01254	24.8
72.99177	2.7
73.02806	1.6
73.54840	0.4
75.00747	13.1
76.37133	0.4
83.01266	3.7
85.02826	9.4
85.99992	0.5
87.00745	2.4
89.02320	11.2
95.01263	4.6
97.02839	4.2
99.00758	13.1
101.02323	11.6
111.00691	0.4
112.01531	0.4
113.02330	9.4
113.70152	0.4
115.00274	0.9
116.92750	0.6
119.03374	1.7
125.02332	6.0
139.00194	0.5
143.03333	0.7
157.01341	0.6
161.04465	0.9
177.81845	0.5
179.05586	0.4
184.09972	0.4
198.73373	0.4
256.24484	0.4
293.21252	0.5
351.06516	0.4
465.37097	0.7
565.38715	0.8
635.42999	1.4
668.88123	0.4
725.43555	0.5
905.49036	100.0
906.49384	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	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76560	4.4
71.01253	3.5
72.50755	0.5
72.99240	0.6
75.00756	0.7
85.02834	1.3
87.00746	0.8
89.02313	3.0
93.03355	2.7
93.60031	0.6
101.02346	1.8
101.35762	0.6
105.03351	0.8
109.02811	0.8
113.02319	0.6
119.03429	1.4
120.01243	0.8
120.29762	0.8
121.02842	5.4
122.03625	11.8
124.01561	0.6
133.02840	1.2
133.27798	0.8
135.04405	0.9
136.01573	10.0
137.02362	1.8
137.09387	0.7
149.01215	1.1
149.02354	14.4
150.03133	89.4
151.00262	1.7
151.03925	12.7
154.02649	0.6
161.04546	0.6
162.03194	0.6
164.04709	3.0
165.05487	100.0
166.02643	7.6
166.05800	3.6
167.03381	0.8
175.03889	1.4
178.28810	0.7
179.05530	1.1
180.04210	7.2
181.04977	9.1
187.82547	0.6
189.05522	0.8
190.06233	1.3
194.82466	0.7
195.06563	78.9
196.06908	3.5
205.05377	0.6
243.84753	0.6
252.34596	0.6
255.02962	1.4
264.71060	0.7
266.05548	0.7
286.59515	0.6
342.10846	0.7
357.09552	2.3
357.13382	5.8
364.32941	0.6
369.13510	1.1
372.11969	2.3
387.14505	22.1
388.14600	1.7
535.19464	2.9
583.21838	57.3
584.22034	6.1
745.27020	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	903.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85725	1.4
78.46365	1.2
79.06953	1.3
85.02839	2.5
86.04584	1.2
87.57526	1.2
93.03361	1.4
98.20559	3.5
101.02311	1.6
107.01268	1.7
113.02333	1.7
117.03336	3.1
117.78302	1.3
119.04924	1.6
121.02856	15.9
132.42990	1.4
145.02855	6.0
151.00237	4.2
151.51904	1.4
154.51595	1.2
167.62502	1.4
178.99878	1.7
183.04375	1.5
203.08134	2.3
203.65593	1.3
205.12193	1.4
227.01349	2.7
227.03464	43.0
228.03867	2.8
229.05028	3.0
229.60123	1.7
230.85503	1.5
243.03053	1.6
245.09241	5.0
255.02977	78.8
256.03632	8.3
257.04453	1.8
271.02307	1.5
283.02353	3.2
284.03271	100.0
285.03931	20.4
291.45718	1.6
739.20813	8.2
781.21997	55.0
782.22333	6.7
885.24579	15.7
886.24731	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	903.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35182	11.6
69.35587	1.7
71.01254	18.7
73.02831	3.5
80.96397	2.5
81.03323	2.2
83.01270	2.1
83.04901	5.5
85.02838	4.0
87.00770	3.6
89.02319	14.5
90.10799	1.3
91.03922	1.3
95.01266	2.2
95.04932	1.4
96.95829	1.4
97.02859	3.2
99.00768	1.7
101.02322	15.8
103.93124	1.1
108.11169	1.3
109.02888	1.2
113.02330	8.9
119.03400	5.1
125.02364	9.5
125.09602	2.5
127.11239	3.3
132.96092	1.5
135.08105	1.4
143.03377	2.5
161.04488	3.9
163.11226	3.6
165.09172	1.6
165.12785	1.7
171.10220	2.9
179.05559	4.0
179.78613	1.3
185.11781	1.8
199.09715	2.1
201.11263	70.2
202.11636	2.5
209.11778	100.0
210.12083	6.6
221.06587	2.5
227.12862	12.8
235.08209	7.4
253.09346	1.7
277.18616	2.7
277.21713	55.7
278.22162	3.0
287.07678	1.6
305.08881	1.7
379.12488	10.5
387.51212	1.3
397.13522	47.9
398.13898	3.1
415.14484	13.1
581.24701	1.8
599.26025	2.5
903.48175	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87960	0.9
71.01255	21.0
72.99175	1.9
73.02812	4.0
74.09689	0.9
79.95605	4.4
80.96382	3.6
83.01262	2.3
85.02834	4.6
87.00752	2.9
89.02318	14.5
94.97984	1.0
97.02823	3.6
97.22646	1.0
99.00742	1.3
101.02329	13.9
111.08038	1.0
113.02340	7.4
119.03361	2.5
125.02334	4.4
127.43861	0.9
127.53437	0.9
128.13754	0.9
134.92288	1.0
138.64787	0.8
143.03444	2.2
161.04524	2.1
165.12759	6.0
179.05460	2.1
179.68846	1.1
183.13835	65.7
184.14108	3.4
195.13843	3.7
197.11760	1.5
209.11784	1.8
211.13347	4.2
221.06602	2.9
223.13361	3.3
227.12906	6.4
229.40181	1.4
235.08218	1.7
266.46454	0.9
275.20007	2.2
291.19714	1.4
293.21259	23.6
294.21466	2.5
309.20703	3.4
343.39761	1.1
379.12030	1.4
397.13516	13.0
415.14563	4.3
437.34888	0.9
524.68439	1.0
607.25989	1.7
625.27087	3.4
648.47235	1.4
901.47992	100.0
902.48358	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	902.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	1.9
72.00768	0.6
74.02347	14.1
79.95567	0.6
81.04462	0.7
82.02860	1.8
85.02811	1.2
86.02336	4.5
86.98969	1.6
87.05490	3.2
90.00070	1.1
96.95893	8.9
97.03957	2.1
99.05516	10.8
101.07086	1.7
102.05476	1.9
107.06036	0.9
109.03947	1.8
109.07597	0.7
111.05531	0.7
112.03894	1.0
116.01620	0.9
123.05498	1.3
124.03939	0.7
125.03458	0.8
127.05053	2.5
128.03435	31.6
131.04482	0.6
135.05553	3.5
140.73642	0.5
141.06644	2.9
143.04530	43.2
144.04877	0.8
145.06094	1.9
146.04456	3.2
150.03119	1.2
153.06616	2.9
155.08072	0.8
160.00652	11.9
165.05537	1.0
166.09778	1.7
167.04527	3.4
167.08182	1.9
171.07574	0.7
177.03358	4.6
179.04546	8.1
181.06107	1.3
185.05629	1.3
192.07718	0.7
197.05615	1.4
210.08817	7.7
222.97414	0.6
227.03444	1.2
228.09991	0.7
242.07774	1.2
254.07823	10.6
255.02771	2.9
272.08902	18.9
273.09140	0.9
284.03174	2.7
285.03912	1.4
288.06592	8.2
300.02679	1.3
306.07666	100.0
307.07861	4.4
311.05359	1.4
359.28406	0.6
777.76141	0.7
815.19965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70512	0.5
69.03320	1.7
69.14700	0.9
70.17194	0.6
71.01256	18.4
71.04884	2.7
72.99165	1.7
73.02822	2.1
78.95771	0.8
78.98457	0.7
79.95612	2.1
80.96394	7.6
81.03322	0.9
83.01246	1.3
85.02829	4.0
87.00757	3.7
89.02319	8.9
94.97958	1.3
95.01261	1.4
95.04876	0.9
96.95900	1.1
97.02817	5.3
97.06467	2.5
99.00763	10.8
101.01695	0.8
101.02329	10.9
109.06468	1.3
110.03629	0.6
113.02332	4.7
119.03409	2.0
122.97534	0.6
123.08023	1.4
125.02331	3.3
125.09612	5.5
128.74763	0.6
135.08054	1.2
136.05182	0.8
142.02609	1.5
143.03380	1.3
145.10083	0.7
155.14417	0.6
161.04422	1.7
163.11192	6.5
164.98570	0.8
171.10204	4.5
179.05505	1.4
181.12242	11.4
197.11780	1.4
199.13287	10.0
201.11208	1.5
207.10214	26.4
207.12204	1.3
208.10512	0.8
211.13339	1.2
212.13834	0.6
221.06587	1.9
223.04466	0.7
225.00671	1.0
225.11270	37.2
226.11539	1.9
235.08083	2.5
243.12343	10.7
253.09323	0.6
277.21732	37.3
278.21893	3.0
397.13507	10.3
398.14206	0.7
415.14523	3.0
420.82413	0.6
455.03461	0.6
605.24365	2.9
623.25800	3.1
641.27142	0.7
733.42987	0.7
739.21381	0.7
739.86829	0.8
787.07489	0.7
856.48059	0.7
883.47034	13.5
884.47046	2.2
901.47900	100.0
902.48163	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.2
69.30559	2.3
69.30977	4.9
71.01254	14.7
71.04887	4.5
72.99194	1.3
73.02821	2.1
74.85451	0.7
80.96387	2.8
81.03326	1.2
83.01262	1.1
83.04916	1.3
83.57590	0.7
85.02820	2.7
87.00761	2.5
89.02310	7.7
90.61614	0.7
95.01203	0.7
95.04884	1.3
97.02847	5.0
97.06462	3.0
99.00160	1.4
99.00763	16.7
99.50659	0.7
101.02332	8.5
109.06492	1.4
110.03655	0.7
113.02331	2.7
119.03377	0.9
119.48261	0.8
123.08025	2.2
125.02349	1.7
125.09628	9.0
127.03902	0.7
135.07999	0.9
142.02579	1.3
143.03433	0.9
156.41711	0.8
161.09607	0.8
163.11205	13.2
171.10211	1.7
179.05508	1.3
181.12274	14.1
197.11696	1.7
199.13290	6.6
207.10211	24.4
208.10555	1.0
221.06570	1.1
225.11282	32.5
226.11557	1.6
235.08055	1.0
243.12332	11.1
244.12669	1.2
277.21719	24.3
278.22168	2.4
321.76291	0.8
397.13608	5.3
415.14810	1.7
433.08060	0.9
623.25891	1.8
641.26654	1.5
901.47986	100.0
902.48315	23.0
908.09003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	10.9
71.57956	1.5
72.99191	2.7
73.02828	2.2
75.00751	18.2
81.83746	1.4
83.01250	1.7
85.02828	22.7
87.00735	1.6
89.02328	2.9
95.01266	2.5
96.95886	16.0
99.00773	3.6
101.02364	1.6
113.02326	17.9
118.93652	1.6
121.02757	1.5
128.03465	1.7
129.01775	1.6
145.06084	3.8
146.04536	1.9
157.01331	1.7
186.53583	1.5
196.00395	1.3
197.00737	1.6
197.11766	2.3
209.11729	2.6
211.13361	6.3
221.62590	1.3
228.65396	1.7
291.19595	1.6
309.20657	3.4
397.13589	1.5
415.14691	1.6
430.00275	1.4
455.35208	4.2
555.37030	4.2
631.38281	7.6
632.39014	2.8
653.36707	100.0
653.86951	2.6
654.36859	15.7
671.37671	16.0
713.38684	3.3
739.21533	2.5
815.47595	1.9
818.70557	1.6
835.45337	2.0
923.45569	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	901.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.4
70.34335	1.8
71.01258	18.2
71.04895	3.2
72.99191	1.2
73.02815	2.0
75.00751	1.0
78.95734	0.6
79.95598	1.0
80.02551	0.6
80.96386	3.8
81.03345	0.9
83.01255	1.4
83.04897	1.2
85.02822	2.3
87.00750	3.6
89.02318	8.5
94.97947	0.7
95.01261	1.3
95.04906	1.0
97.02827	5.1
97.06477	3.3
99.00761	16.0
101.02329	8.3
109.06442	1.7
110.03625	1.0
111.04361	0.6
111.94238	0.5
113.02329	4.9
119.03394	1.8
123.08038	2.2
125.02351	2.9
125.09615	7.3
135.08076	0.9
142.02626	1.2
153.12770	1.1
161.04520	1.2
161.09692	0.6
163.11197	11.9
164.98528	0.6
171.10179	2.8
179.05573	0.8
181.12270	11.9
182.12575	0.8
189.09218	0.7
197.11748	2.4
199.13341	6.4
207.10208	25.2
208.10527	1.1
215.12830	0.8
221.06612	0.8
225.00514	0.5
225.11278	31.4
226.11604	1.7
235.08243	0.9
243.12366	13.0
270.43951	0.5
277.21725	27.0
278.21997	2.6
293.21210	1.0
397.13550	7.3
415.14542	2.1
623.25342	1.4
641.26624	1.6
733.04456	0.7
803.42822	0.7
883.46320	1.0
901.47974	100.0
902.48254	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	901.2621
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02266	0.5
65.00201	1.0
70.85942	0.9
83.01257	0.4
93.03354	0.4
102.60849	0.3
107.01270	1.7
111.34272	0.4
132.02072	0.5
135.00780	0.4
143.04927	0.5
151.00299	2.8
159.04399	0.9
163.00270	0.8
169.01213	0.6
171.04427	0.4
178.99776	1.0
183.04414	2.5
187.03891	0.5
199.03923	0.4
211.03909	1.9
212.04478	0.3
225.91089	0.3
226.02679	0.3
227.03456	18.6
228.03893	1.5
229.05057	1.7
239.03442	0.8
255.02974	54.4
256.03500	4.3
257.04532	1.9
283.02487	31.3
284.03247	35.8
285.04001	14.7
286.04449	0.7
326.04129	0.4
446.08536	3.1
641.74713	0.4
739.20929	100.0
740.21179	13.9
740.34796	0.7
781.22156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2623
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02264	0.9
65.00195	0.8
72.84293	0.5
74.56123	0.5
82.75552	0.5
85.63413	0.6
98.19817	1.7
107.01271	1.6
117.03337	0.7
135.03383	0.4
143.05011	0.6
151.00266	3.7
159.04451	0.7
163.00336	0.5
169.01363	0.6
171.04489	0.5
172.78943	0.5
178.99750	1.1
182.03624	0.5
183.04434	2.0
199.03993	0.6
204.75432	0.4
211.03937	2.1
213.05551	0.5
217.61607	0.5
227.03438	17.3
228.03929	0.6
229.05006	1.4
229.92635	0.8
239.03439	0.9
241.05162	0.5
255.02968	51.1
256.03485	4.4
257.04449	1.8
283.02478	40.4
284.03244	60.6
285.03989	22.4
286.04440	1.4
327.04898	0.8
335.12585	0.6
350.54214	0.6
411.08301	0.5
446.08374	4.3
447.09094	0.7
488.56326	0.5
632.51056	0.5
739.20917	100.0
740.21198	12.1
781.22241	0.6
901.26294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	0.7
66.83217	0.3
70.89304	0.9
83.01273	0.5
84.74007	0.3
93.03249	0.3
94.44540	0.3
94.65511	0.3
107.01282	1.5
108.02062	1.1
117.03336	1.7
119.04916	0.4
121.02879	0.6
124.01584	0.3
133.02863	0.9
135.00801	0.6
145.02870	2.6
146.03221	0.4
148.01593	1.7
151.00282	6.1
152.00967	0.3
161.02335	2.1
163.00272	0.8
163.03874	0.4
164.01131	0.6
169.01323	0.6
178.99785	3.4
183.04559	0.3
187.03867	0.3
187.95206	0.3
199.03923	1.2
199.29349	0.3
201.02011	0.3
211.03983	0.6
214.02699	0.3
215.03430	0.8
216.04117	0.7
226.02711	1.8
227.03448	3.9
243.02965	9.9
244.03481	0.8
254.02184	2.1
255.02980	27.2
256.03275	1.5
271.02484	58.8
272.02997	5.6
273.04086	0.6
283.02289	0.5
284.03290	2.3
299.02087	3.3
300.02744	100.0
301.03296	12.0
461.43509	0.3
715.12872	0.3
739.21265	0.4
755.20367	19.5
756.20630	2.6
781.18225	1.3
901.24072	24.7
902.24493	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	901.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	2.3
65.00179	4.3
71.34509	1.3
71.34859	2.9
78.75975	1.2
81.20849	1.4
83.01237	1.9
93.03351	1.4
100.70214	1.5
107.01250	4.0
109.99967	3.8
111.13251	1.2
113.02351	1.7
117.03333	5.6
119.04920	1.6
132.02039	4.0
132.37976	1.4
133.02859	35.1
135.04396	4.4
139.00250	6.0
145.02872	8.9
151.00261	7.2
152.01109	2.2
159.04428	1.6
160.01620	2.2
161.02354	54.2
162.02615	2.6
165.98955	4.2
166.99777	1.5
169.01286	1.6
175.03909	1.8
178.99759	4.0
183.04439	3.7
187.03978	2.2
199.03897	4.7
211.03935	4.1
215.03450	1.9
226.06216	1.7
227.03450	44.1
228.03906	2.5
229.05045	3.1
239.03450	1.8
243.02988	11.6
243.06711	1.8
244.03561	2.1
254.02287	1.8
255.02980	100.0
256.03445	12.9
257.04440	5.6
271.02469	32.2
272.03226	8.7
282.01984	1.7
283.02472	28.9
284.03262	99.3
285.03955	31.1
297.03961	1.4
299.02002	6.8
300.02753	47.7
301.03452	10.0
314.04376	3.3
446.07352	1.5
739.19812	23.3
740.20233	2.9
755.20520	8.1
756.20190	2.2
765.18750	1.9
779.71423	1.9
792.37946	1.4
901.24042	65.7
902.24463	15.3
903.16327	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	901.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08569	0.7
65.00201	1.3
71.44781	1.8
76.61972	0.7
87.63292	0.7
96.88120	0.7
96.95900	1.0
100.87988	0.8
107.01277	2.7
108.02074	1.9
117.03337	2.3
145.02837	3.3
148.01590	1.3
151.00270	5.6
161.02367	0.9
163.00259	1.1
178.99718	2.4
179.76772	0.7
199.03857	0.9
209.18416	0.8
226.02684	2.1
227.03467	4.4
243.02956	11.4
254.02209	1.5
255.02972	27.9
256.03403	2.2
271.02472	60.6
272.02948	5.3
283.02484	2.2
284.03177	3.8
285.03851	1.3
299.02087	4.2
300.02750	100.0
301.03299	10.7
316.34811	0.9
517.18616	1.3
737.18604	1.2
739.19128	2.2
755.20410	19.6
756.20691	3.6
781.18756	1.9
901.24054	27.0
902.24139	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.7
71.01257	10.4
72.99165	1.8
73.02802	2.8
74.46196	0.9
75.00759	2.6
79.68868	1.0
80.96386	3.5
85.02814	3.7
87.00744	6.5
89.02319	5.1
95.01305	1.5
97.06409	0.9
99.00736	1.0
101.02320	7.1
104.37781	1.0
113.02354	3.5
119.03391	1.8
125.02366	1.7
135.02846	1.3
149.29199	1.0
161.04474	1.5
171.10329	1.2
175.02443	2.3
179.05687	1.0
179.10709	2.2
183.13817	3.6
193.12283	1.0
195.13873	1.2
197.11751	17.7
209.11736	1.2
211.13344	40.8
212.13594	2.0
213.14948	6.7
223.13414	3.0
229.46617	1.1
235.08221	6.6
235.13229	1.8
241.10719	1.6
241.14423	23.5
251.12816	3.5
253.09224	9.2
253.14474	3.5
259.13412	3.3
263.12854	2.7
274.14636	1.0
277.21725	100.0
278.22150	6.0
397.13571	2.3
429.21619	1.0
447.22238	2.2
459.22345	2.0
477.23557	3.3
487.21649	1.0
513.23505	1.4
513.30560	2.9
551.42944	1.2
559.22778	1.0
707.44098	1.7
737.44891	14.1
738.45270	2.3
747.43512	1.8
749.43817	1.2
759.43134	3.0
765.44800	2.3
773.44470	1.3
777.44946	2.2
781.43597	3.1
821.43903	1.2
837.46484	2.6
867.44879	1.3
899.46417	39.1
900.46515	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	899.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	1.6
69.03341	3.1
69.35355	9.9
71.01256	65.5
72.99184	4.2
73.02816	16.5
75.00759	2.0
80.79067	0.8
81.03334	1.1
83.01254	9.1
83.04906	2.9
85.02827	31.3
85.97459	0.9
87.00758	2.7
89.02322	15.6
93.03358	5.9
94.31244	1.3
95.01240	4.6
95.04871	1.4
96.95893	1.7
97.02840	4.1
99.00748	7.4
101.02325	43.6
102.02642	1.5
108.02113	0.9
111.00800	2.4
111.04398	2.2
113.02335	25.7
119.03384	7.9
121.02881	6.4
125.02316	6.7
131.03462	1.8
134.03635	1.3
139.03859	1.0
141.01767	1.4
143.03427	3.9
147.52066	1.1
149.05981	1.5
154.38982	1.0
159.02866	3.5
161.04480	17.5
179.05519	4.4
193.04974	1.1
203.05540	1.1
205.03551	1.2
221.06630	3.4
223.74084	1.2
245.06712	1.8
263.07742	2.7
302.89642	1.0
323.09836	7.2
497.29031	2.2
515.30164	13.0
607.19232	1.2
677.35419	22.7
678.35815	4.0
839.40680	100.0
840.40936	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	2.9
69.03320	2.5
69.35931	6.4
69.36339	23.6
71.00948	3.0
71.01259	29.4
72.99172	2.4
73.02795	3.8
83.04867	2.4
84.91915	3.1
85.02805	5.9
87.00774	7.0
89.02301	12.9
89.77390	2.6
96.42767	2.9
97.02850	3.0
98.20506	4.4
98.88080	2.8
99.00725	3.4
101.02335	11.4
111.08063	5.3
113.02293	8.1
119.03350	4.1
125.02312	3.1
131.08170	3.3
132.77832	2.3
136.64070	2.7
141.01544	8.5
156.04462	2.5
165.12732	6.9
171.10201	3.8
174.01572	3.0
175.02382	2.8
177.93451	3.1
183.13821	55.4
195.13795	5.5
209.11713	8.5
211.13336	16.7
211.74680	2.3
227.12747	5.8
235.08131	5.1
247.20648	2.8
253.09175	3.7
263.20193	3.4
289.18076	7.1
291.16730	4.6
291.19681	56.9
293.21164	6.8
294.21515	2.8
307.19012	5.1
377.39679	2.9
397.13751	16.0
415.14615	5.1
625.26288	3.9
683.87042	2.7
899.28802	5.7
899.46027	100.0
900.46777	19.6
904.76526	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	899.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	8.7
71.58005	1.5
72.01604	1.0
73.02831	1.5
75.00758	5.1
83.01281	2.2
85.02829	6.2
87.00782	1.7
88.98682	100.0
89.02325	2.7
92.93375	0.8
96.95884	4.0
99.00750	6.1
101.02340	3.9
113.02330	6.1
145.06082	1.8
186.97092	1.0
209.11844	1.0
378.57819	1.0
399.85782	0.9
471.35178	1.4
532.38025	1.0
585.38391	1.8
629.37292	1.8
798.79608	1.2
809.43353	66.4
810.43671	12.5
899.48633	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	897.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	3.4
71.01253	8.9
72.99190	3.1
75.00739	2.7
78.74432	1.9
79.53094	1.6
79.95615	4.7
80.96400	16.4
85.02811	2.9
87.00736	3.6
89.02307	3.2
89.86509	1.8
93.36081	2.0
94.97956	2.6
96.95857	2.4
97.02806	9.7
98.20544	6.6
99.00723	2.4
101.02316	5.7
101.69208	2.1
112.98683	5.4
113.02308	2.6
114.01844	3.0
130.53191	1.9
137.09637	3.4
140.03432	2.9
142.99712	2.4
152.43350	1.7
154.99802	2.0
161.04466	2.8
165.12698	5.2
168.02863	4.0
171.10233	9.5
173.00842	3.4
193.12349	2.6
197.11777	13.8
209.11775	13.5
211.13356	8.5
223.13225	2.0
225.00673	6.3
227.12862	7.2
228.05168	4.1
229.58118	2.8
247.20564	2.8
253.09238	19.7
255.02602	2.3
270.41812	1.9
273.18521	2.6
277.21689	18.4
291.19650	50.6
292.20126	3.9
309.20709	100.0
310.21066	7.2
397.13675	2.4
545.29602	4.2
765.40662	4.1
808.09399	2.3
867.43884	7.0
880.44183	4.0
897.46320	17.6
898.46777	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	897.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	0.5
69.02913	0.5
69.03300	2.7
70.63260	1.5
71.01259	16.3
71.04895	0.7
72.99190	1.7
73.02829	1.9
83.01268	1.6
85.02824	4.6
85.06481	0.8
87.00745	3.5
89.02320	12.9
95.01276	0.8
95.04884	0.6
95.98550	0.5
96.95901	1.4
97.02837	2.1
99.00766	1.2
101.02316	10.4
106.41879	0.5
113.02331	5.9
119.03401	3.5
125.02343	4.3
125.09638	0.6
131.03413	0.8
143.03419	2.3
149.03079	0.5
161.04489	2.7
167.03450	0.5
167.10709	2.4
171.10205	0.7
177.12639	0.6
179.05531	3.3
179.10699	0.9
179.14368	2.9
195.13847	14.5
196.14319	0.9
199.48230	0.5
205.12277	6.3
211.13321	0.7
217.07184	0.6
217.31491	0.6
221.06619	1.2
223.13359	67.6
224.13724	2.3
225.14864	1.2
231.21140	0.5
235.08253	3.3
253.09332	0.8
256.13275	1.2
256.37347	0.5
265.21808	1.0
275.20157	5.2
277.21848	1.4
287.07858	1.1
291.19623	1.1
293.21237	100.0
294.21585	6.4
305.08804	0.8
323.09787	1.5
341.10919	0.8
379.12445	2.3
397.13510	30.6
398.13889	2.3
415.14630	11.0
441.21500	0.7
461.09418	0.6
499.34451	0.7
603.26563	3.0
621.27594	7.0
622.27460	0.8
654.28125	0.7
673.34283	0.7
691.35779	1.6
719.70868	0.6
786.62512	0.6
897.47461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01230	0.6
75.00742	3.6
78.95766	6.9
80.96410	0.8
83.88028	0.6
98.20568	1.6
101.48727	0.5
110.98406	4.0
116.92735	0.8
167.01025	1.9
172.58028	0.6
185.02126	4.1
190.72572	0.8
202.59128	0.6
209.11868	0.5
212.75208	0.6
219.75394	0.6
261.22208	0.6
277.21652	0.8
279.23285	100.0
280.23596	5.7
290.18387	0.6
291.19357	0.7
447.25189	36.4
448.25623	2.0
615.98340	0.6
697.19171	0.7
737.93311	0.6
895.45868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45013	0.8
64.68405	0.8
69.03332	2.8
71.01252	15.8
72.99197	1.8
73.02817	1.9
80.96386	1.1
83.01266	1.7
83.04907	1.0
85.02811	4.9
87.00763	5.1
89.02313	12.1
95.01287	1.3
97.02852	1.6
97.97177	0.7
98.02145	0.7
98.19778	2.4
99.00778	1.4
101.02335	12.1
106.89935	0.8
111.44353	0.8
113.02325	5.9
119.03403	3.7
125.02305	4.5
126.13484	0.8
131.03461	0.8
143.03397	1.3
153.29202	0.7
161.04468	2.9
167.10712	2.4
171.10187	1.4
174.90208	0.8
179.05515	2.7
179.10762	1.0
179.14311	3.6
195.13829	13.6
205.12291	8.1
208.60341	0.8
211.13380	2.0
221.06721	1.8
223.13345	70.6
224.13695	2.9
228.13640	1.1
235.08247	3.9
253.09274	1.5
263.07803	0.8
265.21530	0.8
275.20139	5.2
277.21707	2.4
287.07758	1.3
291.19998	0.9
293.21219	100.0
294.21548	5.8
308.52304	0.8
323.09973	1.2
379.12427	3.1
397.13498	33.1
398.13803	1.7
402.66101	0.9
415.14655	11.6
457.73172	0.8
526.49017	0.8
531.19519	0.9
603.26648	3.2
621.27728	6.3
691.35297	1.2
722.42114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35979	4.2
71.01256	15.8
72.99198	7.9
83.01263	5.9
87.00703	6.9
97.02772	6.3
97.06499	9.3
101.02312	8.3
105.10336	5.1
111.08031	23.2
113.02345	9.2
124.54902	4.3
125.09552	7.9
151.11201	7.1
153.93166	4.5
161.04512	5.2
163.11221	7.9
165.12726	8.2
168.02995	4.9
169.12268	10.0
179.10666	4.8
181.12250	6.7
197.11797	75.7
199.13458	8.2
207.10258	9.0
209.11769	23.4
211.13342	16.1
229.42006	5.1
235.08267	7.9
245.19167	14.0
253.09309	33.1
263.20267	10.9
277.21625	8.9
279.23169	13.9
279.26120	4.7
289.18118	80.0
290.18335	6.2
291.19672	42.0
307.19171	91.3
308.19617	6.9
309.20721	100.0
310.21106	10.3
445.20844	9.3
447.24832	7.0
543.28241	9.7
749.35327	4.6
766.76941	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	895.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01744	0.4
68.99696	3.0
69.03323	1.6
71.01257	40.1
71.04906	0.4
72.01601	0.4
72.99188	3.9
73.02443	0.7
73.02824	9.2
75.00750	14.0
79.24191	0.3
80.18763	0.4
83.01263	3.8
85.02824	23.6
85.99972	2.9
86.03175	0.5
87.00755	11.0
87.04404	3.5
87.04862	0.6
89.02324	7.0
95.01273	4.6
96.95877	0.9
97.02834	1.1
99.00759	13.7
99.04404	0.5
101.02318	6.8
103.03908	1.6
109.06479	0.6
111.00775	0.6
112.01551	0.7
113.01542	0.6
113.02331	11.6
115.03893	3.3
119.03408	0.5
122.12631	0.4
125.02326	0.9
126.49725	0.3
131.03403	10.0
143.03401	8.5
143.04498	0.3
145.04968	1.7
157.01323	1.2
161.04433	0.5
163.06001	1.2
171.10194	0.5
179.48042	0.4
189.04027	0.5
205.07129	5.2
207.10176	1.9
209.11806	0.5
211.13329	5.9
225.11295	1.4
265.18365	0.4
397.13480	1.4
439.35895	4.1
509.40057	1.3
599.39447	1.1
722.12305	0.5
817.39099	0.7
833.51666	0.5
877.49506	1.1
895.50616	100.0
896.50916	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	895.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	13.3
78.57683	3.7
80.96368	3.5
83.01262	6.1
85.02805	3.6
87.00762	3.1
89.02299	3.8
95.90836	3.2
97.02811	11.6
101.02316	9.8
112.87925	3.4
113.02299	5.3
123.04404	3.4
125.09612	7.7
137.09584	5.3
147.24657	3.4
154.99730	8.0
161.04491	3.9
163.11156	10.2
165.12770	9.9
168.02898	7.9
171.10144	10.4
173.00804	9.6
185.11694	7.4
187.39568	3.5
191.14346	6.8
197.11806	4.5
207.10355	5.2
209.11749	19.3
211.13231	5.1
225.11324	3.8
227.12865	7.1
235.08211	6.1
245.19119	11.9
247.20596	5.5
253.09354	23.5
277.21750	10.4
289.18085	75.1
290.18533	5.8
291.19653	61.8
292.19968	5.6
307.19138	74.7
308.19476	4.4
309.20700	100.0
310.21063	9.4
576.37579	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	895.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	3.9
69.31516	21.7
71.01258	14.9
81.03346	3.5
83.01246	2.4
83.04897	3.0
85.02806	5.1
87.00760	6.5
89.02330	5.9
95.04881	2.8
97.02836	4.9
97.06455	5.3
98.20517	3.6
99.00770	5.2
101.02319	13.5
109.06424	2.1
111.04398	2.6
111.08047	6.2
113.02315	5.7
119.08592	1.9
123.04408	3.6
125.09599	2.6
130.54526	2.1
132.47968	2.1
144.93594	2.5
161.04321	2.9
163.11252	4.0
165.12784	3.2
167.03526	2.1
168.02914	4.6
169.12296	3.0
181.12415	3.7
185.11818	3.4
191.14381	3.3
197.11774	34.6
199.13203	2.2
207.10254	4.7
209.11795	14.0
211.13358	9.6
221.11760	5.7
225.11284	7.8
227.12866	9.8
231.13852	2.5
235.08154	10.5
237.11270	6.8
237.15190	2.6
239.12863	11.6
245.19104	7.6
249.14931	5.8
253.09277	20.6
263.20059	3.6
265.10629	2.6
275.13028	5.3
277.21735	100.0
278.21985	8.2
289.18106	39.5
291.19647	19.0
293.13937	4.5
307.19211	36.3
309.20734	44.8
481.17130	2.7
580.23450	2.3
618.99841	2.4
721.41364	5.1
735.44250	2.5
759.39435	3.7
777.41296	6.1
779.42255	5.8
815.42224	4.5
821.43585	8.0
833.42981	15.2
834.43335	3.1
851.45569	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	895.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	29.0
72.99186	6.7
73.02832	3.9
75.00739	6.2
83.01272	7.2
85.02818	8.3
87.00747	11.6
89.02309	11.6
95.01295	4.3
95.04913	7.2
97.02818	6.5
98.20551	8.8
99.00753	9.5
101.02318	16.0
111.00732	3.6
111.04359	5.0
111.08049	7.9
113.02379	7.1
119.03404	3.7
123.04435	6.4
125.02368	5.6
125.09627	4.6
139.03957	6.4
154.99767	3.6
157.10324	3.6
163.11121	5.2
165.12794	7.6
168.03011	3.8
175.11157	4.6
177.12747	5.2
181.12326	5.2
183.13852	7.0
193.12259	14.4
197.11726	16.5
207.10155	10.7
209.11725	8.2
211.13344	9.9
219.10252	8.3
221.11827	16.3
223.13359	5.1
225.11330	21.2
227.10666	5.3
227.12798	34.8
235.08049	3.7
237.11345	19.0
237.14929	6.8
239.12839	31.2
240.71019	3.2
245.19081	5.0
249.14873	13.2
251.12877	4.6
253.09309	23.5
263.12869	3.9
265.10941	3.3
275.12766	11.7
277.21729	100.0
278.22110	6.9
289.18088	23.5
291.19592	11.3
293.13904	9.8
307.19174	24.4
309.20770	32.8
310.20837	4.4
461.20148	6.7
475.21915	6.2
481.16949	8.9
499.18265	7.0
529.22955	6.1
707.89569	3.6
719.92114	3.7
759.39691	9.5
777.41510	14.4
779.42407	8.1
789.44012	5.6
791.41028	4.1
805.67676	3.8
821.42316	17.5
833.43292	25.0
851.43335	16.2
918.80310	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	895.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	100.0
72.40451	3.6
73.02821	8.2
75.00732	4.9
78.23882	4.3
79.77179	4.0
83.01286	5.1
85.02831	12.3
87.00757	8.1
89.02328	20.5
94.61055	4.1
96.95924	8.2
97.02824	9.4
98.20586	7.3
99.00727	9.1
101.02317	23.4
102.36440	4.1
109.06483	15.3
113.02340	13.1
131.03378	5.7
143.03459	5.3
163.11172	12.6
171.10141	6.9
183.13922	4.4
196.35010	4.6
199.09592	4.2
201.11232	5.8
207.10204	39.0
209.11795	13.3
211.13341	69.8
212.13741	4.4
225.11267	28.7
232.23979	4.2
304.56714	3.8
397.13464	23.8
415.14691	8.9
817.38440	16.8
818.39294	4.9
895.50751	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	3.5
71.01258	27.9
72.99183	4.1
73.02808	3.5
74.28057	2.3
75.00738	5.1
78.95776	2.6
81.80988	2.6
83.01257	4.1
83.04890	2.9
85.02831	7.5
87.00748	7.3
89.02323	7.8
89.89487	2.6
93.03353	2.8
95.04905	7.5
96.95883	2.6
97.02819	5.9
97.06465	2.9
98.20584	4.3
99.00744	7.7
101.02329	12.8
109.02823	4.1
111.00729	3.2
111.04426	3.1
113.02325	7.4
119.03400	3.3
121.06496	3.5
123.04375	3.8
123.08025	3.6
124.01527	4.0
125.02303	4.8
125.09625	2.8
137.02272	2.7
163.11163	4.3
165.12715	5.3
167.03410	5.7
171.10197	4.1
175.11148	6.9
177.12764	2.8
183.13824	6.6
185.11649	2.8
193.12248	10.3
197.11726	6.4
203.10683	3.4
207.10178	8.9
209.11812	8.0
211.13377	3.8
219.10202	4.7
221.11806	19.3
223.13451	2.9
225.11226	14.9
227.12852	20.7
231.13947	2.9
233.11736	3.2
235.08229	4.1
237.11270	15.0
237.14850	3.9
239.12848	48.3
247.13446	3.9
249.14920	11.8
251.12836	7.3
253.09184	11.5
263.12720	4.5
265.10724	4.4
275.12958	9.2
277.21732	100.0
278.22006	8.4
289.18298	5.5
293.13925	11.1
307.18988	3.0
309.20645	11.0
455.80838	2.8
457.20856	3.4
475.21704	9.2
481.17007	4.1
499.17725	3.8
529.22784	3.9
721.41760	3.4
735.43610	4.4
759.39325	7.9
771.76593	2.9
774.39764	3.2
777.41394	4.8
778.41376	3.3
779.42432	8.5
789.44104	6.1
803.42065	4.7
815.42383	8.3
821.43164	15.8
833.43292	22.7
834.44501	4.1
851.44122	17.6
895.48120	6.4
924.60480	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	893.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	7.5
71.57073	1.9
71.57449	1.9
72.99190	2.1
81.03313	2.9
83.01278	4.1
83.04913	2.0
87.00751	3.3
89.02315	2.6
95.04914	1.8
96.95894	1.5
97.02829	2.6
97.06471	4.7
101.02364	7.7
113.02356	3.2
123.04378	4.0
123.08027	2.1
125.09615	8.3
135.08038	2.2
137.09604	4.7
145.56119	1.6
151.35718	1.7
161.04491	2.0
161.09615	2.5
163.11211	9.8
165.12714	3.3
185.11752	9.6
191.14333	11.2
200.71672	1.9
207.10219	8.3
209.11760	25.2
211.13342	3.6
223.68086	1.8
225.11227	6.0
227.12778	1.9
235.08116	4.0
237.11279	5.7
245.19025	23.4
246.19418	2.2
253.09221	14.9
255.23302	2.8
263.20239	3.7
271.17026	5.3
277.21808	2.4
289.18103	100.0
290.18481	8.8
291.19745	2.2
307.19147	83.1
308.19492	4.3
384.26419	1.7
418.25385	1.9
454.93143	1.8
583.66888	1.7
764.10376	2.3
830.80017	2.0
929.48602	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	893.49
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55098	0.9
68.99683	2.9
69.03320	1.1
71.01260	34.3
71.12953	2.2
72.99188	4.8
73.02825	8.9
75.00755	15.9
83.01260	4.0
84.02049	0.8
85.02830	22.3
85.99959	3.0
87.00761	11.0
87.04388	3.0
87.72533	0.8
88.98689	2.2
89.02335	6.6
91.74390	1.0
92.65402	0.9
95.01269	3.9
96.95893	3.4
97.02862	1.1
99.00768	14.3
101.02318	7.5
103.03905	1.9
111.00803	1.1
113.02328	11.3
115.03883	4.1
116.56188	1.0
116.92749	1.2
125.02319	1.0
131.03409	12.8
141.69481	0.9
143.03419	6.9
145.04965	2.8
157.01370	1.3
163.06038	2.5
171.10210	1.4
197.11687	1.4
205.07127	3.1
211.13321	1.4
253.09229	1.7
309.20676	5.7
310.21100	1.0
311.25473	0.9
327.21921	5.6
328.22037	1.2
373.14465	1.0
408.98233	1.0
437.34500	5.4
507.38599	1.7
563.30389	1.2
727.13928	1.0
834.03601	1.1
875.47400	2.0
893.49054	100.0
894.49500	17.9
924.96173	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	893.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87497	0.2
71.01257	0.5
75.00764	0.2
78.95780	0.2
79.95608	3.0
81.95179	0.7
83.99426	0.2
85.02815	0.2
96.95892	100.0
97.02781	0.2
97.95811	2.5
97.96331	0.3
98.95474	27.6
98.96294	4.0
99.00802	0.2
99.92462	7.5
100.92503	0.2
100.93246	0.5
108.67551	0.2
115.91965	7.4
116.92748	18.9
117.92750	0.9
126.94804	0.3
138.12431	0.2
141.81761	0.2
141.93520	0.6
142.94328	0.4
154.94283	0.2
160.19872	0.2
169.93135	0.2
170.93823	0.8
196.95410	0.3
226.96437	0.4
229.88680	0.2
231.69574	0.2
244.97588	0.3
342.43976	0.2
400.98050	0.2
435.66953	0.2
493.89053	0.2
584.88184	0.2
625.47076	0.2
795.44067	0.6
813.35516	0.3
857.34021	0.3
893.36237	9.4
894.36108	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	893.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84318	1.1
69.03333	3.1
69.31998	10.0
71.01254	93.7
72.01658	1.1
72.99185	2.5
73.02820	84.8
74.80988	1.2
75.00751	2.7
81.03354	1.6
81.35325	1.1
83.01263	34.4
85.02823	12.4
87.00767	2.8
89.02321	17.6
95.01274	3.0
96.95911	1.7
97.02840	2.1
98.19782	2.2
99.00766	1.9
99.04338	1.1
101.02325	100.0
102.02629	1.9
113.02332	38.1
117.01768	1.2
119.03407	12.1
125.02341	3.8
131.03391	12.5
134.03593	1.5
143.03389	10.7
149.04465	22.6
154.96359	1.0
155.03427	3.4
161.04480	41.8
161.05833	2.2
161.81946	1.1
193.05035	1.6
195.06474	1.2
196.06766	1.3
203.05551	6.3
212.77089	1.1
221.06619	15.1
227.03465	4.2
243.16460	1.1
255.02985	6.1
257.56854	1.2
268.41052	1.3
283.12079	1.3
284.03198	7.4
285.03958	2.3
325.12958	1.6
330.80389	1.2
332.16516	1.2
361.29666	2.7
523.34863	33.7
524.35181	4.4
541.06354	1.2
840.79993	1.2
893.28900	2.4
894.28754	1.4
911.76367	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	891.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99697	3.6
69.03311	3.7
71.01257	24.0
71.57986	3.3
72.99189	2.7
73.02825	1.6
74.03464	1.5
75.00749	19.0
79.64090	2.0
85.02822	12.9
87.00723	3.3
89.02321	12.4
95.01257	2.6
96.95898	13.8
97.02826	5.1
97.06507	1.5
99.00759	16.7
101.02315	2.8
113.02330	11.5
116.92712	1.6
125.02339	7.6
126.90258	7.3
131.03397	1.7
157.01317	1.9
171.10063	2.2
252.99393	1.4
253.09354	2.1
284.98010	2.2
309.20761	3.9
327.21494	2.5
453.72226	1.6
589.15375	1.7
707.88312	1.9
742.70844	1.6
763.43134	5.9
891.47430	100.0
892.47906	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	893.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04733	18.5
71.01253	76.4
73.02821	26.3
83.01292	8.1
83.30132	3.3
85.02825	44.1
89.02329	6.1
95.01274	8.4
96.95943	4.1
99.00759	13.0
100.43999	4.0
101.02319	52.0
113.02345	27.1
117.37165	3.3
121.02908	6.6
122.03632	5.2
143.03423	6.2
147.04466	5.7
159.02872	6.2
161.04478	26.2
165.05489	15.7
205.39215	3.5
255.02980	5.9
280.45071	3.6
283.11844	77.0
284.03528	5.2
284.12289	4.5
299.01990	4.8
325.12906	27.6
343.15320	4.9
361.16635	33.0
523.21790	100.0
524.22168	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	891.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.1
77.69497	0.1
78.95760	0.1
79.95611	3.4
94.97957	0.1
95.97472	0.1
96.95892	100.0
97.95811	0.2
98.19742	0.1
99.00783	0.1
113.92474	0.1
114.93275	0.2
147.92233	0.1
229.58452	0.1
551.09454	0.1
793.43817	0.6
794.44086	0.1
891.38080	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	891.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46115	1.0
69.46535	0.8
71.01247	0.5
75.00761	0.9
75.86510	0.2
78.95782	0.9
79.95612	3.6
85.02831	0.3
86.05709	0.2
96.95892	100.0
97.95831	0.4
111.00741	0.4
114.57688	0.3
115.42458	0.2
134.04646	0.3
151.55005	0.2
201.11249	0.4
793.43945	1.3
794.44214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99688	1.9
71.01250	18.5
71.57469	2.6
72.99165	4.4
75.00743	10.0
76.06087	1.4
79.39442	1.2
83.01237	2.9
85.02821	14.1
87.00754	3.6
89.02331	9.7
93.64088	1.4
95.01232	3.4
96.95906	4.9
97.02716	1.5
99.00766	13.2
101.02306	8.1
109.84163	1.4
111.90862	1.5
112.01604	2.3
113.02338	12.5
116.92755	2.9
128.50980	1.4
139.00378	1.8
157.01280	2.7
171.10133	1.7
183.13687	1.5
201.11313	2.0
299.44043	1.8
301.58350	1.5
309.20776	2.9
331.93579	1.7
342.07315	1.4
358.81580	1.6
382.28613	1.4
386.09598	1.5
423.32690	1.7
457.82230	1.7
469.32983	2.1
471.34644	5.3
585.38208	4.0
588.43298	1.6
603.39343	2.4
629.36951	3.9
779.83887	1.6
809.43329	100.0
810.43774	18.2
831.41296	19.2
832.41187	2.0
862.67035	1.7
875.41486	3.0
891.43604	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	889.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	15.2
72.99182	1.9
73.02828	2.3
75.00751	2.8
83.01259	3.8
84.49644	1.9
85.02824	10.7
87.00761	2.3
94.87023	1.6
96.95892	7.2
97.02887	2.3
98.20596	5.5
98.95468	2.7
99.00816	2.0
101.02341	5.5
102.78955	2.0
108.89043	1.7
113.02323	5.8
121.41187	1.6
135.08078	5.8
143.75916	2.5
149.06004	9.6
150.06779	90.0
151.07181	2.9
162.06795	13.7
163.07565	82.6
164.08348	24.0
176.08357	2.6
177.09166	15.3
178.09927	4.2
179.10710	75.5
327.28802	2.1
464.35150	5.8
478.36359	2.1
479.37582	9.9
608.39227	3.3
622.40955	4.4
623.41589	33.5
624.41840	3.1
626.40741	2.9
640.41895	20.6
641.42731	40.0
642.42755	5.8
682.43042	42.0
683.43762	100.0
684.43976	12.0
785.46838	17.4
786.47021	4.6
803.48059	13.6
804.48212	3.8
825.10760	2.1
845.49048	99.1
846.49530	14.5
851.45532	2.3
889.41284	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	889.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	5.2
69.03341	3.0
70.46843	2.3
71.01256	24.3
72.99184	1.9
73.02809	1.7
75.00745	14.6
83.01260	2.3
85.02823	7.7
86.82026	0.8
87.00762	1.2
89.02320	10.6
95.01247	3.0
96.95907	3.3
97.02840	6.6
99.00759	14.3
101.02340	3.8
113.02337	4.9
125.02336	13.7
129.01845	1.1
131.03401	1.7
143.03429	1.3
157.01294	1.1
171.10262	1.0
181.14395	0.6
199.13412	0.9
205.45142	0.6
245.60243	0.7
245.83034	0.6
250.94888	0.6
309.20844	1.0
327.21783	1.1
342.23795	0.8
360.96594	0.8
504.42184	0.8
739.11548	0.6
739.39850	0.9
828.88287	0.7
889.45898	100.0
890.46265	18.7
918.51599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25546	7.4
69.25970	11.9
69.34371	1.9
71.01260	14.4
73.02834	1.9
75.58956	1.4
83.01248	1.7
85.02826	3.9
86.16105	1.6
87.00751	3.5
89.02343	10.6
95.01283	1.9
97.02827	2.7
101.02322	11.2
113.02331	4.6
119.03418	3.4
125.02367	2.6
129.26318	1.7
150.04073	2.1
161.18689	1.5
169.12285	18.6
171.10193	48.0
179.05553	1.9
213.11278	2.9
221.06570	2.3
235.08191	1.9
248.30930	1.5
277.21741	38.9
278.22119	2.7
314.18100	1.9
397.13403	9.4
415.14862	2.3
603.41486	1.8
629.54572	1.6
871.47351	3.9
889.48053	100.0
890.48242	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	889.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01818	1.2
70.86467	4.3
71.01264	17.0
72.99165	1.6
73.01645	1.4
73.02808	3.6
83.01263	3.0
85.02832	6.3
87.00732	3.6
89.02335	13.0
93.93172	1.2
96.95873	2.0
97.02817	2.9
99.00739	2.2
101.02331	13.6
111.54612	1.3
113.02286	6.3
116.92743	1.9
119.03394	3.1
125.02354	2.8
127.11163	2.3
148.47542	1.5
148.70732	1.3
150.04080	1.6
151.11192	3.8
161.04478	2.5
169.12270	28.0
171.10194	80.5
172.10544	3.4
179.05556	1.8
184.98914	1.4
209.11780	3.1
213.11223	4.7
221.06566	2.7
231.12340	4.2
235.08235	3.6
277.21753	33.9
278.22134	1.8
379.12372	3.2
397.13364	9.7
415.14667	2.3
423.48965	1.5
611.59906	1.7
629.26257	1.8
631.09528	1.6
871.46521	5.0
889.48022	100.0
890.48370	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	887.4648
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98699	1.0
66.95216	1.0
69.03334	2.4
70.23671	0.8
71.01259	16.4
72.99193	2.2
73.02821	2.8
75.00743	3.0
78.95760	1.2
79.95605	1.6
81.35712	1.2
83.01266	1.9
85.02818	4.3
87.00755	3.8
89.02316	12.5
95.01288	1.0
97.02838	3.0
98.19719	1.5
99.00801	1.5
101.02318	11.6
107.95077	0.9
113.02338	7.4
119.03388	2.5
119.49104	0.9
123.08060	1.5
125.02322	3.0
125.09618	3.8
126.99816	1.1
131.31393	1.0
139.11235	1.7
141.12749	1.3
143.03381	1.2
161.04453	1.8
167.10674	2.8
171.10173	3.1
179.05476	1.7
185.11752	73.6
186.12125	2.2
188.02084	0.9
201.11275	1.7
209.11821	3.4
210.11888	1.2
211.13286	1.3
221.06635	4.2
227.12827	1.5
229.10666	1.8
235.08212	2.3
259.43774	1.0
277.21707	28.7
278.22012	3.3
379.12497	1.3
397.13492	9.8
398.13986	2.0
415.14578	2.3
543.14148	1.0
627.25555	1.2
887.46503	100.0
888.46790	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	889.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	100.0
72.99141	3.8
73.02819	96.1
73.22965	2.7
75.00710	3.0
83.01258	30.5
85.02819	13.6
87.00765	7.0
89.02329	21.3
92.58585	3.2
96.95915	7.3
98.19648	6.5
99.00756	4.5
101.01701	5.4
101.02328	86.2
102.02621	3.7
113.02334	44.4
119.03362	9.9
122.13525	3.3
125.02293	8.7
131.03384	9.1
136.01553	6.5
143.03378	10.4
149.04434	20.7
151.00282	6.6
151.03944	15.4
153.60616	3.5
161.04488	26.0
184.72264	3.1
187.04077	3.7
203.05563	4.8
208.56372	3.2
210.75958	3.4
221.06554	3.8
227.03485	4.2
229.69685	3.6
229.87865	3.5
243.02864	9.8
255.02968	4.5
271.02548	21.7
285.03940	6.9
299.01880	35.9
300.02393	9.5
313.35370	3.6
314.04419	24.0
315.04971	7.1
319.06189	3.7
357.13342	23.7
405.14032	3.6
718.40753	4.1
799.62592	3.7
889.24542	27.3
890.25140	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	887.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61411	1.0
69.03330	1.6
71.01250	18.6
72.99172	1.9
73.02798	1.9
74.38828	1.1
75.00739	3.2
80.96381	2.9
81.03342	1.8
83.01268	1.3
83.04910	1.8
85.02833	5.9
87.00739	3.8
88.34570	1.3
89.02322	10.4
97.02829	2.8
97.06471	2.5
98.20612	3.9
99.00727	1.7
101.02325	11.4
113.02313	4.3
119.03404	2.7
125.02317	3.5
125.09590	3.4
139.11169	2.5
143.03392	1.6
146.90939	1.4
161.04471	2.9
161.70229	1.2
164.07076	2.2
167.10609	2.0
171.10124	1.7
179.05479	2.9
185.11757	40.4
186.12030	1.8
201.11188	2.1
209.11736	11.8
210.12114	4.5
211.13365	1.8
221.06625	3.0
227.12831	2.7
229.14278	1.9
235.08118	1.9
267.49860	1.2
277.21713	40.6
278.22079	5.5
282.08847	1.2
293.21176	1.3
304.92871	1.5
318.23932	1.4
379.12375	1.9
397.13528	12.4
398.13913	2.4
415.14569	3.2
729.34351	1.5
887.46503	100.0
888.46771	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	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.4
67.51721	0.3
68.99687	0.3
69.03335	1.3
70.71307	0.3
71.01257	16.4
71.56996	0.5
71.57439	0.5
72.99189	1.4
73.02814	2.3
75.00776	0.7
79.95623	1.0
80.02547	1.0
81.03339	1.4
83.01272	1.4
83.04900	5.9
84.02042	0.8
85.02827	4.1
85.39178	0.3
87.00748	4.4
89.02321	13.2
95.01286	1.3
95.04931	0.6
95.51217	0.3
96.95894	0.7
97.02841	3.0
99.00781	0.9
101.02326	11.4
106.07016	0.4
109.02839	0.4
109.06408	0.4
111.37038	0.3
113.02336	7.8
115.03957	0.4
115.40130	0.3
119.03401	3.8
125.02340	5.7
125.05975	0.9
127.03889	0.4
127.05034	0.9
131.03371	0.7
133.04973	0.4
135.08037	0.7
139.03902	0.3
141.01828	0.4
143.03439	2.1
145.04988	0.5
145.06096	4.3
156.72083	0.4
161.04478	3.1
163.11192	3.9
165.12784	2.4
167.03392	0.5
171.07687	0.4
179.05533	3.3
181.12279	0.6
183.13730	0.5
191.10707	0.8
195.13890	0.4
199.06020	0.4
199.13287	0.4
209.11777	100.0
210.12111	5.0
211.13353	2.3
217.07191	0.5
221.06648	1.5
225.11349	0.7
227.12869	10.7
227.15114	0.6
228.13141	0.5
235.08192	5.2
251.12927	0.7
253.09250	1.3
259.08078	0.4
263.07700	0.8
266.72650	0.4
275.20145	0.5
277.21725	46.7
278.22037	4.0
287.07678	1.4
293.21231	3.7
305.08679	2.1
323.09821	1.0
379.12479	4.9
380.12375	0.4
397.13501	34.2
398.13876	2.0
415.14618	8.0
416.14960	0.8
589.24725	0.5
607.25885	0.9
885.47748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2462
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
61.34583	0.3
63.02255	1.1
65.00204	1.5
67.91772	0.3
69.78329	2.1
76.03087	0.3
83.01255	0.8
93.03348	0.6
98.20441	0.6
103.62523	0.4
107.01276	2.7
117.03351	19.0
117.67338	0.4
118.03762	0.4
119.04941	1.6
132.02075	1.4
135.00760	1.2
137.02303	0.4
145.02858	30.9
146.03200	1.2
151.00285	4.1
155.04909	0.5
159.04384	0.6
163.00279	2.0
163.03969	0.4
164.01048	1.0
164.11569	0.4
167.04892	0.4
169.01347	1.3
171.04355	0.7
178.99803	2.0
182.03732	0.5
183.04431	2.1
185.02406	0.9
185.05992	0.8
187.03946	1.4
195.04340	0.5
197.05920	0.4
199.03952	1.0
200.04791	0.5
211.03963	2.8
212.04697	0.4
213.01823	0.3
213.05533	1.0
214.12894	0.4
227.03450	51.8
228.03841	3.7
229.05069	2.0
239.03439	1.4
255.02975	92.6
256.03528	11.2
257.04453	2.8
274.68549	0.3
281.04538	0.4
283.02512	5.1
284.03262	100.0
285.03925	22.7
286.04364	1.1
309.04205	0.4
327.05173	0.6
339.05133	0.4
374.48685	0.3
397.06628	0.4
450.71960	0.3
455.57788	0.4
575.13422	0.5
721.19940	1.1
739.20941	11.2
740.21765	1.7
765.18616	1.0
885.24567	37.8
886.24823	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	885.4851
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
63.46469	1.3
64.11633	1.2
69.31673	14.1
69.32066	3.2
71.01260	27.4
72.99172	3.0
73.02820	4.2
81.03340	1.9
82.59726	1.3
83.01247	2.5
85.02818	6.3
87.00742	5.7
89.02324	19.5
95.01284	2.9
97.02822	3.9
101.02328	20.4
113.02354	8.3
119.03388	3.7
125.02368	3.7
143.03395	1.8
161.04514	1.7
163.49367	1.2
165.12785	9.1
173.85994	1.3
179.05524	4.4
183.13834	98.3
184.14142	5.1
209.11902	2.1
212.02454	1.3
218.44365	1.4
221.06618	4.9
227.12842	6.0
235.08243	2.5
235.38278	1.7
245.08661	1.3
277.21750	39.0
278.22049	2.4
379.12128	2.0
391.96875	1.6
397.13531	15.4
415.14886	1.7
512.29205	1.5
537.07605	1.8
537.89771	1.6
605.16248	1.7
607.25983	2.6
625.27155	4.3
691.38464	1.8
706.60028	2.2
885.48523	100.0
886.48792	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	4.2
69.03323	2.0
71.01254	23.1
72.99161	1.9
73.02813	3.4
80.96354	0.8
83.01260	3.4
85.02822	5.0
87.00765	3.9
89.02316	15.8
95.01276	0.8
97.02813	3.2
97.06454	0.9
99.00742	1.5
101.02318	13.3
111.08025	1.6
113.02322	7.1
119.03359	3.7
125.02339	3.9
131.03386	1.3
143.03421	1.5
161.04466	2.5
165.12775	6.8
179.05525	2.9
183.13828	52.1
184.14204	1.9
209.11732	1.5
221.06540	2.4
227.12843	3.5
235.08177	2.6
253.09474	0.8
259.20416	0.7
263.38812	0.7
277.21713	55.6
278.21997	4.2
379.12054	1.4
394.28256	0.7
397.13455	13.7
415.14365	3.4
430.10403	0.6
607.25995	2.3
625.27216	2.1
885.48523	100.0
886.48865	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	885.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02274	0.7
64.96309	0.4
65.00183	0.8
67.39324	0.4
69.33267	2.8
69.33685	1.3
69.47572	0.4
71.98396	0.4
83.01247	0.7
88.72715	0.4
91.00435	0.5
98.19740	0.9
107.01301	1.9
117.03350	14.3
119.04925	1.0
132.02072	0.9
132.12379	0.5
135.00755	1.6
145.02864	26.9
146.03204	1.1
146.40413	0.4
151.00261	3.1
163.00325	0.9
163.41258	0.4
164.01274	0.4
169.01317	0.6
178.99768	1.1
183.04515	1.0
185.05995	0.5
187.03946	0.6
200.04848	0.5
211.03925	2.6
212.04785	0.7
213.05547	0.6
227.03456	40.4
228.03807	3.1
229.04935	1.9
239.03511	1.1
255.02971	77.8
256.03619	8.6
257.04520	1.9
283.02454	4.3
284.03262	100.0
285.03934	21.3
286.04330	1.2
313.03525	0.5
327.05157	0.6
434.64865	0.5
721.19666	1.1
739.20850	12.6
740.21149	1.6
765.18579	1.2
885.24554	47.8
886.24976	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	885.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02269	0.9
65.00195	1.6
70.53440	1.9
83.01250	1.6
107.01272	3.6
117.03347	18.9
119.04928	1.2
132.02068	1.2
135.00671	1.0
145.02861	29.5
146.03183	1.1
151.00301	4.1
163.00311	1.0
169.01344	0.8
174.28471	0.5
176.26567	0.6
178.99805	1.2
183.04399	1.7
185.02356	0.8
185.06047	0.8
187.03998	0.8
199.03889	1.1
211.04012	3.0
213.05484	0.8
214.02600	0.7
227.03456	50.0
228.03862	1.8
229.05083	2.0
239.03516	1.6
255.02972	85.9
256.03589	8.2
257.04489	2.9
262.80576	0.6
283.02435	2.6
284.03268	100.0
285.03955	20.3
286.04489	0.8
339.05002	0.6
406.90942	0.6
721.19537	1.3
739.20947	10.6
740.21582	1.4
765.19000	1.2
885.24609	37.0
886.25183	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	885.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56147	10.3
69.56548	2.9
79.10867	1.5
79.28167	1.5
90.08233	1.8
91.03388	1.5
97.97366	1.4
107.01261	2.1
107.87231	1.5
117.03350	16.2
145.02849	30.6
151.00284	4.3
158.26778	1.7
183.04390	2.3
219.37181	1.6
227.03455	47.1
228.03748	4.2
229.05028	2.5
239.03557	1.9
240.04282	2.1
255.02971	89.0
256.03613	10.2
257.04498	1.7
283.02429	11.8
284.03247	100.0
285.03918	19.4
321.01208	1.6
325.69406	1.6
739.21063	11.3
885.24646	47.5
886.25708	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	883.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
71.01250	9.5
71.43741	2.2
72.99194	3.4
73.02843	2.3
78.95806	3.1
79.95609	5.9
80.96395	21.1
85.02834	7.2
89.02341	4.5
97.02814	3.2
99.00731	3.4
101.02309	4.8
109.06477	6.6
112.98708	3.8
115.00236	2.6
119.03434	2.9
142.99800	4.2
149.09639	2.3
150.30025	2.2
161.04518	2.2
164.65790	2.4
171.10167	8.9
174.01576	4.9
175.02408	3.9
194.87236	2.4
207.10129	11.9
211.13329	14.6
225.00645	5.2
225.11301	10.5
229.55823	2.8
235.08189	5.6
253.09280	12.6
254.09460	2.9
256.51013	2.8
259.31152	3.0
277.21701	44.0
278.22144	3.1
279.23315	17.0
288.56754	2.7
309.20700	8.8
327.21747	30.5
329.55835	2.4
397.13553	5.9
404.95822	2.6
405.01007	2.8
587.43024	3.0
708.25189	2.7
717.98846	3.1
883.45837	21.7
884.46649	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	885.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57639	2.1
117.03353	14.8
119.04905	2.5
132.02034	1.6
135.00771	2.4
145.02858	26.3
151.00255	3.3
178.99702	1.8
183.04401	2.0
211.03905	1.7
227.01344	2.6
227.03458	40.1
229.04980	3.0
238.04459	1.3
239.03424	1.4
255.02975	77.8
256.03616	9.7
283.02533	9.1
284.03271	100.0
285.03900	22.0
323.09500	1.4
562.52924	1.4
739.21161	12.9
740.21216	1.9
885.24512	44.4
886.25574	8.3
914.09589	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	883.433
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91124	0.1
71.01266	0.7
71.49429	0.1
75.00732	0.3
82.00603	0.1
85.02821	0.6
85.40739	0.1
88.98681	100.0
89.99025	0.6
95.01240	0.2
99.00769	0.4
101.02335	0.4
113.02331	0.3
177.80182	0.1
191.07787	0.1
203.48758	0.1
229.53165	0.2
235.03625	0.1
261.47455	0.2
269.68274	0.2
453.34180	0.2
455.35504	0.2
569.38727	0.2
613.37549	0.2
722.16040	0.2
793.43835	7.6
794.44171	1.4
883.47919	0.3
901.18469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.9
71.58186	0.3
73.02840	0.3
75.00740	0.7
77.97303	0.2
79.95601	0.2
85.02832	0.9
85.58605	0.2
85.63037	0.2
87.00735	0.2
88.98681	100.0
89.02304	0.6
89.99034	0.6
95.01268	0.4
95.81916	0.2
96.95886	0.6
101.02349	0.3
113.02341	0.6
119.03407	0.2
119.47009	0.3
211.13185	0.3
223.47784	0.2
430.46964	0.3
793.43756	0.9
883.37665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	36.4
65.98699	3.4
71.01247	16.8
71.64928	4.3
73.02807	5.9
79.95632	4.2
80.96392	21.2
85.02821	10.1
86.80550	3.8
89.02306	8.3
94.97974	6.2
95.57114	4.7
96.95874	7.2
99.00784	3.8
101.02316	11.8
109.03745	4.0
112.19208	3.8
112.98745	3.6
117.68490	4.0
138.43315	4.0
142.42046	4.1
154.52698	3.9
155.78510	4.3
165.36839	4.2
171.10204	23.5
179.11598	4.0
207.10223	11.4
211.13300	13.6
225.00748	5.4
225.11304	7.3
228.39110	4.6
229.49126	3.8
235.08208	24.6
253.09261	16.8
265.05148	4.3
277.21725	100.0
278.21936	10.2
279.23352	8.9
301.49658	4.4
309.20523	7.7
311.98160	4.7
327.21762	56.3
357.15988	4.6
397.13483	7.0
828.60297	4.7
883.46954	29.1
884.47632	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	881.523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	5.8
63.04952	1.8
68.99693	2.2
71.01253	30.1
72.99189	8.9
73.02824	5.7
75.00756	2.1
78.95786	3.8
81.03351	1.9
81.42457	1.6
83.01273	5.9
85.02835	5.3
87.00745	14.3
89.02322	13.8
96.99152	1.6
97.02842	2.3
99.00742	10.1
101.02317	13.8
102.12238	1.7
111.00782	6.0
112.98698	20.5
113.02327	6.3
113.52949	1.6
115.00255	13.8
119.03391	3.4
124.98695	4.0
125.02330	3.6
142.99763	26.5
152.99481	2.5
155.40465	1.8
161.04453	4.0
171.10181	3.7
172.10481	1.9
173.00848	7.3
174.01604	37.3
175.02409	19.9
179.05505	4.2
183.13823	3.6
195.13824	1.9
197.11751	6.0
201.11246	32.4
205.12378	1.8
209.11763	41.0
210.12131	1.9
211.13321	65.1
212.13686	4.4
223.13336	3.4
227.12845	4.6
235.08174	10.3
251.12689	2.1
253.09303	18.9
255.23291	32.1
256.23602	2.2
263.12878	4.0
275.20212	3.2
277.21716	100.0
278.22128	7.5
291.19620	9.1
293.21265	31.5
309.20715	16.3
379.12503	5.7
397.13531	26.2
415.14511	5.6
429.21271	3.1
447.22165	2.9
581.26056	2.3
653.37695	4.7
655.40240	2.0
655.67572	1.8
664.51141	2.2
747.79803	2.2
763.42682	6.9
777.44800	2.4
803.42450	5.3
804.43555	2.3
821.43567	2.4
881.48083	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	881.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	5.2
64.52332	1.8
69.59597	11.0
69.60003	4.9
71.01254	44.7
72.70443	1.9
72.99184	12.3
73.02826	7.9
75.00727	2.9
79.49262	1.8
80.96389	3.8
83.01244	8.1
83.04892	5.9
85.02821	7.9
87.00758	16.1
89.02317	19.0
95.01208	2.6
96.95872	2.0
97.02829	3.3
99.00754	11.5
101.02348	21.3
111.00779	5.6
112.98695	32.2
113.02337	14.6
115.00244	20.3
119.03394	5.7
124.98699	4.0
125.02348	5.7
125.09630	2.8
127.11169	2.8
129.01874	2.6
139.50592	2.2
142.99765	32.8
152.99460	4.1
161.04434	4.0
163.11168	4.3
171.10170	5.9
173.00826	10.5
174.01625	43.8
174.03107	2.6
175.02409	29.2
179.05598	6.0
183.13828	6.4
195.13882	2.3
201.11263	65.0
202.11681	3.1
209.11781	80.6
210.12119	4.9
211.13348	100.0
212.13687	5.6
223.13304	7.7
227.12808	13.1
233.11623	2.7
235.08253	13.0
237.11455	2.1
237.14882	2.6
242.74239	1.9
253.09254	17.5
255.23280	63.9
256.23602	3.7
263.12872	8.5
275.20264	3.5
277.21747	91.4
278.22034	6.9
291.19611	8.0
293.21307	12.7
305.08719	3.0
309.20630	15.3
310.21136	2.1
379.12387	9.3
397.13489	63.8
398.13757	4.5
415.14676	12.1
447.22433	8.8
457.93756	2.0
613.62976	2.0
653.37769	5.8
763.42700	8.1
803.42310	9.9
881.48950	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	4.4
69.03317	2.0
70.18120	9.1
71.00894	3.6
71.01258	38.5
72.99190	7.1
73.02825	4.7
78.95785	3.2
80.96374	3.3
81.03340	4.0
83.01250	6.7
83.04910	3.4
85.02847	7.9
87.00758	14.2
89.02322	18.4
96.15724	1.8
97.02839	4.2
99.00771	8.5
101.02310	20.3
111.00801	2.5
112.98695	17.7
113.02350	12.3
115.00250	14.9
119.03400	6.2
125.02344	11.2
125.09669	2.7
127.11186	4.0
129.01855	2.3
139.98158	2.1
142.99780	23.2
148.47668	2.1
152.99516	3.5
156.00533	2.9
158.03644	2.5
161.04477	5.6
163.11208	5.0
165.12839	3.1
171.10176	4.0
173.00845	8.2
174.01613	34.4
175.02397	23.9
177.06233	2.8
179.05527	4.2
183.13853	3.4
201.11267	83.6
209.11778	100.0
210.12047	7.1
211.13342	72.6
212.13681	5.5
223.13409	4.9
227.12854	14.8
235.08252	10.5
249.46640	2.0
253.09274	9.5
255.23271	75.0
256.23651	6.9
263.12872	2.9
277.21707	81.7
278.22076	6.4
291.19632	6.8
293.21274	9.3
309.20792	6.2
323.09747	2.8
354.23605	2.3
379.12595	11.3
397.13522	74.9
398.13736	4.8
415.14575	11.4
447.22342	5.6
606.47351	2.2
653.37561	5.9
745.40558	2.6
763.42700	4.8
803.41986	6.0
863.43927	4.1
881.45837	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	881.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72440	0.8
61.98704	10.8
64.62014	0.8
67.01767	1.0
70.14748	4.4
71.01255	17.4
72.99182	10.5
73.02837	1.8
75.00754	1.9
78.95773	0.9
80.96397	3.0
81.03365	0.8
83.01266	4.0
85.02815	2.8
87.00745	9.2
89.02317	3.5
99.00746	8.4
101.02328	5.2
111.00793	3.7
112.98689	21.0
113.02367	2.0
113.99466	1.0
115.00265	14.6
119.03378	0.9
124.98692	3.2
129.01811	1.6
139.00148	1.1
142.98631	1.6
142.99765	27.3
143.03319	1.2
145.01323	1.1
156.00569	2.8
157.01210	1.1
161.04475	1.9
171.10130	1.1
173.00827	8.7
174.01611	34.6
175.02397	22.1
179.97975	0.9
181.12199	1.0
183.13826	3.4
185.71445	0.8
195.13800	1.2
201.11272	3.4
209.11746	3.8
211.13342	58.0
212.13690	1.7
219.13805	0.9
221.11679	0.9
223.13405	2.6
225.00746	1.1
227.12851	0.9
235.08202	7.9
237.11470	1.1
237.15034	1.3
239.13014	1.2
249.14828	0.9
251.12936	0.9
253.09299	9.5
255.23232	4.5
256.23630	1.1
263.12708	5.1
277.21719	100.0
278.22119	6.8
289.18033	1.1
291.19604	3.2
292.19818	1.5
293.20953	1.3
309.20837	1.4
344.19470	0.9
366.49414	0.9
397.13443	3.6
429.21365	1.4
447.22177	2.8
513.30475	1.5
707.43610	1.9
745.41681	1.4
759.43573	1.7
763.42676	5.1
777.43604	1.7
803.42310	5.5
821.44031	3.1
863.43536	2.3
881.49084	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	881.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	1.6
71.01254	19.4
71.01620	1.9
72.99180	11.8
73.02818	1.3
75.00745	2.0
80.96405	1.7
83.01257	4.5
85.02829	3.4
87.00734	9.2
89.02335	4.3
99.00758	8.6
101.02325	4.4
111.00767	6.4
112.98700	26.4
113.02361	3.0
115.00249	15.2
115.00968	1.6
124.98679	3.2
129.01859	2.1
142.99763	30.1
143.00844	2.3
145.01341	1.9
156.00558	2.2
161.04480	2.5
161.81552	0.9
173.00858	10.2
174.01617	45.7
175.02405	27.1
183.13860	5.7
195.13831	1.0
197.11794	3.9
201.11278	2.8
202.82339	1.0
209.11809	4.9
211.13341	100.0
212.13696	3.6
214.48392	1.4
223.13335	5.2
235.08218	3.2
235.13454	1.5
237.14948	2.2
245.11694	1.3
251.12892	1.3
253.09206	10.8
255.23329	4.2
259.13190	1.4
263.12943	6.3
267.39728	1.4
275.20227	1.5
277.21719	80.9
278.19269	1.5
278.21964	5.7
289.18109	2.1
293.21283	5.2
309.20709	3.5
310.21219	1.4
322.68991	1.2
397.13602	2.1
398.21686	1.2
429.21475	3.1
447.22440	9.6
513.30713	1.5
523.82422	1.2
745.40985	1.7
759.42871	2.0
763.43121	7.7
764.42139	1.7
777.44183	2.4
781.43158	1.3
801.44476	1.4
803.41742	6.3
821.43695	3.0
845.43427	1.4
863.44067	1.5
870.84497	1.3
881.46021	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	879.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.6
71.00890	1.0
71.01256	11.7
71.04891	3.5
72.99203	1.3
73.02851	1.7
80.13561	0.6
81.03333	1.0
83.01250	1.1
83.04916	0.9
85.02834	3.6
87.00749	2.6
89.02321	8.1
91.70155	0.6
95.01266	1.1
95.04875	0.9
97.02834	3.4
97.06460	2.5
98.19807	2.4
99.00757	16.0
101.02325	7.4
109.06504	1.2
111.04491	0.7
113.02319	3.8
119.03391	2.2
123.08038	1.3
125.02333	2.2
125.09614	8.7
135.08035	1.5
142.02582	0.7
143.03389	0.7
152.99484	0.7
153.12837	0.8
155.14294	0.8
161.04465	1.2
163.11206	10.7
164.11656	0.9
171.10173	0.9
179.10759	0.8
181.12265	12.0
197.11768	2.0
199.13319	5.6
207.10205	22.1
208.10652	1.0
221.06683	1.3
222.82239	0.7
225.11281	27.8
226.11633	1.3
230.75391	0.7
235.08188	1.3
243.12340	12.0
253.09155	0.8
255.23271	30.4
256.23602	2.4
291.19562	1.2
293.21323	1.2
304.12051	0.6
397.13663	5.1
623.25647	1.3
641.26630	1.8
879.49603	100.0
880.49854	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	879.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	5.6
62.39466	2.5
71.01268	17.5
71.14836	5.0
72.99194	2.4
73.02840	3.6
78.95772	2.6
80.96387	2.4
83.01252	3.8
85.02830	2.3
87.00767	2.3
89.02317	8.2
97.06491	3.5
101.02340	10.3
111.08068	3.0
113.02335	4.3
114.04057	1.8
118.75780	2.1
123.04375	2.1
125.09601	6.7
137.09598	3.2
161.04462	2.4
163.11203	7.9
171.10196	20.0
171.76378	2.0
185.11765	8.0
191.14305	10.9
195.13832	5.9
197.11792	4.6
207.10187	6.5
209.11833	11.4
211.13373	4.0
217.60762	1.8
223.13394	3.7
225.11292	6.8
235.08186	4.8
237.11327	4.6
243.12207	2.0
245.19040	16.2
246.19283	2.3
253.09274	26.0
255.23260	14.8
256.23630	3.2
263.20221	4.9
270.66772	2.0
271.17142	3.7
275.20169	12.9
289.18085	90.3
290.18457	8.3
291.19690	7.5
293.21222	100.0
294.21600	9.7
307.19153	77.7
308.19427	6.4
379.12363	3.4
397.13620	5.9
523.12756	1.9
525.27618	2.5
543.28058	3.2
879.48395	14.0
880.48840	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	879.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55863	2.3
67.12218	2.2
71.01234	10.8
72.99165	2.3
78.95801	4.1
80.96409	3.6
85.02820	4.4
89.02325	7.0
96.95870	2.7
97.02859	2.4
98.20670	4.0
99.00686	2.2
101.02319	7.7
111.08012	2.7
116.03526	2.2
123.08076	2.6
125.09563	4.8
137.09641	3.0
163.11209	4.0
164.48680	2.2
165.98427	2.3
185.11707	4.3
191.14331	6.9
195.13840	7.9
197.11777	11.3
207.10162	6.9
209.11726	4.9
211.13225	3.2
223.13310	4.7
225.11189	14.2
235.08171	3.4
245.19098	6.3
253.09283	24.2
255.23143	12.3
275.20016	6.1
289.18115	44.9
290.18359	4.3
291.19678	38.7
293.21228	100.0
294.21494	9.6
307.19131	37.9
308.19614	2.7
309.20670	18.6
397.13235	4.8
450.48495	2.5
525.26190	3.4
579.63422	2.6
670.21112	2.6
861.48328	9.6
879.48291	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	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	2.2
70.61420	3.7
71.01254	18.0
71.04887	2.4
71.83374	1.0
72.99151	1.7
73.02819	1.7
80.96378	1.3
82.21042	1.0
83.01270	1.9
85.02818	4.3
86.11081	1.1
87.00746	3.8
89.02318	11.0
96.95876	2.4
97.02837	5.8
97.06469	2.3
99.00765	14.0
101.02315	10.8
109.06451	1.2
111.08012	2.6
113.02344	5.7
117.45007	1.0
119.03386	3.6
123.07980	1.7
125.02323	3.2
125.08817	1.0
125.09606	6.8
136.06859	1.0
143.03404	1.2
161.04578	1.1
163.11188	4.5
171.10185	3.3
179.05548	1.6
179.10617	1.2
181.12286	11.0
197.11751	5.7
199.13339	8.5
207.08325	2.1
207.10207	26.3
208.10515	1.5
221.06737	1.2
225.11276	36.9
235.08154	3.1
243.12294	9.9
247.20641	1.3
253.09250	3.9
255.23267	50.3
256.23721	2.4
289.18030	1.4
291.19666	28.1
292.20010	1.6
293.21207	1.7
299.70670	1.3
309.20746	12.1
397.13574	8.9
527.28900	1.7
605.24377	2.8
764.82483	1.2
836.04956	1.1
861.48438	15.1
862.48523	1.7
879.49622	100.0
880.49878	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	877.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41731	0.7
68.99674	0.8
71.01243	5.3
71.57974	1.7
72.99175	2.1
73.02819	1.2
75.00745	16.7
83.01248	1.3
85.02823	14.7
87.00751	2.0
89.02313	1.5
95.01279	1.3
96.95889	3.0
99.00759	1.9
101.02335	1.1
113.02338	8.9
113.03085	1.2
115.00272	1.0
117.01799	0.9
121.02832	0.8
129.01813	0.8
157.01268	1.1
165.12749	2.4
171.10219	1.4
175.02379	1.1
183.13826	8.8
184.14149	1.2
227.12823	13.5
228.13182	0.8
239.11932	1.7
357.81018	0.8
416.45480	0.9
473.36526	3.0
527.37402	0.9
573.38068	2.8
585.32916	1.3
649.39575	100.0
650.39893	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	875.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90266	2.0
69.70233	14.4
71.01259	18.8
73.02827	6.6
83.01271	5.2
85.02840	7.7
87.00741	2.8
89.02334	6.0
93.31332	1.7
95.01259	2.1
96.87051	2.0
99.00743	2.7
101.02326	15.9
113.02331	6.1
123.08067	14.0
123.74719	1.8
125.09580	2.3
138.71265	2.1
151.07582	3.7
161.04474	5.4
161.09642	9.5
171.61674	1.8
179.10715	3.8
187.11238	3.2
197.54610	2.0
203.05730	2.6
205.12280	15.5
210.26384	1.9
222.97096	1.7
223.13348	24.9
224.13771	1.9
238.15204	2.0
241.14436	36.8
242.14806	3.6
327.53397	2.1
334.02908	2.3
385.18661	26.4
403.19754	37.6
404.20071	3.5
445.20789	100.0
446.21152	4.8
459.80014	2.4
462.03497	2.1
472.66989	1.9
526.04529	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	875.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	0.9
64.97717	0.7
68.99690	3.6
69.03332	3.8
71.01257	28.1
71.14928	1.6
72.99170	2.5
73.02822	1.0
75.00746	16.0
83.01263	3.3
85.02830	10.6
87.00745	2.1
89.02325	13.6
95.01273	3.7
97.02829	7.2
99.00756	17.5
100.43757	0.7
101.02355	4.7
102.51199	0.7
111.00773	1.3
113.02325	6.2
115.00295	0.9
116.92740	2.8
120.10795	0.6
123.00806	0.8
125.02338	11.9
131.03374	1.7
137.07645	0.7
149.04543	1.0
157.01334	1.6
171.10161	0.7
199.09714	1.2
201.11278	1.0
565.38776	1.7
649.20984	0.7
875.48010	100.0
876.48370	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	7.5
64.83978	5.5
71.01270	9.5
73.02847	4.9
78.95778	5.3
85.02866	8.0
89.02339	9.1
90.99951	4.8
96.95875	7.2
99.00759	11.6
101.02371	5.8
116.92759	10.1
141.01579	6.8
144.74878	5.2
171.10194	15.4
195.13841	5.3
211.13536	5.4
218.52316	5.2
229.56747	5.0
235.08102	10.8
251.87779	5.9
253.09279	47.9
293.21262	100.0
294.21680	9.2
301.54404	6.4
309.20795	9.3
327.21786	74.6
529.30066	7.8
563.30798	12.1
574.05176	5.4
637.92664	5.7
839.51520	8.6
875.48584	33.3
876.45825	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	877.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35724	4.5
71.01251	37.4
71.57761	5.5
71.96780	4.3
73.02834	10.0
83.01266	6.6
85.02836	15.4
89.02328	16.7
94.51121	4.1
101.02332	32.6
105.55032	4.2
113.02319	16.2
119.03397	6.1
123.08051	16.1
160.50925	5.3
161.04457	14.5
161.09605	16.6
163.11162	4.9
179.10657	10.9
205.12315	14.2
207.10255	4.6
213.23103	4.7
223.13312	28.4
241.14380	29.1
331.18085	4.1
385.18765	62.9
386.18973	5.0
387.16592	100.0
388.17151	8.7
397.95294	4.6
403.19754	60.1
408.81464	4.6
445.20804	41.3
463.20334	4.7
469.07629	4.5
476.46613	4.8
506.90363	5.0
551.20160	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	875.314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	6.1
71.59022	2.2
72.99200	1.4
73.02816	1.4
75.00730	1.9
85.02809	2.6
86.35674	1.3
91.01750	1.3
93.03360	1.7
95.01224	1.3
96.95888	4.3
99.00737	1.4
101.02303	2.5
108.02020	4.9
109.02826	3.6
113.02345	1.9
117.03334	1.6
119.04903	3.4
121.02866	8.5
122.03592	2.4
123.00758	4.1
123.04403	3.0
125.02380	2.4
134.03656	2.2
135.04390	3.8
136.01572	35.3
137.02364	8.5
145.02852	10.6
147.04402	1.6
149.02382	1.3
149.05873	1.5
150.03171	1.8
151.00336	2.5
151.03920	17.6
152.01071	2.4
159.04405	1.9
160.01514	1.8
160.05191	2.7
161.02342	3.0
161.05968	6.6
162.03122	3.5
163.03923	5.2
163.07571	2.1
171.04549	1.8
171.10106	1.7
172.05188	6.0
173.05984	5.0
174.03064	1.6
175.03909	12.9
176.04678	4.6
177.05479	1.7
189.05510	8.8
190.06317	10.0
191.06982	3.9
193.04907	2.0
204.04173	1.3
249.05673	1.5
282.05206	2.3
286.04736	1.1
357.09763	1.7
435.82535	1.4
447.14484	1.8
477.15582	2.2
493.08041	1.3
493.14578	1.5
507.16516	7.3
595.31482	3.4
612.20685	1.8
626.40253	2.2
635.22882	1.7
653.23529	7.7
665.23737	4.9
666.23785	1.6
683.24976	31.3
684.25085	4.3
695.24603	4.7
713.26031	100.0
714.26300	17.8
827.11096	1.4
875.38556	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	873.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96989	0.5
67.99007	0.4
69.03310	1.4
71.01260	4.5
71.58765	1.0
73.02833	0.5
75.00740	0.6
85.02824	9.7
87.00697	0.6
89.02326	2.8
96.95882	1.6
96.99841	0.5
97.02834	1.4
97.06455	2.6
97.44230	0.5
99.00779	0.8
101.02328	3.1
109.06467	0.4
110.19725	0.4
112.55517	0.5
113.02347	2.3
119.03406	0.7
119.08558	0.5
125.09631	0.9
127.11169	1.4
137.09665	2.6
155.10704	1.1
161.04453	1.4
171.10190	26.9
172.10440	0.9
177.12729	0.6
178.75319	0.5
179.05556	0.5
183.13791	2.6
184.86954	0.4
185.11740	1.2
193.12248	0.7
194.25697	0.4
201.11264	1.0
209.11818	1.2
211.13358	10.9
212.13754	0.7
221.11787	1.2
229.14439	7.0
235.08153	0.9
239.12865	1.3
253.09271	17.0
254.09654	0.4
286.24387	0.5
291.19778	2.6
291.22549	0.5
309.20709	1.9
313.50729	0.5
327.21768	100.0
328.22076	6.9
341.23535	0.8
360.96304	0.4
363.16064	0.5
520.05945	0.6
563.30688	7.0
564.30609	0.6
637.43134	2.8
751.76215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02261	0.9
65.00183	1.9
69.92241	1.9
69.92655	2.6
71.01241	2.7
74.02311	0.8
83.01241	1.3
85.02839	1.1
85.86452	0.8
96.95889	31.5
99.05477	1.1
107.01276	2.2
121.02836	1.1
122.83337	0.7
128.03383	2.0
143.04611	2.2
145.02847	2.0
147.00725	0.9
151.00272	9.7
155.05000	1.0
160.00543	0.9
166.04878	1.0
171.04411	1.0
178.99750	1.3
183.04437	3.5
187.03859	1.8
191.01836	0.9
199.03957	9.3
201.01843	2.1
203.03540	1.5
211.03938	1.1
215.03456	5.4
221.58765	0.9
227.03459	9.8
242.02174	7.1
243.02946	46.0
244.03407	1.7
254.07819	0.9
255.02982	15.0
256.03360	1.3
257.04517	6.8
270.01657	6.5
271.02466	53.0
272.02979	4.3
272.08887	1.0
285.01044	1.0
285.04025	13.3
286.04703	4.8
287.05664	1.4
299.01959	100.0
300.02563	14.8
306.07690	6.1
307.07843	1.7
313.03442	2.6
314.04309	78.8
315.04980	17.5
408.31543	0.8
516.49335	1.1
619.68872	0.8
751.20728	1.5
873.24506	66.2
874.24835	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	873.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.3
64.25375	1.3
65.00197	1.8
67.36329	1.1
69.61648	6.9
69.62054	3.8
71.01254	4.7
72.99151	1.8
74.02341	1.6
75.00730	1.4
83.01244	1.4
85.02813	3.0
89.02293	1.8
93.19305	1.7
96.95897	7.9
98.19838	1.4
100.53806	1.3
101.02315	3.1
107.01275	3.4
113.02332	3.7
121.02854	1.5
143.04532	2.0
145.02785	1.3
147.00714	1.2
151.00293	6.8
152.01138	1.3
152.07053	1.5
162.83264	1.4
169.01468	1.5
171.04448	2.4
175.03764	1.5
178.99806	1.8
183.04381	2.3
187.03976	1.6
195.06506	1.6
199.03929	10.0
201.01842	1.5
203.03352	2.1
211.03857	1.9
215.03384	5.2
227.03464	10.4
242.02145	8.9
243.02962	39.9
244.03322	3.0
255.02989	16.1
256.03525	1.6
257.04495	7.7
267.07300	1.7
270.01630	4.7
271.02481	45.8
272.02841	4.7
281.74692	1.5
284.03284	3.1
285.04044	14.3
286.04657	4.0
299.01962	100.0
300.02567	17.6
306.07611	3.7
313.03433	4.1
314.04309	78.6
315.05032	18.6
751.21057	2.2
873.24469	66.2
874.24902	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	871.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66323	27.9
71.01257	43.5
98.22533	26.9
139.87158	36.3
184.98518	26.6
195.21619	29.5
197.16902	30.0
211.13332	55.6
212.10414	27.3
229.45506	27.9
253.09187	34.0
277.21686	61.7
289.18045	34.4
309.20746	29.1
508.59384	29.9
871.46948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46726	2.6
71.01262	18.5
71.57690	3.2
73.02811	3.1
78.95787	2.8
85.02857	3.6
89.02325	16.8
97.02792	2.8
101.02335	11.0
105.36680	2.7
119.03395	4.0
125.02348	4.2
151.11195	9.5
169.12253	71.9
170.12617	2.8
197.11810	2.7
211.13351	4.6
213.11238	9.6
221.06598	6.1
235.08270	3.1
277.21710	23.4
290.93176	2.7
397.13531	4.7
611.25385	3.6
752.67865	3.3
766.41290	3.4
871.46936	100.0
872.47314	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	871.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93978	100.0
78.95766	17.2
80.96403	21.3
89.00684	16.4
91.16295	16.3
139.85995	16.8
143.87735	16.3
211.13306	37.3
277.21780	32.5
279.22296	19.9
307.19269	19.1
309.20898	32.8
324.85712	23.4
398.14063	21.8
603.81750	19.9
871.46930	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84904	1.5
69.03326	3.6
71.01255	13.9
71.79725	1.4
72.99187	1.6
81.25115	1.4
82.31589	1.3
83.01250	2.2
83.04890	1.4
84.02041	5.0
84.04423	1.6
85.02840	6.5
87.00755	3.0
89.02312	11.4
96.95894	23.5
97.02833	5.8
97.06481	6.5
99.04388	2.9
101.02318	13.6
102.05517	2.6
109.03974	3.4
111.08040	6.4
113.02328	9.5
115.62013	1.5
116.92667	1.9
119.03419	3.6
123.08035	1.6
125.02340	2.5
125.09689	1.9
127.05032	11.6
128.03439	6.1
137.09648	2.8
145.06091	59.7
146.04507	5.9
151.26552	1.6
161.04529	4.4
165.12741	4.6
169.12202	2.4
171.10210	23.7
179.05591	2.9
181.12299	2.3
181.27589	1.7
183.13837	2.6
193.12285	9.5
197.11761	34.8
198.12053	2.1
199.13214	2.6
209.11787	4.3
211.13333	41.7
212.13785	3.0
221.11751	1.9
225.14926	13.8
227.12727	2.1
235.08154	6.3
243.15990	7.4
247.20781	2.4
253.09274	29.4
254.09529	1.5
263.20233	2.4
277.21741	16.5
278.22089	1.6
289.18329	1.5
291.19635	31.3
291.24628	1.5
293.21173	6.0
305.21262	1.9
309.20706	70.0
310.21103	4.9
323.22324	3.0
341.23297	100.0
342.23779	8.6
356.53772	1.5
357.22723	4.2
379.12503	2.5
397.13586	10.8
415.14536	2.2
421.76816	1.4
545.29675	1.9
577.32599	2.2
592.20038	1.8
611.33368	1.7
633.43689	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	869.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.8
71.01260	10.0
71.04874	1.0
72.99202	1.2
73.02826	2.1
78.95757	1.4
83.01269	1.4
83.04889	2.6
84.02042	3.0
84.04419	1.7
85.02837	3.1
87.00766	2.8
89.02334	6.8
96.95883	14.1
97.02832	4.9
97.06469	6.2
99.00770	1.4
101.02331	6.3
102.05484	1.1
104.98129	0.9
109.03976	1.6
109.06496	1.1
111.08030	3.3
113.02322	3.5
113.03442	1.1
118.23778	0.9
119.03376	2.9
125.02324	1.3
125.03398	1.3
125.09619	2.8
127.05038	8.7
128.03415	3.0
137.09596	2.3
145.06102	50.0
146.04518	2.7
146.06447	1.5
161.04485	3.3
163.11174	1.0
164.34303	0.9
165.12758	3.2
171.10191	17.7
175.11333	1.5
183.13837	2.2
183.74763	0.9
185.11771	1.2
193.12283	11.5
197.11786	17.6
198.12170	1.5
209.11743	2.8
211.13351	28.3
225.14929	13.1
226.15184	1.1
227.12808	2.6
235.08237	5.3
243.15962	7.2
247.20477	1.8
253.09285	24.4
254.34595	1.0
273.18747	1.7
277.21750	12.2
291.19669	27.3
292.20047	2.4
293.21048	2.2
309.20728	61.0
310.21115	5.6
323.22321	2.3
341.23312	100.0
342.23663	9.5
357.22842	2.0
379.12787	2.3
397.13519	7.3
469.02689	1.2
545.29803	2.2
562.56018	1.2
577.32471	2.1
633.43744	6.0
869.49744	1.3
870.45313	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	869.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	0.3
69.03310	1.9
70.91203	0.9
71.01254	20.2
72.99173	1.7
73.02812	3.6
75.00773	0.5
78.95780	1.6
79.95610	1.9
80.96386	2.8
81.03355	1.2
83.01262	2.6
83.04868	0.6
85.02826	4.9
87.00755	4.9
89.02319	17.8
94.97984	1.0
95.01273	1.9
97.02837	2.8
99.00773	1.1
101.02321	14.6
110.98416	1.8
111.04470	0.4
113.02334	8.2
119.03390	4.5
123.00780	0.4
125.02338	6.6
131.03362	0.7
133.04962	0.8
137.02373	0.4
139.03914	0.6
141.01816	0.7
143.03401	2.5
149.04443	0.4
152.98465	0.4
161.04459	3.7
164.98532	0.5
167.01097	0.6
167.10684	0.4
167.14302	0.7
179.05534	3.8
183.13821	7.3
185.02153	2.9
185.04523	0.5
193.12274	2.4
199.06042	0.3
211.13339	100.0
212.13666	4.1
213.67361	0.3
217.07095	1.2
221.06609	1.5
225.00659	0.7
235.08176	5.2
253.09235	1.0
253.21768	0.8
263.07767	0.6
277.21713	57.7
278.22021	4.1
279.23306	3.4
280.23682	0.4
287.07733	1.8
291.23358	0.5
305.08734	1.8
323.09976	1.1
327.21808	0.8
348.46210	0.4
379.07736	0.3
379.12424	6.7
380.12793	0.5
397.13522	38.1
398.13931	2.1
415.14536	7.9
421.23508	0.9
447.25189	2.3
591.26666	1.9
609.27661	1.3
675.36279	0.6
869.46783	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	865.533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	1.9
71.01258	8.8
71.33916	2.6
73.62671	1.2
75.97136	1.5
76.03281	1.4
78.98457	1.8
79.95608	6.7
80.96390	31.3
85.02853	2.2
87.00764	2.1
89.02323	2.7
94.97952	6.1
96.77974	1.2
97.02836	4.6
101.02313	4.5
106.97977	1.4
113.02314	2.4
119.20689	1.1
125.02388	1.4
134.97464	2.1
136.99120	1.3
137.09555	1.8
148.99022	2.2
152.98566	2.6
161.04480	2.5
164.98485	3.5
165.12755	2.4
171.10129	5.9
181.12346	1.1
206.99649	1.4
208.41457	1.1
225.00682	9.2
227.12888	2.9
235.08223	5.1
238.46281	1.1
247.20583	2.5
253.09279	12.9
254.14639	1.1
277.21732	100.0
278.22043	6.1
284.92142	1.2
291.19659	23.9
309.20715	54.0
310.21176	3.5
315.32483	1.1
346.56302	1.3
424.02173	1.2
600.83887	1.3
865.49847	38.2
866.49292	7.0
879.40594	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	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29116	0.3
61.73415	0.2
61.98704	100.0
71.01257	0.8
73.02851	0.2
79.95610	1.6
80.96393	2.8
94.97999	0.8
98.19807	1.2
101.02351	0.5
122.97513	0.3
124.02840	0.3
148.99190	0.3
150.69434	0.2
152.15408	0.3
164.98596	0.8
211.13400	1.2
225.00819	0.7
230.48708	0.3
276.81149	0.3
277.21826	1.1
291.04459	0.3
293.21292	0.3
397.13562	0.6
559.88293	0.3
584.81647	0.3
645.52930	0.3
842.99799	0.3
868.47327	0.5
869.47217	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	869.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
70.18001	2.6
70.18402	2.4
71.01257	5.8
71.39236	0.8
73.20806	0.8
74.77914	0.8
78.98453	2.8
79.95606	21.3
80.96391	34.7
81.03345	0.9
85.02803	1.6
87.00766	1.3
87.06890	0.8
87.26067	1.0
89.02333	1.4
94.97960	9.0
96.95899	1.1
97.02817	1.2
98.20464	0.9
101.02293	2.8
106.97952	1.9
113.02341	1.5
116.60553	0.9
122.97457	1.7
125.02324	2.2
134.97484	2.2
148.99031	1.5
150.68703	1.0
152.98503	2.6
164.98572	5.0
206.99742	1.7
211.13351	9.6
225.00691	10.6
248.80661	1.1
277.21695	6.8
283.05038	1.6
341.05603	1.6
380.39050	1.0
397.13300	3.6
869.47302	44.2
870.47467	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	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09066	0.3
65.21515	0.3
69.03318	1.2
71.01256	16.4
72.99181	1.9
73.02824	2.4
75.00762	0.4
76.34689	0.3
78.95773	0.4
79.95589	1.1
80.96401	1.7
81.03323	1.2
83.01245	1.6
83.04903	0.7
85.02821	4.1
87.00756	4.1
89.02316	15.0
92.75524	0.3
95.01270	1.2
97.02827	2.9
99.00761	1.0
101.02322	12.2
109.02825	0.3
110.98436	0.6
111.04405	0.6
113.02335	7.5
115.03923	0.4
119.03400	3.8
120.03712	0.3
120.67529	0.3
123.00808	0.3
124.01550	0.4
125.02335	6.2
131.03438	0.5
133.04944	0.8
139.03938	0.4
141.01807	0.3
143.03389	2.2
149.04494	0.3
161.04474	3.7
164.98431	0.3
165.12796	0.3
167.03462	0.5
167.14281	0.7
169.04913	0.4
179.05536	4.5
183.13824	8.1
185.02100	1.0
193.12259	2.4
211.13339	100.0
212.13658	4.9
217.07109	0.9
221.06621	1.3
225.00639	0.7
227.12947	0.3
229.40616	0.3
235.08197	4.7
253.09283	1.0
253.14400	0.4
253.21754	0.5
259.08200	0.4
263.07623	0.4
277.21719	46.3
278.22092	2.1
279.23294	0.9
287.07742	1.0
305.08707	1.8
323.09824	1.1
379.12415	6.4
380.12970	0.4
397.13498	31.3
398.13739	1.8
415.14539	8.4
415.19913	0.6
416.14969	0.7
447.24957	0.5
511.88803	0.3
591.26471	2.3
609.27563	2.3
706.51825	0.3
869.47424	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	865.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	8.4
72.99187	2.8
75.00730	1.8
82.67529	0.9
83.01255	3.0
84.02045	2.4
85.02825	77.4
86.03146	1.4
87.00745	2.3
89.02334	1.7
95.01266	18.0
95.55107	1.0
96.95911	5.8
98.19766	3.8
99.00777	1.5
101.02372	1.1
103.00262	2.7
106.21587	0.9
113.02332	100.0
114.02664	2.1
129.01823	1.4
139.00287	1.2
163.84265	1.0
174.01653	1.7
175.02399	17.5
183.13731	0.9
187.11517	1.3
230.46315	1.3
235.04607	3.9
299.39313	1.3
396.96216	1.0
647.38269	2.8
865.42303	56.1
866.42224	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	865.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01576	12.0
70.97624	13.4
71.01257	100.0
73.02816	48.1
83.01259	10.2
85.02832	27.3
87.00741	11.6
89.02316	46.9
94.07105	8.0
95.01258	11.1
99.00767	12.8
101.02306	63.1
113.02338	39.0
114.26728	7.3
119.03382	20.2
140.31732	10.4
151.00348	9.3
161.04465	26.2
165.05455	9.4
166.02618	8.4
167.44905	7.8
175.72266	7.1
179.03392	8.7
180.40758	7.8
181.04970	17.0
189.12830	18.7
189.39917	7.7
193.04987	8.6
202.79694	7.9
213.89629	7.0
257.12958	8.6
369.19318	23.7
387.20355	73.1
391.23462	18.4
429.21240	89.4
636.53796	7.4
668.04572	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	865.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.9
68.99689	0.5
69.03313	0.8
69.33192	1.0
69.33614	2.8
71.01257	7.7
72.82823	0.3
72.99175	4.3
73.02821	1.9
75.00761	1.1
83.01249	2.2
83.28124	0.4
84.02035	2.6
85.02824	85.9
86.03168	1.6
87.00764	1.8
89.02320	1.0
95.01263	19.5
99.00761	1.1
101.02335	0.5
103.00253	3.4
111.00786	0.5
113.02332	100.0
114.02658	2.1
115.00272	0.7
129.01778	0.4
131.03386	1.1
133.01324	0.6
135.13338	0.4
139.00304	0.9
141.80992	0.3
157.01320	1.2
170.69484	0.4
175.02403	16.7
235.04558	5.9
308.34296	0.4
320.09305	0.4
423.32672	0.7
485.32513	1.8
647.38239	1.5
743.04736	0.5
752.39728	0.4
781.62140	0.4
865.42242	51.2
866.42529	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	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61509	0.6
69.03316	2.2
70.88765	1.5
71.01255	23.6
72.99172	1.8
73.02831	3.7
80.96390	1.6
81.03325	1.4
83.01252	3.4
83.04870	0.9
85.02819	4.6
87.00737	3.9
89.02319	19.0
95.01269	1.4
97.02836	3.9
97.06516	0.7
99.00754	1.2
101.02325	17.6
105.30560	0.7
111.04536	0.7
111.08006	0.9
113.02341	7.5
119.03391	3.7
125.02347	4.9
131.03358	0.9
143.03395	1.8
161.04475	2.5
165.12753	6.8
179.05553	1.8
183.13832	51.4
184.14163	2.9
209.11726	0.8
221.06683	3.1
227.12788	3.3
235.08156	2.4
248.02324	0.6
255.23273	68.3
256.23572	6.4
379.12369	1.8
397.13519	10.4
398.13727	1.2
415.14496	2.1
607.25391	1.3
625.26746	1.3
676.93811	1.0
733.98444	0.9
863.50067	100.0
864.50415	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	863.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.6
71.01255	11.4
72.99184	5.7
75.00749	3.7
83.04911	1.8
83.19664	1.6
85.02835	3.4
87.00748	4.0
88.98672	2.7
89.02322	6.2
96.95878	2.4
99.00773	4.0
101.02337	4.7
103.48778	1.4
105.09399	1.5
113.02329	4.3
114.59541	1.7
115.00271	6.3
116.92780	2.3
119.03420	1.4
125.02364	1.7
141.01596	5.0
142.99706	7.1
145.02844	2.0
157.18001	1.4
161.04480	1.8
165.12791	8.2
174.01599	12.0
175.02390	9.0
183.13840	71.2
184.14159	4.3
193.12233	1.6
209.11745	2.9
211.13341	57.3
211.15373	2.8
212.13686	3.7
223.13399	2.6
227.12868	2.9
253.09230	3.2
262.59882	1.9
298.72565	1.7
415.14755	1.9
473.61823	2.1
503.13358	2.0
657.34924	100.0
658.35315	17.4
689.59290	1.6
713.33740	6.8
751.33698	1.8
753.33484	1.7
795.34961	1.7
813.35510	17.3
814.36536	1.9
831.37286	1.8
863.41895	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	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.7
69.78373	6.1
71.01257	23.2
72.99180	2.3
73.02823	3.6
75.21026	1.0
78.23283	0.9
80.96394	3.5
83.01236	2.2
85.02824	3.7
87.00756	4.0
89.02316	15.3
89.32403	1.2
95.01263	2.2
97.02843	1.8
99.00742	1.3
101.02325	13.1
111.08044	1.0
113.02325	8.0
119.03391	3.2
125.02322	2.9
143.03433	1.5
147.00159	1.2
161.04437	2.4
164.98456	1.0
165.12776	4.9
179.05579	3.1
183.13828	66.6
184.14163	2.5
209.11766	2.8
221.06581	2.8
227.12863	7.6
235.08189	2.9
244.56699	1.0
255.23274	38.8
256.23636	3.2
258.91501	1.0
291.19696	2.2
293.21207	2.0
397.13654	10.3
415.14795	2.0
591.70874	1.4
607.25989	1.9
625.26990	2.6
629.56488	1.1
707.55170	1.1
863.50018	100.0
864.50323	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	861.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98653	1.7
63.21280	1.6
67.72586	1.6
69.35057	17.6
70.94743	1.8
71.01247	23.9
72.99155	2.2
73.02804	4.1
75.29179	1.8
83.01240	2.6
85.02827	4.1
87.00739	4.8
89.02316	19.3
95.01234	2.3
97.02850	3.5
98.20506	3.3
99.00742	1.8
101.02322	16.0
113.02312	10.3
116.92736	5.1
119.03378	3.8
125.02309	3.9
161.04422	2.5
165.12741	6.0
179.05559	3.6
183.13824	53.7
184.14191	3.9
207.10254	3.2
209.11790	5.1
221.06723	4.7
225.11165	4.0
227.12793	5.4
235.08136	2.8
253.21712	79.0
254.22046	4.6
255.23305	3.6
262.43790	2.1
332.59052	1.8
379.12357	2.8
397.13574	16.3
641.37390	2.1
671.94965	2.2
861.48462	100.0
862.48535	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	861.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86854	0.1
70.34485	0.4
71.01243	0.3
72.99174	0.1
75.00751	0.2
78.95751	0.2
79.95602	3.2
88.98664	0.1
89.02326	0.2
94.52827	0.1
94.97983	0.1
96.95889	100.0
97.95827	0.4
99.00765	0.2
112.46107	0.1
114.93286	0.2
115.84837	0.1
123.77679	0.1
136.15501	0.1
142.58505	0.1
171.10237	0.1
180.99872	0.1
209.11702	0.1
256.64230	0.1
282.54382	0.1
309.20874	0.1
455.35788	0.1
581.19806	0.1
763.42908	1.2
764.43622	0.3
861.37701	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	861.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	13.9
69.58337	58.7
71.01261	49.8
73.02826	19.0
78.66692	6.9
85.02827	14.2
87.00748	18.8
89.02344	22.1
96.95886	13.9
101.02348	28.3
113.02332	21.8
115.61542	8.3
119.03402	7.0
125.02357	11.1
134.01691	6.7
134.03630	25.2
140.39673	6.8
149.05986	7.3
150.03142	14.7
160.83405	8.1
165.05478	12.2
171.10220	45.4
175.03819	7.6
193.05023	26.9
211.13327	9.0
229.56973	8.2
231.13766	9.4
233.15408	27.8
249.14938	29.5
341.24722	8.1
385.23709	16.8
397.13376	13.6
403.24771	26.8
421.26175	20.7
482.30429	8.7
530.25360	8.3
541.62402	7.8
586.09479	8.1
779.47919	9.0
783.38135	64.6
784.38104	11.3
801.39032	100.0
802.38959	15.3
817.45117	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	861.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.5
69.03329	2.3
71.01256	25.7
71.37369	1.7
71.37706	1.7
72.99178	2.4
73.02821	4.0
76.45447	1.0
81.03361	2.0
83.01274	2.1
83.04896	1.5
85.02830	6.6
87.00777	5.3
88.98683	3.8
89.02328	18.3
96.95280	1.8
96.95900	35.8
97.02827	8.0
99.00789	1.9
101.02323	16.4
111.08040	6.1
113.02344	10.6
119.03394	4.0
125.02341	8.8
125.09612	4.0
127.11170	2.3
143.03394	2.2
153.09148	2.1
161.04440	4.1
165.12807	1.8
169.12248	2.6
171.10182	100.0
172.10559	3.9
179.03426	1.3
179.05548	6.1
181.12317	1.8
187.09727	1.4
197.11774	28.1
198.11983	1.6
199.13260	1.3
209.11766	2.4
211.13319	4.7
214.82372	1.1
221.06645	3.2
227.12894	2.7
235.08298	5.5
247.20721	2.5
253.09250	1.4
263.20044	1.3
287.07681	2.4
291.19659	31.0
292.20020	2.4
305.08713	2.9
309.20706	94.9
310.20996	9.0
320.71143	1.2
323.09885	1.9
343.89267	1.4
379.12448	5.6
397.13483	41.1
398.13995	3.7
415.14603	15.1
468.14236	1.2
568.64020	1.0
569.24554	2.3
627.11420	1.2
689.34247	1.2
707.35156	1.9
771.19904	1.2
861.44000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93414	10.2
61.98684	18.8
62.92926	9.5
62.94101	9.3
78.55605	9.3
98.20658	22.2
116.92760	17.1
125.33514	10.4
134.70219	10.2
143.67421	9.4
171.10185	21.5
196.51797	9.9
218.11569	10.8
236.18961	11.4
253.09225	33.2
277.21759	62.9
278.22009	10.1
283.46271	12.0
286.26776	10.8
309.20685	33.4
327.21729	100.0
506.32922	11.4
545.29266	20.9
563.30432	16.5
859.49066	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98678	0.1
71.01257	0.3
75.00742	0.3
78.95777	0.1
79.95607	3.5
85.02821	0.1
88.98661	0.1
89.02316	0.1
96.95887	100.0
97.92947	0.2
97.95823	0.2
98.20661	0.2
99.00723	0.1
114.93280	0.2
137.19810	0.1
154.24927	0.1
180.53563	0.1
260.21655	0.1
515.55225	0.1
585.50140	0.1
763.42749	1.0
764.42700	0.2
861.35950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68472	6.0
71.01250	6.5
71.20766	12.6
89.02319	5.7
101.02312	12.5
116.92717	16.3
129.22697	5.3
133.05043	6.7
145.04971	7.3
171.10150	11.4
199.13243	5.8
211.13373	9.3
213.18506	6.2
235.08177	49.2
253.09247	42.2
271.93781	6.0
277.21716	100.0
278.22083	10.5
309.20728	13.9
327.21860	75.7
328.22021	7.8
513.30750	10.0
859.49475	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	858.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02290	0.7
64.91635	0.6
65.00195	1.0
70.23874	3.1
75.15820	0.7
78.74368	0.6
83.01257	0.8
89.02370	0.6
107.01294	1.6
132.02074	2.0
148.11183	0.6
151.00238	3.2
163.00333	1.0
164.00987	0.7
178.99779	0.8
181.51556	0.6
183.04391	1.1
195.00848	0.7
195.06514	0.9
199.03816	0.9
211.03966	2.3
227.03448	58.0
228.03761	3.8
229.05003	2.1
239.03378	1.1
255.02965	96.4
256.03497	10.7
257.04425	1.2
267.07516	0.7
283.02509	2.6
284.03259	100.0
285.03903	14.9
286.04193	0.9
305.97217	0.8
315.05350	0.8
318.00815	0.8
339.05121	0.7
347.97488	0.8
411.39380	0.7
762.88312	0.8
797.23102	0.9
800.50372	0.7
858.24609	48.9
859.24756	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	859.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	1.2
71.57928	1.2
74.63445	0.6
76.72473	0.6
81.27774	0.6
83.01291	1.2
96.95884	8.4
97.33184	0.7
107.01260	2.9
108.02079	1.8
123.05433	0.6
133.44554	0.7
148.01534	1.3
151.00301	5.1
157.28970	0.7
163.00339	1.6
172.08255	0.6
178.99783	2.7
180.06551	0.9
181.05330	13.9
183.04483	0.7
199.03934	2.0
201.01878	0.9
211.03973	0.8
215.03418	1.0
226.02643	1.7
227.03419	4.2
243.02965	14.0
244.03392	1.2
254.02213	2.7
255.02982	31.1
256.03336	1.7
269.04480	5.7
271.02487	74.4
272.02884	5.5
273.03922	1.1
283.02505	1.0
299.02057	4.7
300.02750	100.0
301.03314	10.2
630.16919	0.9
737.19287	0.7
769.78149	0.9
859.23016	39.9
860.23206	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	859.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01594	6.6
60.68237	2.0
66.55331	2.2
70.35989	3.9
71.01255	46.9
72.99193	3.3
73.02838	19.9
83.01247	12.7
85.02814	30.2
85.99975	2.5
87.00755	2.3
89.02324	5.5
95.01272	4.9
99.00784	10.9
101.02325	62.6
111.00834	3.0
113.02342	23.6
121.02853	5.8
122.03574	3.3
127.62983	2.3
137.02324	2.6
159.02921	2.9
161.04506	16.1
165.05476	6.3
179.07076	3.1
227.03479	21.4
228.03949	2.5
249.13408	100.0
250.13843	3.3
255.00386	2.2
255.02965	52.6
256.03564	7.0
283.02414	14.4
284.03284	56.9
285.03845	12.7
291.14471	27.2
292.14844	2.4
346.14209	4.5
361.16583	24.1
402.03116	2.6
446.08252	3.1
523.21814	66.2
524.22260	6.8
697.17883	9.6
698.18256	3.3
859.22717	19.0
860.23676	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	856.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
70.87577	0.5
70.87913	0.7
71.01264	1.1
75.00739	2.9
85.02832	1.8
89.02323	0.7
96.95887	0.9
99.00806	0.5
111.00760	0.4
113.02334	0.7
121.81615	0.3
126.97343	0.3
131.18213	0.3
169.98645	0.3
185.78674	0.3
192.00272	0.4
196.32724	0.3
268.03812	1.4
296.03275	5.9
311.05658	7.7
601.18701	0.4
631.38367	0.4
793.43787	7.3
794.43414	1.6
866.35657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11473	3.8
69.55855	29.3
71.01255	22.6
71.05614	3.6
72.99191	4.4
73.02821	6.1
80.96356	4.1
83.01250	3.8
85.02813	5.4
87.00753	5.5
89.02317	15.2
96.95953	4.8
99.92449	9.7
101.02323	10.4
113.02328	7.2
116.92751	100.0
116.93607	4.9
117.92712	6.3
125.02335	10.6
127.11168	6.3
143.03426	4.1
171.10172	4.7
199.13341	91.9
200.13551	4.4
211.13371	7.9
216.90961	3.6
235.08170	5.7
253.09285	8.5
253.21576	7.4
256.66266	3.7
277.21744	61.2
278.22003	3.8
291.19769	5.8
293.21216	20.2
309.20645	16.8
316.22638	5.7
379.12448	8.4
397.13571	34.0
415.14426	4.4
443.72455	3.6
473.32135	3.8
802.82861	4.7
857.48010	10.6
858.48303	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.1
69.79230	0.6
71.01254	14.2
71.49460	1.0
72.99184	1.2
73.02824	2.5
74.64756	0.6
75.00741	0.7
80.96396	1.0
81.03331	0.7
83.01267	1.7
85.02820	3.4
87.00763	3.6
89.02318	11.5
91.03894	0.7
93.07787	0.7
95.01259	1.3
97.02821	2.1
101.02332	11.2
109.02834	0.7
113.02344	5.9
116.92757	4.3
119.03403	3.2
125.02328	5.6
127.11094	1.3
139.03893	0.6
143.03398	2.1
153.12805	0.7
161.04471	2.2
179.05466	2.9
197.11792	1.0
199.13336	100.0
200.13687	5.2
221.06639	1.2
235.08194	5.7
238.09401	0.6
253.09337	1.2
277.21719	44.0
278.22229	3.7
287.07709	1.6
293.21219	0.9
305.08813	1.7
323.09686	1.1
379.12595	4.7
397.13510	27.9
398.13834	2.3
415.14600	7.6
459.35049	0.8
579.26697	1.3
597.27490	1.2
857.47888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19560	0.7
67.71217	0.6
69.03297	2.6
70.44261	1.5
71.01251	8.6
71.30007	0.6
72.99112	0.8
73.02782	2.3
76.26282	0.6
83.01207	1.3
83.04862	1.3
85.02355	0.8
85.02821	11.0
85.99928	0.9
87.00728	1.8
89.02320	4.9
91.03845	0.7
96.95908	3.8
97.02814	6.0
97.06418	3.0
99.00678	0.9
101.02314	8.4
111.08058	6.7
113.02321	4.0
119.03373	1.5
123.08029	1.6
125.09557	2.4
127.11116	1.6
137.09607	3.9
143.03349	0.8
145.04903	0.9
151.11151	1.1
153.12726	1.0
155.10628	1.3
161.04443	3.7
163.11198	1.8
165.12787	3.9
167.10687	0.7
169.12209	2.3
171.10181	34.2
172.10493	1.5
177.12744	1.7
179.05467	1.1
181.12219	1.2
183.13821	3.7
193.12219	2.2
197.11768	27.8
198.12164	1.5
198.47647	0.7
199.13313	1.1
201.04128	0.7
201.11206	1.2
209.11751	3.2
211.13342	17.8
212.13739	0.9
212.80305	0.6
221.11879	3.2
222.45206	0.8
223.13332	1.0
227.12798	3.0
228.17749	0.7
229.14383	8.9
235.08215	9.6
239.12857	2.3
247.20612	2.9
253.09271	37.4
254.09692	1.3
263.20157	2.1
273.18591	1.6
291.19675	34.3
292.19974	2.7
293.21262	1.4
309.20712	89.1
310.21030	8.7
321.64551	0.8
327.21765	100.0
328.22119	7.8
343.21109	2.0
429.50339	0.7
433.21024	0.8
527.28571	0.9
545.29608	4.7
563.30182	4.5
619.41895	4.0
620.41736	1.2
840.08679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
67.68486	0.3
68.99698	0.5
70.15590	0.2
71.01257	8.4
71.44731	0.5
72.99197	0.7
73.02837	0.9
75.00748	4.1
77.04156	0.3
78.95811	0.3
81.53713	0.3
83.01256	0.9
85.02826	3.8
87.00777	0.5
89.02319	3.0
91.00333	0.3
95.01274	1.5
96.95883	0.6
99.00757	5.3
99.01359	0.5
101.02314	2.8
113.02345	3.0
119.03400	0.8
139.00288	0.5
145.17366	0.3
157.01340	0.4
185.65901	0.3
394.72174	0.3
453.34012	1.6
455.35489	1.6
497.36560	0.3
523.37939	0.8
537.34991	0.5
569.38513	2.1
587.39227	0.5
610.74396	0.3
613.37231	1.6
793.43793	54.7
794.44183	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	855.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.2
69.56670	1.4
70.02853	8.6
71.01257	0.7
71.02377	2.9
72.00780	3.5
74.88595	0.1
74.95327	0.2
85.02855	0.2
86.08749	0.2
88.01972	0.1
88.03925	0.3
89.02346	0.4
95.02389	8.6
96.00779	0.6
96.95899	0.3
98.20555	0.2
99.92491	0.2
101.02372	0.2
111.01894	2.8
113.03458	35.6
114.01858	28.6
114.03660	0.3
115.02205	0.5
116.92744	3.0
127.53863	0.2
128.02118	0.2
131.04523	100.0
132.02943	0.9
132.04933	1.2
157.06142	0.7
169.71899	0.2
171.10239	0.6
197.11642	0.2
209.11778	0.6
211.13335	0.4
227.12787	0.2
239.12695	0.3
243.78485	0.2
253.09267	0.8
277.21826	1.8
291.19641	0.6
293.21286	0.4
309.20789	0.6
327.21780	1.1
328.22198	0.2
350.13098	0.2
485.33041	0.5
520.10968	0.2
566.88031	0.2
635.59204	0.2
676.52417	0.2
770.97577	0.2
855.48895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81981	0.8
61.98709	1.0
69.03334	2.0
71.01250	9.4
73.23243	0.7
78.95792	0.9
79.95612	1.4
83.01251	1.4
83.04881	1.7
85.02827	5.7
87.00761	1.9
89.02312	4.7
91.26917	0.7
95.01274	1.1
95.04890	1.0
96.95889	21.6
96.96812	0.9
97.02824	2.5
97.06458	4.9
98.95436	1.3
101.02320	6.4
111.08056	6.2
113.02345	4.3
116.92728	1.2
123.08109	1.2
125.09601	1.2
127.07465	0.9
127.11147	2.0
137.09599	1.9
151.11195	1.5
155.10677	2.1
161.04485	3.5
163.11189	1.1
165.12747	1.5
167.10652	1.0
167.14244	1.2
169.12231	2.5
171.10190	19.8
177.12738	1.0
179.05510	1.5
181.12231	1.9
181.62369	0.8
183.13834	5.7
185.11757	2.5
193.12241	1.6
195.13739	1.2
197.11761	32.4
198.12131	0.9
199.13315	2.3
201.11147	0.8
209.11713	4.3
211.13354	25.9
212.13672	1.8
221.11777	3.5
227.12881	2.7
229.14407	17.5
235.08241	3.4
239.12878	3.0
247.20700	2.0
251.16452	0.8
253.09268	35.3
254.09554	1.6
263.20120	2.3
273.18640	1.2
291.19659	21.6
292.19992	2.0
293.21234	5.6
309.20715	80.3
310.21124	9.2
327.21759	100.0
328.22107	8.5
339.66623	0.8
343.21335	6.2
433.20544	1.0
447.10245	1.0
545.29364	2.1
563.30719	5.6
564.30402	0.9
619.42255	3.4
855.50043	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	855.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.3
70.02856	7.8
71.01246	0.8
71.02383	2.9
71.57246	0.2
71.57617	0.2
72.00780	3.1
80.22157	0.2
82.94841	0.1
85.03974	0.2
86.02341	0.3
87.05526	0.2
89.02330	0.2
93.41252	0.2
95.02390	8.6
96.00776	0.4
96.95895	0.4
107.79559	0.1
109.06449	0.2
111.01884	2.7
113.03459	37.1
114.01860	26.7
114.03759	0.5
115.02199	0.2
116.92754	0.2
131.04524	100.0
132.04877	1.5
157.06071	0.8
171.10158	0.4
197.11781	0.6
209.11745	1.1
211.13332	0.4
212.13928	0.2
227.12779	0.3
231.89113	0.2
246.65390	0.2
253.09322	0.5
272.18640	0.2
277.21695	1.0
291.19635	0.4
302.85361	0.2
309.20688	0.8
310.20975	0.2
311.21652	0.2
325.20114	0.3
326.20596	0.3
327.21503	0.7
343.21246	0.2
441.54138	0.2
483.66357	0.2
485.32529	0.2
514.31317	0.2
855.49506	0.5
856.47821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.2
69.34972	0.2
70.02853	9.1
71.01255	0.8
71.02375	3.5
72.00786	3.3
86.02359	0.2
92.32946	0.2
95.02388	9.1
96.00824	0.6
96.95913	0.3
109.06509	0.2
111.01894	3.1
113.03458	37.6
114.01859	29.4
114.03660	0.4
115.02202	0.4
131.04523	100.0
132.04895	1.1
140.71733	0.1
157.06094	0.8
158.89136	0.2
171.10167	0.4
173.30936	0.2
197.11784	0.4
198.12045	0.2
209.11813	1.0
210.15016	0.2
227.12828	0.2
238.78206	0.2
253.09337	0.6
266.85321	0.2
272.18707	0.2
277.21661	1.1
291.19574	0.4
309.20715	0.7
310.21201	0.2
326.20261	0.2
327.21652	0.5
374.53003	0.2
855.48853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69509	100.0
72.44863	15.6
73.47488	13.4
78.95756	14.8
88.69474	14.5
96.95878	47.1
98.95450	27.3
100.70298	15.1
103.19958	15.8
118.57328	14.8
154.97426	17.3
197.11743	16.3
216.29832	12.9
226.20392	15.5
253.09419	17.7
277.21616	63.2
278.22018	19.0
293.21490	33.7
325.38776	15.1
393.57733	17.6
399.59714	17.3
620.10986	16.3
855.46234	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.0
71.01250	5.9
71.57121	1.5
73.02797	2.4
75.00730	1.0
78.93767	0.9
78.95749	0.9
80.96383	1.8
85.02818	2.6
87.00748	2.0
89.02307	2.7
95.04813	0.9
96.95889	8.6
97.02866	0.8
101.02314	4.9
113.02300	3.6
116.92731	3.1
119.03331	1.3
161.04453	2.4
171.10191	3.4
176.31209	0.9
179.14281	1.9
183.13736	0.9
193.12317	1.2
195.13821	1.6
197.11803	1.9
197.15419	1.8
209.45183	0.9
211.13315	14.7
213.14906	20.9
214.15167	1.1
223.13324	5.2
235.08278	7.8
235.13341	3.5
239.12920	1.1
241.14417	53.6
242.14697	3.8
243.15979	1.7
251.12881	5.1
253.09270	13.6
253.14365	5.8
259.13242	3.3
260.13690	1.1
277.14551	2.8
277.21716	100.0
278.22021	8.4
292.53073	1.0
293.21234	2.4
294.21509	1.4
319.03568	1.0
341.19333	1.1
341.23257	1.4
402.66049	1.0
426.90631	1.0
447.22208	1.1
459.22345	3.7
477.23444	8.7
478.24142	1.2
483.34805	2.8
489.23544	2.0
513.23657	1.4
513.30798	1.9
719.43994	1.9
737.44873	15.9
738.44580	2.5
749.44489	2.5
773.43695	1.1
789.44946	1.1
855.48792	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	855.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56017	0.8
62.05587	0.8
63.02285	1.0
68.72537	0.9
69.38369	0.9
69.40565	0.8
69.41982	3.8
69.42410	4.4
71.01257	7.5
72.99206	1.0
73.02826	1.9
75.00754	1.4
83.01266	1.6
85.02831	4.4
87.00758	1.6
88.54760	0.8
89.02333	1.8
95.01250	1.7
96.95919	2.9
99.00758	1.8
101.02339	3.6
107.01280	2.3
113.02322	5.1
117.03365	1.1
132.02066	8.4
132.54280	0.9
133.02849	1.8
134.03658	2.6
151.00299	2.4
160.01578	22.2
160.02844	1.7
161.02345	10.4
161.04489	1.2
163.00136	1.1
165.05504	1.0
175.03944	11.9
176.04393	1.0
178.99843	2.2
193.05099	2.3
211.04022	1.8
227.03461	41.2
228.03941	2.5
229.04987	1.5
255.02972	75.2
256.03616	8.2
257.04657	2.0
259.36591	0.9
267.07224	2.2
283.02475	3.9
284.03262	100.0
285.03925	14.5
286.04474	1.2
291.82745	1.1
335.89423	0.9
399.09540	1.2
404.99731	1.0
581.62433	1.0
588.59650	1.0
635.16046	15.5
636.16119	2.6
647.36481	2.7
649.17493	5.6
665.37628	5.3
693.22577	1.2
707.38269	1.8
725.40125	2.0
811.20917	41.2
812.21191	9.0
855.40204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38733	1.8
68.99667	4.5
69.03326	2.9
69.67134	11.9
71.01255	59.5
72.01586	1.6
72.99190	17.9
73.02810	6.2
75.00746	35.5
81.03319	4.3
83.01264	13.1
84.02024	1.9
85.02827	60.8
87.00742	19.6
89.02328	13.8
93.03370	3.5
95.01251	13.7
96.95922	3.3
98.19800	3.2
99.00772	25.8
99.04391	12.0
99.82310	1.9
101.02312	9.8
103.00243	5.6
109.02808	2.1
111.00764	5.4
113.02332	62.5
115.00256	4.5
117.01805	5.8
119.04893	1.7
121.02851	4.7
125.02336	13.9
129.01831	5.7
132.02068	5.2
133.02783	2.4
134.03625	3.6
135.04344	2.4
136.01595	10.6
139.00264	2.6
149.02342	1.9
150.03123	1.7
151.00264	5.2
151.03888	8.3
157.01299	4.4
160.01595	13.4
161.02319	5.2
165.01910	2.8
165.05490	1.9
166.02644	15.3
175.02405	6.4
175.03900	8.3
181.04980	20.4
182.05394	2.0
205.07185	4.0
227.03461	30.0
228.03922	3.1
231.05054	4.5
249.06139	56.0
255.02972	46.9
256.03458	4.1
267.07214	100.0
268.07535	3.0
283.02386	2.9
284.03265	53.1
285.03848	10.6
309.08279	42.2
337.86517	1.9
351.09384	3.1
357.09619	3.4
372.11832	2.6
387.14368	6.9
403.31305	2.0
421.73361	2.0
425.12912	3.8
447.16580	3.4
461.18167	3.1
489.70410	1.8
503.19379	3.9
543.22064	2.9
578.56427	2.0
605.22314	4.2
635.15942	6.8
647.36877	2.6
649.17279	3.9
665.37366	3.8
811.21033	17.9
812.21063	3.8
855.29108	81.7
856.29175	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	855.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53190	0.8
71.01238	7.0
72.99181	2.0
73.02813	2.2
75.00758	2.2
83.01254	2.0
85.02839	4.9
89.02332	1.6
92.81157	1.1
93.03324	1.3
95.01292	1.1
96.95878	3.9
96.96438	0.9
97.02814	1.1
99.00748	1.1
101.02332	2.7
107.01273	2.4
113.02313	5.1
125.02363	1.7
131.04535	1.0
132.02074	8.2
133.02837	3.0
134.03606	2.4
135.00822	1.7
135.04251	1.1
145.02803	1.2
150.03172	1.7
151.00270	1.9
151.03886	1.2
160.01579	23.2
161.02344	12.3
173.62964	0.9
175.03917	14.3
178.99782	2.2
179.73097	0.9
183.04483	1.5
199.03787	1.2
211.03923	2.9
227.03456	42.6
228.03906	2.1
229.04872	1.3
229.88522	1.9
249.06183	1.4
255.02975	81.8
256.03485	7.7
257.04504	1.6
267.07166	1.7
283.02502	3.7
284.03268	100.0
285.03912	17.6
298.04803	2.3
462.24426	1.1
503.32196	1.7
573.58069	1.4
617.14648	1.0
635.16223	15.5
636.16437	2.0
647.36420	3.4
649.17706	5.5
665.37286	4.4
693.24548	2.2
725.39014	1.4
811.20880	41.3
812.21387	6.8
812.44641	1.2
855.40167	1.5
875.51825	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	853.478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96138	2.3
65.89052	2.0
69.34206	18.9
69.84319	1.9
71.01248	9.4
74.80568	2.1
78.98454	6.4
79.95609	31.2
80.96394	86.8
85.02811	4.5
87.00726	3.4
94.97970	20.1
97.02843	1.9
101.56100	1.9
106.97955	4.1
107.40110	1.9
122.97477	3.5
125.02328	1.8
128.25571	1.9
134.97487	4.2
137.04922	2.0
148.99069	6.4
150.70305	1.9
152.98523	6.9
164.98531	10.7
177.25485	1.9
206.99716	2.5
225.00720	15.9
303.07837	2.1
321.60907	2.1
322.00980	2.2
467.60532	2.3
846.84436	2.5
853.47754	100.0
854.48395	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	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	2.8
69.03333	3.4
70.78519	2.0
71.01265	14.3
73.02811	2.4
80.02547	2.0
80.73238	2.0
81.03302	2.0
82.48147	2.2
83.01256	3.4
83.04903	4.6
85.02840	12.7
87.00745	2.9
89.02323	7.7
95.04890	4.5
96.95885	4.2
97.02834	5.3
97.06465	8.8
100.80255	1.9
101.02328	10.6
109.06483	6.1
109.09129	1.8
111.08047	3.3
113.02332	8.1
119.03391	2.2
125.09621	7.7
137.09612	8.0
143.37465	1.8
151.11162	2.0
161.04526	5.2
163.11194	5.5
165.12679	5.0
167.10683	1.7
169.12148	3.4
171.10185	32.4
177.12747	2.4
181.12213	3.8
183.13829	4.6
185.11699	8.5
191.10638	2.4
191.14317	4.0
193.12289	2.7
197.11754	21.9
201.11203	2.2
203.77495	1.8
206.79819	1.8
207.10094	2.2
209.11795	22.4
211.13344	29.8
225.11177	3.2
227.12675	2.6
229.14409	7.6
235.08182	15.8
235.13374	2.9
237.11313	3.4
237.14818	2.0
239.12788	2.5
245.19113	12.6
253.09270	46.3
263.20078	6.9
273.18384	1.9
277.21732	3.2
289.18103	60.8
290.18347	4.3
291.19678	20.5
293.21341	11.7
307.19150	61.0
308.19620	2.5
309.20743	40.3
310.21060	2.7
325.16684	2.6
325.20206	33.1
327.21753	100.0
328.22134	7.1
341.19485	3.4
543.28180	3.9
563.30969	2.7
645.45050	2.4
853.49475	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	853.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99180	18.3
61.98693	0.6
62.38589	0.2
69.24352	0.2
71.01249	0.9
71.41637	0.2
75.00761	0.4
78.95801	0.3
85.02817	0.6
88.98682	100.0
89.02308	0.4
89.99026	0.9
96.95905	3.4
99.00760	0.4
110.53876	0.2
113.02324	0.4
116.92758	0.2
118.13171	0.2
123.37486	0.2
137.09636	0.3
164.49509	0.3
169.57068	0.2
171.10117	0.3
188.66696	0.2
197.11836	0.3
291.19717	0.4
309.20657	0.4
332.88519	0.2
353.99005	0.2
366.92538	0.3
439.91898	0.2
545.69470	0.3
718.36835	0.3
763.42670	6.1
764.43250	0.9
793.39471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.0
67.01759	1.0
68.99697	0.5
70.28539	2.3
71.01255	14.1
72.99172	4.5
73.02805	1.7
75.00748	37.0
83.01257	2.0
84.02050	0.7
85.02824	37.1
87.00765	5.8
88.89746	0.6
89.02322	1.5
95.01280	3.6
98.42726	0.6
99.00761	5.5
101.02307	0.8
111.00766	0.7
112.01566	1.1
113.02334	20.8
115.00256	2.4
115.68196	0.6
116.01019	0.8
117.01825	1.1
129.01833	0.6
154.10132	0.5
157.01340	1.1
170.14561	0.6
175.02287	0.7
175.39861	0.5
185.51810	0.5
227.91098	0.5
239.07602	0.5
274.34271	0.6
423.32700	1.2
439.32050	1.8
469.33282	1.5
471.34882	10.6
472.34729	1.1
485.36148	0.8
500.45810	0.6
585.38007	1.7
603.38910	1.5
647.38000	24.8
648.38605	3.4
689.39514	3.2
809.42365	0.6
851.44360	100.0
852.29108	1.2
852.44635	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	849.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	52.1
67.01771	1.3
68.99687	2.2
69.57811	1.0
70.30196	1.1
70.80283	1.2
71.01257	11.7
71.07153	2.0
72.99181	3.8
73.02833	2.5
73.41763	1.0
75.00746	10.4
78.61494	1.1
80.25753	1.0
83.01256	5.1
83.04845	1.1
85.02819	18.5
85.35516	1.1
87.00734	5.5
89.02306	3.2
95.01273	6.6
95.04998	1.0
95.33788	1.1
96.64365	0.9
96.95897	4.0
97.02773	1.0
99.00759	6.4
101.02329	3.3
111.00755	14.6
113.02346	13.6
115.00290	1.9
119.03409	1.3
124.01549	1.4
129.01843	2.2
139.00241	2.5
171.10135	1.5
175.02501	1.4
183.13831	3.7
193.11926	1.1
196.57326	1.1
211.13335	2.4
246.63196	1.1
423.32541	1.6
469.33383	11.5
470.33191	1.2
511.34354	4.0
557.29028	1.4
565.35419	3.1
583.36395	44.4
584.36957	5.8
597.38147	1.4
599.58643	1.2
627.35199	6.2
628.35596	1.5
639.46021	1.2
647.37744	1.2
657.35254	2.6
687.36884	5.5
789.40173	1.7
807.41516	4.1
849.42810	100.0
850.43329	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	851.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	54.6
68.99686	2.5
71.01263	35.9
71.58562	2.2
71.58938	2.7
72.99180	7.9
73.02821	4.0
75.00732	6.8
83.01254	3.7
83.04884	2.3
85.02834	18.2
86.02334	2.7
87.00732	6.3
87.51463	1.9
89.02322	10.1
96.95914	9.4
97.02809	5.7
97.06458	6.2
99.00285	1.9
99.00779	23.2
101.02328	14.9
104.56200	1.8
113.02347	14.1
116.03416	2.7
119.03368	2.2
123.07983	2.6
125.02357	2.4
125.09595	4.8
143.03433	2.0
147.99617	1.9
157.01376	1.8
163.11168	8.6
165.12733	4.7
171.10229	2.1
175.02353	4.0
181.12273	9.8
183.13855	37.7
184.14116	2.3
193.03360	2.1
199.13271	6.5
207.10201	21.0
209.11824	2.9
211.13281	2.3
221.06430	2.7
225.11301	28.1
226.11568	2.3
227.12813	4.4
242.89230	2.2
243.12411	10.0
274.26669	1.7
315.75620	2.2
327.21643	2.6
585.37958	2.8
625.27142	3.0
629.36938	12.4
791.41882	5.1
807.38721	5.7
823.40906	6.0
824.42065	2.9
833.37183	3.4
837.27313	2.3
851.39362	100.0
852.39386	20.7
865.26154	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	851.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	27.6
61.80968	1.2
61.98697	8.0
71.01265	23.4
71.38159	3.4
72.99174	2.9
73.02806	3.8
77.39484	1.6
83.01277	3.0
85.02824	7.7
87.00745	5.1
87.32317	1.5
89.02325	18.0
96.95895	4.7
97.02847	3.0
101.02329	17.0
106.45388	1.4
111.07939	2.0
113.02338	10.3
119.03379	5.0
125.02341	4.8
161.04422	2.7
165.12762	11.5
171.10179	3.7
179.05521	3.5
183.13834	74.8
184.14143	3.6
209.11769	3.7
211.13344	72.6
212.13673	3.1
215.12692	3.6
221.06604	2.4
227.12775	4.7
235.08205	4.3
253.09393	2.4
289.18097	2.5
319.91983	1.5
321.43845	1.6
325.20245	1.8
397.13403	12.9
415.14307	3.7
607.25812	2.4
722.03802	1.7
819.40289	100.0
820.40802	14.0
851.42963	21.3
852.43646	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	847.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96043	0.5
63.14763	0.6
63.96115	2.3
66.34575	0.4
69.03336	0.7
69.92908	2.9
71.00891	0.8
71.01258	9.4
73.02825	2.1
78.98463	6.8
79.95614	18.8
80.96396	100.0
82.95964	1.2
85.02817	4.1
87.00761	3.3
94.97967	20.3
96.95907	1.4
97.02841	2.0
99.00727	1.2
101.02308	3.3
106.97971	4.4
122.97475	4.7
125.02375	3.3
127.03918	1.2
129.80840	0.5
134.97487	5.8
136.99040	1.8
148.99068	7.5
152.98570	6.9
163.90445	0.5
164.98552	12.8
206.99654	2.2
207.19293	0.5
217.37550	0.5
225.00711	17.2
226.00935	0.9
255.23239	1.3
256.23975	0.6
256.85294	0.5
435.67383	0.6
520.22583	0.5
537.27814	0.6
591.24908	1.4
692.43634	0.5
847.48810	99.8
848.49176	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	847.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	16.1
65.56954	3.3
71.01250	11.4
71.24216	3.4
71.57529	4.0
73.02834	4.2
75.00751	7.7
78.65669	4.2
85.02820	10.6
87.44649	4.2
89.02299	5.3
94.69593	3.6
95.01247	4.0
99.00743	5.3
100.31284	3.6
103.00269	4.4
113.02333	19.2
121.02924	3.9
134.03638	31.8
149.06055	4.2
189.60341	4.2
193.05058	24.1
249.06076	17.0
267.07074	34.4
343.19022	4.3
371.09607	6.4
443.11938	100.0
444.12302	6.4
445.21066	5.6
513.71265	3.9
556.18256	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
63.96114	1.4
69.03342	0.6
71.01256	6.7
73.02814	1.5
78.98462	5.3
79.95608	15.1
80.96392	69.1
81.03329	0.8
82.95979	0.6
85.02817	2.4
87.00731	2.5
87.68565	0.5
90.33327	0.5
94.97958	15.1
96.95872	1.1
97.02833	1.1
98.20535	1.7
99.00732	0.7
101.02324	2.1
106.97962	2.3
122.97491	2.8
125.02329	2.2
127.03910	0.6
133.27751	0.5
134.97484	5.5
136.99043	1.3
148.99049	5.6
152.98563	4.9
164.98552	9.2
167.55208	0.5
169.37685	0.5
183.94846	0.6
206.99626	2.5
225.00702	14.2
255.23192	0.6
459.86816	0.6
537.27100	0.8
550.98206	0.5
591.24738	1.4
847.48804	100.0
848.49121	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.6
63.26176	0.6
67.01767	1.0
67.53107	0.6
69.41026	0.6
69.41344	6.0
71.01254	1.7
81.03300	0.8
85.02845	0.8
85.67162	0.5
93.03312	0.7
95.01279	1.2
96.95881	1.9
107.04941	1.2
109.02838	4.3
111.00802	0.7
120.22791	0.6
121.02859	0.7
123.00758	2.7
125.02335	0.6
133.02867	0.9
135.04398	1.3
136.01556	2.1
137.02351	26.9
138.03090	0.9
139.03871	1.0
145.02846	0.7
149.02376	1.6
149.05898	0.7
150.03156	3.2
151.00290	13.2
151.03926	5.1
152.01048	3.2
152.04677	2.6
153.01790	1.0
153.05415	0.8
159.04416	0.8
159.73711	0.6
161.02353	0.8
162.03041	0.8
163.03908	1.6
164.01030	1.8
164.04773	0.7
165.01848	100.0
165.05457	3.7
166.02638	34.9
167.03397	3.2
171.12321	0.5
175.02477	0.8
175.03943	2.5
177.01822	2.6
177.05449	1.7
178.02592	1.1
179.03424	22.5
179.06891	0.9
179.67821	0.7
180.04207	54.8
181.04991	42.1
181.06261	0.4
182.05385	1.3
187.03990	1.6
190.02577	0.7
190.06316	0.9
191.03433	1.6
192.04156	1.4
193.05017	2.1
194.05817	3.3
195.02856	2.4
195.06566	71.7
196.06937	3.2
203.03490	0.8
205.05000	6.3
207.06551	1.6
209.08142	0.6
210.05290	12.5
211.05827	1.2
219.06633	1.2
220.07426	2.8
223.06178	0.7
224.90656	0.6
225.07645	65.1
226.07938	2.9
235.09467	0.6
279.06430	0.7
284.03171	0.6
339.08417	0.9
357.38770	0.7
359.11453	2.1
371.11334	1.4
372.12234	0.8
386.13840	0.9
387.10022	6.6
387.15231	7.3
402.13257	4.6
403.13971	2.7
416.14719	2.8
417.15540	59.5
418.15976	5.5
503.88879	0.6
547.16174	0.6
551.18573	0.7
565.20386	2.8
580.19220	1.3
595.21875	56.5
596.22247	8.4
606.96466	0.7
613.23193	1.1
643.23981	19.0
644.24310	2.6
776.81378	0.6
816.56439	0.6
884.20477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.5
60.60715	0.6
61.98697	1.6
69.03319	1.5
70.09347	0.6
71.01255	18.4
72.99178	2.9
73.02850	1.8
82.07747	0.8
83.01262	1.9
85.02825	4.6
87.00750	4.9
88.98682	2.6
89.02321	15.7
95.01258	0.9
95.04941	0.8
97.02839	2.1
99.00762	0.9
101.02329	14.5
110.45026	0.7
111.00765	1.1
113.02316	6.3
116.92742	2.4
119.03378	4.3
125.02325	5.9
127.11190	1.7
139.03894	0.7
143.03415	2.6
161.04466	3.6
167.94144	0.6
171.10184	77.7
172.10542	3.0
178.71402	0.6
179.05531	4.0
180.70204	0.7
195.13855	7.5
211.13345	2.0
221.06555	1.8
223.13367	5.3
224.13751	0.6
235.08246	4.8
275.20108	6.7
287.07739	1.7
291.19751	0.9
293.21228	100.0
294.21579	8.0
305.08746	2.3
323.09830	1.0
379.12344	2.5
387.25101	0.9
397.13525	37.4
398.13766	2.2
405.26465	2.3
415.14569	12.4
416.14920	0.7
521.73193	0.7
569.24841	1.6
744.02917	1.0
785.39868	8.5
786.39630	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	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.4
64.31545	0.8
69.03321	2.2
71.01254	16.8
71.57034	1.0
72.99177	1.5
73.02809	2.1
78.95773	1.4
80.02545	0.9
80.96390	0.9
81.92234	0.9
83.01266	1.4
83.04903	1.2
85.02833	4.4
87.00751	3.7
88.98669	1.1
89.02318	12.1
89.44412	0.9
95.01276	2.0
95.04880	1.6
97.02814	2.7
97.06464	16.5
99.00721	1.1
101.02324	11.2
113.02349	5.0
119.03401	3.0
123.08051	8.5
124.01436	0.9
125.02314	2.4
125.09613	78.6
126.09954	2.1
132.14204	0.8
143.03436	1.3
143.10641	1.3
161.04465	1.0
169.08627	1.7
171.10204	2.2
187.09685	42.3
188.10020	1.9
209.11707	2.4
221.06694	0.9
235.08212	2.2
253.09106	1.3
277.17111	1.3
277.21735	33.8
278.21997	3.0
293.28894	1.0
397.13568	8.7
415.14792	2.2
567.22650	3.6
585.23993	2.5
845.45343	100.0
846.45892	22.8
878.72003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.7
59.90584	1.6
62.48836	1.5
71.01254	26.5
72.99174	2.4
73.02829	1.7
75.00742	8.6
76.18509	1.5
80.91560	9.5
83.01232	2.3
85.02804	8.0
85.23626	1.5
87.00751	2.3
88.98673	4.2
89.02341	9.8
93.38413	1.5
95.01270	2.5
96.95903	1.8
99.00771	13.9
101.02338	4.7
113.02319	5.1
131.03372	2.1
171.10199	6.7
188.03349	1.7
201.05963	1.7
229.43858	2.7
289.29129	1.6
293.21310	8.6
397.13461	2.9
453.33652	4.7
455.35321	7.8
537.35431	2.1
569.38629	4.4
613.37292	5.9
614.37640	2.4
763.42676	100.0
764.43268	14.9
785.41174	17.3
787.77106	1.8
845.42242	16.0
846.42926	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	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.3
69.03294	1.3
69.35929	3.0
69.36345	5.4
71.01253	13.0
72.99185	0.9
73.02811	2.4
75.00729	1.4
78.95777	0.9
83.01261	1.1
85.02811	2.2
87.00748	3.1
89.02319	8.5
95.04911	1.6
97.02828	1.4
97.06466	14.9
101.02329	9.1
112.42848	0.8
113.02325	4.6
115.31506	1.0
119.03385	2.2
123.08057	8.0
125.02315	1.7
125.09618	100.0
126.09948	3.3
143.10654	1.8
152.99484	1.8
161.04485	1.4
169.08572	2.6
179.05542	2.0
187.09683	72.4
188.09982	2.2
209.11902	1.0
211.09756	1.3
221.06662	4.5
235.08102	1.2
261.13501	1.0
277.21729	13.8
278.21771	1.1
392.48489	0.9
397.13412	1.6
512.47382	1.1
567.23273	4.2
585.23975	7.3
845.45380	87.7
846.45721	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	844.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00995	1.2
59.01252	15.2
60.01604	1.1
65.00198	1.4
69.30750	8.9
73.02827	1.3
83.01263	1.6
85.02827	1.8
89.02304	0.8
98.20561	1.8
101.02299	2.4
107.01256	2.8
113.02316	0.8
114.30313	0.8
122.02390	1.1
132.02071	1.5
135.00807	1.4
151.00243	3.3
163.00259	1.7
165.05498	0.9
171.04457	0.9
178.99719	1.7
183.04425	2.5
185.02325	1.0
185.06236	0.9
187.03893	1.0
195.04366	1.4
200.04712	0.8
211.03905	3.2
227.03455	49.1
228.03848	2.5
229.05074	2.6
239.03406	1.1
240.04164	0.9
255.02968	93.3
256.03589	7.4
257.04407	2.7
283.02481	3.3
284.03268	100.0
285.03918	21.6
308.13394	0.8
492.46161	1.0
575.13647	1.3
721.19604	2.6
844.22998	41.8
845.23053	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	845.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.2
61.98690	3.0
64.96809	1.1
71.01254	23.9
72.06634	0.9
72.99201	2.2
73.02829	5.4
81.03323	1.4
83.01257	2.1
85.02818	6.2
87.00304	1.0
87.00746	6.0
87.04340	1.0
88.98684	3.9
89.02312	18.5
95.01237	1.9
96.95914	1.2
97.02814	3.7
98.19769	2.4
99.00742	1.2
101.02319	14.3
111.08039	1.4
113.02336	8.5
116.92741	2.5
119.03392	4.1
125.02360	6.7
125.09620	1.6
127.11141	1.5
132.44144	1.1
143.03383	2.6
145.04951	1.2
161.04480	3.9
170.86232	1.0
171.10182	84.0
172.10564	2.9
179.05542	5.3
195.13852	6.9
203.14330	1.3
211.13274	1.7
217.07233	1.2
221.06631	3.3
223.13274	4.8
227.57906	1.1
235.08185	4.7
275.20117	6.7
291.19611	1.5
293.21234	100.0
294.21616	6.5
305.08774	2.0
325.25354	2.6
343.26648	1.5
361.58005	1.3
369.24454	1.7
379.12442	4.7
387.25296	3.9
397.13464	43.1
398.13766	1.5
405.26575	8.3
406.26816	1.2
415.14545	15.1
569.24371	2.3
610.99738	1.2
641.36896	1.2
691.34760	1.2
708.44763	1.1
729.17261	1.1
785.39606	33.9
786.39484	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	843.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
60.78005	0.5
63.31129	0.5
64.75407	0.5
65.00195	1.1
68.00854	0.4
71.35434	1.0
96.95895	12.0
98.04699	0.5
107.01283	1.9
116.92826	0.4
129.03476	0.4
131.08018	0.5
132.02110	1.2
135.00795	1.7
135.37537	0.6
151.00282	3.4
163.00221	1.1
169.01357	0.7
178.99829	1.3
180.26236	0.5
183.04449	1.7
187.03883	0.9
211.03937	3.6
227.03456	46.7
228.03836	3.3
229.05028	1.7
241.05049	0.8
255.02975	89.3
256.03522	8.8
257.04483	2.0
283.02478	2.9
284.03268	100.0
285.03879	17.2
286.04587	0.7
418.19983	0.5
631.09467	0.6
721.20050	1.4
843.23547	41.2
844.23877	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	843.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.4
61.98702	1.7
63.96091	1.8
70.11382	2.4
70.11779	5.8
71.01257	9.6
73.02821	1.9
75.05456	1.5
75.95827	1.6
78.95775	6.7
78.98460	8.3
79.95609	20.8
80.96396	100.0
85.02849	4.0
86.21497	1.5
87.00742	4.2
94.97961	18.7
96.95896	3.2
101.02354	1.8
106.97968	5.8
122.97489	5.3
125.02353	4.1
134.97469	7.0
136.99011	2.5
137.94513	1.6
148.99057	8.6
152.98524	6.7
164.98538	15.5
177.68225	1.8
206.99661	3.0
225.00720	17.0
621.84222	1.8
843.53070	91.0
844.53387	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	841.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.6
61.98695	1.6
69.03323	3.3
71.01257	49.4
72.99177	3.7
73.02816	12.0
75.00793	1.6
83.01286	4.9
85.02821	24.2
87.00759	5.5
89.02316	12.2
95.01289	7.1
96.95892	3.2
97.02831	2.8
99.00783	5.9
101.02319	18.8
112.01572	2.6
113.02341	30.6
119.03421	3.3
124.01565	5.5
125.02343	11.0
134.03700	2.5
143.03410	7.1
161.04483	6.5
165.01797	2.0
176.87866	1.8
209.75873	1.6
229.53442	2.8
307.12482	1.7
319.16586	4.8
345.29953	3.2
489.34122	11.6
507.35361	7.0
507.42313	1.8
559.35706	1.8
615.37500	3.2
633.38611	36.4
634.39044	4.5
651.39539	61.5
652.40009	10.6
669.40643	15.6
693.40631	20.5
694.40863	2.6
711.41882	26.4
712.42419	4.7
753.42371	2.0
774.26282	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	843.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.5
63.02271	0.8
67.28900	0.5
72.99193	0.8
85.02833	0.9
88.38289	0.6
89.08257	0.6
95.70196	0.6
96.95885	2.3
98.19748	1.2
107.01290	1.9
115.00273	0.7
121.02856	4.4
122.14829	0.6
123.04436	0.7
132.02071	1.4
135.00790	1.0
151.00273	3.6
163.00323	1.2
163.06235	0.8
163.68369	0.6
165.00652	0.6
165.01836	3.4
178.99767	1.5
183.04414	2.0
189.42444	0.6
199.03954	0.9
211.03975	2.5
227.03455	47.1
228.03833	2.6
229.04968	1.3
239.03468	0.9
240.10510	0.7
255.02972	88.1
256.03574	9.2
257.04562	1.7
265.46054	0.6
283.02530	3.1
284.03256	100.0
285.03903	17.6
339.05231	0.7
368.37445	0.7
721.19916	1.0
735.89569	0.7
843.23480	43.8
844.23663	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	841.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45047	1.7
69.48891	12.9
69.49297	3.9
87.91196	1.6
98.20654	2.1
111.39506	1.7
114.19724	2.0
128.29990	1.6
151.00243	3.8
183.04471	4.3
211.03792	3.0
225.56728	1.8
227.03455	17.2
255.00232	3.1
255.02966	74.2
256.03409	8.3
283.02484	100.0
284.03223	58.1
284.05545	1.0
285.03964	22.0
412.08865	1.8
446.08478	14.3
447.08945	2.4
538.04626	2.2
635.16150	99.8
636.16656	15.2
677.16968	2.2
797.20990	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	841.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
69.03316	1.9
70.55508	2.2
70.55843	2.3
71.01261	32.0
72.99199	3.2
73.02825	7.5
83.01259	7.4
85.02824	23.2
87.00771	3.9
89.02315	6.5
95.01276	5.9
95.94850	1.2
96.95925	2.1
97.02827	4.9
99.00780	5.6
101.02340	18.0
101.82732	1.3
111.00793	2.7
111.93703	1.2
112.01570	3.4
113.02339	21.1
119.03441	1.6
123.27644	1.4
124.01585	4.1
125.02340	12.4
143.03409	4.9
161.04501	2.6
213.18546	2.0
218.15759	1.4
227.37299	1.5
299.25775	1.8
345.30081	6.4
489.34497	12.8
507.35358	7.2
508.35184	1.9
597.36914	2.0
615.37555	2.8
630.50708	1.5
633.38574	36.2
634.39215	5.4
651.39587	67.4
652.39984	15.3
669.40771	20.6
670.41138	2.7
693.40710	17.3
694.41425	2.2
711.41614	21.8
712.41925	4.7
753.42950	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	841.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.89526	1.1
68.70594	1.1
69.03312	1.6
69.87002	2.8
69.87426	3.7
71.01254	41.4
72.99182	3.3
73.02814	10.2
75.00759	2.6
83.01273	5.6
85.02825	25.8
87.00755	3.6
89.02320	12.1
95.01272	7.0
97.02841	4.7
99.00772	3.7
100.82630	1.2
101.02328	18.4
111.00781	2.5
113.02332	28.8
114.02705	1.4
116.92731	1.9
119.03393	3.2
124.01566	3.1
125.02342	11.8
131.03419	1.6
133.28391	1.2
143.03413	7.6
146.36697	1.1
161.04475	4.2
169.33929	0.9
169.46254	1.0
213.18503	2.3
299.05536	2.6
345.30093	4.7
438.62491	1.3
471.33160	1.6
489.34192	9.4
490.34723	2.1
503.12097	1.5
507.35327	5.8
508.35919	1.3
597.36322	1.6
603.37958	1.3
615.36646	2.4
633.38489	27.8
634.38788	3.6
651.39532	51.4
652.39960	8.2
669.40790	15.6
670.40759	1.5
693.40637	16.6
694.41113	2.7
711.41681	20.7
712.42236	4.4
753.42810	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	841.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
62.97345	0.9
64.34496	0.8
64.72733	0.7
69.03314	2.1
69.47273	3.6
69.47706	3.3
70.53524	0.7
71.01256	35.3
72.99191	3.1
73.02820	8.3
75.00745	2.4
75.29427	0.8
81.03307	1.0
83.01267	5.9
85.02824	21.4
85.99987	1.6
87.00772	4.9
89.02325	6.2
92.86922	1.1
95.01260	5.4
96.95874	2.2
97.02844	3.8
99.00755	3.6
100.01067	0.8
101.02325	15.9
111.00763	2.7
112.01530	1.8
113.02332	24.2
116.92713	1.5
119.03394	1.9
121.02830	1.6
124.01523	3.4
125.02343	10.4
127.55786	0.8
143.03377	5.7
159.02878	1.5
161.04396	3.1
193.48071	1.0
213.18472	1.8
255.02954	1.0
267.07175	2.1
279.49869	1.1
299.25955	1.3
345.30008	4.7
350.38455	1.1
489.34369	9.2
507.35464	6.4
585.36646	1.3
597.36401	1.9
615.37262	1.9
633.38550	39.5
634.39001	4.9
651.39575	62.4
652.39972	9.3
669.40656	15.0
670.40637	3.2
693.40582	16.7
694.40997	2.6
711.41681	25.2
712.41943	4.0
753.42712	2.7
841.41766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.9
59.37098	0.6
69.03303	1.4
71.01254	6.4
71.05724	1.4
73.02785	0.5
83.01250	1.1
85.02828	5.6
87.00749	1.0
89.02322	5.2
92.70394	0.5
95.01241	0.8
95.04903	0.6
97.02811	1.2
97.06471	3.2
101.02339	6.3
104.30803	0.6
111.08061	0.6
113.02357	3.3
113.03429	1.2
113.09631	0.6
114.01848	1.5
119.03359	1.0
119.07263	0.6
120.18990	0.7
121.81870	0.5
125.02303	0.6
125.09637	1.1
127.11150	0.7
131.03523	0.6
131.04483	3.3
137.09573	1.7
142.39368	0.6
143.03421	0.7
145.06065	0.6
155.10695	1.5
161.04500	2.7
165.57747	0.6
167.14301	0.8
171.10181	15.6
172.10500	0.9
177.12747	0.9
179.05518	1.1
179.14357	0.8
181.12247	0.7
183.13840	3.2
185.11798	1.1
193.12262	1.2
195.13829	6.9
195.99231	0.6
196.14153	0.8
197.11754	1.0
209.11760	1.5
211.13342	13.8
212.13654	0.8
221.11778	2.4
223.13377	5.8
229.14403	10.2
235.08253	6.3
239.12854	1.6
253.09267	29.9
254.09558	1.6
256.13043	0.7
275.20139	6.5
291.19757	4.3
293.21231	100.0
294.21497	7.9
309.20691	6.2
310.20993	0.8
327.21768	79.1
328.22067	5.9
441.72922	0.6
529.30151	1.1
545.30084	0.8
563.30670	4.8
603.42609	3.4
604.43085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	65.2
60.01601	1.3
67.01774	1.2
69.61996	7.5
71.00852	1.7
71.01256	66.4
72.99184	100.0
73.02819	20.0
73.99525	2.6
75.00758	6.2
83.01252	4.0
84.02024	1.4
85.02824	62.2
87.00754	7.3
89.02315	21.0
95.01266	14.0
96.95895	1.7
97.02824	1.5
99.00777	9.3
101.02331	29.1
103.00247	23.4
108.92426	1.2
111.00737	3.2
113.02332	75.8
114.02662	2.7
115.00257	2.2
119.03348	2.0
121.86597	1.1
125.02297	1.5
129.01817	6.5
131.03415	8.6
133.01340	6.6
157.01312	4.5
161.04539	2.3
163.02377	3.1
173.45816	1.3
175.02408	4.6
191.01907	6.5
193.03482	72.1
194.03749	2.2
258.05225	1.1
343.51788	1.3
412.17126	1.3
413.17972	2.5
439.31812	2.2
501.32526	2.7
560.77570	1.3
631.36426	2.5
647.37598	1.4
649.37488	4.9
661.35577	2.8
663.37189	2.8
677.35510	5.1
709.40082	1.7
795.40363	2.5
821.39545	1.4
823.41187	15.9
824.41327	6.5
839.40698	96.3
840.40692	17.7
855.40204	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67261	1.2
71.01257	10.0
71.37838	2.4
72.24001	1.1
73.02817	1.9
77.98514	1.3
78.98462	8.1
79.95605	20.6
80.96393	100.0
85.02830	3.8
87.00739	3.5
94.97963	20.9
96.95901	1.9
97.02793	1.9
101.02294	2.5
106.97961	4.0
107.09194	1.4
122.97463	4.6
125.02318	3.7
125.93484	1.1
128.56744	1.2
134.97481	8.7
136.99121	1.8
141.07715	1.4
142.61902	1.3
148.99046	8.7
149.73007	1.3
152.98499	6.0
164.98564	13.2
206.99680	2.8
225.00717	22.4
279.23318	2.0
384.33301	1.3
446.56418	1.4
527.15491	1.3
561.27112	1.8
706.88519	1.5
839.49799	85.3
840.50397	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	839.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	45.3
61.98684	2.2
65.79496	0.8
67.01745	1.1
68.99721	0.9
69.03314	1.4
71.01255	44.1
71.57796	1.4
72.99184	62.2
73.02823	13.1
75.00740	3.0
76.45267	0.6
83.01263	2.4
84.02040	0.8
85.02829	40.9
85.45251	0.7
87.00750	3.1
89.02322	12.8
95.01264	7.4
96.95902	1.6
99.00749	3.7
101.02324	17.3
103.00258	15.4
113.02338	46.8
114.02633	1.0
115.00250	1.3
129.01871	4.1
131.03410	5.9
133.01324	4.3
151.03868	0.9
157.01334	2.5
163.02444	2.7
165.01924	1.0
165.05533	1.1
175.02533	3.7
175.03754	0.8
180.04140	0.8
193.03467	38.0
194.03946	1.0
195.06613	1.4
267.07040	0.9
294.90085	0.9
312.08340	0.9
483.31085	1.4
663.37213	1.7
839.40723	100.0
840.40948	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	839.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.42319	1.5
68.99708	1.2
69.03326	2.4
69.99336	2.1
69.99742	5.5
70.94981	1.2
71.01259	47.9
72.99179	3.7
73.02829	12.6
75.00749	3.0
80.48869	1.3
81.03335	2.0
83.01276	9.6
85.02831	23.1
85.99990	1.8
87.00752	7.0
89.02312	11.8
95.01265	6.2
96.95911	2.8
97.02829	4.4
99.00744	7.1
101.02334	24.5
111.00740	4.3
111.07977	1.9
113.02338	27.5
119.03387	3.4
124.01537	4.4
124.82092	1.2
125.02357	9.4
129.01843	1.5
143.03424	6.2
150.03116	4.0
151.03963	1.6
151.11050	1.2
159.02908	2.4
160.09984	1.1
161.04446	7.8
165.01868	3.4
165.05446	2.6
179.05421	1.3
180.04242	3.3
195.06573	3.5
213.18520	4.0
343.28348	3.0
357.22955	3.0
375.23767	4.6
469.31680	5.1
487.32886	18.3
488.33020	2.2
505.33990	5.9
507.54089	1.6
512.57733	1.3
601.35217	2.1
613.35724	2.0
631.37128	28.8
632.37561	1.6
649.38025	58.6
650.38300	7.1
667.39270	15.8
668.39172	1.5
691.39014	11.1
709.40118	20.6
710.40393	4.1
751.41254	2.5
795.39343	1.7
839.41052	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	839.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
67.01746	1.5
69.03320	3.6
69.32552	11.1
71.01256	61.1
72.99182	29.6
73.02818	16.1
75.00739	4.8
83.01256	9.7
85.02825	38.1
87.00743	4.3
89.02318	15.2
95.01263	7.8
96.95877	2.2
97.02823	4.6
99.00746	7.7
101.01701	1.7
101.02324	24.3
102.49361	1.2
103.00249	7.1
111.00757	2.9
111.08028	1.4
113.02336	47.8
119.03388	3.1
124.01550	2.6
125.02385	7.0
129.01787	2.2
131.03392	3.4
133.01358	2.2
134.03656	1.9
143.03384	5.7
150.03043	2.6
159.02904	1.9
161.04488	5.9
165.05481	2.4
175.02414	2.0
193.03439	19.9
193.04979	3.3
213.18581	2.2
313.27512	1.0
325.20993	1.0
357.22690	2.0
372.50940	1.1
375.23831	2.5
390.42059	1.1
469.31500	4.1
487.32709	14.3
488.33221	2.3
505.33624	5.3
547.34723	1.2
587.85925	1.2
595.34613	2.0
613.35016	1.7
614.96423	1.2
631.37000	20.5
632.37225	2.8
649.38031	52.0
650.38531	7.1
655.37482	1.0
663.37646	2.3
667.38934	16.8
668.39679	2.3
691.38898	11.0
709.40216	19.1
710.40405	3.0
751.41107	1.7
839.40735	45.2
840.41089	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	839.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
69.03314	1.6
70.25821	2.9
70.26186	6.8
70.69634	1.7
71.01259	48.9
72.99177	4.7
73.02825	28.4
75.00745	3.2
83.01264	10.1
84.95937	1.4
85.02820	17.5
87.00736	4.4
89.02325	14.3
95.01257	4.3
96.95908	4.1
97.02829	4.7
99.00758	4.0
101.02332	36.5
113.02344	28.2
119.03387	6.3
124.01525	2.0
125.02318	6.5
131.03447	2.8
131.04472	1.6
142.85484	1.4
143.03409	5.1
149.04488	4.3
149.05939	1.6
161.04478	10.6
165.03958	2.8
249.06209	1.9
291.05954	2.2
487.32697	5.8
505.34006	4.3
514.39807	1.5
613.35889	2.0
631.37079	23.9
632.37769	3.0
647.35907	1.9
649.38043	39.7
650.38177	5.7
667.39307	12.3
691.39728	8.8
709.40186	14.8
751.41638	1.7
839.39728	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	839.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01563	1.5
69.03329	3.4
71.01261	51.0
71.45756	2.9
72.01604	1.2
72.99182	3.9
73.02821	14.0
75.00758	2.7
78.35537	1.0
79.30386	1.1
81.03358	1.8
82.43298	0.9
83.01269	10.6
85.02830	23.1
87.00778	6.5
89.02328	16.2
95.01279	7.0
97.02832	5.3
99.00776	6.5
101.02325	26.4
111.00755	3.3
111.08037	1.0
113.02339	29.4
119.03413	5.6
124.01559	1.2
125.02338	15.5
131.03387	1.2
143.03427	6.0
159.02945	0.9
161.04449	4.7
179.05545	1.2
203.96800	0.9
213.18533	4.9
343.28409	2.0
357.22842	2.3
375.23828	1.9
469.32022	1.5
487.32800	12.5
488.33249	1.5
505.33969	7.2
583.35187	1.3
595.34625	1.7
613.35889	2.4
631.37012	33.6
632.37579	5.9
649.38074	74.3
650.38574	10.0
667.39050	24.1
668.38898	2.7
689.02118	1.2
691.39221	12.1
692.38831	1.2
709.40137	25.2
710.40558	4.3
751.41144	2.0
795.39819	4.3
810.90759	1.1
839.41071	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	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
66.29709	0.4
69.03313	2.8
71.01254	5.3
73.02811	1.1
80.02565	0.5
83.01256	1.1
83.04898	1.0
85.02808	1.2
85.82066	0.4
87.00750	1.0
89.02314	3.7
95.01236	0.6
95.04867	0.5
96.95863	0.7
97.02835	5.8
97.06461	0.9
101.02324	5.2
109.06445	0.7
111.08039	9.2
113.02328	2.4
119.03374	1.3
119.08562	0.5
121.06430	0.4
125.02338	0.5
125.09599	1.9
127.07515	1.0
132.11594	0.5
134.90163	0.4
135.08142	0.4
137.09624	1.7
143.03403	0.8
145.04906	0.5
151.11150	0.7
151.98816	0.4
153.12750	0.9
161.04514	2.2
163.11171	1.7
165.12758	4.6
169.12283	4.1
171.10199	5.0
177.12701	0.6
179.05515	1.0
179.10681	0.7
179.14360	0.7
181.12259	1.9
183.13892	1.6
193.12280	0.9
193.15997	0.5
197.11780	41.2
198.12144	1.9
199.13403	2.6
207.10207	0.5
209.11769	2.9
211.13353	9.7
217.15906	0.6
221.11792	0.5
223.13307	1.5
227.12819	3.6
235.08200	2.5
239.12831	0.4
247.20670	3.8
251.16490	1.0
253.09273	21.1
254.09547	0.8
255.65509	0.4
263.20236	2.1
265.18042	1.3
273.18637	1.6
277.21759	1.7
291.19669	47.2
292.19965	4.0
293.21216	1.4
309.20709	100.0
310.21088	8.7
325.20303	0.7
335.64972	0.4
427.10733	0.5
466.31589	0.5
527.28680	0.5
545.29614	2.2
601.40936	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	837.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.7
64.18273	0.3
66.10030	0.4
69.03337	1.4
69.39357	3.8
71.01254	5.5
71.04881	0.4
73.02821	0.8
83.01262	0.8
83.04892	0.7
83.51096	0.4
85.02840	1.6
87.00782	0.9
89.02319	3.6
95.01244	0.7
95.04870	0.5
96.95881	0.7
97.02847	2.0
101.02319	4.7
109.06464	0.8
111.08041	10.9
112.08418	0.4
113.02322	2.4
114.00542	0.4
119.03365	1.0
125.09632	1.0
127.07567	1.0
134.46410	0.3
135.86684	0.4
137.09624	1.1
143.03430	0.5
144.89102	0.4
151.11183	0.8
153.12766	1.3
161.04456	2.4
163.11168	0.5
165.12737	1.2
167.10855	0.4
169.12277	4.7
171.10127	2.4
179.05550	0.6
179.10693	0.6
179.14391	0.6
181.12267	1.6
183.13779	1.0
185.11870	0.4
193.12277	1.0
197.11775	55.6
198.12094	2.7
199.13347	3.3
209.11815	1.2
211.13341	10.3
212.13684	0.5
227.12869	2.2
235.08174	2.9
247.20670	1.6
253.09264	25.1
254.09564	0.8
263.20163	4.1
265.18091	1.6
273.18579	2.1
277.21756	1.2
291.19666	31.9
292.20050	2.6
293.21143	0.4
309.20712	100.0
310.21088	9.1
433.20984	0.7
527.28833	0.6
534.89514	0.4
545.29602	1.8
546.30267	0.6
576.55548	0.5
601.41180	2.3
840.28735	0.4
864.74115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	3.0
59.01251	56.4
61.98708	6.9
69.03325	2.5
71.01254	61.4
72.99178	4.9
73.02823	12.6
81.03325	2.3
83.01260	7.8
85.02827	14.1
87.00743	17.5
89.02316	40.9
95.01276	4.8
96.95896	2.5
97.02819	6.3
98.19677	1.9
99.00769	2.8
101.02324	49.6
102.18677	0.9
111.00779	1.1
111.04414	1.1
113.02335	26.5
114.02706	1.1
119.03384	11.1
121.02856	1.1
125.02346	19.8
131.03374	6.6
133.04971	1.8
133.55348	0.9
139.03932	1.1
141.01826	1.4
143.03448	8.5
145.04987	1.4
145.68373	1.0
149.04488	1.0
159.59624	0.9
161.04465	17.0
179.05522	12.6
179.06979	1.3
203.05559	2.4
217.06940	1.0
221.06604	7.4
235.08197	6.9
245.06676	1.4
249.11177	1.4
253.09285	12.8
263.07730	2.1
277.21716	31.9
278.22156	2.1
287.07785	1.3
305.08926	2.4
309.20633	1.9
323.09799	4.7
330.43198	0.9
379.12357	1.5
383.11966	2.4
397.13464	56.0
398.13657	1.9
415.14542	23.1
416.14938	1.9
439.14188	1.0
485.15060	1.9
541.17621	1.1
559.18756	100.0
560.19141	8.3
577.19849	34.0
578.20215	3.6
675.36389	1.2
789.87701	1.1
837.41699	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	837.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37888	0.7
59.01262	1.0
62.02517	0.7
63.96122	2.1
69.03333	1.1
71.01260	9.9
73.02814	1.9
75.94090	0.8
78.98464	8.3
79.95606	18.0
80.96394	100.0
81.03323	1.0
85.02824	3.5
87.00747	2.8
88.60122	0.7
94.97966	21.1
95.01269	0.9
96.95893	1.7
97.02844	2.0
98.20500	1.4
99.00751	0.8
101.02333	3.2
106.97994	4.1
111.61799	0.8
122.97482	3.7
125.02330	1.9
134.97459	5.1
136.99028	1.6
141.61115	0.7
148.99043	8.5
152.98569	6.9
164.97266	1.3
164.98570	13.1
167.00085	1.0
168.68237	0.8
206.99655	2.2
225.00691	15.1
234.17030	0.8
277.21661	2.6
515.26324	0.7
559.25665	2.7
643.23578	0.8
837.48291	82.7
838.48529	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	837.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	65.6
71.01253	44.3
72.99196	10.7
75.00753	8.5
82.35770	7.4
85.02817	24.3
87.00764	11.0
89.02337	23.2
95.29265	7.3
96.95877	13.9
97.02852	6.9
98.20665	15.9
99.00806	9.5
101.02335	23.3
113.02331	17.5
125.02346	6.6
135.19131	6.7
139.36137	6.1
155.10542	7.6
161.04431	11.0
171.10210	33.0
183.13824	24.8
185.11725	15.5
193.05093	6.9
209.11795	11.5
211.13341	21.2
229.14587	6.2
233.11479	8.1
233.15506	16.6
239.16910	7.4
249.14902	16.8
329.23297	34.7
385.23676	10.7
397.13443	14.6
403.24814	19.3
415.14478	6.9
421.25821	7.5
545.33392	41.2
675.40826	22.8
691.28076	8.2
752.48163	8.1
783.38214	90.3
784.37976	14.2
793.38538	34.9
801.39447	82.8
802.39392	12.2
819.40363	25.3
837.37079	100.0
838.37616	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	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.2
59.01249	16.0
61.98702	1.8
62.81939	0.9
69.03321	3.3
71.01252	15.3
72.99158	1.4
73.02804	3.1
77.56439	0.8
78.95784	1.6
80.93883	0.8
81.03328	1.9
83.01254	3.3
83.04896	4.3
84.24641	0.8
84.87894	0.9
85.02814	4.3
87.00755	2.7
89.02314	8.2
95.01237	1.2
95.04906	2.0
96.95919	1.4
96.96807	0.8
97.02831	3.1
97.06458	6.6
101.02322	10.1
109.06467	3.3
111.08042	17.2
113.02338	6.1
116.92777	1.2
119.03373	2.7
123.04393	3.7
123.07976	1.3
125.02318	1.2
125.09615	6.8
127.07522	2.1
135.08034	2.0
137.09619	3.1
141.12796	1.4
151.11188	4.5
153.12799	1.0
155.10715	1.1
161.04495	4.9
163.11259	7.3
165.12766	5.2
167.10677	1.2
169.12257	8.1
171.10187	2.2
177.12773	2.1
179.05542	2.0
179.10699	2.7
181.12248	5.3
183.13831	2.6
185.11729	6.0
191.10635	1.7
191.14345	8.3
193.12317	1.3
197.11769	81.5
198.12111	3.5
199.09682	1.5
199.13293	4.6
207.10164	3.7
209.11771	26.1
210.12114	1.3
211.13361	14.5
225.11276	3.5
227.12866	6.6
235.08177	4.6
237.11320	5.3
245.19073	17.8
247.16936	1.4
253.09268	33.0
263.20132	15.8
265.18045	1.6
271.16956	2.2
273.18530	2.7
277.21738	9.3
278.22061	1.4
279.23288	10.2
289.18097	82.5
290.18405	6.9
291.19666	35.3
292.19858	2.1
293.21280	1.0
307.19159	84.5
308.19473	8.1
309.20706	100.0
310.20975	8.5
350.13226	1.0
397.13620	1.1
445.20694	4.1
525.27167	2.0
541.26215	1.0
543.28253	3.4
545.29797	1.0
581.38574	1.1
623.17786	1.2
737.40668	1.5
835.48743	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	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.7
61.98700	2.8
69.03309	4.0
69.47395	3.5
69.47800	9.7
71.01254	11.8
73.02815	1.9
75.00730	1.3
78.38706	1.1
78.95792	1.4
81.03318	3.6
83.01272	3.2
83.04897	2.9
85.02805	4.5
85.49948	1.3
87.00742	3.5
89.02319	7.7
95.04896	2.6
97.02831	8.7
97.06459	8.0
98.19877	2.0
99.00762	2.1
101.02328	13.4
109.06458	2.0
111.00760	1.7
111.04394	1.8
111.08045	7.0
113.02320	5.3
115.07423	1.5
119.03403	2.7
119.08580	1.4
121.06480	2.2
123.04375	2.8
123.08070	2.7
125.09601	7.8
131.04436	1.4
135.08005	1.5
137.09570	6.4
141.09039	1.4
142.02577	2.1
144.27090	1.4
147.80823	1.3
153.09079	1.4
153.12759	1.4
161.04448	4.4
161.29718	1.3
163.11201	11.5
165.12785	10.7
169.12204	3.6
171.10229	7.5
175.11192	1.5
177.12755	3.6
181.12201	2.6
182.92473	1.4
183.13821	1.7
183.56763	1.4
185.11728	9.3
191.10678	1.9
191.14363	8.7
193.12228	2.1
197.11765	35.9
199.13257	2.3
207.10320	6.7
209.11766	25.0
211.13304	11.2
225.11247	4.6
227.12804	5.5
235.08150	6.1
237.11266	9.7
245.19092	18.8
247.20738	3.6
249.14961	1.3
253.06702	2.4
253.09259	35.5
263.20084	6.4
265.18134	2.4
271.17111	3.9
273.18649	2.8
277.21701	12.2
279.23267	9.3
289.18103	100.0
290.18359	7.7
291.19684	59.2
292.19946	4.4
293.21130	1.6
307.19138	89.8
308.19537	6.9
309.20712	95.0
310.20999	4.9
325.20230	1.9
391.67749	1.5
480.15454	1.4
525.27271	2.1
527.28571	1.6
543.27997	2.0
683.40424	1.6
835.50146	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	1.0
58.06821	0.7
59.01256	34.5
61.98716	1.2
68.99706	1.3
69.03349	1.1
71.01254	18.9
72.99207	1.9
73.02840	3.6
75.00764	7.1
81.03349	0.7
83.01254	3.6
84.02052	0.7
85.02829	11.5
87.00784	3.2
89.02323	13.2
95.01280	1.8
97.02850	2.4
99.00769	2.1
101.02325	10.3
105.15764	0.8
111.00767	2.0
111.08103	1.7
113.02335	9.9
116.92753	1.3
119.03397	2.1
125.02371	3.2
143.03462	1.3
152.31404	0.7
161.04538	1.8
165.12746	11.7
166.13145	0.9
183.13837	100.0
184.14211	5.2
209.11749	1.4
221.06633	2.5
227.12834	7.8
228.13336	0.9
235.08296	1.5
397.13315	3.5
415.14694	0.9
455.35333	1.7
497.35928	1.0
539.59955	0.8
569.38562	7.7
570.38483	1.0
607.25842	1.8
613.37354	1.5
625.26611	3.1
631.38556	2.2
673.39972	1.3
760.67255	0.9
791.40515	5.2
792.40778	1.1
793.43402	1.1
817.38660	2.7
835.39838	77.3
836.40045	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	835.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.5
61.36134	0.7
61.98697	1.3
65.83273	0.8
68.99696	2.1
69.03307	0.8
69.94515	2.2
69.94909	1.8
71.01260	7.7
72.99176	3.1
73.02812	2.1
75.00750	36.9
83.01263	2.6
84.02071	0.9
85.02824	28.8
87.00756	2.4
89.02312	1.7
95.01248	3.6
96.95884	1.3
98.20467	1.3
99.00735	3.4
101.02325	1.6
111.00758	1.9
113.02335	11.3
115.00237	1.5
115.55522	0.9
116.00948	1.0
116.92741	1.3
117.01799	1.2
129.01848	1.6
157.01375	1.9
162.94417	0.8
175.02345	1.2
201.43304	0.9
209.11765	1.9
211.13313	2.2
218.65878	0.7
302.45627	0.8
397.13611	1.1
455.35284	7.4
497.36395	2.7
569.38574	15.1
570.38824	2.6
587.36279	2.0
613.37250	2.5
631.38623	22.2
632.39313	4.3
673.39502	8.0
674.40186	1.5
775.42542	1.6
793.43817	2.1
835.44910	100.0
836.45172	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	831.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.3
61.98700	0.3
63.96108	0.3
71.01257	2.7
71.57242	0.5
73.02784	0.5
78.95778	50.0
78.98459	1.5
79.95608	5.6
80.96392	18.5
85.02834	1.0
87.00735	0.6
89.22083	0.3
92.92683	1.4
94.97964	3.8
96.95900	0.5
96.96844	10.7
97.02793	0.3
101.02325	0.5
106.97966	0.7
116.97113	0.8
121.16513	0.3
122.97451	0.9
124.09807	0.3
125.02369	0.7
134.97469	1.5
134.98433	0.7
136.98994	0.4
141.01624	1.5
148.99060	1.4
152.98524	1.1
152.99522	13.2
164.98555	2.7
198.97578	0.3
206.99565	0.8
223.00105	5.1
224.00488	0.3
224.98622	0.6
225.00706	5.4
241.01166	20.8
242.01566	0.4
249.15735	0.3
255.23279	34.8
256.21240	0.4
256.23538	2.2
256.93500	0.6
259.02231	1.6
275.20154	0.4
277.21719	22.2
278.22058	1.7
280.97961	0.4
283.04980	0.5
297.03708	1.7
304.42279	0.3
305.02484	0.5
311.11301	0.3
315.04974	0.6
315.97501	0.4
338.93600	1.0
341.05573	0.5
355.06967	0.4
391.22470	6.6
392.23251	0.5
409.23590	0.7
413.20947	0.9
537.27765	0.5
553.27722	4.8
554.28210	0.7
571.29150	0.9
575.25873	1.4
693.39197	0.4
721.15027	0.4
831.49847	100.0
832.50098	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	835.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	41.5
61.98696	1.5
69.03310	2.1
71.01252	22.1
72.99152	1.2
73.02802	2.8
75.00745	8.4
75.30035	1.2
83.01233	4.5
85.02824	15.5
87.00729	2.4
89.02321	13.9
89.15774	1.0
90.20032	1.1
94.89812	1.1
95.01229	3.6
97.02802	2.3
99.00703	3.4
101.02322	13.4
105.65453	1.0
111.00707	2.7
111.08014	1.5
113.02324	10.0
119.03342	2.8
125.02330	2.5
152.19023	1.2
161.04358	2.0
165.12799	10.3
183.13832	100.0
184.14145	5.1
191.48538	1.0
209.11670	1.9
221.06552	2.2
227.12831	7.7
235.08076	1.2
397.13129	2.5
455.34961	2.2
497.36166	2.1
569.31378	1.3
569.38501	13.4
570.38550	1.4
613.36908	2.0
625.26971	2.0
673.39459	1.9
791.40082	5.7
792.39929	1.5
817.39099	1.6
835.40027	77.8
836.39948	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	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96104	2.4
64.55196	0.8
71.01251	9.2
71.82612	0.8
73.02806	2.3
78.98466	7.9
79.95605	38.4
80.56912	0.9
80.96391	100.0
81.03323	1.0
85.02810	2.7
87.00744	3.4
94.97958	24.0
96.95892	2.2
97.02805	2.8
99.00734	1.1
101.02324	2.9
106.97948	3.6
113.02322	1.3
117.76545	1.0
122.97466	5.7
125.02351	4.7
126.61892	0.9
134.97495	8.3
136.99002	1.2
148.99046	9.5
152.98558	7.8
160.45518	0.9
164.98544	15.3
179.00072	1.1
180.33153	1.0
206.99609	3.7
225.00705	30.7
255.23294	2.0
256.79727	1.0
256.82639	0.9
266.72638	1.3
283.04874	1.9
341.05313	1.9
355.06714	1.2
360.68524	0.9
537.27441	2.1
575.25000	1.6
831.49329	78.3
832.49536	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	831.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	2.5
69.99886	5.2
71.01252	9.8
71.75621	0.8
73.02811	1.5
75.56348	0.8
78.98460	6.9
79.95608	31.7
80.70679	0.7
80.96392	96.2
85.02825	3.8
87.00772	2.9
94.97965	18.2
96.95890	2.1
97.02829	1.6
101.02325	2.8
106.97963	2.9
111.69574	0.8
122.97460	4.0
125.02341	3.3
134.97493	5.0
136.98994	1.2
148.99052	7.0
152.98552	7.5
156.92480	0.9
164.98555	14.0
186.96317	1.0
206.99527	4.3
225.00700	20.7
237.71086	0.8
255.23239	1.3
263.81461	1.0
283.04993	2.0
340.94235	1.0
341.05093	1.6
537.27612	2.3
548.05133	1.0
575.25012	1.7
609.29913	1.1
831.49341	100.0
832.49725	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	831.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83987	0.9
58.77494	0.9
61.72898	0.9
62.02816	0.8
63.96114	1.4
70.32516	4.0
71.01257	9.5
73.02804	1.8
78.98466	5.2
79.95170	1.8
79.95606	25.7
80.96393	75.8
85.02817	2.5
87.00738	3.7
94.97968	18.3
96.95884	2.4
97.02834	1.7
99.00785	1.2
101.02322	2.5
106.97960	4.4
122.97453	3.4
125.02312	2.7
134.56927	0.9
134.97491	5.2
136.98990	1.5
148.99042	7.1
152.98553	5.6
161.04472	1.1
164.98541	12.8
183.58815	1.1
206.99593	4.2
225.00705	23.4
255.23232	3.1
277.84753	1.1
283.04916	1.7
292.18152	1.0
308.91937	0.9
341.05267	1.8
359.47055	1.0
413.01117	1.1
477.32422	1.1
537.27423	1.7
609.29443	1.9
630.24506	1.1
655.00830	1.0
831.49384	100.0
832.49542	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	831.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.5
68.23367	1.2
71.01253	14.1
71.34443	1.8
71.34764	1.4
72.99187	3.9
75.00759	3.4
83.01268	1.9
83.04902	1.7
85.02831	4.3
87.00753	8.9
89.02309	4.9
91.19270	1.2
96.95906	2.3
99.00763	4.5
101.02335	4.2
111.08063	1.7
112.98665	1.3
113.02326	3.9
115.00269	10.0
121.02827	1.6
123.86758	1.1
135.02870	3.7
139.00237	2.0
141.01357	1.2
142.99754	8.0
146.05956	1.1
156.00568	1.2
164.87813	1.2
165.12776	9.1
171.10149	1.8
173.00806	3.4
174.01605	15.2
175.02386	14.4
175.22318	1.3
176.61641	1.3
181.24374	1.1
183.13829	92.2
184.14148	5.7
193.12267	1.4
195.13756	1.9
202.01437	1.1
209.11832	2.9
211.13344	49.2
212.13626	2.9
223.13409	4.1
227.12837	3.8
235.08238	1.9
241.00998	1.7
253.09277	4.6
261.11188	2.2
265.70367	1.2
293.58496	1.6
294.60260	1.2
463.22018	2.2
465.89175	1.5
471.05573	1.4
602.87555	1.4
657.34924	100.0
658.35236	17.0
713.34235	7.0
714.34906	1.5
729.71716	1.4
731.35388	2.1
753.33337	3.2
754.34949	1.8
793.44482	2.1
813.35547	16.9
814.36279	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	831.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.0
61.98703	5.4
70.47739	2.4
71.01260	4.1
75.00762	1.2
78.93164	1.0
78.95789	1.9
89.02334	2.7
97.02853	1.6
101.02360	1.9
111.08074	2.0
113.02328	1.9
121.36709	1.1
149.90793	1.0
161.04501	1.7
170.14899	1.0
171.10236	3.7
183.13849	7.1
193.12198	2.2
197.11771	9.6
211.13338	100.0
212.13670	5.9
227.12860	2.0
235.08232	3.9
253.09300	7.5
273.18610	1.4
291.19672	15.5
309.20743	33.3
310.20990	1.8
311.05270	1.2
342.89642	1.1
447.22308	8.9
503.33759	1.9
831.49860	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	831.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	10.8
69.68628	5.1
69.69039	6.6
71.01253	5.6
85.02822	2.2
93.03322	3.6
93.31223	1.7
121.02841	4.9
122.03632	13.9
136.01535	2.9
136.86879	2.3
137.02336	2.5
149.02348	32.0
150.03140	94.1
164.04684	6.6
165.01813	3.0
165.05493	100.0
166.05835	2.2
175.03923	2.2
177.05510	3.5
180.04205	9.6
195.06573	62.6
196.06992	2.9
267.06876	3.3
268.07391	2.5
283.09683	2.0
296.06833	3.3
301.06995	2.1
308.06912	2.7
308.10471	2.5
323.09213	3.3
324.09970	3.2
325.10840	2.0
325.56598	1.8
326.11642	3.8
327.08633	7.4
339.08621	12.0
339.12225	3.8
341.13922	2.9
342.10962	6.7
354.11093	5.8
357.13452	29.6
369.13409	36.0
370.13654	2.5
387.13995	2.1
505.18744	5.3
517.18420	3.2
535.12122	3.6
535.19714	46.2
536.20087	5.1
553.20703	3.1
583.21857	37.9
584.22290	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	831.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.3
61.48093	1.8
71.01263	2.6
71.57846	3.4
85.02826	3.3
85.46584	1.6
90.19181	1.7
93.03353	4.4
95.01276	1.9
96.95907	1.6
103.76675	1.7
110.03964	1.7
113.02304	1.8
114.97924	1.5
118.63947	1.7
119.04947	2.0
121.02841	7.7
122.03613	14.7
133.02940	2.1
137.02367	2.4
149.02342	33.9
150.03134	98.8
151.03606	4.3
160.01653	2.2
164.04691	7.3
165.01830	3.4
165.05489	100.0
166.05820	2.1
177.05515	2.8
180.04163	8.0
195.04791	4.0
195.06572	79.0
196.06903	3.4
276.79102	2.0
295.05911	2.3
301.07272	2.6
308.06940	2.4
308.10275	1.9
311.09277	2.9
312.06482	2.3
322.08575	2.2
323.09238	5.2
324.10068	3.4
325.10715	3.2
326.11542	5.9
327.08728	8.0
339.08801	11.9
339.12415	2.9
341.14224	2.3
342.11197	6.8
354.11084	7.5
357.13446	25.3
369.13428	47.2
505.18683	4.9
517.18744	2.5
535.19684	58.3
536.20392	4.3
553.21021	1.9
583.21832	41.9
584.22180	5.4
608.81958	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	831.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.2
69.31568	21.5
69.31980	5.3
71.01257	8.7
83.01290	2.4
85.02861	2.9
87.00758	2.7
93.03362	6.5
96.95891	3.0
101.02348	3.9
107.18404	2.9
113.02283	2.9
121.02835	13.1
122.03633	14.7
134.03639	3.5
135.04449	7.2
136.01604	18.7
137.02344	5.6
149.02356	34.4
150.03137	100.0
151.00320	5.0
151.03966	27.2
162.03107	3.7
164.04692	6.1
165.05507	87.5
166.02605	21.1
166.05800	3.5
167.03426	3.4
175.03926	6.4
177.01924	3.7
177.05515	3.8
180.04236	6.9
181.05029	17.0
190.06268	5.4
195.06590	64.7
205.05067	3.3
221.08217	2.9
222.12665	2.6
223.74368	2.7
284.03232	3.0
306.30957	2.6
307.39606	2.5
344.93665	3.2
356.12289	2.8
357.09711	3.5
357.13760	12.6
369.41995	2.6
372.12122	2.9
380.52130	2.8
387.14600	50.3
388.14972	4.3
453.98584	3.0
474.24191	2.8
501.19666	3.1
505.18369	3.4
535.19727	63.3
536.19885	3.8
583.22064	31.0
584.21564	3.1
603.17139	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	831.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.2
69.31568	21.5
69.31980	5.3
71.01257	8.7
83.01290	2.4
85.02861	2.9
87.00758	2.7
93.03362	6.5
96.95891	3.0
101.02348	3.9
107.18404	2.9
113.02283	2.9
121.02835	13.1
122.03633	14.7
134.03639	3.5
135.04449	7.2
136.01604	18.7
137.02344	5.6
149.02356	34.4
150.03137	100.0
151.00320	5.0
151.03966	27.2
162.03107	3.7
164.04692	6.1
165.05507	87.5
166.02605	21.1
166.05800	3.5
167.03426	3.4
175.03926	6.4
177.01924	3.7
177.05515	3.8
180.04236	6.9
181.05029	17.0
190.06268	5.4
195.06590	64.7
205.05067	3.3
221.08217	2.9
222.12665	2.6
223.74368	2.7
284.03232	3.0
306.30957	2.6
307.39606	2.5
344.93665	3.2
356.12289	2.8
357.09711	3.5
357.13760	12.6
369.41995	2.6
372.12122	2.9
380.52130	2.8
387.14600	50.3
388.14972	4.3
453.98584	3.0
474.24191	2.8
501.19666	3.1
505.18369	3.4
535.19727	63.3
536.19885	3.8
583.22064	31.0
584.21564	3.1
603.17139	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	829.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.7
58.75483	0.2
59.01253	18.6
63.89077	0.2
67.01766	0.3
68.99693	0.2
69.03337	1.3
70.05208	0.3
70.05621	0.8
71.01255	17.5
72.01566	0.2
72.99177	1.5
73.02822	3.3
75.00764	0.5
81.03327	1.4
83.01263	1.9
83.04927	0.2
85.02825	4.2
87.00751	5.3
87.04363	0.2
89.02319	13.9
91.03872	0.3
91.22134	0.2
95.01276	1.3
97.02837	3.3
99.00774	1.2
99.04420	0.3
101.02324	13.3
103.00243	0.4
109.02857	0.3
111.00768	0.3
111.04404	0.8
113.02329	7.8
115.03931	0.4
119.03400	3.1
121.02782	0.3
123.04394	0.3
124.01550	0.4
125.02338	7.6
125.09616	1.3
127.11179	2.3
131.03394	0.7
133.04933	0.6
139.03894	0.6
141.01799	0.3
143.03400	3.0
145.04935	0.4
149.04482	0.3
153.09123	0.8
159.58336	0.2
161.04477	3.8
167.03410	0.5
171.10182	100.0
172.10506	3.5
179.03366	0.2
179.03995	0.3
179.05524	3.3
183.16615	0.2
185.11755	0.3
199.06090	0.8
203.05602	0.3
213.11243	0.9
217.07149	1.0
219.05118	0.3
221.06601	1.3
233.22656	0.2
235.08195	5.3
236.08572	0.3
245.06660	0.4
253.09236	0.8
259.08350	0.7
259.20734	0.2
263.07697	0.3
277.21716	55.6
278.22040	4.1
287.07681	1.8
291.23358	0.4
301.09195	0.3
305.08768	1.7
323.09848	0.8
361.11526	0.4
379.12460	7.2
380.12888	0.4
397.13495	31.4
398.13989	2.1
415.14569	7.6
416.15131	0.4
551.23450	0.7
569.24243	0.8
675.36334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.8
59.01253	16.8
61.98686	0.2
67.01765	0.2
68.99675	0.3
69.03325	1.3
70.88348	0.6
71.01255	17.8
72.99184	1.6
73.02819	2.9
74.75836	0.2
75.00752	0.2
78.95784	0.4
80.00191	0.2
81.03323	1.1
83.01256	2.1
83.04893	0.4
85.02826	4.9
85.99945	0.3
86.03218	0.2
87.00748	5.5
88.98707	0.3
89.02317	12.9
90.02663	0.2
91.03902	0.2
95.01254	1.7
97.02824	2.8
99.00761	1.1
99.04402	0.3
101.02325	14.3
109.02842	0.4
111.04395	0.7
112.01574	0.2
113.02333	7.8
114.02627	0.2
115.03877	0.3
119.03389	3.6
124.01556	0.5
125.02337	7.2
125.09590	1.0
127.11200	2.3
131.03409	0.9
133.04973	0.7
139.03911	0.8
141.01796	0.3
143.03418	3.0
149.04517	0.4
153.09140	0.7
161.04466	3.8
167.03406	0.4
171.10184	100.0
172.10527	4.1
174.07541	0.2
179.03300	0.3
179.03987	0.3
179.05527	3.3
199.06100	0.6
203.05574	0.3
209.04460	0.2
213.11314	0.3
217.07129	1.1
219.05103	0.2
221.06577	1.4
233.22453	0.3
235.08191	6.6
236.08630	0.3
238.26009	0.2
245.06561	0.6
253.09192	1.3
259.08264	0.5
263.07861	0.5
277.21719	65.1
278.22067	5.1
279.45581	0.2
286.78784	0.2
287.07617	2.2
291.23166	0.5
305.08768	2.2
319.22879	0.3
322.62036	0.2
323.09705	1.1
361.11353	0.3
379.12436	8.2
380.12686	0.3
397.13492	37.2
398.13757	2.3
415.14517	7.9
416.14810	0.4
429.44403	0.2
452.91446	0.2
551.23486	0.8
569.24689	0.4
675.35461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83740	0.9
59.01244	3.6
61.98705	1.3
65.38976	0.9
71.01247	3.5
71.12894	1.9
78.44895	1.1
83.04886	2.4
84.04426	4.3
85.02839	1.5
85.56496	0.9
89.02264	1.0
95.94496	1.0
96.95911	1.1
99.47414	1.0
101.02332	5.0
102.05489	66.5
103.05765	1.4
113.02324	2.7
116.92763	1.7
119.03290	1.1
141.79059	1.0
148.11253	1.1
161.04329	0.9
163.11194	1.7
164.10715	1.6
209.11778	73.1
210.12071	4.6
227.12856	16.9
235.08206	7.4
239.82825	1.1
253.09230	8.0
268.15594	1.4
277.21738	100.0
278.22040	9.2
309.20911	1.3
326.54129	1.0
357.47723	0.9
445.20618	2.4
487.89899	1.0
487.96765	1.1
513.30505	3.0
532.34698	1.2
782.46417	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	829.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.1
68.99697	1.4
69.34627	3.4
69.35052	6.4
71.01250	7.8
72.99183	3.4
73.02836	1.0
74.04556	0.9
75.00750	44.9
75.81301	1.0
76.01096	1.0
85.02347	1.6
85.02827	22.7
87.00740	2.5
89.02335	1.6
95.01261	2.8
96.95895	5.2
98.20541	1.9
99.00770	2.4
101.02315	1.7
112.01583	0.9
113.02328	10.4
115.00262	1.3
117.01833	1.2
117.03373	5.4
119.04925	9.3
123.22034	0.9
126.20897	0.9
145.02869	34.3
146.03229	1.5
157.01337	1.3
163.03972	7.5
174.01698	1.0
175.02304	1.3
209.11639	1.3
269.21347	1.3
287.22336	3.0
431.26514	1.2
433.25983	13.6
434.26456	1.4
455.35126	3.7
497.36771	1.1
538.18738	1.2
557.09277	1.1
569.38739	8.5
570.38812	1.4
631.38574	9.7
632.38788	1.9
637.32416	8.2
638.32141	1.9
785.36163	6.8
786.37451	1.3
793.43768	100.0
794.44165	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	826.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.4
61.95576	0.4
61.98705	100.0
63.86269	0.4
70.86764	0.8
71.01259	7.3
72.99189	0.5
73.02824	0.8
75.00749	4.3
83.01277	0.9
85.02829	4.4
89.02323	2.1
95.01292	0.8
96.95888	0.6
99.00751	4.0
105.94544	0.4
113.02340	3.0
154.29878	0.4
157.01404	0.7
334.07562	0.4
453.34375	0.9
455.35358	2.8
456.35516	0.6
523.38635	0.5
569.38672	2.8
613.37628	1.5
763.42712	44.8
764.29858	0.4
764.43042	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	825.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.8
61.94117	0.8
61.98682	2.0
68.99689	5.6
69.03323	1.1
71.01257	36.6
71.58668	1.3
72.01588	0.9
72.99175	5.6
73.02832	3.6
73.78035	0.9
75.00741	6.5
78.95769	5.4
83.01255	3.7
85.02825	28.6
87.00764	8.3
89.02310	8.9
95.01256	5.5
96.95910	5.0
99.00763	22.1
101.02319	10.5
112.01513	1.3
113.02337	26.2
115.00311	1.0
116.92737	2.6
119.03421	2.4
125.02258	1.0
131.03415	1.8
139.00262	1.4
157.01328	2.7
161.04518	2.1
163.75366	0.9
179.05463	1.0
425.34222	2.5
469.33438	2.1
487.33908	1.2
578.30518	1.3
635.39160	1.5
652.59711	1.0
695.12189	1.0
781.47913	1.8
807.27246	1.1
825.42810	100.0
826.28558	1.9
826.43121	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	825.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.0
59.01256	32.3
61.61007	0.8
61.98705	1.7
63.53379	0.9
67.01750	0.8
68.99686	5.0
69.03313	2.3
71.01259	39.0
72.99181	11.2
73.02824	11.6
75.00754	15.4
83.01260	8.8
85.02831	19.3
86.03130	0.9
87.00758	8.2
89.02322	15.9
94.17413	0.9
95.01263	7.0
96.95875	2.5
97.02833	0.9
98.19773	2.1
99.00767	22.9
101.02330	34.7
103.00201	1.4
106.64248	0.8
111.00764	3.3
112.01537	1.5
113.01624	1.5
113.02345	19.6
119.03404	5.7
125.02335	1.4
128.03416	0.8
129.01846	1.4
131.03316	1.0
139.00201	1.8
141.01602	1.1
145.01274	3.3
148.58488	0.8
157.01349	2.4
159.02921	8.4
161.04427	2.7
163.02399	9.4
165.03983	9.7
166.61124	0.9
179.05525	3.4
191.01938	6.4
193.03436	2.6
205.15924	1.9
229.81117	1.1
233.11557	2.3
275.20071	3.1
279.19662	1.9
299.14914	0.9
335.06171	0.9
365.19580	1.2
367.21320	7.5
441.34424	1.1
463.18143	1.5
477.19226	1.5
489.19733	1.2
491.21078	1.6
510.81497	0.9
529.22742	5.8
530.22992	1.4
531.24725	6.9
544.25458	2.4
545.26080	13.1
546.26971	1.2
576.24365	6.1
578.25885	3.3
590.24524	1.1
627.35876	1.2
627.99207	0.9
635.39728	2.2
645.36243	1.0
777.40753	1.0
791.42340	1.4
792.43207	2.5
793.40594	2.1
807.41620	2.0
808.28589	2.7
825.42834	100.0
826.29022	1.9
826.43030	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	825.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	1.3
59.01252	21.0
62.35497	0.9
68.99677	1.5
71.00890	1.6
71.01260	22.2
71.34924	1.5
72.99167	3.5
73.02820	1.9
75.00747	10.7
83.01243	2.7
85.02826	15.3
86.03114	0.9
86.83688	0.9
87.00751	4.2
89.02323	6.4
95.01274	4.3
96.95876	4.1
99.00753	16.3
101.02331	8.3
113.02333	13.6
117.03355	2.4
119.03372	1.9
119.04876	1.8
127.24137	0.8
127.61825	0.9
134.03635	2.9
134.05989	1.8
145.02852	5.5
149.02399	1.6
149.06059	1.2
150.03110	3.9
151.00198	1.1
151.86597	0.9
157.01302	1.3
160.01581	1.4
165.05457	3.8
179.05492	0.9
193.05045	4.7
195.06671	1.8
227.03496	4.8
255.02965	11.5
256.03528	1.0
259.25528	0.9
284.03305	12.8
285.03702	2.8
286.95496	1.2
341.09979	1.1
389.12219	1.8
485.32526	1.1
487.34192	3.4
488.34656	1.0
529.35333	1.2
569.34998	1.4
601.37683	2.3
635.15918	2.0
645.36737	2.3
663.22992	1.3
715.26929	1.2
781.19769	4.0
782.20575	1.1
825.42816	100.0
826.43042	20.1
826.55182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.6
59.01254	100.0
61.98710	2.3
66.40379	0.8
68.99686	1.1
69.03339	1.4
71.01254	30.0
71.58186	1.8
72.99184	2.8
73.02828	7.9
75.00761	1.5
83.01254	5.2
85.02826	17.8
86.00000	2.0
87.00757	4.0
89.02319	7.3
95.01280	4.4
96.95888	3.1
97.02850	3.6
99.00748	4.4
101.02321	14.5
111.00769	2.0
113.02332	18.8
119.03403	2.1
124.01575	2.3
125.02334	9.8
143.03375	3.8
159.02924	1.6
161.04482	4.7
209.11588	1.0
211.13422	1.1
233.11615	1.1
252.30403	1.1
283.26505	1.3
329.30634	1.5
396.59363	1.0
419.31888	1.4
473.35013	4.4
491.36221	4.7
581.37244	1.0
599.38257	1.8
617.39166	23.1
618.39423	3.6
635.40131	54.4
636.40387	8.2
645.35107	1.1
653.41180	15.1
654.41241	3.1
677.41229	11.1
678.41888	2.3
695.42114	14.8
696.42816	3.1
737.43103	1.6
825.43402	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01615	2.4
62.73848	1.3
68.99701	3.2
71.01257	40.0
71.57744	2.3
72.85772	1.3
72.99184	3.4
73.02821	8.7
75.00745	5.0
78.95773	3.9
83.01261	3.2
85.02825	27.9
87.00790	7.1
89.02316	10.9
95.01262	6.4
96.95908	7.7
97.02855	3.5
99.00751	13.5
101.02333	16.8
112.01557	1.4
113.02338	26.2
116.92764	4.5
119.03391	3.7
124.01563	3.7
125.02379	10.3
143.03412	6.5
146.41760	1.4
161.04453	3.4
174.46207	1.5
190.02701	1.4
211.13326	2.1
292.52542	1.5
325.01334	1.5
329.30661	2.0
473.35083	7.5
491.35651	3.8
504.57571	1.6
581.37073	1.8
617.39001	22.7
618.39648	1.7
635.40131	50.4
636.40466	6.9
653.41058	15.0
654.41724	2.6
672.63562	1.6
677.41321	11.6
678.41956	3.3
695.42157	17.1
696.42981	2.7
716.30621	1.8
728.53485	1.5
781.48987	2.8
825.42676	45.7
826.43140	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	825.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01601	2.1
61.98700	2.5
65.07007	1.7
71.00888	3.1
71.01255	36.9
71.58551	2.2
72.99174	5.3
73.02820	7.7
75.00763	3.6
79.95615	2.6
83.01277	7.0
85.02821	24.5
87.00746	4.8
88.98696	2.1
89.02304	10.0
95.01264	5.6
96.95898	72.5
97.02823	4.2
99.00754	7.6
101.02329	16.7
110.17879	1.7
113.02333	27.6
119.03406	2.9
124.01578	4.0
125.02347	13.6
125.09486	1.9
133.01346	2.7
133.04944	7.1
143.03412	5.2
160.90492	1.9
161.04475	3.9
171.10133	2.0
176.65565	1.9
209.11684	2.0
233.11485	2.1
283.26505	2.1
285.12442	1.9
327.21713	2.1
356.35040	1.8
471.34528	4.1
473.34848	11.4
491.35892	10.0
599.38080	3.4
617.39075	21.4
618.39490	4.6
635.40131	50.3
636.40289	5.4
651.24377	3.9
653.41101	17.8
654.41827	2.4
677.41235	14.2
678.41193	2.0
695.42029	17.9
696.42548	4.0
737.43701	2.3
825.42285	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	825.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.5
59.01252	100.0
66.14315	1.7
71.01254	48.1
71.57606	2.7
72.99184	6.7
73.02814	9.6
75.00739	6.1
83.01273	6.5
85.02828	21.6
87.00758	5.4
89.02322	9.3
95.01281	6.5
96.95888	14.6
97.02849	5.1
99.00751	8.2
101.02321	17.9
108.73635	1.8
111.00784	2.4
112.01566	1.8
113.02341	26.1
116.92750	2.8
119.03392	4.9
124.01566	4.3
125.01582	1.8
125.02330	10.9
131.03455	2.1
139.72427	1.6
143.03418	5.4
161.04482	6.0
174.01572	2.2
209.11742	2.6
283.26337	2.3
375.97678	1.9
473.34698	10.2
491.35834	5.5
581.36310	3.4
594.81396	2.2
617.39008	20.4
618.38593	3.1
635.40167	47.7
636.40424	6.6
651.35480	2.1
653.40765	16.5
654.41681	2.9
663.37408	4.8
677.41180	13.0
678.41736	3.2
695.42212	16.9
696.42291	3.2
784.31677	2.0
825.42810	15.8
826.42090	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	823.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.1
67.46940	1.5
69.41945	1.6
69.56728	11.8
71.01247	4.1
73.02814	1.9
75.00741	2.7
78.66482	1.8
78.95752	1.5
79.95605	2.6
80.83878	1.6
81.03337	13.4
83.04903	27.9
85.02821	3.1
85.44582	1.5
87.00757	2.2
96.95895	100.0
99.00786	2.1
100.07591	2.9
101.02309	2.0
111.26414	1.5
113.02333	3.8
113.03522	1.6
131.04514	2.0
150.03088	2.6
165.05396	3.3
199.18027	5.1
225.16023	5.4
243.17120	13.1
284.03329	2.6
309.21722	1.7
319.29135	1.6
353.20883	2.6
469.34018	7.4
489.27438	1.8
695.51117	2.6
810.62744	1.7
823.41968	2.3
823.55505	66.9
824.55676	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	824.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.2
69.03340	2.0
71.01237	1.7
78.95773	8.0
80.00168	1.0
81.03313	5.1
83.01260	9.3
83.04882	3.9
86.19891	1.2
86.87615	1.0
95.01248	1.2
95.04897	3.2
96.95889	1.1
97.02824	3.8
97.06460	6.1
98.20559	2.9
106.04131	1.6
109.06481	2.2
119.08573	1.1
121.06482	2.4
123.04417	6.9
123.08018	1.9
124.83228	1.3
125.05984	1.4
125.08752	1.1
125.09613	17.3
131.30353	1.0
135.08015	2.9
137.09651	5.8
141.12726	2.0
142.02606	1.5
147.81862	1.0
149.05954	2.1
152.99509	1.1
163.07581	1.5
163.11198	12.3
164.11597	1.0
165.09048	1.1
165.12732	4.3
167.10736	1.9
167.69592	1.0
168.04146	1.3
171.10281	1.5
177.12814	1.5
181.12236	3.1
185.11743	14.7
191.10681	4.5
191.14365	16.0
196.34544	0.9
197.11679	1.1
207.10225	7.8
209.11775	74.5
210.12109	3.3
211.13412	1.2
217.15895	1.9
225.11313	6.6
226.11832	1.2
242.07901	3.2
245.19083	30.0
246.19342	1.5
263.20062	3.1
271.17001	3.4
277.21725	94.6
278.22095	6.4
279.19653	1.2
287.16492	1.0
289.18100	100.0
290.18414	5.6
307.19141	83.8
308.19482	5.3
502.29474	34.8
503.29614	3.2
648.94476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.0
69.03339	3.1
71.01245	8.4
71.04883	1.6
71.57266	1.8
71.57629	1.4
73.02808	2.1
78.95787	1.5
80.02548	1.7
81.03345	1.7
83.04899	3.7
93.03350	1.3
95.04942	2.9
97.06449	2.9
109.06501	1.9
111.08040	13.9
113.09610	4.4
115.07542	4.4
116.13281	1.3
125.09599	2.5
129.09122	5.6
137.09698	1.6
139.11195	1.8
149.09660	2.0
151.03937	2.3
151.07573	2.9
151.11191	20.3
152.08362	2.9
153.12787	3.4
163.11183	3.2
165.12784	22.4
166.13147	1.6
167.10683	6.6
177.12717	2.3
179.10715	10.6
179.14365	2.0
181.12259	27.6
182.12625	1.6
191.10744	13.5
195.13867	6.7
197.11777	9.7
209.11774	100.0
209.15343	4.6
210.12108	4.4
211.13307	8.6
227.12820	3.9
241.89304	1.5
247.20641	9.8
253.09189	2.7
263.20001	1.7
265.18018	1.6
265.21652	2.8
266.52579	1.4
269.76172	1.4
273.18643	2.3
277.21744	15.1
281.21289	7.7
291.19675	88.4
292.19995	6.5
309.17099	8.2
309.20639	62.8
310.21045	4.6
383.89670	1.5
670.32233	1.6
709.57538	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	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.5
58.94746	0.4
59.00992	0.7
59.01249	7.5
61.75246	0.4
69.03316	1.6
71.01250	8.6
71.04876	0.7
71.20029	0.6
73.02801	1.5
83.01249	2.0
83.04909	0.8
84.02048	0.5
85.02826	9.1
87.00758	2.8
89.02322	4.9
95.04884	0.7
95.73563	0.5
96.95872	1.5
97.02816	1.4
97.06471	2.4
101.02316	7.1
113.02341	3.8
119.03385	1.4
125.02377	0.5
125.09559	0.8
127.11166	1.1
133.04921	0.8
137.09573	1.8
143.03389	0.7
145.04935	1.5
155.10698	0.8
157.04958	0.8
161.04489	3.5
165.12788	0.6
171.10182	22.4
172.10521	1.1
174.85957	0.5
177.12711	0.6
179.05452	1.1
181.12311	0.7
183.13826	4.0
185.11736	0.7
193.12202	0.5
195.13791	1.1
197.11777	1.0
201.11279	1.0
209.11800	1.4
211.11632	0.4
211.13339	11.4
212.13538	0.5
221.11749	1.5
229.14430	7.9
232.31335	0.4
233.22772	0.7
235.08180	16.4
236.08546	0.7
239.12897	1.4
253.09253	24.9
254.09665	0.9
259.20499	0.6
275.20111	0.6
277.21713	100.0
278.22040	8.8
291.19659	6.5
293.21295	2.6
295.22830	0.6
309.20712	14.5
310.20999	1.3
311.22269	2.3
314.22266	0.4
326.20844	0.5
327.21756	79.1
328.22107	6.2
390.96249	0.5
477.58191	0.5
507.87653	0.5
513.31519	0.6
514.39838	0.5
545.29883	2.2
563.30725	2.4
587.43408	2.0
754.08600	0.5
806.48236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42657	0.8
58.00463	1.1
59.01252	33.4
61.98698	2.4
62.29211	0.9
68.83678	1.0
71.01256	45.0
71.58415	1.3
72.99184	100.0
73.02814	2.7
73.99520	1.6
75.00735	3.0
83.01255	3.0
85.02830	18.6
85.99984	1.0
87.00764	2.7
89.02319	27.1
89.52946	0.9
90.52703	0.9
95.01285	2.5
96.95889	3.7
99.00773	3.0
101.02333	11.9
106.32468	1.0
107.84872	0.9
113.02335	26.5
115.00253	2.5
117.81410	1.1
119.03368	5.2
125.46297	1.1
131.03413	1.7
133.01317	11.0
143.03398	2.7
161.04480	2.0
171.10107	1.6
179.05542	7.9
193.03395	2.4
209.11763	1.2
314.89911	1.2
337.07733	8.1
355.08896	5.5
423.32687	1.4
429.64532	1.2
467.31665	2.0
485.32816	8.7
486.32690	1.2
615.37238	2.3
633.38733	6.6
651.39355	1.3
693.40051	1.5
694.26953	1.0
762.86328	1.1
779.39673	2.7
823.41199	88.3
824.26385	1.8
824.41443	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.0
59.01251	23.8
60.13612	0.8
61.98702	1.2
68.99685	3.1
71.01257	28.8
72.45551	0.8
72.99176	5.3
73.02822	3.6
75.00754	11.0
77.99294	0.8
78.54597	0.7
83.01255	3.4
85.02831	19.1
85.99961	0.9
87.00757	1.8
89.02326	9.6
95.01281	5.5
96.95915	1.7
97.02847	0.8
98.19778	2.5
99.00765	17.1
101.02344	11.4
113.02345	15.4
115.00293	0.9
119.03381	2.6
157.01375	1.3
171.10118	0.9
193.03511	1.2
228.81787	0.9
441.33911	2.4
451.32092	3.4
453.33777	1.6
483.34891	1.6
553.38428	1.1
779.40033	3.7
823.44806	100.0
824.45233	18.0
845.30383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	1.2
59.01253	22.7
63.87407	0.4
67.01747	0.5
68.99686	1.9
69.38669	4.7
71.01258	21.2
72.99184	2.0
73.02818	1.0
73.35394	0.4
75.00421	0.5
75.00758	6.2
83.01289	2.6
85.02827	8.3
85.99974	0.5
87.00748	2.0
89.02319	7.8
91.16039	0.5
95.01276	3.9
95.01795	0.7
96.72042	0.4
96.95867	2.5
97.02811	0.6
98.99049	0.5
99.00757	17.9
99.38367	0.5
101.02322	8.5
101.02930	0.9
111.00760	0.7
112.01566	0.8
113.02334	6.4
115.00261	1.0
119.03377	1.4
125.65570	0.4
134.80215	0.4
157.01294	1.4
253.08925	0.5
253.42535	0.6
439.32300	1.5
441.33594	2.2
485.32727	1.2
509.36392	0.7
523.34674	1.1
553.35565	2.8
554.35669	0.7
555.37006	1.5
581.43787	0.7
599.35767	3.5
625.33850	0.6
643.34961	4.0
644.35632	0.6
689.35065	0.5
717.42749	0.6
823.41266	100.0
824.41492	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	823.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	0.9
59.01252	19.0
64.80952	0.9
68.99697	1.0
71.01256	21.0
71.44947	1.9
72.99174	1.7
73.02829	2.0
75.00749	7.7
83.01254	2.5
84.24516	0.8
85.02833	8.4
87.00719	1.6
89.02316	6.6
95.01275	4.8
96.95881	3.7
99.00755	15.6
101.02318	7.5
113.02343	7.7
116.92793	1.5
119.03379	1.4
139.00208	1.0
174.10883	0.9
235.30592	1.0
322.45862	1.0
402.46399	1.2
441.33453	1.2
464.08264	1.0
469.31705	1.0
485.32657	2.2
523.34235	1.2
553.35309	2.6
555.36792	1.3
599.35876	4.3
603.48120	1.0
643.35626	4.3
761.41315	1.4
766.50818	1.2
823.41272	100.0
824.41620	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	823.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.3
63.86890	0.9
67.01758	1.7
68.99698	1.8
69.48544	8.3
71.01263	9.5
72.99171	4.1
73.02799	1.4
75.00749	46.4
83.01242	2.5
83.95400	0.9
83.98982	0.9
85.02824	32.1
87.00742	3.6
89.02335	1.9
95.01248	4.2
95.73836	0.9
96.95875	3.0
99.00742	4.3
101.02319	1.6
104.09212	0.9
113.02335	18.0
114.01758	1.1
115.00229	1.3
116.01044	4.3
117.01808	1.1
121.02796	0.9
121.90681	0.9
129.01802	1.7
131.04527	1.3
132.91081	1.0
135.47856	1.0
150.03091	3.3
157.01276	1.8
158.35660	0.9
165.05437	2.7
175.03824	1.3
179.03391	1.3
193.04991	1.4
195.06564	1.4
230.02237	0.9
238.76312	0.9
255.02931	2.7
280.18179	1.1
281.93042	1.0
284.03247	2.8
291.92642	0.9
301.76578	1.1
314.21762	1.0
337.09439	1.2
441.33740	5.0
531.77863	0.9
537.94720	1.0
550.22498	1.2
555.36969	5.1
607.21771	1.2
661.35870	18.1
662.36359	1.9
703.37341	2.3
726.99554	1.1
823.41260	100.0
824.41528	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	823.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	2.1
59.01253	46.7
67.01758	1.2
69.03336	1.1
69.77356	3.8
69.77775	1.3
71.01256	37.2
72.99185	59.4
73.02441	1.0
73.02819	13.3
75.00743	3.1
83.01250	2.4
83.91439	0.8
85.02827	36.0
85.03356	1.7
87.00755	2.0
89.02322	13.9
95.01260	6.7
96.95894	1.3
98.19839	1.0
99.00742	3.0
101.02321	12.2
101.86768	0.7
102.02636	0.7
103.00256	14.5
111.02240	0.7
113.02337	44.2
114.02679	1.1
115.00277	0.8
125.07485	0.7
129.01828	3.4
131.03381	8.3
133.01291	3.6
139.00307	0.7
157.01340	2.6
163.02371	1.7
175.02417	4.3
183.13768	2.5
193.03470	39.2
204.47104	0.8
212.82678	0.8
292.96939	0.7
301.16476	1.1
378.35928	0.8
423.89157	0.9
458.76492	0.8
537.66376	0.8
589.37836	0.8
647.37921	4.5
679.68732	0.9
686.01514	0.9
823.41266	100.0
824.41541	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	823.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.8
59.01254	73.9
60.01579	1.3
69.03318	2.0
70.92262	1.2
70.92603	1.8
71.01256	50.4
72.01572	1.4
72.99186	64.7
73.02449	1.3
73.02824	17.9
73.99509	1.1
75.00731	4.3
77.97433	0.8
83.01241	3.2
84.02004	1.0
85.02831	48.8
86.03126	1.1
87.00745	3.4
88.14873	1.0
89.01827	1.5
89.02324	19.9
95.01260	10.4
96.95893	2.7
97.02786	0.8
99.00730	2.9
101.02328	22.1
103.00263	15.5
110.17769	0.9
113.02338	59.1
115.00241	1.4
117.09118	0.9
119.03413	1.2
125.02338	2.5
129.01804	3.7
131.03427	7.7
133.01320	4.9
134.96555	0.9
143.03398	1.7
157.01324	3.0
161.04428	1.7
163.02371	1.6
175.02359	4.0
179.05505	1.0
179.36536	0.9
183.13741	1.0
193.03474	32.4
236.80017	0.9
423.32529	1.4
425.28992	1.2
425.34921	0.9
471.33221	1.6
485.32486	2.8
578.44104	1.0
587.16986	1.0
615.37390	3.0
633.38629	8.8
647.37909	4.6
651.39545	2.6
675.39667	2.3
693.40668	2.5
758.02356	1.0
823.41333	100.0
824.41577	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	823.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	2.7
59.01255	100.0
59.95634	0.9
62.93440	0.9
65.73156	0.8
69.03326	1.3
69.30902	9.5
71.01260	44.0
72.99190	9.7
73.02828	12.8
75.00755	3.2
81.03311	0.9
83.01271	4.9
84.02075	0.9
85.02831	18.3
86.03239	0.9
87.00761	3.8
87.15985	0.9
89.02321	17.8
95.01292	5.1
96.95888	4.2
97.02850	1.9
99.00748	3.4
101.01698	1.6
101.02334	20.5
103.00240	1.8
111.00759	1.6
111.12009	0.9
113.02336	37.5
114.93240	0.9
116.92769	1.7
119.03407	6.2
124.01553	2.7
125.02377	6.1
131.03423	2.3
133.01401	1.3
134.03612	1.3
135.04451	0.9
143.03380	4.4
149.02347	1.1
149.04510	1.6
160.01515	1.4
161.04462	8.3
174.01556	1.2
175.03839	1.3
179.05516	2.9
193.03481	4.4
193.05078	1.3
211.13350	2.9
212.13631	1.5
356.18137	1.0
375.24185	1.3
471.33463	6.2
508.72733	0.9
579.35388	1.0
615.37415	11.5
616.38080	1.3
633.38580	37.3
634.39075	4.2
651.39691	12.2
652.40186	1.8
675.39496	7.3
693.40808	13.2
694.41083	1.9
706.84265	1.0
823.41724	15.5
824.41547	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	823.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08772	1.3
70.63448	1.3
71.01247	6.3
96.95892	20.9
98.95455	6.1
98.96108	1.2
99.00745	4.3
99.92458	56.8
100.90308	1.4
100.92500	1.9
100.93248	3.6
103.84144	1.5
114.94746	1.4
115.91960	59.8
116.92747	100.0
117.92733	3.4
141.66913	1.3
141.93524	3.9
156.95891	3.4
168.95927	2.1
170.93811	1.9
171.94554	1.6
173.96202	2.7
183.13908	2.0
184.30147	1.7
226.96513	2.6
244.97694	1.5
253.09233	1.8
277.21643	9.8
278.22113	3.3
281.04993	1.8
285.00772	1.4
310.05243	1.6
318.00452	5.7
327.21646	5.1
328.34161	1.5
353.06845	2.1
367.08557	4.9
497.11166	3.7
515.11853	4.2
787.33545	13.7
788.33405	3.9
823.35596	9.7
824.35907	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	823.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	1.5
58.98449	1.4
59.01254	100.0
68.25646	1.3
69.60907	1.3
71.01257	44.3
71.58471	2.1
72.99178	8.0
73.02823	12.9
75.00748	2.4
83.01269	6.7
85.02830	22.7
87.00757	4.2
89.02325	16.5
95.01270	7.3
96.95895	3.4
97.02850	3.0
99.00777	4.9
101.02334	20.4
103.00262	1.5
113.02341	35.1
114.08453	1.2
116.92772	2.2
119.03418	8.3
124.01607	2.7
125.02327	6.4
143.03442	5.9
150.03218	2.9
161.04489	6.8
165.05536	3.8
179.05626	3.5
193.03436	3.1
211.13364	4.6
235.58760	1.3
270.41254	1.5
271.25650	1.4
316.74756	1.3
386.11932	1.6
417.16159	2.0
449.78162	1.5
455.07022	1.2
471.33051	7.5
489.34659	2.9
525.36005	1.4
565.20648	2.5
597.36194	1.9
615.37323	14.0
616.37708	1.6
633.38568	46.7
634.38751	4.3
651.39722	15.3
652.39972	2.1
675.39917	6.3
693.40686	14.6
823.41425	21.5
824.41907	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	823.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86582	5.8
69.86885	1.5
71.01255	5.2
72.99195	2.2
80.96372	1.3
85.25925	0.9
86.00006	1.0
87.00763	2.2
96.95887	23.5
97.02857	1.1
98.95482	8.2
98.96336	1.2
99.00790	6.0
99.92461	47.3
100.92484	2.7
100.93243	1.8
101.02268	0.9
114.94796	1.5
115.91116	1.6
115.91966	58.7
116.92744	100.0
117.92772	5.4
126.94841	1.8
127.00237	1.4
141.93562	2.5
142.94333	2.2
143.95181	1.0
155.95035	1.1
156.95862	4.4
168.95795	2.1
170.93765	1.1
173.96181	1.4
181.12216	1.2
183.13846	2.2
196.95416	1.9
197.11749	2.0
226.96458	2.2
235.08130	1.0
244.97643	1.7
253.09259	1.2
259.96246	1.6
277.21716	15.3
278.22098	3.6
281.04758	2.0
285.00729	2.5
286.98499	1.4
293.21255	1.2
303.98843	2.7
309.04288	2.2
310.05127	2.5
311.05984	1.1
316.99670	2.3
318.00510	8.2
327.05374	1.5
327.21780	3.7
353.07101	1.7
364.06363	1.8
367.08713	4.5
393.13791	2.8
447.40335	1.1
453.08606	1.6
453.37024	1.0
497.11176	3.0
498.11978	2.0
515.12183	3.3
577.21014	1.2
587.26221	1.2
645.31146	2.4
761.35474	2.1
787.33734	16.7
788.34009	5.6
805.34357	2.7
823.35455	12.8
824.36536	3.8
828.58679	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.6
59.01257	5.8
61.86668	0.5
61.98695	1.5
69.03318	0.7
70.88689	1.0
70.89041	0.7
71.01252	5.0
73.02818	1.0
83.01257	0.8
85.02818	1.1
86.80077	0.5
87.00728	1.0
89.02314	4.3
95.01294	0.5
95.04919	0.5
97.02843	0.5
101.02318	4.6
109.06469	0.6
111.08059	7.8
113.02331	2.4
113.06850	0.5
119.03393	1.1
125.09529	0.4
125.41525	0.4
127.07565	0.7
143.03374	0.6
161.04471	2.3
167.10703	0.6
169.12248	3.2
171.10231	0.9
179.14270	0.6
180.14778	0.6
181.12210	1.1
195.13867	7.9
197.11765	41.0
198.12045	1.5
199.13304	2.2
209.11713	0.6
211.13342	6.6
221.75812	0.5
223.13342	6.0
225.14973	0.7
227.12964	1.2
235.08237	2.6
253.09253	25.7
254.09631	1.2
256.13193	0.9
263.20215	2.1
265.18140	1.6
265.21793	0.9
273.18512	0.9
275.20148	7.7
277.21783	1.2
291.19675	16.3
292.20026	1.9
293.21222	100.0
294.21555	8.5
309.20703	53.4
310.21057	3.9
529.30371	1.1
545.29742	1.0
583.29181	0.6
585.41736	1.6
586.41888	0.6
821.41382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
59.01258	9.6
61.98703	21.8
65.67691	1.2
67.01752	2.1
70.44831	4.9
71.01260	8.1
72.99181	1.3
73.02866	1.3
77.81009	1.3
78.91763	2.9
78.95750	1.9
79.95623	1.5
80.96379	2.5
85.02804	1.7
87.58361	1.2
89.02331	2.8
96.95897	5.1
101.02336	5.3
106.97967	1.3
111.07997	1.5
113.02348	2.3
115.00235	2.1
119.03400	1.7
121.10126	5.8
125.09589	4.4
136.29410	1.3
137.22818	1.2
141.01512	1.5
149.64543	1.5
161.04420	2.1
171.10199	14.9
185.11769	4.9
195.13788	7.7
197.11739	3.3
209.11734	1.5
211.13335	80.5
212.13675	5.2
221.11641	3.4
223.13329	5.9
223.17091	1.7
235.08235	6.6
235.10266	1.4
247.09541	1.9
251.16611	9.3
253.09258	27.1
263.13055	2.6
265.10641	14.0
275.20197	10.6
277.21799	7.3
291.14774	1.5
291.19662	66.1
292.19946	7.7
293.21231	100.0
294.21500	10.0
309.20758	15.2
310.20993	1.3
320.25427	1.5
447.22418	3.1
468.35294	1.3
483.18152	1.5
501.18982	1.7
502.19531	1.5
527.28809	7.4
821.40814	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
57.61040	0.7
58.00443	0.6
59.01255	6.6
61.98703	1.4
69.03323	0.7
71.01256	4.7
71.06366	1.6
71.12212	0.6
73.02805	0.9
83.04880	1.1
85.02833	1.3
87.00761	0.8
89.02334	4.4
96.95908	0.8
99.37836	0.5
101.02326	5.3
109.06458	0.7
111.08054	10.1
113.02321	2.5
119.03384	1.7
127.03894	0.6
127.07581	0.8
151.11197	1.4
153.12683	1.0
161.04402	3.1
167.10666	0.7
169.12241	4.1
171.10228	2.9
179.05530	0.6
179.14359	1.1
181.12254	1.6
183.13766	0.8
185.11792	0.6
195.13840	7.2
196.14554	0.8
197.11774	40.0
198.12115	2.2
199.13290	3.1
202.22542	0.7
211.13321	9.7
223.13370	5.7
227.12892	0.9
235.08171	2.1
253.09267	31.2
254.09579	1.4
256.13177	1.1
263.20102	3.4
265.18088	1.2
275.20148	6.5
277.21735	1.9
284.15439	0.6
289.18042	1.2
291.19659	16.9
292.20010	1.6
293.21234	100.0
294.21515	8.4
309.20700	68.4
310.21045	5.0
433.20557	0.7
545.29761	1.0
585.41455	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.0
59.01253	6.4
61.98702	4.6
71.01255	5.8
71.34646	2.4
72.99197	1.1
73.02813	1.5
80.96396	1.9
83.01242	1.0
85.02791	1.2
87.00743	1.3
89.02319	2.9
96.95892	16.9
97.02811	1.1
97.06413	0.8
97.51720	0.8
98.69922	1.0
101.02315	4.9
109.53956	1.1
111.08028	5.4
112.98682	1.1
113.02328	1.9
113.48332	1.0
115.00241	1.2
119.03375	1.2
123.08006	1.4
124.39738	0.9
161.04446	2.2
167.10678	1.0
169.12248	2.0
171.10178	3.9
177.12732	1.2
183.13898	1.4
185.11798	1.9
195.13852	6.3
197.11752	23.9
198.12120	1.9
199.13371	1.5
200.60652	0.9
211.13332	6.6
223.13390	4.3
235.08148	4.0
249.14868	1.4
253.06676	1.8
253.09253	27.6
254.09470	2.3
263.12823	1.6
263.19965	1.3
275.20203	6.2
277.21762	16.9
278.22043	0.9
279.23273	1.1
289.18100	10.0
290.18433	1.2
291.19659	22.0
292.20010	10.7
293.21213	100.0
294.21494	8.0
307.19101	2.7
309.20709	49.7
310.21045	7.1
311.21313	1.2
325.20212	1.2
339.68628	0.9
387.99640	1.1
452.35693	0.9
492.21606	1.1
585.41846	2.6
648.25604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01249	5.8
61.90796	0.5
61.98705	1.4
69.03310	1.2
70.05210	3.0
71.01254	6.0
71.04904	0.6
73.02814	0.7
77.37762	0.5
80.96381	0.9
83.01213	0.7
83.04861	0.6
85.02823	1.7
87.00731	0.7
89.02327	4.0
95.04863	0.8
96.95898	0.7
97.02821	5.2
101.02337	3.9
111.08028	3.5
113.02316	2.4
115.00259	0.5
119.03372	0.7
119.08608	0.6
121.10098	0.8
125.09605	0.6
129.01836	0.6
135.33948	0.5
137.09567	1.3
161.04466	2.5
163.11215	0.8
163.29181	0.5
165.12720	1.3
167.10698	0.9
169.12190	1.2
171.10178	6.9
172.92850	0.5
179.14296	0.7
181.12282	1.2
183.13858	0.7
193.12257	1.0
195.13794	7.9
196.14339	0.6
197.11763	14.6
198.12231	0.7
199.13361	0.9
205.12091	0.5
211.13335	4.6
223.13359	6.3
227.12791	1.3
228.13777	0.7
231.21043	0.7
235.08208	2.6
235.16954	0.7
239.12938	0.8
240.34959	0.5
247.20586	1.1
253.09265	27.6
254.09692	0.7
256.13187	1.9
263.20163	1.5
273.18628	1.0
275.20190	8.5
276.20395	0.6
277.21732	1.7
291.19672	21.3
292.19934	1.6
293.21222	100.0
294.21619	8.5
309.20709	66.1
310.21051	5.6
386.69800	0.6
494.19284	0.5
514.03577	0.5
529.29919	0.9
545.29779	1.0
585.41620	2.2
713.35071	0.6
821.44153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.4
58.00463	2.4
59.01252	100.0
69.03320	1.2
71.01257	38.3
71.58021	1.4
72.99171	2.4
73.02818	12.5
75.00754	1.4
81.62347	1.0
83.01266	4.9
85.02821	12.2
87.00770	3.7
89.02319	17.9
95.01264	3.8
96.95889	2.4
99.00754	2.9
101.01692	1.8
101.02322	20.2
112.01431	1.1
113.02339	33.8
119.03397	5.8
124.01573	2.3
125.02312	3.9
131.03464	2.1
131.04482	3.2
134.03636	1.0
143.03378	3.5
151.03874	1.4
161.04480	10.8
179.05577	3.9
199.13411	1.8
208.69458	1.0
242.30899	1.1
267.25079	1.2
289.59958	1.0
469.31873	3.9
534.64954	1.1
595.33801	1.4
613.36011	6.2
631.36957	26.9
632.37354	4.3
649.37726	11.1
650.37964	1.8
673.37921	5.1
691.39410	12.0
830.21222	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	819.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
59.01250	6.8
61.98705	9.1
64.61384	0.9
71.01247	5.1
71.04884	1.7
80.96377	1.3
81.03327	1.2
82.95315	1.1
85.02814	1.7
89.02318	2.9
93.68108	0.6
95.04906	1.1
96.32196	0.7
96.95889	0.8
98.20670	1.4
101.02312	3.7
109.06480	8.1
111.04419	2.0
111.08082	1.1
112.80104	0.7
113.02328	2.1
113.88264	0.7
121.06475	0.9
123.08045	1.3
127.07514	1.4
143.10599	1.3
145.06482	0.8
148.38895	0.8
161.04462	1.7
167.10703	2.2
171.10149	1.2
179.05565	1.1
195.13835	9.1
209.11768	1.2
211.13283	1.1
223.13412	4.5
235.08151	2.1
235.13280	1.5
245.19057	3.5
253.09242	17.3
256.13083	1.2
271.16949	1.0
273.14941	0.8
275.20181	5.5
277.21768	1.5
287.16501	1.4
289.18094	100.0
290.18454	6.7
291.19687	3.5
292.20087	0.7
293.21213	86.0
294.21490	6.3
297.17096	0.7
299.34369	0.8
307.19171	4.7
309.20679	0.8
382.95746	0.8
426.34174	0.8
525.27069	2.7
595.36957	0.9
812.94019	1.0
819.39899	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	821.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01252	100.0
70.03676	6.3
71.01254	39.6
72.99200	2.8
73.02819	10.9
75.00733	2.6
81.03336	2.0
83.01284	4.5
85.02827	13.7
87.00759	4.2
89.02323	18.1
95.01262	4.4
96.95908	9.2
99.00762	3.4
101.02328	18.7
113.02341	33.0
113.03439	3.3
114.01858	2.0
119.03376	4.9
124.01525	2.2
125.02342	4.4
125.91254	1.7
131.03519	2.8
131.04535	10.8
134.03644	2.9
143.03453	4.4
161.04500	10.3
163.00270	1.4
169.34392	1.6
171.10187	3.3
173.82700	1.5
179.05498	3.1
179.98938	1.3
191.42282	1.4
193.05006	3.8
199.13356	2.2
209.11816	3.0
211.13371	2.4
233.15363	2.6
234.15862	2.1
240.35388	1.7
261.87549	1.6
367.40967	1.9
405.25482	1.8
437.86807	1.8
595.34564	2.0
613.35303	7.5
631.37073	28.3
632.37201	5.0
649.37952	11.4
650.38391	2.5
673.37653	4.5
691.39288	9.8
777.38818	1.7
820.39545	3.6
821.41022	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	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
59.01249	12.3
61.98700	1.5
69.03335	2.2
69.69738	5.2
71.01258	10.4
71.04866	0.8
72.99205	1.1
73.02833	1.5
75.71432	0.8
76.13116	0.9
78.98480	1.2
79.95606	2.2
80.96392	10.0
81.03339	1.0
83.01268	1.2
83.04881	1.7
85.02842	2.3
87.00752	2.1
89.02338	6.2
94.97970	2.6
95.04934	1.2
97.02844	2.2
97.06471	2.6
98.20525	1.7
101.02312	7.7
109.06477	2.4
111.08051	13.7
113.02316	4.3
119.03401	2.3
119.08582	1.1
121.10130	1.2
123.04389	1.1
125.09655	2.7
131.53943	0.9
137.09645	2.3
141.09111	1.0
151.11188	1.5
153.12762	1.2
161.04492	2.4
163.11220	3.2
164.98590	2.0
165.12746	1.4
167.10713	2.6
169.12291	3.7
171.10164	1.8
177.12767	2.3
179.10686	3.1
179.14320	1.2
181.12257	2.0
185.11786	3.4
189.12721	0.8
191.10771	0.9
191.14337	2.7
195.13826	10.5
197.11769	38.5
198.12051	1.2
199.13292	1.8
207.10106	0.9
207.13927	1.0
209.11781	6.6
211.13344	7.0
223.13390	6.3
225.00719	2.1
225.11443	1.3
227.12854	1.6
235.08154	4.2
237.11356	2.5
239.23856	0.8
245.19037	7.4
247.20691	3.3
253.09280	30.7
254.09564	1.3
263.20169	5.3
265.18130	1.2
271.16882	1.5
273.15854	0.8
273.18668	3.3
275.20319	3.8
277.21686	3.9
287.16434	1.2
289.18109	32.0
290.18533	2.6
291.19672	100.0
292.20050	6.9
293.21234	72.5
294.21658	4.9
305.17532	1.7
307.19159	28.7
308.19678	1.9
309.20706	51.9
310.21106	2.6
527.28601	3.5
545.29742	1.9
742.86292	0.8
819.41382	7.2
820.41821	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	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.6
59.01247	9.1
61.98705	14.2
67.50673	0.6
69.03325	1.2
71.01257	8.3
71.15497	1.3
72.99186	0.6
73.02811	1.5
80.02511	0.7
81.03323	1.7
83.01266	1.8
83.04901	1.6
84.59155	0.5
85.02818	1.9
87.00744	1.7
89.02315	5.3
95.01272	1.0
95.04900	1.9
97.02843	2.1
97.06473	3.7
98.20547	0.6
101.02309	6.9
106.04106	0.8
107.04935	0.7
108.02077	0.7
109.06466	1.7
111.04381	1.1
111.08060	1.4
113.02325	2.6
119.03401	1.3
121.06496	1.1
121.10093	1.2
123.04366	1.5
123.08014	1.4
125.05952	1.0
125.09627	5.7
135.08029	1.7
137.05980	1.5
137.09544	3.2
141.12762	1.2
143.03389	0.7
149.09676	0.6
161.04446	2.6
163.11209	6.2
165.12761	1.5
167.10744	1.0
171.10176	6.0
177.12714	1.2
179.05559	1.4
179.10655	0.8
179.14322	1.0
181.12244	1.3
185.11748	8.9
191.10640	1.2
191.14339	7.0
193.12202	0.6
193.15724	0.7
195.13846	7.4
197.11734	2.8
207.10231	3.3
209.11757	16.8
211.13391	2.9
217.15834	1.0
223.13336	7.5
225.11298	2.6
227.17865	0.6
228.13631	0.9
235.08182	3.3
237.11319	7.9
245.19075	12.3
246.19444	0.9
253.09251	24.3
254.09547	0.9
256.13135	1.4
263.20157	5.1
271.16949	2.2
275.20084	8.1
277.21658	7.4
278.22348	0.7
281.21231	1.0
287.16537	1.2
289.18085	76.2
290.18430	5.0
291.19617	10.7
293.21213	100.0
294.21518	6.8
305.17612	4.4
307.19128	71.9
308.19476	5.7
309.20660	5.6
433.79968	0.6
445.20724	0.8
485.17010	0.7
494.71146	0.7
525.27100	1.7
534.78137	0.7
543.28082	2.3
819.49036	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.4
58.00472	1.9
59.01255	64.2
61.98722	1.5
71.01258	32.4
71.58380	1.9
72.99180	2.4
73.02818	10.2
80.96384	1.9
83.01268	3.5
85.02825	12.9
85.99956	2.1
87.00759	4.1
89.02319	15.5
95.01250	2.4
96.95885	4.3
97.02861	2.3
99.00764	2.7
101.01691	1.8
101.02332	20.8
110.44574	1.2
112.93262	1.2
113.02335	14.4
115.22352	1.4
119.03376	4.5
125.02360	3.2
128.89291	1.2
139.26447	1.3
143.03415	2.6
161.04384	3.7
165.12750	5.0
169.10780	1.1
169.12277	1.3
172.80757	1.5
179.05568	3.1
183.13838	33.8
209.11699	1.8
211.13350	42.3
212.13721	2.9
227.12766	2.8
260.44293	1.2
304.04123	1.3
307.26294	1.6
321.52582	1.2
353.10458	1.7
397.13403	6.3
485.31570	3.1
509.31494	2.0
527.32269	100.0
528.32526	13.5
767.31805	1.4
819.40179	54.2
820.39899	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	819.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.7
58.00471	0.9
59.01252	32.7
66.99197	0.7
67.77144	0.7
68.61508	0.7
69.03326	1.9
71.01254	22.3
71.57960	0.7
71.58325	0.9
72.99185	1.8
73.02820	4.6
75.00756	1.2
78.95784	2.1
81.03316	1.7
82.49400	0.6
83.01266	2.6
83.04914	5.2
85.02830	6.4
85.06450	1.6
87.00761	3.8
89.02325	11.9
93.03324	0.9
95.01259	1.2
95.04894	1.1
96.95905	4.6
97.02831	1.1
97.06442	2.0
98.03258	0.8
99.00743	1.2
101.02327	11.7
107.04897	0.8
107.08511	0.7
109.06483	1.6
111.08035	4.4
113.02331	9.9
119.03381	2.7
119.04916	1.7
121.02866	0.9
121.06407	0.7
121.10159	0.9
122.03658	0.8
122.06005	1.8
125.02321	2.2
125.09611	7.4
131.03392	0.8
135.08040	1.4
137.09589	1.0
143.03377	2.0
149.02470	0.8
150.03114	4.0
151.03880	1.0
161.04469	2.5
165.05457	2.9
166.18442	0.7
171.10172	21.1
179.05484	1.9
183.13867	1.1
185.11847	0.9
189.16412	1.1
190.04944	0.8
190.07904	0.7
195.06583	2.6
205.15929	2.6
209.11765	7.1
211.13293	8.9
213.14833	0.7
215.14349	1.8
219.10159	0.8
221.06519	1.8
221.15404	2.3
227.12772	1.0
231.13837	1.7
233.15434	20.1
234.15762	1.2
235.08189	1.5
249.14919	9.1
253.09213	1.3
257.17612	1.4
266.73639	0.8
283.10886	1.4
283.18936	0.8
315.26871	0.9
323.23767	1.4
331.26205	1.4
335.53860	0.7
341.24869	2.6
359.25934	2.1
367.22980	1.3
375.25424	1.0
377.26923	1.4
385.23819	5.4
393.26285	1.2
397.13483	3.2
403.24887	15.3
404.25305	1.6
415.14337	2.5
421.25961	16.4
422.26083	1.6
505.18622	0.9
627.32501	0.9
629.35388	2.4
647.36145	1.0
663.56323	0.8
779.77832	0.8
801.39526	7.9
802.39294	1.7
819.40173	100.0
820.40582	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	819.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.8
63.96113	3.4
71.01237	8.5
71.13255	4.8
71.13571	3.0
76.58711	2.4
78.95768	7.0
78.98452	8.7
79.95613	18.7
80.96392	91.5
84.34548	2.7
85.02821	2.9
87.00739	4.6
94.97970	17.5
96.95901	4.3
106.97929	4.9
109.48376	2.3
111.85853	2.8
122.97440	5.7
125.02410	3.3
134.97435	6.2
139.35649	2.8
146.23744	2.6
148.99023	9.6
152.98495	7.4
164.98529	18.0
171.10208	3.9
183.13753	4.4
211.13361	3.6
213.70142	3.2
225.00685	30.6
258.88022	2.6
266.52155	2.5
364.46240	2.8
364.92407	2.8
427.22443	2.8
510.33838	3.2
606.05273	3.4
724.66071	3.2
819.38214	100.0
820.38525	19.8
853.21185	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	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	2.8
58.54454	1.7
59.01255	47.1
63.32422	1.7
69.03327	2.6
71.01250	30.3
72.99176	3.4
73.02798	6.3
75.00726	2.1
79.43156	1.7
83.01266	2.3
83.04890	6.2
85.02828	10.6
85.06482	1.9
87.00745	5.6
89.02306	16.0
96.95880	10.5
97.02793	1.8
97.06505	3.0
99.00742	3.5
101.02345	15.6
105.75755	1.7
111.08070	2.2
113.02320	14.6
115.00238	1.8
119.03387	4.7
119.04932	1.9
123.08026	1.9
125.02312	3.6
125.09620	4.4
131.03391	2.3
143.03406	3.8
161.04478	3.6
171.10181	22.3
177.82571	2.0
183.13800	2.7
187.14886	3.1
205.15915	6.1
209.11751	17.6
211.13383	19.7
212.13734	2.9
215.14386	2.4
221.15323	2.4
222.61116	2.0
227.12880	2.4
231.13751	2.2
233.15408	28.7
234.15443	2.4
235.08182	2.9
249.14847	5.7
250.18161	1.7
251.16585	2.2
306.32004	1.7
341.24747	4.7
359.25821	2.1
367.22775	2.3
375.25269	2.4
385.23837	5.8
397.13336	8.6
398.13785	2.4
403.24887	20.1
404.25522	2.5
415.14594	3.8
421.25888	13.1
572.76068	2.0
629.35834	5.2
693.80829	2.2
801.39453	17.7
802.39282	3.4
819.40210	100.0
820.40503	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	819.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
58.00470	1.8
59.01255	67.6
61.98692	2.7
69.03339	2.5
71.01256	41.9
72.99181	4.5
73.02814	12.6
75.00774	1.5
76.51180	1.5
79.95601	1.7
80.96376	2.7
83.01260	6.2
85.02828	12.8
87.00759	4.8
89.02322	15.4
95.01261	4.2
96.95891	3.9
97.02848	2.3
99.00777	3.4
101.02328	22.3
102.35506	1.8
109.75248	1.3
113.02336	14.9
116.92822	1.7
119.03397	3.5
125.02312	4.1
128.39906	1.4
145.85469	1.4
161.04465	4.3
165.12704	4.4
183.13840	39.8
193.12227	1.4
209.11830	4.8
211.13351	49.3
212.13710	2.2
227.12831	2.9
229.99275	2.1
235.08170	2.3
296.82208	1.7
397.13251	8.6
415.14526	1.8
485.31296	3.4
495.82629	1.8
509.31256	2.1
527.32251	100.0
528.32605	16.2
551.32434	3.3
819.40253	54.5
820.41022	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	819.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01256	47.0
61.98706	1.5
63.18855	0.7
69.03296	0.9
69.34164	0.6
70.53123	2.7
71.01259	24.0
72.99178	1.7
73.02820	8.4
74.64886	0.7
75.00763	1.1
75.50550	0.5
79.95611	1.6
80.96396	2.8
83.01267	4.2
85.02824	12.2
87.00772	1.7
89.02322	2.7
90.68726	0.7
92.30171	0.6
95.01274	1.6
96.95913	1.0
97.02824	1.4
99.00750	3.2
101.02327	13.6
113.02342	7.1
116.92786	1.0
125.02373	1.1
131.03421	0.8
143.03421	1.4
161.04469	2.2
183.13905	0.8
209.11740	3.3
211.13365	2.9
225.00667	0.9
237.22157	0.8
279.26910	1.0
321.61002	0.7
337.42871	0.6
341.30481	0.7
397.13181	1.0
441.32309	1.0
467.30362	1.2
485.31165	3.4
487.88162	0.8
491.30206	0.9
509.31439	3.7
527.32275	100.0
528.32581	16.2
551.32123	1.9
569.33209	0.9
819.39545	3.0
820.39905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	0.9
61.98705	4.3
69.03309	0.7
70.01096	0.6
70.01508	1.7
71.01259	2.9
72.99195	0.5
73.02799	0.5
73.31350	0.4
75.00761	0.4
80.96413	0.6
85.02848	0.8
87.00771	1.0
89.02306	2.0
95.01237	0.5
95.27795	0.4
96.99178	2.0
97.02850	1.8
101.02347	1.8
105.33688	0.4
113.02339	1.5
119.03396	0.6
125.02370	1.4
141.01605	51.0
141.85129	0.4
142.01949	0.4
142.04964	0.6
184.88379	0.4
215.23331	0.5
235.08273	0.6
243.04912	0.8
277.21756	6.3
287.62668	0.5
291.04999	0.4
291.19769	0.5
306.38623	0.4
311.29117	0.5
359.22009	4.6
397.13522	11.3
398.13934	0.9
415.14740	2.2
419.11838	2.1
437.12668	3.8
438.12933	0.6
697.34546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.7
58.00469	6.1
59.01251	100.0
61.98706	4.4
65.03829	3.8
69.03334	14.3
71.01258	81.4
71.58754	6.9
72.99184	13.1
73.02824	13.2
75.00732	8.6
81.03311	5.8
83.01279	12.4
83.04901	7.4
85.02847	24.0
87.00747	29.3
89.02310	57.7
93.04854	3.9
95.01273	8.2
95.04891	17.9
96.95921	13.5
97.02839	13.8
97.06503	3.8
99.00755	6.8
101.02321	47.3
106.88109	3.8
109.06473	16.1
111.00787	4.4
111.04385	4.3
113.02322	25.8
115.00269	11.0
119.03397	16.1
121.06450	6.0
123.08029	4.2
125.02361	20.7
125.09598	7.7
133.06493	6.1
135.08124	4.3
143.03419	6.6
149.09625	12.0
161.04469	6.5
163.11214	9.1
171.10185	93.8
174.01724	4.3
175.02423	19.2
175.03775	5.0
179.05516	12.1
183.10181	9.4
185.11823	5.9
201.11194	6.6
203.14339	11.7
207.10202	29.8
208.54988	4.4
209.11775	16.3
211.13359	30.7
221.06615	8.8
225.11322	27.9
229.12308	8.0
229.14490	21.3
235.08200	9.8
235.13300	7.2
237.14854	22.8
247.13417	50.8
248.13727	4.2
253.09030	5.0
253.14423	8.7
265.14468	24.6
277.18094	4.3
281.09351	3.7
347.57208	4.1
373.23932	8.6
379.12680	7.1
383.22336	8.1
391.24615	17.7
397.13538	55.4
401.23233	23.4
409.25970	30.1
415.14487	21.1
419.24432	23.3
420.25522	4.5
437.25513	17.3
446.04660	4.0
525.29584	5.2
771.37909	6.0
773.35809	9.2
774.36102	4.8
781.36713	15.5
782.36438	4.6
789.39020	19.9
799.37860	29.0
800.38184	8.7
817.38348	64.4
818.39258	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	817.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89460	0.9
59.01254	100.0
61.98701	10.9
69.03342	1.5
69.66349	4.0
69.66756	2.0
71.01256	3.1
75.00717	1.0
75.74229	1.1
85.02842	1.3
89.02338	1.8
95.01266	1.7
96.99211	6.6
97.02840	3.9
101.02327	2.9
113.02325	1.5
125.02222	1.3
127.99442	0.9
132.85564	0.9
139.00288	1.5
140.98112	1.1
141.01613	55.3
142.01869	1.2
142.05069	1.6
159.89285	1.3
161.04547	1.0
171.10188	1.1
207.10158	1.4
249.14806	1.1
277.21686	6.9
287.71072	1.0
359.22137	5.3
397.13434	15.9
415.14456	3.3
419.11813	3.7
437.12680	4.5
442.95569	1.1
466.46390	1.2
517.00024	1.0
607.29791	1.1
655.04437	1.1
697.34698	2.0
775.62250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37157	0.4
58.02547	0.4
59.01253	100.0
60.01587	0.7
61.98704	6.3
62.68734	0.4
64.52142	0.3
69.03303	0.6
71.01255	3.1
71.56799	0.5
73.02824	0.5
80.96393	1.1
82.81598	0.4
85.02850	0.8
87.00771	0.6
89.02300	2.3
95.01294	0.5
96.99216	1.2
97.02854	1.1
101.02340	1.6
110.53607	0.3
112.55909	0.4
113.02361	1.3
125.02355	0.8
141.01602	54.3
142.01932	0.9
142.04903	0.4
143.03355	0.5
167.48044	0.4
235.08258	0.6
243.04810	0.6
277.21738	5.6
278.22119	0.7
330.16028	0.4
359.22122	4.5
397.13513	11.5
398.13834	1.2
415.14667	2.8
417.00861	0.4
419.11551	2.2
437.12820	3.9
675.36035	0.7
697.33850	1.9
698.34424	0.5
817.37146	0.8
817.50928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85238	1.0
59.01240	3.5
70.42872	4.4
71.01252	1.5
85.02828	1.5
91.49562	0.9
93.03333	2.9
99.00784	1.1
108.02023	1.3
109.02838	3.7
113.02285	1.6
121.02834	8.8
122.03629	8.0
123.00728	1.9
133.02869	2.1
134.03627	4.4
135.04469	5.0
136.01564	25.7
137.02362	20.2
138.02994	1.2
139.03943	1.2
149.02351	12.0
150.03131	50.4
151.00287	9.4
151.03923	26.8
152.00990	1.9
152.04524	1.0
160.01610	1.4
160.05252	1.2
161.02315	1.7
162.03006	1.2
163.03897	2.6
164.01077	1.1
164.04720	3.8
165.01848	83.2
165.05493	52.6
166.02626	29.2
166.05782	2.1
167.03369	3.1
170.51118	1.0
172.05215	1.1
175.02496	1.2
175.03906	4.5
177.01915	1.8
177.05490	2.1
178.02594	1.6
179.03430	20.5
179.07050	1.2
180.04208	53.7
181.04973	36.2
182.05264	1.8
187.03929	1.5
189.05469	2.3
190.06302	5.0
191.03435	1.7
193.04958	3.3
194.05734	4.0
195.06572	100.0
196.06905	4.5
205.04865	2.2
207.06499	1.4
210.05254	10.4
225.07648	53.4
225.73009	1.2
226.07951	1.5
255.02992	2.9
284.03275	4.1
329.10379	1.7
343.11383	1.3
357.09622	4.6
357.13452	7.2
372.12051	3.2
386.13776	3.4
387.14581	42.7
388.14914	3.9
403.13654	1.7
417.15543	20.6
418.15918	2.5
535.19727	2.4
565.20764	67.3
566.21368	8.3
583.22034	1.7
613.22992	19.7
614.23248	3.9
817.25146	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	817.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.8
59.01246	3.3
67.01768	0.9
71.01264	3.1
75.00740	0.9
85.02837	1.4
93.03331	0.9
95.62040	0.6
96.95844	1.0
109.02805	1.1
113.02316	1.0
121.02819	1.7
122.03641	3.3
122.29224	0.6
125.02292	1.7
129.17273	0.6
133.02882	0.7
134.03683	1.3
135.04424	0.9
136.01559	13.3
137.02347	14.4
146.03589	1.0
149.02394	4.1
149.05933	0.7
150.03140	15.8
151.00291	3.8
151.03925	12.6
152.04497	0.7
161.06001	0.7
163.03920	1.8
163.06187	0.6
164.00999	1.1
164.04657	0.9
165.01849	92.6
165.05476	16.8
166.02589	11.5
166.05753	1.0
167.03377	1.2
175.03886	1.5
177.01840	0.6
179.03424	13.4
179.07074	1.6
180.04196	55.8
181.04980	12.8
182.05394	0.6
189.05464	1.0
190.06313	0.8
191.03409	0.7
194.05806	3.2
195.02814	2.4
195.06564	92.0
196.06908	3.7
210.05273	13.1
211.05737	1.3
211.83963	0.8
225.07640	100.0
226.07999	4.8
226.09923	0.9
255.03036	1.3
284.03418	1.4
285.03568	0.9
357.09650	2.4
357.13483	5.6
372.11853	1.9
387.14575	22.4
388.14841	1.7
417.15659	6.2
418.15836	0.8
565.20770	3.9
583.21356	0.8
613.22864	9.6
614.23462	1.5
835.85834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.8
60.99168	2.7
69.01625	2.6
71.01247	4.3
75.00751	3.7
78.95779	32.6
80.02504	2.7
80.96420	3.3
83.04906	4.9
85.85144	2.7
87.00746	4.2
88.98676	5.2
96.96854	4.1
152.99467	10.4
163.11168	5.1
171.10214	15.6
199.09634	2.8
205.77228	2.6
207.10278	5.0
208.47467	2.4
209.11774	100.0
210.12166	4.0
219.18211	2.8
223.00165	3.9
227.12863	12.8
229.73550	2.9
235.08052	4.4
241.01143	15.8
242.03331	2.7
253.09262	7.7
255.23320	14.7
277.21707	85.8
278.22021	8.8
393.46994	3.0
415.47537	2.8
428.80078	3.4
571.28491	3.0
725.38647	18.4
726.38727	4.7
797.40277	5.4
798.39594	3.8
815.40326	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	815.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.4
61.98706	0.6
63.50859	0.3
71.01263	0.9
71.56982	0.2
71.57431	0.4
72.99182	0.6
75.00748	0.3
79.95616	3.4
80.96390	0.3
81.16579	0.3
85.02805	0.4
88.98672	0.4
89.70027	0.3
96.95892	100.0
97.95820	0.4
99.00780	0.3
99.92472	0.4
106.35574	0.3
114.93299	1.0
116.92745	3.6
117.18652	0.2
118.96485	0.5
132.98088	0.7
142.96523	0.8
158.99657	0.4
160.97571	0.3
184.97598	1.6
188.97105	0.9
210.99225	0.7
212.32379	0.2
272.99258	0.6
304.12427	0.3
330.28510	0.3
411.52661	0.2
673.39594	0.6
703.46735	0.3
729.35236	4.3
730.35638	0.7
815.46576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.9
61.98714	1.7
69.60458	0.9
71.01250	3.2
72.99172	3.7
78.95791	1.8
85.02814	1.4
87.00758	1.2
89.02336	4.7
98.19757	1.8
101.02329	3.1
102.61366	1.0
108.39167	1.1
109.82632	1.0
110.21312	1.0
113.02337	1.5
119.31696	1.0
123.19962	1.0
128.18550	1.1
134.30002	1.3
157.08595	2.7
161.04431	1.5
171.10214	3.7
183.13835	5.3
193.12366	1.4
194.07721	1.1
195.13853	4.8
209.11787	1.7
211.13347	100.0
212.13676	4.7
223.13394	2.6
235.08159	3.3
253.09244	14.6
254.09674	1.3
263.20328	1.2
275.20123	4.2
276.20657	1.4
277.21802	3.5
293.21225	55.8
294.21600	5.1
397.13431	2.5
447.22464	8.0
487.34668	1.3
529.30035	1.4
713.96954	1.2
748.38495	1.2
782.56830	1.4
815.48920	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.8
61.98711	4.2
64.12816	0.7
66.36076	0.7
71.01253	5.3
71.57817	0.8
73.02818	1.3
75.81631	0.7
78.95792	0.9
85.02828	1.3
87.00761	2.5
89.02319	2.6
101.02330	5.6
109.13289	0.8
113.02311	2.9
116.92693	1.2
119.03366	1.5
134.87473	0.7
145.04912	2.2
161.04491	3.1
201.11249	1.4
209.11775	5.0
210.12247	1.1
219.13641	1.0
232.16953	0.8
235.08188	13.5
244.63824	0.8
246.14973	59.9
247.15358	3.1
253.09225	11.1
274.18219	1.7
277.21722	100.0
278.22098	8.5
279.23273	2.0
282.48822	0.9
291.19489	1.2
292.19992	1.1
295.22675	2.0
299.17578	1.7
300.15753	1.3
317.18713	37.1
318.19095	2.7
504.30917	1.4
802.11743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.0
58.00471	1.0
59.01251	22.7
68.99669	1.3
69.65723	3.6
69.66164	3.3
71.01257	24.8
72.99185	4.7
73.02839	2.2
75.00737	7.3
79.63464	0.8
83.01255	4.1
85.02825	12.0
87.00755	1.4
89.02317	8.0
95.01249	4.9
96.95908	1.4
99.00758	12.5
101.02322	8.3
112.01527	1.1
113.02337	9.4
119.03410	2.4
150.01414	1.0
157.01390	1.4
164.04625	1.1
227.51654	0.9
249.05699	0.9
278.85141	1.0
356.47400	1.0
413.34268	1.1
453.85440	1.0
471.34537	2.4
473.36298	1.8
541.39105	1.1
555.36749	1.4
587.39752	2.2
631.39063	3.0
649.28821	1.1
811.44855	100.0
812.45264	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	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02803	1.5
60.99185	18.8
70.94849	3.7
72.16282	1.4
78.95773	3.7
80.96389	5.9
82.30895	1.5
86.16091	1.4
88.98678	100.0
98.75350	1.3
114.38107	1.6
116.92712	2.9
183.13835	4.5
186.60593	1.6
209.11818	2.9
225.00645	2.8
277.21814	5.1
306.85400	1.5
707.82764	1.9
723.43396	5.9
813.43292	10.0
814.43134	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	811.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.0
58.00466	1.3
59.01254	20.0
67.01728	1.1
68.99701	2.3
69.03318	0.8
71.01257	22.7
71.06878	1.7
71.07253	1.5
72.99191	3.4
73.02821	2.6
74.20841	0.7
75.00752	9.2
83.01245	2.8
83.14661	0.8
84.02068	0.8
85.02828	15.1
87.00777	1.9
88.98683	0.9
89.02313	9.1
90.46988	0.8
91.92759	0.8
95.01281	5.0
96.95904	3.3
99.00767	12.7
101.02325	9.1
101.02934	1.1
113.02338	10.0
119.03383	2.1
125.02329	1.4
150.75879	0.8
157.01251	1.2
165.80473	0.9
168.70012	0.8
171.10184	1.9
175.02484	0.8
183.13821	0.9
183.96147	0.9
191.01863	2.5
211.13362	0.9
223.08820	0.9
265.10574	4.1
303.60339	0.8
353.10220	2.2
359.57242	1.0
471.34711	3.2
473.36362	2.3
519.25714	0.9
541.38727	1.3
555.36603	1.4
587.39636	4.3
631.38989	4.3
760.26117	0.9
811.44897	100.0
812.45380	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	811.449
Annotation	Randiasaponin VII
Peak:m/z	Relative Intensity
57.03328	7.8
58.06313	0.6
59.01252	7.6
61.98688	1.5
64.22469	0.6
67.01765	1.3
68.99678	1.0
71.01254	9.4
71.04900	1.3
71.57668	0.7
72.99187	4.4
73.02840	1.6
75.00747	50.9
75.72517	0.6
83.01270	2.5
84.02032	0.7
85.02824	33.4
87.00758	3.2
87.97138	0.6
89.02322	1.6
95.01260	2.2
96.95879	2.8
97.02789	0.7
99.00764	3.1
100.14822	0.6
101.02307	1.7
112.01581	0.8
113.02334	17.0
115.00265	1.5
115.04858	0.6
117.01808	1.6
129.01830	1.7
150.03127	1.5
157.01299	1.6
161.52843	0.7
162.03404	0.7
163.03978	0.9
163.13518	0.6
165.01854	0.9
165.05495	1.2
180.04243	1.1
180.06767	0.7
181.05138	0.7
193.05031	1.0
195.06522	2.5
247.29860	0.6
255.02995	1.1
284.03287	1.1
413.34674	1.0
473.36398	5.5
515.37366	1.4
527.37695	1.9
565.21240	0.8
587.39752	5.3
589.37445	1.1
613.22827	1.1
631.38672	1.4
649.39545	24.8
650.39807	3.6
691.40771	0.9
811.44873	100.0
812.45367	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	809.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.6
59.00998	1.4
59.01257	21.6
61.38379	1.4
62.36162	1.4
68.99668	3.9
70.44353	4.4
71.01260	29.7
71.04922	1.3
72.40491	1.5
72.99174	2.9
73.02808	4.6
73.97340	1.4
75.00751	17.8
78.44539	1.4
83.01262	4.6
85.02824	15.0
89.02322	11.4
95.01257	4.5
96.31886	1.4
96.95927	3.0
98.20495	1.3
99.00761	13.5
100.36633	1.2
101.02323	14.0
113.02351	11.9
119.03394	4.1
133.57451	1.7
147.56204	1.5
203.86632	1.5
209.11790	2.5
220.60605	1.3
277.21667	2.0
279.23322	4.1
291.19739	7.8
416.04449	1.9
469.36841	4.8
480.76520	1.5
539.41382	1.8
544.71588	2.0
590.61389	1.6
596.28015	1.6
629.40686	1.6
699.12921	1.8
809.46979	100.0
810.47473	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	810.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
59.01250	1.2
64.12095	0.4
69.53072	4.0
76.61860	0.5
78.95364	0.8
78.95783	8.4
84.73463	0.5
93.06961	0.5
97.06467	1.4
101.02279	0.5
111.08035	0.9
112.73385	0.5
116.92693	0.6
121.10117	8.5
123.08068	0.6
125.09605	5.4
141.12798	0.7
147.08043	0.7
152.99510	1.3
157.34836	0.4
163.11208	0.5
167.10770	0.6
168.04213	1.5
185.11765	11.0
186.12094	0.7
195.13824	1.3
197.11780	3.0
209.11784	1.7
211.13396	2.0
222.34726	0.5
223.13339	2.7
224.06932	3.4
224.13530	0.5
239.08299	0.5
242.07994	0.8
247.20561	1.1
273.18652	1.2
279.23291	36.8
280.23746	1.9
289.18069	0.8
291.19669	100.0
292.19980	8.0
373.83063	0.5
456.95438	0.5
499.60141	0.5
504.30960	27.0
505.31427	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
59.01252	22.4
61.98704	1.0
70.35168	3.2
71.01257	25.0
72.99169	3.3
73.02822	1.5
75.00749	15.3
82.53288	0.8
83.01248	2.0
85.02821	13.7
87.00741	3.6
89.02325	7.6
92.05795	0.8
92.28832	0.7
95.01257	4.3
96.95920	1.5
97.02863	0.8
99.00755	11.9
101.02329	8.3
105.42840	0.8
111.00759	0.9
112.01545	0.8
113.02328	12.0
119.03385	1.2
129.01837	1.1
157.01311	1.8
161.04495	0.7
165.05437	1.5
171.10155	0.8
195.06619	0.8
220.55363	0.7
357.65381	0.9
469.33347	2.5
471.34695	3.9
513.36035	1.2
539.37604	2.7
553.35461	1.2
585.37567	4.1
629.36993	4.8
630.37408	1.0
661.35968	1.0
662.36218	1.1
747.43402	0.8
809.43323	100.0
810.43597	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	809.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
58.00471	1.3
59.01252	21.7
61.98709	1.1
68.99683	1.2
69.03339	0.9
69.94502	2.5
71.01253	21.3
72.99180	2.7
73.02797	1.2
75.00745	8.6
78.95797	1.0
83.01241	2.1
85.02826	11.5
85.36800	0.6
85.99984	0.6
87.00739	3.0
89.02316	10.7
95.01255	4.6
96.95860	1.5
97.02824	1.0
99.00759	14.3
101.02328	10.8
112.01569	0.9
113.02334	9.4
116.92731	1.2
118.86179	0.5
119.03368	1.9
139.00275	1.4
139.03888	0.5
142.68124	0.6
157.01309	1.4
161.04472	0.8
170.40599	0.5
171.10194	0.7
201.11147	0.5
209.11909	0.8
211.13319	0.8
227.16798	0.5
253.09282	0.6
315.25757	0.6
318.23004	0.7
329.23349	1.1
381.60574	0.5
423.32474	3.1
453.33749	1.2
469.33344	0.6
471.34702	4.3
489.89923	0.6
553.35547	1.2
572.60345	0.7
585.37878	2.9
603.37988	0.7
629.36877	3.6
630.36963	0.7
809.43304	100.0
810.43695	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	809.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.1
58.00462	1.4
59.01256	19.5
68.99692	2.6
70.15129	4.0
71.01260	24.3
72.99181	2.9
73.02817	2.9
75.00744	13.8
76.73112	0.8
83.01264	5.8
83.31008	0.8
83.83073	0.8
85.02832	18.6
87.00748	2.4
89.02324	9.1
95.01263	5.0
96.95901	4.4
99.00763	13.7
101.02324	10.6
111.00756	1.0
113.02338	12.5
116.92730	3.1
118.97756	0.9
119.03393	2.8
129.20171	0.8
139.00278	1.1
157.01300	2.2
161.04489	0.9
201.11230	1.3
209.11797	2.6
227.12643	1.0
249.06157	1.3
253.09239	0.9
275.06070	0.8
309.20670	2.0
329.23383	1.3
353.07062	1.2
407.33118	3.5
436.96997	0.9
471.34842	1.1
599.52307	0.9
809.43304	100.0
810.43646	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	809.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.2
57.03561	0.5
58.00460	0.9
59.01251	22.6
63.05697	0.7
67.01755	0.7
68.99687	1.9
71.01255	30.4
72.99181	2.6
73.02824	3.5
75.00753	17.2
83.01255	4.3
85.02827	16.2
85.03344	0.6
87.00746	2.2
87.99635	0.6
89.02306	8.9
92.44218	0.6
95.01273	5.7
98.19661	1.3
99.00763	15.6
101.02324	13.0
112.01527	0.9
113.01611	1.1
113.02335	11.6
119.03384	2.8
139.00238	0.9
143.36911	0.6
157.01358	1.3
161.04486	0.8
171.10136	0.8
195.08504	0.7
230.44815	0.8
266.25357	0.6
469.33194	4.9
539.37433	1.6
781.63812	0.7
809.43311	100.0
810.28455	0.9
810.43665	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	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.8
59.01254	30.2
63.25199	1.7
64.63910	1.5
68.99706	2.5
69.03342	1.8
69.95009	8.7
71.01255	31.8
72.99193	8.9
73.02821	4.0
74.99054	1.4
75.00745	41.5
83.01273	4.1
84.02042	1.6
85.02829	28.1
87.00737	5.7
89.02332	11.3
95.01248	5.8
96.95881	3.7
98.20515	2.1
99.00746	8.0
101.02344	12.4
111.44434	1.6
113.02336	21.7
115.00266	1.9
119.03357	3.0
135.02896	1.8
143.03436	1.5
149.02431	1.7
179.07219	1.7
393.30682	1.8
469.33044	2.5
471.34625	3.5
517.29858	2.1
572.76508	1.7
647.37280	3.6
661.36145	17.5
662.36279	14.0
663.36792	3.9
808.42175	4.3
809.43054	100.0
810.42987	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.9
58.14798	0.8
59.01253	25.7
65.62161	0.9
69.03332	2.0
71.01260	16.9
71.58636	1.3
72.99181	3.7
73.02806	3.0
75.00750	34.2
83.01271	2.2
85.02830	33.8
85.44360	0.8
87.00758	5.8
89.02323	3.7
95.01272	3.0
96.95900	2.0
99.00748	7.9
101.02334	3.6
103.00278	0.9
111.00822	1.5
113.02343	20.1
115.00268	2.1
117.01852	1.0
125.08938	1.0
129.01872	1.3
157.01289	1.8
165.05385	1.3
175.03851	1.1
187.03960	0.9
193.04874	0.9
195.06561	1.1
208.27863	1.1
224.87434	0.8
241.49075	0.9
243.05496	0.9
471.34671	5.8
585.38153	1.0
647.37860	1.9
765.34973	1.5
809.43323	100.0
810.43634	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
57.57658	1.1
59.01252	23.2
68.99677	2.2
71.01256	22.1
72.99159	1.0
73.02803	2.2
74.82890	0.8
75.00758	10.0
83.01240	2.5
85.02823	11.2
87.00710	1.1
89.02311	6.5
95.01269	4.5
98.20548	2.2
99.00757	17.5
101.02326	10.5
112.01416	0.9
113.02339	9.3
119.03378	1.4
135.54080	0.9
157.01373	2.0
177.99324	0.9
183.27130	1.0
285.39148	1.0
321.79037	1.0
469.33252	3.6
471.34732	4.5
497.11893	1.2
539.37646	2.0
553.35999	1.4
585.38025	4.5
629.37164	4.3
630.37323	1.0
739.89038	1.1
767.43280	1.1
804.61676	1.3
809.43311	100.0
810.43713	18.0
823.04834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
58.00455	0.9
59.01255	22.4
68.99671	1.4
69.94688	5.4
71.00900	1.8
71.01260	22.5
71.75416	0.8
72.99194	1.2
73.02821	2.5
75.00751	8.4
77.67860	1.0
82.68312	0.8
83.01250	3.6
84.35579	0.8
85.02834	20.6
87.00745	3.4
89.02319	9.2
93.72729	0.8
95.01278	5.2
98.20462	1.3
99.00764	22.8
100.43120	0.8
101.02317	7.8
113.02326	13.8
116.92728	2.8
119.03391	1.6
157.01338	2.8
204.05615	0.9
244.95238	0.8
278.83728	0.9
395.33252	1.4
439.32361	1.8
471.30682	1.0
477.03754	1.2
501.32443	1.0
531.95117	1.0
762.65344	1.1
765.42755	1.3
809.43341	100.0
810.43579	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	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.2
58.00462	1.7
59.01257	22.5
68.99663	1.9
70.19598	1.3
71.01254	21.9
73.02833	2.7
75.00751	12.6
79.46626	1.3
83.01263	2.8
85.02427	1.5
85.02838	18.7
87.00763	2.5
89.02322	7.5
95.01260	4.1
99.00761	16.8
101.02340	10.2
113.02351	13.3
119.03406	2.2
122.85493	1.5
174.19193	1.4
175.18280	1.3
188.95854	1.3
201.09570	1.5
439.32031	3.4
469.33093	2.0
471.35175	7.5
513.36493	1.5
585.37775	3.3
625.84827	1.7
629.37225	3.8
809.43298	100.0
810.43591	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	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
58.00459	1.3
59.01252	26.7
59.26722	0.3
67.01754	0.7
68.99685	2.0
69.03323	0.5
70.35250	1.2
71.01255	28.7
72.01589	0.3
72.99191	2.5
73.02827	1.6
73.31588	0.3
75.00746	10.1
83.01260	2.8
84.95421	0.3
85.02824	10.7
87.00755	2.4
89.02315	9.9
95.01265	4.8
97.02810	0.8
99.00758	16.7
101.02325	10.0
111.00734	0.4
112.01539	0.5
113.02331	9.0
115.00237	0.4
119.03414	2.1
125.02277	0.4
139.00294	0.4
150.03114	0.4
157.01352	1.1
161.04439	0.6
180.56094	0.3
327.42325	0.3
469.33133	2.9
470.06854	0.3
471.34775	3.0
472.34766	0.3
513.35779	0.5
528.91736	0.3
539.37469	2.2
553.35437	1.7
585.38098	1.6
603.38928	0.6
629.37109	4.3
675.41315	0.4
747.44122	0.4
765.35492	2.0
809.43292	100.0
810.43616	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.8
59.01254	30.2
63.25199	1.7
64.63910	1.5
68.99706	2.5
69.03342	1.8
69.95009	8.7
71.01255	31.8
72.99193	8.9
73.02821	4.0
74.99054	1.4
75.00745	41.5
83.01273	4.1
84.02042	1.6
85.02829	28.1
87.00737	5.7
89.02332	11.3
95.01248	5.8
96.95881	3.7
98.20515	2.1
99.00746	8.0
101.02344	12.4
111.44434	1.6
113.02336	21.7
115.00266	1.9
119.03357	3.0
135.02896	1.8
143.03436	1.5
149.02431	1.7
179.07219	1.7
393.30682	1.8
469.33044	2.5
471.34625	3.5
517.29858	2.1
572.76508	1.7
647.37280	3.6
661.36145	17.5
662.36279	14.0
663.36792	3.9
808.42175	4.3
809.43054	100.0
810.42987	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	808.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.4
68.39690	0.3
70.86655	0.8
71.01250	0.6
78.95780	4.7
88.98663	0.9
90.25898	0.3
95.04924	0.3
96.95888	0.3
125.06013	0.6
127.07542	0.3
145.55238	0.3
148.08829	1.1
149.09621	0.4
150.10431	0.9
151.11176	0.7
152.99477	1.2
163.11157	1.1
163.56375	0.4
165.12767	20.7
166.13097	0.9
168.04185	0.9
175.02061	0.3
176.11906	0.5
177.12694	0.3
191.14354	0.8
209.11797	0.4
217.15842	0.7
224.06900	0.6
236.57838	0.3
242.07935	2.0
247.20663	9.4
248.20973	0.7
273.15942	0.5
273.18610	5.3
274.18890	0.6
275.20218	0.4
277.21716	68.2
278.22061	5.5
291.19659	100.0
292.20013	6.0
407.57434	0.3
466.67151	0.4
502.29413	26.0
503.29813	3.2
614.37012	0.5
656.56415	0.4
750.73566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
58.00465	1.1
59.01253	18.4
61.98703	1.3
67.01756	0.6
68.99672	2.1
71.01257	27.8
72.01572	0.5
72.99187	2.7
73.02811	3.0
75.00748	7.9
78.95767	0.5
83.01260	2.8
85.02825	11.4
87.00745	2.1
89.02324	8.9
95.01279	5.2
96.95908	1.5
98.19790	2.1
99.00758	19.3
101.02317	9.5
101.02908	0.3
101.45421	0.5
111.00762	0.6
113.02335	11.4
115.00237	0.6
116.92752	2.9
119.03378	1.8
121.02814	0.6
139.00273	1.6
157.01303	1.5
161.04501	0.9
165.01938	0.6
169.21272	0.6
171.10208	0.8
181.14444	0.5
395.32858	0.7
407.33231	1.5
440.71005	0.5
451.32376	0.7
478.12399	0.5
586.40723	0.5
609.33331	0.6
627.35626	0.9
763.42535	1.4
781.45892	0.6
807.41748	100.0
808.42114	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	807.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.3
58.00467	1.7
59.01254	23.9
68.99679	2.6
71.01257	28.1
72.99174	2.0
73.02818	3.0
75.00744	6.5
83.01255	3.9
85.02338	1.1
85.02827	12.4
87.00765	0.9
88.98685	1.1
89.02327	7.0
95.01273	6.2
95.60349	0.6
97.02848	0.6
98.20663	1.1
99.00763	21.4
100.01070	0.7
101.02322	8.2
113.02335	10.5
113.57397	0.8
114.93289	1.7
115.00257	0.7
116.92725	2.5
119.03386	1.9
139.00243	1.1
157.01312	1.8
386.24179	0.6
405.31845	1.0
421.31134	1.6
423.32718	7.7
424.33145	1.1
465.33542	1.6
466.34235	0.7
467.31430	1.1
469.33179	1.7
495.79932	0.7
505.33258	1.1
537.36023	8.2
538.35907	1.1
551.33728	0.8
555.36926	1.2
581.34662	4.8
582.35754	0.8
627.35358	2.9
628.35657	1.0
789.17352	0.8
807.41736	100.0
808.42072	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	807.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
57.22269	0.6
58.00497	0.6
59.01253	18.5
61.70473	0.5
69.03326	1.6
70.21593	1.0
70.21991	1.2
71.01253	18.3
72.99162	1.6
73.02817	3.2
81.03341	0.9
83.01257	2.1
85.02820	4.5
87.00747	5.5
88.14457	0.5
89.02322	14.2
95.01264	1.1
97.02824	3.2
99.00754	1.1
101.02326	13.5
101.03001	0.8
111.04413	0.8
113.02320	9.1
114.77807	0.6
119.03386	3.8
125.02353	7.4
125.09612	0.9
127.11167	2.5
133.04951	0.7
134.53181	0.5
136.98030	0.5
139.03964	0.7
143.03418	3.4
149.04543	0.6
153.09091	1.0
161.04463	3.2
167.03369	0.6
171.10181	100.0
172.10516	3.8
179.05502	3.1
195.13800	2.7
199.06128	0.7
213.11200	1.0
217.07083	2.0
221.06638	1.4
223.13179	0.6
235.08255	5.6
253.09230	4.2
254.98630	0.5
255.23276	64.5
256.23636	4.8
269.24881	0.8
275.20364	0.8
277.21768	2.3
287.07681	2.7
293.21234	7.9
294.21634	0.7
295.22766	12.3
305.08804	1.5
323.09967	1.4
375.59851	0.6
379.12469	11.0
397.13504	38.9
398.13669	2.9
415.14545	7.7
416.14697	0.7
573.03912	0.6
624.97284	0.5
636.69855	0.7
653.37616	1.3
719.17310	0.5
724.04639	0.6
734.25256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
58.00467	1.6
59.01254	26.9
60.90536	0.7
62.24726	0.7
68.99677	1.9
71.01260	26.5
72.25852	0.7
72.99184	2.1
73.02824	2.4
74.30444	0.6
75.00413	0.7
75.00759	8.0
81.25050	0.7
83.01269	3.3
85.02829	9.6
87.00750	2.8
89.02320	10.4
95.01254	5.4
96.95921	1.4
99.00761	22.7
101.02327	10.5
111.00737	0.9
113.02331	11.0
115.00198	0.8
116.92740	1.8
119.03394	2.4
139.00256	1.5
157.01318	1.4
211.79958	0.7
271.22305	0.8
422.54608	0.8
423.32611	1.7
451.31927	3.1
469.33206	9.0
470.33356	1.2
479.31339	1.1
509.00195	0.7
511.34445	1.2
551.34131	1.9
583.36212	4.2
601.37054	0.9
627.35388	3.8
649.76318	0.8
745.42157	0.9
807.41754	100.0
808.42072	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	807.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.5
58.00462	1.3
59.01254	21.3
68.99693	2.4
71.01260	25.9
71.01889	1.0
71.02273	1.2
72.99205	3.7
73.02822	2.7
75.00749	13.7
83.01254	2.7
85.02829	15.6
87.00751	3.3
89.02319	7.7
95.01283	4.3
96.95902	7.2
97.02867	1.0
98.95469	2.1
99.00771	14.7
101.02331	8.5
111.00777	1.1
113.02337	12.4
115.00230	1.0
116.92763	0.8
119.03375	1.6
130.37540	0.6
131.52057	0.6
134.04581	0.8
147.82069	0.8
150.03145	0.9
157.01364	2.0
171.10162	2.1
209.11852	1.0
214.54831	0.8
219.61705	0.9
312.92783	0.7
327.21622	0.9
467.32004	3.5
469.33282	3.5
470.33551	0.8
537.36243	1.5
549.96362	0.8
551.33948	2.4
583.36584	3.1
627.35547	5.8
723.84100	0.8
807.41779	100.0
808.42261	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	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
58.50163	0.4
59.01244	1.4
70.18024	0.8
70.18419	0.9
71.01244	0.6
77.70277	0.5
80.96402	0.7
83.04907	0.7
86.88203	0.5
91.12954	0.5
95.04897	0.8
98.20540	0.6
111.07294	0.7
111.08055	9.2
136.43855	0.5
137.09642	0.7
149.09657	0.6
167.10692	2.2
177.12735	2.1
179.10654	2.2
195.13855	6.3
196.14215	0.7
247.20798	2.4
247.46144	0.5
259.79388	0.5
273.18680	1.0
277.21689	5.4
280.10815	0.6
291.19662	100.0
292.20023	8.4
359.69684	0.6
372.74313	0.4
390.54645	0.5
702.63959	0.5
805.39221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
58.99350	0.4
59.01254	1.3
64.81190	0.4
67.61049	0.4
70.49133	1.1
71.01247	1.8
73.66352	0.4
78.98458	1.0
79.95617	1.1
80.96392	7.4
87.00756	0.4
89.02331	0.7
94.97976	1.3
97.06469	2.3
99.08073	0.7
101.02313	1.0
113.02306	0.4
119.08566	0.4
121.10114	4.1
125.09631	2.9
125.10411	0.4
134.97523	0.5
141.12730	0.7
141.78935	0.4
148.99010	0.6
155.10669	0.6
164.98563	1.0
178.65230	0.4
185.11772	6.4
197.11745	2.2
209.11754	1.1
211.13335	1.6
223.97102	0.5
225.00638	1.8
235.08138	0.6
247.13358	0.7
247.20586	1.2
253.09225	4.1
263.20139	4.0
273.18631	3.7
277.21735	22.4
278.22034	1.8
289.18195	0.9
291.19669	100.0
292.20056	6.8
294.24768	0.4
300.85187	0.6
362.34750	0.4
557.70349	0.5
592.09167	0.5
783.95441	0.5
805.40601	6.7
806.41248	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	807.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.7
59.01253	16.9
61.68950	1.1
68.99694	1.6
71.01254	20.0
72.99182	3.9
73.02815	3.7
75.00745	40.9
83.01259	4.5
85.02822	27.6
87.00742	5.7
89.02322	2.9
95.01238	3.1
96.95902	16.4
98.19663	2.4
98.95454	5.3
99.00749	8.9
99.92448	1.3
101.02319	4.0
111.00737	2.4
113.02328	15.2
115.00287	2.7
116.92692	1.5
125.79303	1.3
171.10162	3.1
175.02480	2.5
183.13806	2.9
189.30820	1.2
209.11812	2.9
311.22205	2.0
323.10342	3.0
327.21860	2.9
351.65271	1.4
384.66360	1.3
451.32019	1.4
469.33188	6.3
473.27509	1.3
515.28802	11.8
516.28699	2.8
566.40912	1.4
583.36395	6.8
601.37860	2.4
645.36169	7.9
646.37183	1.6
659.27100	5.5
661.36218	4.1
807.41766	100.0
808.41913	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	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
58.00506	0.2
59.01248	3.2
69.03340	0.3
71.01253	3.0
72.99189	0.2
73.02814	0.4
83.01233	0.4
85.02824	0.6
87.00759	0.5
89.02314	2.1
90.09904	0.2
90.27695	0.2
95.01287	0.2
97.06505	0.3
98.19752	0.3
101.02324	2.8
111.08024	0.3
113.02326	1.6
113.09583	0.2
119.03382	0.6
121.10107	0.6
143.03387	0.3
160.33089	0.2
161.04439	1.3
167.10646	0.4
171.10226	2.1
177.12785	0.3
179.05490	0.5
179.10751	0.4
179.14281	1.0
181.12270	0.4
183.13808	0.7
195.13843	7.6
196.14427	0.8
205.12292	0.8
205.15953	0.4
211.13319	0.5
222.54185	0.2
223.13332	6.6
224.13719	0.6
228.13527	0.6
231.21109	0.3
235.08150	0.9
249.11063	3.4
249.22246	0.2
253.09267	16.0
254.09596	0.5
256.13138	1.2
265.21762	0.4
267.12006	0.8
275.20181	7.4
276.20560	0.3
277.21603	0.6
291.19604	0.4
293.21216	100.0
294.21530	5.5
309.20789	0.3
369.58331	0.2
467.19012	0.5
485.20120	0.3
492.22452	0.4
529.30048	0.6
532.60370	0.2
569.42181	1.0
600.55402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66535	2.5
59.01253	100.0
61.98716	4.5
64.67107	2.1
66.83527	2.2
69.03332	2.6
71.01255	40.8
71.57286	4.7
72.99183	2.8
73.02828	7.7
75.00755	4.4
78.95782	2.9
83.01265	4.8
85.02815	19.8
87.00769	5.4
88.98676	2.8
89.02319	19.9
95.01276	4.9
96.95896	8.0
99.00776	6.6
101.02337	21.7
102.81871	2.2
107.43443	2.5
113.02333	32.3
115.03903	2.4
119.03395	6.5
124.01521	3.0
125.02381	4.7
134.84633	2.5
143.03432	5.3
161.04478	8.8
171.10222	3.2
188.00301	2.4
202.41589	2.7
209.11908	3.1
211.13341	11.0
212.13730	4.6
215.12619	2.2
228.13618	2.4
365.23288	3.3
397.13568	3.7
453.32224	3.5
473.44254	2.6
597.36627	5.0
615.37476	41.4
616.37823	5.6
633.38226	15.6
636.40369	3.4
645.36182	7.0
646.37079	3.0
657.38818	4.7
675.39337	7.3
745.35168	11.0
804.94141	3.5
805.40308	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	805.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01253	8.6
69.03311	0.9
70.87263	2.1
71.01255	8.9
72.99168	1.5
74.51437	0.7
75.00752	1.1
78.95755	0.9
79.95605	3.4
83.01254	1.1
85.02820	4.3
87.00750	4.0
89.02315	4.2
96.95891	93.1
97.02805	1.3
97.06438	1.2
99.00774	2.1
101.02346	6.2
111.08090	1.5
113.02321	4.4
119.03392	1.9
125.02289	0.9
125.50350	0.7
161.04489	2.5
165.12750	8.8
175.02419	1.0
179.14381	1.2
183.13831	100.0
184.14160	3.3
186.06570	0.8
197.11804	1.8
209.11778	3.5
211.13351	41.9
212.13596	2.4
213.14919	6.4
223.13304	2.5
227.12827	6.8
235.08168	1.7
235.13362	1.3
241.14423	12.9
247.13480	1.1
247.87862	0.8
251.12918	3.5
253.09320	5.2
253.14403	1.8
259.13373	3.5
261.46631	1.1
263.12805	2.7
275.13016	0.8
277.14462	2.2
297.85098	0.9
327.21936	1.2
463.21707	3.4
657.34912	56.5
658.35254	8.9
687.35913	21.8
688.35968	3.8
697.34180	10.8
698.34991	2.4
699.35840	4.4
715.35590	3.1
717.36096	1.5
723.35950	3.5
727.35144	1.4
739.36005	1.8
741.37030	1.3
745.35486	1.2
751.36023	2.6
759.38007	1.6
769.36426	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	805.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66535	2.5
59.01253	100.0
61.98716	4.5
64.67107	2.1
66.83527	2.2
69.03332	2.6
71.01255	40.8
71.57286	4.7
72.99183	2.8
73.02828	7.7
75.00755	4.4
78.95782	2.9
83.01265	4.8
85.02815	19.8
87.00769	5.4
88.98676	2.8
89.02319	19.9
95.01276	4.9
96.95896	8.0
99.00776	6.6
101.02337	21.7
102.81871	2.2
107.43443	2.5
113.02333	32.3
115.03903	2.4
119.03395	6.5
124.01521	3.0
125.02381	4.7
134.84633	2.5
143.03432	5.3
161.04478	8.8
171.10222	3.2
188.00301	2.4
202.41589	2.7
209.11908	3.1
211.13341	11.0
212.13730	4.6
215.12619	2.2
228.13618	2.4
365.23288	3.3
397.13568	3.7
453.32224	3.5
473.44254	2.6
597.36627	5.0
615.37476	41.4
616.37823	5.6
633.38226	15.6
636.40369	3.4
645.36182	7.0
646.37079	3.0
657.38818	4.7
675.39337	7.3
745.35168	11.0
804.94141	3.5
805.40308	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.8
67.01767	1.7
69.95737	0.7
71.01279	1.2
76.55861	0.7
81.03317	0.9
85.73471	0.7
89.55806	0.8
93.03344	0.9
95.01302	1.0
96.95906	1.5
101.02320	1.2
107.04924	1.1
107.53079	0.7
109.02840	4.1
113.02275	0.7
121.02845	1.2
123.00813	1.7
131.04501	1.9
131.08319	0.8
135.04384	1.4
136.01543	2.7
137.02347	25.8
138.02730	1.1
139.03885	0.7
145.02844	1.0
147.02754	1.1
149.02357	1.1
150.03108	3.4
151.00282	12.2
151.03905	5.3
152.01025	1.4
152.04707	2.3
153.05531	1.0
162.03116	0.9
163.03935	1.3
164.01031	3.3
164.04752	0.8
165.01846	100.0
165.05469	5.1
166.02628	36.4
167.03337	3.5
175.03923	2.2
177.01875	2.4
177.05479	2.1
179.03435	22.8
180.04201	63.5
181.04980	38.3
182.05377	2.3
184.03764	1.2
187.03929	2.4
190.02690	0.9
190.06384	0.8
191.03462	0.8
192.04173	1.5
193.04988	2.1
194.05760	5.0
195.02853	3.4
195.06555	82.9
196.06908	3.2
202.06337	0.7
205.04993	6.6
206.05672	1.4
207.06551	2.8
210.05302	11.6
211.05859	1.1
220.07378	3.4
225.07643	68.0
226.08029	3.0
234.58374	0.8
359.11411	2.8
371.11282	1.1
372.12167	1.3
386.13864	1.2
387.10077	5.7
387.15198	6.0
402.13086	4.0
403.14047	1.3
416.14792	3.2
417.15518	56.7
418.15976	5.8
565.17523	2.5
595.21808	56.9
596.22089	8.3
613.21869	1.1
625.22229	1.3
643.23846	20.7
644.24109	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	805.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83978	2.0
59.01240	4.5
71.01261	5.0
72.99186	7.1
90.97020	3.1
96.95883	2.9
98.85922	2.7
100.77729	2.4
116.98598	6.1
118.96509	7.7
132.98071	5.6
142.27475	2.7
142.96494	2.4
144.98036	4.9
184.97702	3.4
188.97090	4.3
270.45728	2.5
459.02722	2.5
494.03430	2.7
568.19220	2.6
685.32764	9.2
729.32220	3.7
745.34851	100.0
746.35205	17.7
753.78662	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	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.1
69.71033	3.4
69.71453	0.9
71.01263	1.2
83.04964	0.6
85.02827	1.3
87.00833	0.6
93.03339	1.9
96.95880	2.0
98.19747	0.9
113.02304	1.6
121.02882	3.5
122.03625	10.2
122.92522	0.7
124.01559	0.7
131.04466	0.8
131.70518	0.7
133.02873	1.1
134.03624	1.1
136.01500	1.8
137.02412	0.7
149.02347	14.3
150.03131	85.8
151.03517	1.6
160.01547	0.8
162.02995	0.7
164.04716	3.2
165.05487	100.0
166.05791	4.1
180.04219	7.6
193.05077	0.7
195.06563	79.3
196.06915	3.0
209.37067	0.7
222.05199	0.8
268.07507	1.3
280.07257	0.8
283.09692	1.4
296.06815	1.1
308.06924	1.3
309.07736	1.7
311.09277	1.8
312.06363	2.8
322.08508	1.2
323.09177	3.3
324.06622	1.3
324.10092	2.4
327.08762	6.2
338.11584	2.2
339.08749	11.9
339.12347	1.5
340.09106	1.1
342.11066	9.4
354.11090	5.7
357.13443	31.5
358.13751	2.5
369.13422	38.4
370.13803	3.1
505.18958	0.8
511.55518	0.8
535.19873	4.8
553.20422	0.9
565.21240	0.8
583.21832	39.0
584.22162	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	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.7
71.37832	3.2
72.66319	1.5
88.98688	1.9
93.03371	3.2
108.73479	1.2
121.02840	4.0
122.03634	15.2
133.02844	1.5
136.01567	1.3
149.01222	2.1
149.02356	30.1
150.03136	91.1
151.03471	2.6
164.04732	7.9
165.05490	100.0
166.05817	2.8
170.31937	1.1
177.05591	1.4
179.07021	1.2
180.04195	7.7
195.06569	55.8
199.48386	1.7
210.66364	1.2
261.57498	1.3
268.07324	1.8
283.09845	3.1
284.03168	1.6
293.07706	1.4
308.06995	2.0
308.10236	2.0
309.07794	2.0
312.06613	1.7
323.09235	3.1
324.06564	1.5
324.09946	3.0
325.10687	2.1
326.11462	4.4
327.08759	6.0
327.12085	1.4
338.11606	2.3
339.08646	12.3
339.12402	3.8
341.13995	2.4
342.11169	9.2
343.11780	2.8
354.11139	4.8
357.13434	27.4
358.13672	1.5
369.13446	28.2
370.13608	2.3
472.15170	1.9
505.18991	7.0
517.18811	1.4
535.19763	47.0
536.19629	7.6
553.20563	1.4
565.20764	2.0
583.21844	60.5
584.22223	9.5
608.28870	1.4
687.75922	1.5
789.51398	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	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
58.92566	0.3
59.00982	0.6
59.01254	5.1
59.61631	0.3
61.98712	0.7
64.71510	0.3
69.03326	0.4
71.01254	4.4
71.04900	1.2
71.06059	0.9
72.99162	0.4
73.02813	1.1
78.95774	0.4
79.95650	0.4
80.96400	2.8
83.01273	0.4
83.04894	0.4
85.02818	0.8
87.00764	0.7
89.02330	3.5
89.27301	0.4
94.97955	0.5
95.01245	0.3
95.04910	1.0
96.95925	0.5
97.06451	0.6
100.43118	0.4
101.02319	3.6
108.71980	0.3
111.08047	7.3
113.02350	2.2
113.09592	0.8
113.46983	0.3
117.17429	0.4
119.03398	0.7
121.10121	0.9
125.02354	0.4
141.09076	0.4
143.03481	0.5
161.04503	2.0
167.10675	1.8
171.10217	1.2
174.71091	0.3
177.12671	1.7
179.05574	0.5
179.10696	1.8
179.14340	0.9
195.13858	11.5
196.14238	0.9
205.12268	0.9
211.13408	1.9
223.13359	4.9
225.14771	0.4
228.13545	0.6
235.08189	2.2
239.12801	0.4
245.19095	0.5
247.20708	1.5
253.09273	17.3
254.09593	0.7
256.13123	0.9
265.21683	0.5
273.18628	1.3
275.20154	6.7
276.20566	0.6
277.21741	2.4
289.18137	1.7
291.19675	100.0
292.20056	8.5
293.21240	81.2
294.21539	7.8
305.17722	0.4
307.19113	0.7
432.60352	0.4
490.96878	0.4
492.21875	0.4
527.28680	5.7
528.28784	0.8
529.29974	1.1
536.71967	0.4
567.40118	0.7
803.41791	2.3
804.42175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.2
59.81103	0.6
61.98693	3.2
69.03282	0.8
71.01253	6.2
71.04894	0.9
71.06097	1.5
73.02809	2.2
76.46136	0.6
80.96396	5.3
83.01257	1.1
83.04890	2.5
85.02805	1.2
87.00757	1.9
89.02310	3.1
93.03336	2.2
97.06467	1.0
99.78680	0.7
101.02324	5.9
111.08022	2.0
113.02317	2.2
117.06986	1.4
119.03387	1.2
119.08569	5.4
123.08013	0.7
125.09627	2.4
126.39748	0.5
133.06476	0.9
135.08072	6.2
138.06725	0.6
143.10658	0.8
145.04993	0.9
145.52989	0.7
148.02277	0.7
151.11276	0.8
161.04457	2.2
164.98538	1.3
171.10184	15.4
179.05600	1.0
187.14854	0.6
205.16042	1.6
209.11742	1.2
211.13403	3.6
221.15321	1.1
225.00656	1.2
231.13873	1.3
233.15395	6.1
235.08235	5.6
245.19118	1.1
249.14925	9.4
253.09273	10.2
271.16931	3.6
277.21722	100.0
278.22018	9.6
279.19672	2.2
289.18094	25.9
290.18466	2.4
291.19742	2.0
307.19138	18.3
308.19431	1.7
436.90198	0.7
507.25928	1.0
525.26782	3.6
543.28241	1.8
785.48474	8.8
786.48224	2.1
803.41608	4.1
804.42450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01888	1.9
58.77254	2.3
59.01249	25.4
71.01253	18.9
71.13639	6.2
71.59312	2.2
73.02825	3.1
83.01241	3.2
85.02805	5.1
87.00754	3.2
89.02327	9.6
96.49118	2.4
96.95889	6.9
97.06455	2.3
101.02306	11.6
104.27356	2.0
111.07976	3.1
113.02334	6.6
119.03394	2.7
125.02302	2.8
171.10136	3.3
175.02417	2.6
182.22676	2.0
211.13312	22.1
213.14757	2.3
225.11310	3.1
275.16418	3.6
315.27155	2.5
325.25238	4.5
341.24527	3.0
343.26508	5.7
359.25858	6.0
361.26993	2.9
369.24463	6.0
387.25339	8.0
397.13632	4.8
405.26550	26.0
415.14343	2.5
613.35822	2.8
803.40637	100.0
804.41315	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	803.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.7
59.01256	26.9
59.66607	1.7
61.98706	2.2
63.77118	1.6
69.03316	2.1
71.01263	20.8
71.04915	2.9
71.57696	2.2
71.58072	2.7
72.99171	2.8
73.02813	4.0
75.00772	2.3
78.95769	4.0
79.95609	3.7
79.96094	1.9
82.32069	1.8
83.01234	1.8
83.04891	2.6
84.19587	1.8
85.02832	4.6
85.49657	1.7
87.00760	7.0
89.02325	13.1
91.47806	1.6
95.01232	1.6
96.95897	85.9
97.02824	8.8
97.06468	8.4
99.00762	20.1
101.02321	13.8
113.02345	8.3
119.03395	3.1
122.33294	2.0
123.08009	3.7
123.44621	1.8
125.02354	3.7
125.09605	12.5
134.05995	2.3
143.03421	1.9
157.39261	2.1
161.04477	2.6
163.11252	11.5
171.10173	8.2
181.12259	21.2
183.13817	9.1
185.11737	2.5
193.12297	5.6
199.13383	10.2
207.10214	26.7
208.10350	2.4
209.11874	2.7
211.13347	100.0
212.13719	7.3
225.11284	38.7
225.14763	10.4
235.08134	2.7
243.12369	17.0
243.16006	3.8
252.08582	2.5
253.09338	5.2
255.63147	1.9
269.12909	2.2
341.23428	12.8
366.54080	2.2
379.12573	2.7
397.13535	20.0
415.14771	4.0
479.21362	5.8
591.26398	5.2
683.19452	2.2
738.72797	2.2
785.39661	3.1
803.44421	95.1
804.31628	3.3
804.44781	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	803.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69278	0.7
59.01232	2.5
61.98481	0.7
61.98705	8.7
63.96113	1.2
68.98710	0.8
70.17994	2.6
70.18418	1.6
71.01263	10.3
73.02810	1.7
78.95781	1.8
78.98459	9.5
79.95607	41.2
80.96392	96.4
81.03336	0.9
85.02818	3.3
86.18804	0.9
87.00758	3.6
94.97962	22.2
95.01209	0.9
96.95879	3.0
97.02814	1.9
101.02322	3.9
106.97965	3.3
113.02312	1.2
122.97464	5.1
125.02319	4.7
127.03887	1.4
134.97461	8.1
136.99045	2.0
146.97533	0.9
148.99045	9.7
152.98523	8.2
153.41975	0.8
161.04416	2.0
164.98546	18.3
165.12767	0.8
179.00171	0.8
183.13844	5.5
188.52052	0.7
206.99603	4.2
211.13281	2.6
225.00703	32.0
230.74953	0.8
241.00316	1.2
283.04898	3.6
341.05539	1.3
355.06989	1.2
509.16797	3.4
575.25134	1.4
581.18707	1.2
798.26685	1.0
803.38885	100.0
804.39276	18.9
804.52942	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	803.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01255	22.5
61.98694	0.9
69.03328	1.3
69.48829	4.0
71.01258	14.7
72.01003	0.5
72.99196	1.2
73.02830	3.0
76.34995	0.5
78.95771	0.6
81.03335	0.6
82.49132	0.5
83.01271	2.3
83.04891	0.7
85.02822	3.9
87.00747	2.9
89.02324	11.2
95.01280	0.8
96.95903	1.5
97.02824	2.4
97.06475	0.6
99.00765	2.1
101.02330	9.9
113.02344	9.0
115.03914	0.5
119.03374	2.6
124.01526	0.7
125.02345	3.0
125.09602	1.3
131.03340	0.5
141.01807	0.5
142.33778	0.5
143.03398	2.2
149.04459	0.5
149.30750	0.5
161.04469	3.1
161.06595	0.5
163.11192	0.9
165.12874	0.5
167.14281	0.7
171.10165	1.8
179.05554	2.6
181.12292	1.0
183.13841	7.4
193.12239	2.1
199.13255	0.6
207.10202	1.6
209.11696	0.7
211.13342	100.0
212.13718	4.1
221.06435	0.7
225.11296	2.2
232.67278	0.4
235.08258	2.3
243.12358	1.0
253.09390	1.3
287.07611	0.9
288.25241	0.5
305.08414	0.6
323.10223	0.7
341.23712	0.8
379.12500	3.7
397.13522	21.3
398.14038	1.2
407.63708	0.5
415.14639	5.2
591.26770	2.8
595.34515	0.7
609.27814	3.8
610.27985	0.8
613.35962	5.2
614.36523	1.1
631.36963	2.4
673.37909	1.7
785.40289	0.9
803.44305	7.3
804.44238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53688	8.5
59.01254	14.7
61.98711	100.0
69.48322	9.8
71.01257	20.8
71.57262	12.7
78.95777	15.1
80.96394	23.3
134.37248	8.9
150.28329	9.1
169.76433	8.8
201.09256	9.1
201.11273	27.3
209.11821	52.1
225.00432	9.4
253.09279	17.7
277.21689	88.1
289.18008	48.6
293.21173	37.7
394.32715	11.2
594.14240	10.7
640.36169	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	803.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.2
63.96116	1.7
69.03320	1.0
70.86324	0.5
71.01256	10.3
71.56870	0.7
73.02822	2.1
75.00743	1.0
78.95784	1.1
78.98468	6.5
79.95609	33.4
80.96392	87.9
81.03345	1.3
83.01254	1.0
85.02825	3.6
85.23183	0.5
87.00775	3.5
94.97961	19.4
96.95895	2.0
97.02828	1.9
99.00813	0.6
101.02326	3.0
106.97970	3.2
108.02348	0.5
120.46561	0.5
122.97485	3.8
125.02345	4.9
126.90267	9.0
127.00243	1.0
127.03896	1.6
128.03441	2.3
134.78590	0.5
134.97481	5.8
136.99023	1.9
148.99051	7.7
152.98546	7.7
161.04471	0.9
164.98543	14.4
166.99940	0.8
169.01216	0.6
179.00153	0.5
183.13823	3.1
206.99651	4.0
211.13373	0.9
225.00702	27.3
226.01060	0.7
253.50836	0.5
283.04938	1.9
289.24408	0.6
293.21494	0.7
341.05423	2.2
355.07019	1.1
509.17114	2.4
575.25159	0.9
576.69684	0.6
581.18811	1.3
595.20117	0.8
609.22559	0.9
623.23615	0.8
705.30853	0.7
778.27411	0.5
803.38922	100.0
804.39227	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	801.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.6
58.00475	3.5
59.01250	76.4
69.03323	5.2
70.55070	3.7
71.00892	3.8
71.01256	53.3
72.99178	4.5
73.02808	7.3
75.00748	3.5
81.03332	3.1
83.01262	5.6
83.04896	7.4
85.02813	15.2
85.06435	4.1
87.00744	15.2
89.02316	42.7
93.03338	2.6
96.95879	5.1
97.02834	10.1
101.02317	33.8
109.06480	4.3
111.04379	2.2
111.08024	7.6
113.02336	16.7
119.03378	10.3
119.04882	3.7
123.08054	3.4
125.02350	11.0
125.09592	13.7
137.09564	2.9
143.03407	4.2
161.04480	7.8
171.10185	65.5
179.05496	13.2
185.11803	2.2
205.15961	7.8
209.11755	9.4
211.13316	10.8
215.14436	5.5
221.06555	7.3
221.15593	3.3
226.10695	2.8
231.13840	3.6
233.15405	43.7
234.15942	4.1
235.08179	4.5
249.14925	35.3
251.16492	2.7
263.07773	2.7
331.26334	5.3
341.24738	6.7
357.24445	3.9
359.25861	4.9
367.22797	6.9
375.25388	5.9
379.12262	3.0
385.23871	21.8
386.24017	2.7
393.26257	2.7
397.13480	32.2
403.24890	48.1
404.25272	8.5
415.14426	5.9
421.25943	27.3
422.26114	3.6
773.39221	4.3
783.38086	77.1
784.38440	17.4
801.39160	100.0
802.39404	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	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.6
58.00453	3.3
59.01252	55.5
65.03825	4.2
65.63068	1.0
67.06605	1.0
68.99686	1.1
69.03317	4.3
69.41595	2.2
69.42003	7.7
71.01255	47.2
72.99172	5.3
73.02821	6.6
75.00749	1.7
81.03339	1.9
83.01254	6.3
83.04897	6.6
85.02818	12.6
85.06467	1.8
87.00748	10.1
89.02320	30.5
91.05409	1.3
95.01271	3.3
95.04928	1.8
96.95887	1.7
97.02825	8.1
97.06469	5.3
99.00758	3.2
101.02322	27.3
108.36357	0.9
109.02848	1.8
109.06503	2.4
109.25680	0.9
111.08020	4.1
113.02327	15.7
119.03403	6.9
119.04916	2.8
123.08011	4.0
125.02326	8.4
125.09618	16.6
131.03358	1.4
135.08011	1.2
137.09573	1.8
139.04036	1.0
143.03371	4.2
145.02766	1.2
161.04466	5.4
171.10179	32.3
172.10649	1.8
179.05550	9.5
183.13805	1.6
185.11836	1.6
187.09648	2.6
187.14900	1.2
189.16345	2.0
201.12773	1.5
205.15915	2.4
207.13907	1.3
209.11789	11.8
211.13339	18.8
215.14360	9.9
221.06624	6.6
231.13829	3.0
233.15421	60.0
234.15923	4.9
235.08177	2.6
235.13406	1.6
235.17143	1.5
249.14903	15.6
251.16425	3.4
263.07776	2.2
280.81290	1.2
331.26361	2.6
341.24805	5.4
357.24698	1.4
359.25980	1.4
367.22638	3.0
375.25140	2.8
377.26804	1.2
379.12396	4.0
385.23859	21.4
386.24142	3.3
393.26559	2.8
397.13495	20.8
403.24896	39.1
404.25284	4.4
415.14520	3.9
421.25931	20.0
422.26288	1.6
430.18869	1.1
474.14474	1.0
551.23163	1.2
621.32886	1.2
722.03180	1.1
767.98248	1.1
773.39227	3.5
783.38049	100.0
784.38416	22.1
801.39160	47.2
802.39343	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	801.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
58.00465	1.2
59.01252	100.0
61.98720	1.3
63.00608	0.9
69.03320	2.0
71.01255	47.6
71.57631	1.0
71.58053	1.1
72.99174	2.8
73.02820	13.2
75.00751	1.2
76.07813	0.9
77.43105	0.9
81.03344	1.0
83.01266	7.2
83.04872	1.0
84.99048	0.9
85.02837	12.3
87.00754	3.9
89.02319	21.6
95.01258	4.2
95.04848	1.1
96.95895	3.9
97.02827	2.5
99.00766	2.2
100.32627	1.0
101.02322	24.7
113.02332	31.7
119.03386	8.9
124.01568	2.0
125.02320	4.1
125.09615	4.0
126.10125	1.0
131.03389	2.6
143.03427	6.6
143.04396	1.4
145.90973	1.0
149.04443	3.4
155.03314	0.9
157.71594	0.9
161.04482	10.3
179.05562	7.6
203.05544	1.5
209.11797	4.4
209.13684	1.0
211.13394	5.8
215.14375	2.3
221.06514	2.2
233.15428	12.7
235.08112	1.8
306.07581	2.3
385.23566	4.6
397.13654	2.9
403.24872	4.6
421.26270	1.2
507.99908	0.9
593.33154	1.9
611.34406	14.8
612.33948	1.3
629.35406	7.6
631.19342	1.0
671.36658	4.8
783.38031	24.9
784.38483	3.2
801.39209	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	801.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	7.9
58.32794	5.8
59.01255	67.8
67.01175	5.6
71.01256	43.2
71.57752	7.5
73.02824	11.3
75.00768	9.0
85.02840	23.0
87.00759	26.2
89.02331	41.3
92.76398	6.9
101.02330	38.7
110.22046	5.6
113.02338	19.6
119.03401	9.5
125.02332	9.3
129.01891	9.3
151.00316	20.9
178.99785	15.8
183.13773	11.1
187.03954	8.4
203.03415	12.7
207.60941	6.4
211.13358	84.1
213.14903	35.8
215.03473	11.7
231.03030	13.7
241.14438	100.0
241.16751	11.6
243.02963	9.7
251.13042	13.1
253.14476	17.5
254.22646	6.5
258.41431	6.2
259.02594	25.6
259.13477	10.5
263.12991	11.2
271.02521	23.5
287.02020	33.9
295.10870	17.7
315.01514	82.3
316.02036	17.1
321.08536	10.4
329.02991	8.0
330.03781	93.6
331.04486	28.1
397.13446	86.3
415.14655	49.6
427.39282	9.1
545.17645	7.5
589.16907	14.4
609.27802	25.5
637.71259	6.7
639.28564	70.0
640.29132	9.1
651.29187	10.1
675.29333	9.6
801.20746	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01256	4.7
60.30625	0.6
61.98706	0.7
69.71062	1.4
69.71474	3.3
71.01255	2.0
75.00751	0.9
83.01269	0.7
84.02106	0.8
85.02835	1.9
87.00768	1.1
93.03355	0.9
95.01282	0.8
96.95907	3.9
99.00761	0.9
101.02341	0.9
106.63618	0.7
108.02070	1.5
108.15539	0.6
109.02839	2.1
113.02364	0.7
116.84289	0.6
121.02863	3.2
121.37120	0.6
122.03625	1.2
123.00762	1.6
123.04392	0.7
124.01553	2.0
125.02348	1.2
130.67813	0.6
134.03627	0.7
136.01564	56.6
137.02408	8.3
139.00282	1.2
139.03946	1.2
146.03603	1.0
149.02324	0.9
149.05978	1.4
150.03172	0.6
151.00301	11.1
151.03917	67.6
152.01044	1.4
152.04469	2.2
154.02592	0.8
158.26926	0.7
159.04422	0.9
160.05217	2.5
161.02328	0.8
161.06136	0.6
162.03217	0.6
163.03926	1.6
164.04663	0.6
165.01945	0.8
165.05437	0.7
166.02629	38.0
167.03355	2.3
174.03076	1.0
175.03932	2.9
175.07544	1.4
176.04713	1.3
177.01814	2.4
177.05565	1.5
179.03423	1.2
181.04990	46.9
182.05336	0.9
189.05490	3.4
190.02660	0.8
190.06290	2.3
191.03423	2.6
192.04147	0.6
193.04979	1.4
195.02948	1.1
203.03511	0.7
205.05003	2.4
205.08636	1.2
206.05759	2.2
220.07372	1.7
221.08160	6.4
241.23013	0.7
255.02827	0.9
266.05893	0.9
282.05502	0.8
294.05356	1.5
297.07877	1.0
309.07727	2.3
324.09967	1.5
327.08792	1.0
327.12384	0.8
329.10370	2.7
339.08548	0.7
342.11105	6.0
343.11722	1.2
357.09677	12.4
357.13501	34.9
358.10071	0.9
358.13855	1.6
369.13458	2.7
371.15085	2.1
372.12109	11.5
373.12659	2.0
387.14496	100.0
388.10709	0.8
388.14966	8.0
401.16132	1.0
417.15845	1.1
565.77228	0.7
567.22168	9.7
568.22516	0.9
579.22290	1.4
597.23407	34.3
598.24109	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	801.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76260	1.8
59.01256	10.6
65.00189	3.0
69.45570	1.8
69.49335	14.9
71.01247	9.0
72.99153	2.3
73.02797	1.8
83.01316	1.9
85.02790	2.5
98.20586	1.8
101.02331	5.1
107.01276	4.8
113.02343	3.2
119.03394	1.9
125.02351	2.4
136.01518	1.8
151.00298	13.3
157.02817	2.3
163.00333	2.4
169.01357	2.2
178.99788	14.9
187.03978	4.8
199.03975	4.0
201.01961	1.8
203.03342	12.0
211.13365	9.3
213.14909	5.3
215.03441	9.8
217.01422	2.2
230.02197	2.2
231.03017	13.6
241.14471	9.9
242.02222	2.0
243.02916	15.7
243.15886	1.9
258.01617	1.9
259.02441	29.0
262.61304	1.7
263.13095	2.2
271.02460	25.1
285.04025	2.6
286.01169	3.1
287.01987	45.1
295.10867	2.8
301.03549	5.8
307.22672	1.8
315.01480	94.1
316.02206	15.3
329.03073	3.9
330.03781	100.0
331.04495	26.6
397.13385	9.6
415.14627	6.6
589.16913	2.9
609.27661	4.1
639.28748	12.7
651.28455	2.1
801.21021	84.6
802.21362	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	801.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.6
59.01257	33.7
66.14529	0.9
70.80659	1.1
71.01258	20.0
71.28825	0.9
72.99192	3.4
75.00749	9.8
75.87222	0.9
81.36226	0.9
83.01289	1.0
85.02828	18.9
87.00768	6.6
89.02316	9.8
95.01265	4.2
98.20585	1.9
99.00764	7.0
99.16307	1.0
101.02319	4.2
113.02342	24.5
117.01811	2.1
117.03324	2.3
119.03457	1.9
119.04926	22.7
129.01797	1.3
145.02864	13.0
146.06078	1.0
163.03915	25.3
163.11201	3.0
164.04254	1.1
175.02451	2.3
207.04988	1.7
207.10193	5.6
228.36420	1.0
237.07700	2.9
249.06206	14.3
250.06688	1.5
267.07208	65.1
268.07651	2.3
278.15302	1.1
281.32550	1.3
387.16617	88.1
388.16855	6.6
413.10892	100.0
414.11240	6.7
503.51111	1.1
634.75232	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	799.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	3.8
69.27872	24.2
71.01237	6.7
73.62985	1.9
74.62229	2.2
75.00741	6.2
78.95779	59.3
78.98434	2.5
79.95606	8.3
80.96395	43.3
87.09428	2.6
92.47517	2.1
94.97936	11.6
96.96829	12.7
97.02795	2.4
101.02352	2.5
116.92743	8.6
117.07005	2.9
122.97461	3.4
127.11150	2.6
148.99051	4.5
152.98422	3.5
152.99544	11.2
164.98515	5.6
171.10088	3.1
201.11263	43.2
202.11586	2.2
209.11768	35.0
210.12125	2.4
211.13388	4.6
223.00087	2.4
225.00670	11.8
227.12904	3.0
241.01151	29.5
255.23277	36.7
259.02164	3.0
277.21701	5.9
287.79483	2.1
407.15015	2.4
709.38239	30.1
710.38684	3.9
781.41028	13.7
799.42303	100.0
800.42175	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	799.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.5
71.01261	3.2
71.20722	0.9
73.02813	0.9
74.84469	0.4
80.96398	1.0
84.81396	0.4
85.02840	0.9
87.00761	0.5
89.02327	1.6
98.52603	0.4
101.02330	2.3
108.08037	0.4
113.02327	1.5
145.04990	0.5
147.10413	0.4
161.04471	0.9
165.12752	0.5
183.13838	5.8
183.20784	0.4
188.94043	0.4
193.12283	1.5
211.13338	100.0
212.13696	4.0
235.08156	3.2
253.09270	7.6
277.21716	74.3
278.22052	4.8
291.32816	0.4
429.21463	1.4
447.22412	6.9
513.30603	0.8
707.43097	0.5
709.38232	0.5
799.43719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.0
59.01253	100.0
60.01604	1.3
68.99687	1.1
69.91573	4.3
71.01256	32.9
72.99189	6.5
73.02827	7.6
75.00747	12.8
83.01260	3.9
85.02823	25.7
87.00758	7.6
89.02319	7.4
89.03838	1.3
95.01271	5.8
97.02856	0.7
98.20555	0.8
99.00764	14.2
101.02317	11.8
103.00256	2.2
111.00784	1.7
113.02332	29.7
115.00285	2.6
117.01868	2.0
117.03366	2.9
119.03394	0.8
120.97415	0.7
121.02866	1.0
122.29681	0.7
123.04459	1.1
125.02379	1.4
129.01836	2.0
131.03395	1.0
132.02077	3.8
133.02884	3.5
134.03632	32.2
135.04425	1.2
143.03439	0.9
145.02901	1.6
147.04401	1.0
148.05255	1.7
149.06015	3.8
154.75320	0.7
160.01578	13.0
161.02362	2.2
161.04443	4.8
174.03217	4.5
175.02399	2.3
175.03886	12.4
177.01790	0.7
179.03304	1.1
191.07066	0.8
193.03433	1.7
193.04994	18.8
193.06758	1.0
202.02730	1.9
210.62621	0.7
215.03571	0.8
217.04921	1.5
221.06155	1.0
223.07666	1.0
229.05052	1.7
235.07870	1.0
237.05493	0.8
239.07054	1.0
249.06023	9.1
250.06413	1.7
251.07207	2.5
261.05722	1.1
263.07147	1.9
264.07932	2.0
265.05130	1.5
265.08655	1.3
266.05963	0.9
267.07080	32.0
268.07306	2.4
272.84503	0.7
277.04999	1.0
279.06723	5.2
279.10330	2.7
280.07462	1.6
282.09048	2.9
289.16675	3.0
291.09116	0.7
293.04700	1.0
293.08029	0.9
294.05609	1.4
294.09012	3.6
295.06015	1.3
295.09372	0.9
297.11249	0.8
308.06998	2.7
309.07739	2.5
317.19775	2.8
321.07745	1.1
322.08301	1.0
323.05676	2.9
323.09369	6.3
324.06177	1.1
335.20749	16.5
338.07993	4.1
339.08783	2.5
341.10400	3.1
353.10254	21.3
354.10757	2.5
366.09796	1.0
371.11496	3.2
377.21747	8.0
381.11945	1.6
425.11172	3.2
443.11932	39.7
444.12375	3.1
485.13409	0.9
526.15900	0.7
571.15344	0.8
573.15619	0.9
585.16119	3.5
591.17072	6.6
603.17169	26.4
604.18152	2.6
621.18115	13.1
622.18793	1.4
633.38617	0.9
651.40155	1.2
661.17474	1.8
663.04822	1.1
767.22058	12.9
768.22687	2.4
779.21881	15.0
780.22595	3.3
796.44385	1.6
797.22961	19.5
797.34656	0.9
797.46497	1.8
798.23157	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	795.453
Annotation	Clethroidoside H
Peak:m/z	Relative Intensity
57.03317	1.6
57.36968	0.4
58.00457	1.1
59.01253	21.5
61.98687	0.5
62.87420	0.3
66.90042	0.4
67.01746	0.6
68.99703	2.4
69.03316	0.5
69.42893	3.7
71.01257	28.4
72.01611	0.5
72.99193	2.6
73.02818	3.3
75.00748	16.0
83.01257	4.3
84.02068	0.4
85.02827	14.8
87.00739	1.7
89.02315	10.7
89.24819	0.4
95.01263	5.3
96.95882	1.0
97.02831	0.7
99.00761	15.5
101.02320	12.7
111.00766	0.6
112.01540	0.6
113.02338	10.9
116.59680	0.3
119.03377	3.3
139.00230	0.6
157.01358	1.7
161.04437	1.0
165.01846	0.9
195.06619	0.4
199.64261	0.4
279.07410	0.6
369.87173	0.4
398.77600	0.4
411.32690	1.1
413.34302	0.5
455.35263	4.2
519.25641	0.4
525.32965	0.5
525.38977	2.1
547.34717	0.5
615.39233	0.8
633.39661	0.5
713.25830	0.9
795.45343	100.0
796.45813	18.1
804.23651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	25.3
65.00187	8.0
71.01254	7.7
85.02844	8.7
87.00760	8.3
93.03352	5.5
95.01243	5.1
100.50093	4.6
107.01288	9.7
121.02843	8.7
123.00790	5.4
125.02308	9.1
134.02386	13.5
137.02350	10.3
151.00294	40.2
151.03830	6.8
162.01904	28.6
163.06078	6.5
164.03455	21.0
169.01283	6.2
177.01813	35.4
178.99829	12.2
186.01924	22.9
190.01289	7.6
193.01315	5.4
204.02927	29.4
211.04024	7.8
227.03436	17.5
241.05183	7.4
255.03105	24.0
256.03629	5.8
266.04523	11.7
267.02939	10.6
269.04489	26.3
270.04251	7.0
271.02408	13.4
279.02887	9.7
283.02573	9.0
284.03223	21.9
285.03754	10.2
294.03961	11.9
295.04904	10.8
297.04025	19.7
300.02646	7.9
301.03510	35.4
305.03339	5.9
306.04089	22.7
323.04279	37.5
324.05075	100.0
325.05594	9.0
340.04532	9.7
341.05453	47.5
342.05832	8.9
676.20831	18.9
778.21887	43.2
779.22021	9.7
796.22693	49.3
797.23480	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	795.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
58.00460	1.2
59.01254	26.3
61.98696	1.0
68.99689	2.0
70.34485	1.3
70.34880	2.9
71.00848	1.4
71.01250	29.6
71.20167	0.7
71.74808	0.7
72.01566	0.7
72.99178	13.5
73.02819	2.4
73.99526	0.8
75.00746	14.2
78.83066	0.7
78.95793	0.9
83.01272	2.2
85.02830	14.7
87.00748	4.4
89.02319	15.2
95.01270	5.2
99.00766	14.0
101.02325	13.6
111.00780	0.9
113.02332	15.0
115.00251	1.2
119.03404	2.1
125.02294	0.9
129.01826	0.8
131.03343	1.0
133.01331	1.0
139.00334	1.0
149.04434	0.8
157.01393	2.0
161.04503	0.8
169.86270	0.8
241.57097	0.8
468.52115	1.0
503.66141	0.8
647.37500	1.0
795.45258	100.0
796.45453	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	795.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.8
62.57834	2.6
69.03341	3.0
69.55881	23.2
71.01257	11.1
72.99157	4.3
73.02827	3.4
78.95785	5.7
85.02779	2.8
87.00751	2.6
89.02312	7.0
96.95898	4.9
97.65652	2.6
101.02320	6.6
113.02320	4.4
117.58301	3.6
138.83496	2.8
143.63452	3.2
143.88197	2.4
152.59775	2.6
152.99506	4.7
161.04474	3.0
171.10228	4.6
179.14360	5.2
189.46390	2.6
195.13797	16.1
199.09619	3.1
201.11249	7.6
205.12283	8.3
209.11771	8.2
211.13304	17.1
223.13342	100.0
224.13724	5.7
225.11218	3.4
227.12862	8.5
235.08247	5.5
237.11197	5.4
253.09265	19.9
259.28143	3.0
275.20181	5.0
277.21771	32.6
278.22012	4.1
293.21231	87.4
294.21500	6.8
455.22607	3.1
459.22040	16.7
461.19516	5.3
462.19254	3.3
520.22797	3.0
529.30090	3.1
537.32050	2.8
621.27277	4.5
622.27472	11.3
623.27911	24.2
751.42487	5.8
795.43347	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	795.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
58.00460	1.4
59.01253	24.1
68.99686	1.7
71.01256	26.7
71.34835	1.0
72.99181	3.1
73.02805	2.4
75.00749	12.1
83.01264	2.8
83.04914	0.6
84.01998	0.8
85.02826	16.7
85.99958	0.7
87.00755	5.5
89.02319	10.3
93.03319	0.6
95.01261	3.1
96.95885	2.5
99.00760	20.3
101.02354	3.9
111.00761	0.7
112.01525	0.7
113.02335	13.0
122.05981	0.8
131.03386	2.7
134.03621	0.9
149.02373	1.0
149.04509	0.7
150.03123	1.7
157.01263	1.4
160.01561	1.0
165.05475	1.7
171.10210	1.0
174.01610	0.9
175.03993	1.0
195.06714	0.7
264.45636	0.8
306.41058	0.7
326.01242	0.7
332.79913	0.7
439.32156	1.3
455.31595	1.8
467.31635	0.6
485.32330	1.4
487.34470	5.4
488.34686	0.9
569.34912	1.6
581.92194	0.7
601.37585	2.6
645.36493	4.3
646.36865	1.1
662.05817	0.6
697.32458	1.2
795.41754	100.0
796.27515	1.2
796.42096	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	795.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	10.8
61.98709	1.5
70.67023	1.3
71.01244	7.4
71.02370	2.9
72.00793	3.5
72.99161	1.8
74.02345	4.6
75.00762	3.0
82.06498	2.4
85.02812	4.6
87.00751	5.0
89.02329	3.4
93.03351	8.2
96.95874	8.7
99.00749	5.1
101.02326	2.5
102.63689	1.5
106.04132	1.8
107.04925	2.3
110.06011	1.6
111.01891	19.7
113.02361	4.3
113.07075	8.6
117.03347	2.1
118.06498	3.0
119.04908	20.0
125.09615	4.7
127.08686	5.6
129.10213	11.2
130.51837	1.3
131.04945	1.8
134.05988	3.7
136.07605	3.6
139.08644	2.6
146.06056	2.8
147.04480	1.3
151.04958	1.4
153.06612	6.0
153.76468	1.2
155.08171	14.5
163.03922	15.5
164.07056	1.6
167.04617	1.8
167.08168	3.3
171.10249	1.5
174.01575	2.8
176.40582	1.6
179.35931	1.3
180.06589	42.2
181.06966	2.4
181.13371	4.4
187.05026	1.5
187.09715	3.1
193.23405	1.2
213.14005	1.8
215.08270	1.9
216.13779	1.6
224.14032	6.7
241.13286	1.7
242.11810	4.4
243.11372	4.3
247.14513	1.6
249.16092	5.9
257.13068	1.7
258.08768	2.0
259.14438	7.9
260.14011	1.4
267.07135	1.7
270.49094	1.3
270.71634	1.7
276.17258	1.5
293.15125	3.8
301.91016	1.4
304.16739	1.6
371.20776	8.3
379.20306	5.9
396.22922	2.0
440.21924	5.3
491.23138	1.9
551.28723	29.9
552.29004	6.3
578.27600	3.5
579.28125	1.8
648.34888	1.9
795.40936	100.0
796.41125	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	795.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
59.01252	100.0
60.01598	1.0
61.98707	0.5
67.87254	0.4
70.84846	0.4
71.01257	2.8
73.93938	0.5
76.85029	0.4
85.02844	0.7
87.00775	0.9
89.02309	2.3
89.22237	0.5
96.95921	0.9
97.02829	0.6
101.02337	1.9
113.02354	1.3
116.92702	0.8
119.03362	0.6
125.02355	0.9
141.01604	53.0
143.03424	0.7
170.10612	0.5
178.19142	0.5
230.09328	0.5
235.08170	0.9
243.04817	0.7
255.23302	6.9
256.23572	0.7
283.86331	0.5
324.33542	0.5
337.23593	3.8
397.13580	9.1
398.13904	0.8
415.14746	1.9
419.11618	2.9
437.12662	4.0
653.38031	0.9
675.36005	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	795.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	12.3
66.03359	1.8
71.01254	11.4
71.02366	4.7
71.58163	2.4
72.00782	4.3
73.02785	1.7
74.02347	3.1
75.00749	5.3
76.01095	1.6
78.95811	1.7
82.06518	2.5
83.04851	1.9
85.02826	8.5
87.00727	9.0
88.98676	2.2
89.02323	2.8
89.07587	1.7
93.03340	7.0
96.00803	2.1
96.95862	3.6
99.00762	4.2
101.02344	4.3
105.77393	1.5
111.01888	17.5
113.02326	9.6
113.07087	6.4
116.05027	1.8
118.06507	1.9
119.04928	18.1
121.02871	2.3
125.09632	1.7
127.08673	5.4
129.10258	9.2
134.06030	3.9
136.07576	3.5
143.11734	1.4
145.02898	2.8
146.06062	1.9
151.05016	2.2
153.06596	5.4
155.08151	11.4
160.04021	1.4
162.05464	1.5
163.03955	13.6
167.08156	1.9
174.01588	1.5
180.06590	39.8
181.13431	3.8
183.13911	2.0
206.12849	1.7
216.13811	1.6
224.13940	5.6
242.11919	3.8
243.11403	3.1
249.16032	5.5
257.13184	1.7
259.14478	6.7
278.68323	1.7
293.15109	4.5
297.07761	1.8
304.16702	1.7
371.21048	9.2
379.20480	5.1
396.22729	1.9
432.27612	2.2
440.21823	3.0
491.22519	1.8
551.28760	23.7
552.28583	5.0
578.27545	3.2
751.37915	2.1
795.41016	100.0
796.41510	19.3
813.60760	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	793.4416
Annotation	A 77003
Peak:m/z	Relative Intensity
63.96110	2.1
69.51540	11.5
71.01265	8.5
71.19596	1.8
73.02799	1.6
78.98462	5.2
79.95602	14.2
80.96392	86.0
82.59074	2.1
87.00777	2.6
93.20553	1.8
94.97959	19.8
101.02309	3.5
106.97966	2.7
122.97442	4.0
125.02334	3.5
127.03859	1.7
130.38811	1.8
134.97476	3.8
148.99055	5.8
152.98532	6.0
157.07483	2.0
164.98538	15.8
167.00055	1.8
183.13712	3.7
186.47729	1.9
206.99620	3.4
225.00703	28.9
225.41899	1.7
262.60559	2.2
283.26559	3.0
488.28848	1.8
509.16635	3.1
669.99500	2.3
793.44073	100.0
794.44464	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	795.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15615	0.8
59.01250	100.0
70.86230	1.1
70.86568	1.7
71.01265	3.1
78.95779	0.8
85.11465	0.7
89.02340	2.1
96.43156	0.7
97.02801	0.9
101.02335	3.0
113.02306	1.4
119.03444	0.9
141.01595	50.7
171.10217	3.1
180.32350	0.7
193.99548	0.8
209.11815	1.6
235.08212	1.5
253.09282	0.9
255.23232	6.9
261.57782	0.9
268.83511	0.7
277.21667	5.2
278.22116	0.9
337.23535	5.2
397.13458	9.9
415.14545	2.1
419.11768	1.7
437.12851	3.9
473.08871	0.8
675.35968	2.9
795.44806	1.3
796.44348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.438
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03325	2.9
58.00469	1.4
59.01256	27.5
60.01583	0.9
61.98708	1.8
68.99700	1.7
69.90015	1.0
70.72378	0.8
71.01252	22.8
71.58504	1.5
72.99177	4.7
73.02811	2.3
75.00748	29.7
78.95779	1.1
83.01250	2.6
83.04926	1.2
85.02825	19.7
87.00758	3.6
89.02311	7.7
95.01261	5.3
95.45295	0.8
96.95876	2.1
99.00761	10.1
99.04388	1.2
101.02322	11.2
111.00794	1.0
112.01525	1.0
113.02343	12.8
119.03394	1.4
125.02351	0.8
129.01817	0.8
151.00298	0.9
157.01274	1.8
165.01823	1.0
171.09958	0.8
211.13319	1.5
295.22708	1.2
453.33969	1.4
455.35370	2.1
499.28729	1.6
500.29260	2.2
501.29846	3.4
523.38251	1.1
553.22406	1.0
569.38477	5.0
570.38989	6.2
571.39148	8.8
613.38007	1.5
631.38373	2.9
667.73950	1.1
749.36243	5.2
793.43860	100.0
794.44220	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	793.4405
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03316	2.9
59.01250	20.5
59.11322	0.6
61.98701	0.8
68.99685	1.9
71.01255	22.3
72.99174	2.7
73.02808	3.1
75.00745	12.2
83.01256	3.0
85.02821	13.1
87.00756	1.9
89.02319	6.1
95.01263	4.7
96.56355	0.6
96.95884	0.7
99.00755	17.4
101.02323	10.0
113.02333	8.0
119.03375	1.2
122.47514	0.7
139.00261	0.9
151.62057	0.8
157.01312	2.1
158.68489	0.9
161.04407	1.0
209.11681	1.2
211.13298	0.8
260.72177	0.8
284.31253	0.7
293.21167	2.0
294.96249	0.7
339.26913	3.1
414.45740	0.7
437.34302	0.9
453.33868	1.9
455.35303	1.1
523.37592	2.0
569.38593	1.4
595.36182	1.1
599.28882	0.9
613.37531	2.4
631.38489	1.0
633.38507	0.9
775.42487	1.0
793.43793	100.0
794.44055	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	793.4379
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03318	2.0
58.00436	1.0
59.01250	26.8
59.41950	0.8
62.01878	0.8
66.81158	0.8
68.99686	2.4
71.01254	26.4
72.99163	2.0
73.02808	1.7
73.20618	0.8
73.30149	0.8
75.00745	11.9
83.01246	2.6
83.83350	0.9
83.86350	0.9
85.02824	12.8
87.00764	1.5
89.02313	8.1
95.01279	6.3
98.19774	2.5
99.00764	16.3
101.02322	7.2
102.76560	0.8
113.02352	7.9
119.03334	2.3
157.01334	1.6
181.17039	0.9
453.33844	4.1
455.35355	3.3
495.45465	1.0
523.37677	2.1
537.35980	1.3
569.38385	3.3
613.37524	4.0
614.38306	1.4
731.44189	1.1
736.07709	1.0
793.43744	100.0
794.44165	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	793.4381
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03321	5.2
59.01255	15.3
61.98707	0.7
67.01745	0.7
68.99700	1.2
69.37755	2.5
69.38177	3.5
71.01260	15.8
72.99178	3.2
73.02823	2.3
74.61713	0.7
75.00751	33.8
83.01263	3.0
84.02082	0.7
85.02828	24.3
86.03217	0.7
87.00754	2.5
89.02337	4.4
92.89901	0.7
93.52493	0.6
95.01273	4.0
96.95881	1.8
99.00775	8.7
101.02328	3.8
112.01561	1.0
113.01540	1.0
113.02332	13.9
117.01826	0.7
134.04669	1.2
136.11490	0.7
157.01291	1.2
175.02428	1.0
199.77139	0.6
211.13327	1.2
272.90729	0.6
276.01297	0.8
424.80057	0.7
453.33829	1.6
455.35306	4.9
569.38422	4.7
587.39221	1.0
613.37567	3.0
615.35980	0.8
631.38416	4.9
632.38763	0.9
632.95825	0.8
658.35443	1.5
749.35724	1.4
764.47607	1.0
787.10406	0.8
793.43799	100.0
794.44214	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.1
58.00454	1.1
59.01251	21.9
68.99691	1.5
71.01254	23.1
71.35596	0.7
72.99172	1.9
73.02811	0.9
75.00749	9.5
83.01244	2.0
85.02834	7.5
87.00742	1.6
89.01818	0.8
89.02318	9.3
95.01263	3.2
96.95860	0.9
97.02799	0.4
99.00758	16.7
101.02322	2.8
104.73373	0.4
105.89988	0.4
108.02063	0.5
111.00741	0.5
112.01559	0.9
113.02335	3.9
115.00220	0.7
131.03389	0.9
157.01317	1.2
171.10149	1.9
200.54199	0.5
211.13335	0.9
232.24580	0.4
233.15399	0.5
241.14397	0.6
358.49814	0.4
372.29132	0.5
439.32199	1.6
441.33749	2.6
483.31226	1.5
485.32895	2.1
523.34174	1.4
553.35248	1.8
555.37000	2.0
599.35846	4.9
600.36749	0.8
617.36188	0.7
643.34857	6.8
644.35144	1.1
731.40167	0.7
793.40198	100.0
794.40533	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	793.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.6
59.67394	2.5
61.98705	2.7
71.01258	27.2
71.57142	4.0
75.00735	3.9
78.66099	2.2
78.95771	3.6
81.01422	2.3
83.01310	2.8
89.02322	4.7
93.09742	2.5
99.00733	5.1
101.02326	7.5
109.06499	4.0
113.02363	5.1
149.96326	2.4
163.11230	3.3
171.10219	22.7
183.01239	3.0
199.09673	18.0
199.13245	3.6
201.11261	35.4
207.10190	18.1
207.88855	3.5
223.13295	6.3
225.11273	22.2
235.08167	8.1
253.09268	16.3
254.34628	2.7
277.21725	100.0
278.22055	7.1
291.19580	4.8
311.16809	8.8
393.24527	2.8
461.20087	5.0
481.47141	3.0
621.26306	3.8
695.39661	6.0
721.42444	3.2
739.42706	6.1
757.43927	7.4
793.42877	14.9
794.42358	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	793.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
58.00468	1.5
59.01253	26.4
61.98674	0.4
67.01762	0.4
68.22336	0.4
68.99686	2.4
69.03314	0.4
71.01256	27.6
72.01571	0.4
72.99177	2.2
73.02820	2.1
75.00747	10.3
83.01246	2.9
85.02827	11.3
87.00756	2.6
89.02321	10.1
95.01266	4.6
96.95878	1.2
97.02813	0.6
99.00761	17.3
101.02327	11.1
110.64490	0.4
111.00691	0.4
112.01585	0.7
113.02332	9.3
115.00269	0.5
119.03383	2.5
129.01836	0.4
131.03400	0.7
139.00269	0.6
157.01328	1.5
161.04402	0.7
280.23700	0.4
288.96484	0.3
409.34665	2.0
453.33533	1.9
454.34137	0.6
455.35837	0.5
498.42847	0.4
523.38025	1.6
524.38501	0.5
560.73486	0.4
595.36743	0.6
613.37317	1.1
749.44818	1.1
763.61621	0.4
793.43781	100.0
794.44092	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
57.49340	0.1
59.01266	0.8
64.43612	0.2
71.01257	0.6
71.57398	0.2
72.04411	0.1
72.99187	0.2
73.02821	6.4
75.00751	1.5
78.45840	0.1
87.00755	0.2
89.02319	0.3
99.00750	2.4
99.92463	10.1
100.92480	0.3
114.93309	0.5
115.00295	0.4
116.03440	0.6
116.92750	100.0
117.01826	12.1
117.05462	0.7
117.92760	4.3
148.48572	0.2
155.70166	0.2
168.94453	0.2
192.73338	0.2
277.21698	0.3
397.13675	0.5
455.05057	0.2
569.18091	0.2
793.44061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.2
59.01252	1.0
59.74739	0.2
61.98697	0.2
69.66416	0.8
69.66825	0.3
71.01248	0.7
73.02821	4.4
75.00749	0.8
89.02332	0.3
98.02319	0.2
98.19870	0.4
99.00751	2.4
99.43014	0.2
99.92464	10.6
100.92491	0.5
101.02364	0.3
108.48765	0.2
109.24915	0.2
113.02316	0.3
114.93307	0.7
115.00268	0.2
116.03441	0.3
116.92749	100.0
116.97112	1.0
117.01826	9.0
117.05453	0.5
117.84122	0.1
117.92754	4.4
118.05082	0.2
139.32861	0.2
191.51566	0.2
204.54031	0.2
208.73180	0.2
253.09276	0.2
277.21793	0.4
308.29227	0.2
309.67023	0.2
318.20724	0.2
397.13226	0.2
459.12698	0.2
748.89044	0.2
793.43512	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	793.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71635	0.8
57.03315	2.0
59.01254	21.6
66.29920	0.7
69.36518	5.2
69.36935	2.8
71.01257	38.3
72.99184	100.0
75.00743	2.3
78.65189	0.8
83.01235	1.0
85.02830	15.6
87.00739	2.5
89.02322	25.3
95.01249	1.0
96.95828	0.9
99.00786	1.4
101.02315	1.8
113.02337	20.8
115.00242	1.1
131.03392	3.2
133.01340	11.4
135.83459	0.9
149.04436	6.0
166.50217	0.7
187.79417	0.9
307.06802	8.8
325.07819	7.2
369.57559	0.8
423.32855	1.6
438.30615	0.8
485.32587	5.3
501.30606	1.1
793.40216	90.0
794.40485	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	791.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	22.1
71.01273	23.7
71.57450	28.3
71.66208	20.9
78.95782	28.4
80.96384	36.9
95.27983	20.9
96.95876	44.7
152.99490	29.8
209.11763	100.0
227.13055	21.7
249.11032	39.2
277.21707	84.5
279.19781	47.9
293.21219	92.5
310.51257	30.0
415.33591	22.4
423.44696	22.1
791.43420	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	793.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.4
71.01235	2.9
72.99191	3.7
96.95888	1.3
98.20552	4.1
99.00806	1.4
101.02335	1.7
110.40707	1.3
140.98189	1.4
170.99297	1.7
171.10135	1.8
172.00114	7.0
199.09610	1.3
201.11288	1.5
207.10266	1.9
223.13322	3.5
225.11311	1.6
229.80757	2.6
235.08189	1.7
253.09238	1.4
277.21637	9.0
291.19568	5.7
311.17081	1.9
338.66583	1.3
460.19064	11.8
461.19641	10.5
474.20419	2.2
475.21606	6.4
476.21698	1.9
519.20355	16.2
520.20551	1.6
534.23004	2.6
543.49329	1.4
589.24677	3.0
590.24768	1.7
621.27155	100.0
622.27454	18.6
793.42944	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	793.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.2
59.01255	50.8
66.73553	1.8
69.25542	9.0
69.25968	13.4
71.01260	4.8
72.91870	1.9
73.82152	1.8
80.04935	3.8
82.02856	1.9
82.26751	1.9
94.02871	16.3
95.11700	2.3
96.95908	3.5
99.04450	2.5
101.02308	4.2
104.04957	2.7
106.06523	8.8
108.04436	2.8
120.04444	2.7
120.08133	2.3
121.02833	2.3
122.06041	6.8
134.06015	33.8
134.34010	1.9
136.03963	2.4
138.05510	8.5
146.05878	2.0
150.05510	3.9
152.07069	5.7
160.03996	2.5
180.06538	2.7
188.07071	4.7
190.04985	3.1
201.10301	6.0
213.10344	5.6
223.08771	2.5
225.10287	4.2
227.11838	5.4
229.09842	8.1
229.13432	4.0
237.10373	3.4
239.11853	5.9
241.01196	1.9
249.10442	3.0
250.07460	2.4
251.08224	4.6
251.11798	2.2
253.09802	6.4
255.11394	4.2
257.13086	4.3
263.08182	3.1
265.09784	9.7
266.10513	2.3
267.11459	5.4
273.12350	3.3
274.40958	2.0
277.09836	7.1
278.06940	9.1
278.10617	3.8
279.07825	7.0
279.11392	3.7
284.28470	2.3
291.07968	3.2
291.11615	2.2
292.08771	2.4
293.09317	27.6
294.09952	7.7
295.10892	9.1
301.11868	15.2
305.09393	6.2
306.09998	2.6
307.10925	6.3
319.13049	20.5
321.12537	2.4
327.13373	4.5
337.08286	14.8
337.11884	4.0
338.08752	3.2
355.13199	3.5
356.13840	3.3
358.11829	3.4
370.15695	3.8
374.15222	5.3
377.33694	2.2
392.16391	4.1
398.14908	3.1
413.17648	2.4
416.16141	4.7
426.14783	4.1
442.17520	7.0
445.16306	2.0
456.18811	2.1
474.20010	2.8
486.16833	4.1
516.21655	6.2
519.20361	2.9
534.22620	9.3
545.17523	4.1
546.18976	9.8
560.20319	33.3
561.20129	3.5
581.23993	7.4
592.23175	39.3
593.23438	5.8
599.25214	3.3
604.55237	2.3
613.26532	2.8
623.25366	4.8
625.22760	4.3
641.26105	16.9
657.25256	11.4
667.23749	3.3
673.29352	11.1
685.25122	16.6
689.27826	3.7
699.26569	9.0
717.27808	100.0
718.28308	12.5
749.30450	17.0
750.29706	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	791.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03314	1.8
58.00463	1.2
59.01254	24.0
60.81963	0.7
61.98709	0.9
68.99689	2.1
69.03293	0.9
71.01257	29.7
71.06227	1.4
72.01588	0.9
72.99175	3.3
73.02821	1.7
75.00754	11.5
77.72613	0.7
78.95782	0.9
83.01250	3.1
85.02341	1.2
85.02825	13.6
87.00750	2.8
89.02319	10.5
95.01268	5.1
96.38263	0.7
96.95940	1.0
97.02834	1.2
99.00169	1.1
99.00767	14.6
101.02331	11.8
101.02982	0.9
113.02342	9.9
119.03392	2.9
123.20431	0.7
125.02325	0.6
129.01935	0.9
139.00308	0.8
143.03352	0.7
157.01328	1.8
161.04477	0.8
171.10201	1.2
211.13350	1.0
261.22653	0.6
451.32312	0.7
453.33716	2.3
482.98950	0.7
521.36237	1.4
611.35883	1.0
647.37988	1.0
791.42255	100.0
792.42633	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	791.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31532	0.5
57.03328	33.0
59.01253	7.5
61.98705	1.0
71.01263	3.6
73.02803	2.6
75.00744	0.9
78.95754	0.7
80.42819	0.5
81.03344	2.2
83.01259	1.3
85.02821	1.2
85.82354	0.5
96.95898	2.4
99.04404	23.0
100.04819	0.6
101.02315	9.1
108.27165	0.5
113.02325	1.5
113.05974	0.7
116.92724	1.0
123.04431	1.5
125.02345	28.4
126.02689	0.8
128.30974	0.4
143.03400	1.6
161.04456	0.7
195.35126	0.6
203.05556	1.0
229.74117	0.5
264.40958	0.5
305.08771	6.1
421.30499	0.7
423.32635	2.1
425.32568	0.6
439.32242	2.2
485.32755	100.0
486.33124	11.7
499.34097	2.9
527.33789	17.4
527.41797	0.8
528.33917	2.9
545.63751	0.6
629.36853	1.5
647.37970	22.6
648.38013	3.7
689.39209	14.6
690.39337	1.9
729.42188	2.6
791.42389	8.1
792.42798	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	791.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01251	55.2
61.98704	2.0
69.03324	1.6
70.54504	3.4
71.01257	26.7
72.99187	3.0
73.02814	14.3
75.00732	1.2
78.95798	2.0
81.03335	1.2
83.01246	6.0
85.02832	8.7
87.00733	3.7
89.02316	7.4
92.36456	1.0
95.01279	1.4
96.95885	10.7
97.02829	1.4
98.95464	3.1
99.00733	3.1
101.02329	16.6
113.02349	9.7
116.92724	1.5
119.03360	3.0
124.01536	1.0
125.02330	1.9
143.03540	1.3
149.05962	1.1
152.19142	1.0
161.04529	1.5
168.32399	1.0
171.10170	5.8
195.13771	1.0
199.13463	1.4
201.11192	1.5
209.11780	1.2
211.13330	4.4
223.16986	2.5
253.09387	1.1
277.21722	8.5
278.91110	1.1
295.22891	6.9
380.44211	1.1
397.13116	1.8
439.26642	4.9
457.28104	13.5
458.28036	1.9
481.28326	5.4
499.29141	100.0
500.29431	14.9
569.38727	14.4
570.39246	1.2
608.03784	1.4
791.43805	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	791.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.0
57.03322	2.2
59.01255	46.6
65.21104	1.3
66.76594	1.4
67.01770	1.5
68.99689	1.4
69.03332	2.4
70.17374	6.1
71.01260	38.4
72.99174	8.6
73.02820	17.0
75.00746	19.8
75.11996	1.3
81.03333	1.7
85.02828	25.0
87.00745	6.8
89.02321	7.7
95.01255	5.5
96.95894	7.0
97.02855	2.0
99.00751	10.6
101.02328	11.4
106.46722	1.2
109.06529	1.5
111.00775	1.7
113.02337	22.5
115.00284	3.3
117.01824	2.9
117.47947	1.3
125.09554	1.5
129.01862	1.5
131.03416	2.2
134.04622	3.0
149.02243	1.4
157.01195	1.5
171.10136	1.7
175.02483	1.3
183.13786	4.9
210.63545	1.3
211.13406	6.6
225.11255	1.9
249.06122	9.0
253.09384	2.3
267.07153	3.4
275.20175	6.1
293.21143	4.4
497.27646	3.5
525.27313	3.1
543.32141	1.8
647.37708	2.0
657.34650	4.0
729.33771	3.5
747.34448	100.0
748.34631	20.4
791.41730	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	789.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04555	0.2
59.01242	1.0
61.98685	0.2
65.44146	0.1
71.01260	1.4
71.57719	0.3
73.02865	0.2
75.00732	0.2
78.95771	1.6
79.95603	3.3
82.95270	0.1
85.02818	0.4
89.02315	0.4
89.83631	0.2
90.44510	0.1
96.95889	100.0
97.95829	0.4
99.00750	0.4
101.02345	0.4
113.02351	0.3
118.96500	0.2
171.10147	0.4
183.46223	0.2
197.11829	0.3
199.13316	0.2
207.10280	0.2
209.11713	0.4
211.13324	0.4
213.07248	0.2
225.11302	0.4
227.03276	0.2
227.12993	0.2
253.09349	0.3
293.21271	1.0
327.21606	0.4
354.10214	0.2
397.13654	0.3
415.14505	0.3
435.08270	0.4
453.09259	3.0
454.09506	0.2
556.80560	0.2
617.73218	0.2
715.42145	0.2
729.30475	0.3
737.63135	0.2
789.44080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03325	2.8
59.01252	9.2
69.03303	0.9
70.64701	2.0
71.01254	6.0
71.04893	3.6
71.64301	0.6
72.99191	1.2
73.02822	1.5
80.91576	0.7
82.93701	0.6
83.01254	1.0
83.04900	1.1
84.02038	0.6
84.62100	0.5
85.02806	2.9
87.00758	1.2
89.02316	2.1
89.28963	0.6
94.30379	0.5
94.58420	0.5
95.04893	1.5
96.95896	8.5
97.02834	4.2
97.06460	4.9
99.00766	16.1
101.02337	4.7
109.06482	1.5
110.03619	1.1
113.02314	2.1
119.03385	1.0
123.08019	2.2
125.09623	8.9
127.11193	1.4
135.08055	0.9
155.10777	0.7
155.14372	0.6
163.11206	10.3
165.12732	0.6
169.12195	0.6
169.88350	0.6
171.10182	6.0
181.12277	16.9
183.13844	1.6
185.11823	0.7
197.11789	2.2
199.13358	10.9
201.11192	0.6
203.10782	0.6
207.10222	25.0
208.10544	1.5
209.11777	1.5
210.20491	0.8
211.13358	9.2
221.11835	1.7
225.11285	30.8
226.11630	1.5
229.14380	6.7
239.12779	1.0
243.12354	18.9
253.09238	2.9
291.19611	1.7
309.20807	1.9
327.21768	11.6
328.22073	0.7
383.24966	0.5
388.77994	0.5
397.13409	0.6
437.12680	1.3
461.20447	1.7
479.21246	7.1
497.27350	0.7
563.31451	1.2
789.42816	100.0
790.43237	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	787.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	25.0
61.98697	11.9
64.11592	3.7
71.01254	19.1
71.57840	5.5
72.99171	4.4
73.02829	5.0
85.02813	6.9
87.00764	7.4
89.02343	5.2
89.40078	3.2
96.95899	13.5
97.02850	7.6
101.02351	10.6
111.08115	3.8
139.74229	3.5
161.04521	3.6
163.11269	4.5
165.12881	4.1
169.12267	100.0
169.95190	3.6
170.12688	4.2
171.10196	38.5
180.81184	3.2
183.13852	15.6
185.11856	5.4
197.11754	18.0
201.11295	4.3
209.11809	18.3
211.13368	12.3
225.11247	4.1
226.40712	3.4
227.12848	8.6
230.64534	4.4
235.08217	14.9
253.09218	26.2
284.34979	3.6
289.17963	4.0
291.19809	27.6
309.20706	77.9
310.21201	4.4
317.53516	3.6
405.21436	11.4
527.28400	7.4
545.29449	5.3
645.36481	4.4
648.33130	3.8
727.35846	9.1
728.34546	4.8
741.41022	8.3
760.43079	5.3
787.44092	19.5
805.36981	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	787.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56001	0.9
58.96228	0.8
59.01245	1.3
61.04807	0.7
61.98703	21.4
63.96103	2.0
67.27995	0.8
71.01256	8.4
73.02808	2.2
74.30234	0.8
78.98469	8.8
79.95608	17.5
80.61335	0.8
80.96392	100.0
82.22746	0.7
85.02808	3.4
87.00761	3.9
94.97969	21.8
96.95908	1.9
97.02838	1.8
101.02292	4.2
104.04871	0.8
106.97962	4.6
118.44759	0.8
122.97472	2.8
125.02341	3.4
127.03901	0.8
134.97485	6.9
136.99077	2.0
148.99048	6.6
152.98555	7.6
164.98561	14.5
183.13820	5.8
194.02783	0.9
206.99622	3.7
211.76579	0.9
225.00703	19.8
277.21622	4.5
278.22110	2.2
309.33380	1.0
352.48508	0.9
405.24146	0.8
509.16885	2.4
525.71405	0.9
531.86157	0.9
552.49390	0.9
559.25244	1.4
724.42938	4.6
787.39471	96.7
788.39746	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	787.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01248	1.8
61.98705	2.1
63.96107	2.7
71.01252	9.0
72.99142	0.7
73.02832	2.1
78.91956	0.6
78.98471	7.5
79.95609	15.5
80.96394	100.0
81.03322	1.5
83.01263	1.1
85.02819	2.9
87.00757	5.0
94.97964	22.7
96.95894	2.5
97.02835	1.8
101.01781	0.6
101.02319	3.4
101.76043	0.6
106.97974	5.0
114.47873	0.7
122.97455	4.7
125.02345	4.7
127.03905	0.8
134.97491	6.4
136.99043	1.9
146.97624	0.6
148.99043	7.3
152.98543	9.1
164.98546	17.3
167.00089	0.8
183.13841	3.4
188.98524	0.7
206.99632	3.7
225.00688	21.7
275.20132	1.2
277.21713	1.9
293.21225	0.8
509.16803	1.5
545.48090	0.8
559.26086	1.7
578.31866	0.7
787.39447	96.9
788.39679	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	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95915	0.4
59.01259	3.9
59.90694	0.4
60.49399	0.4
61.98701	1.2
67.56463	0.3
71.01250	1.8
71.58430	0.7
73.02809	0.6
75.00749	1.0
80.96394	0.5
83.01255	0.7
85.02828	1.5
88.98700	1.4
89.02326	0.5
93.03340	4.1
95.01292	0.8
95.04897	0.4
96.95908	1.4
101.02329	0.9
109.02824	1.0
113.02330	1.2
117.03373	0.4
121.02864	6.4
122.03638	13.1
123.00764	0.9
123.04401	0.7
124.01559	1.0
125.02366	0.6
128.03474	0.4
131.04526	0.8
133.02844	1.6
134.03647	0.9
135.04420	1.6
136.01566	13.8
137.02412	2.4
139.03848	0.7
145.02849	0.6
147.04411	0.4
149.02353	17.9
150.03134	97.0
151.00285	4.3
151.03932	14.1
157.01221	0.5
158.58163	0.4
160.05232	0.6
162.03157	0.8
163.03905	0.7
164.04697	4.0
165.05487	100.0
166.02644	9.3
166.05786	4.5
167.03319	0.7
175.03900	1.0
177.01852	1.1
177.05508	0.6
180.04208	6.5
181.04985	11.5
189.05486	1.2
190.06281	1.2
191.03447	0.6
193.04933	0.5
195.06564	98.8
196.06903	5.0
207.06654	0.6
220.07431	0.4
221.08102	0.6
309.07507	0.7
329.10269	0.7
341.10376	0.4
342.10727	0.8
357.09647	3.3
357.13428	9.7
358.13739	1.1
369.13522	0.5
372.11951	1.7
373.12405	0.8
387.14499	29.5
388.14822	2.9
505.18817	0.5
535.19604	4.2
536.20056	0.4
553.20654	1.4
565.20355	0.5
583.21887	10.2
584.22125	1.7
743.36212	1.2
787.34564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.9
71.01250	4.3
73.02837	2.2
75.00745	1.0
77.53651	0.7
83.01302	0.9
85.02839	2.0
89.02334	1.5
93.03335	4.6
95.01302	0.8
95.04923	0.9
101.02341	2.6
108.02072	1.7
109.02900	1.5
113.02357	2.6
121.02852	14.2
122.03642	16.0
122.06007	0.8
123.00761	2.0
123.04456	1.6
124.01594	2.0
125.02376	1.0
132.02052	1.4
133.02853	2.4
134.03647	1.8
135.04422	10.2
136.01564	39.5
137.02383	6.2
139.03918	0.9
145.02858	1.5
147.04387	1.4
149.02361	31.6
149.05988	1.2
150.03140	99.9
151.00276	8.8
151.03928	49.5
152.01108	1.7
152.04311	2.8
153.05530	1.0
154.02658	1.6
159.04372	0.8
160.01563	1.0
160.05222	1.8
161.02339	1.7
161.06013	1.7
162.03099	1.7
163.03931	5.3
164.04712	8.4
165.05493	100.0
166.02635	24.3
166.05772	4.2
167.03357	4.8
168.04124	0.7
172.05208	1.7
174.03148	1.1
175.03934	4.8
175.07556	0.8
177.01857	2.3
177.05453	2.2
179.03363	0.7
180.04198	6.2
181.04984	32.8
182.05292	1.7
189.05498	4.7
190.06271	8.2
191.06897	0.8
192.04271	0.8
195.06567	64.9
196.06892	3.2
205.05005	1.3
205.08559	1.0
206.05705	0.9
209.81090	0.6
216.69080	0.7
221.08096	1.3
282.05347	1.0
297.07590	1.1
309.07687	0.9
315.08517	1.5
318.20978	0.8
325.07193	0.8
329.09995	3.7
341.10126	0.8
342.10971	2.9
353.10022	0.9
356.12421	1.1
357.09579	9.4
357.13358	11.4
369.13196	2.2
372.12177	7.4
373.12708	2.0
386.13663	1.5
387.14496	79.1
388.14709	8.1
490.16223	0.9
505.18958	4.4
506.18967	1.1
535.19702	56.7
536.13196	0.9
536.20203	9.7
553.20691	2.2
565.20605	2.0
583.21838	26.1
584.22113	4.4
612.40375	0.8
756.24683	1.0
787.34741	1.8
808.41937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1944
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
65.00195	1.1
69.37664	0.8
71.13482	2.4
83.62793	0.8
98.96677	0.8
107.01254	3.0
109.02817	1.3
109.11218	0.9
124.01534	2.4
137.02356	2.4
151.00293	7.9
152.01077	2.1
163.00267	1.5
164.01027	2.2
169.01291	1.4
178.99767	10.5
193.01190	1.2
203.03453	1.7
214.02696	7.2
215.03526	1.2
227.03522	0.9
242.02176	7.4
243.02904	4.1
259.02448	9.2
270.01645	8.9
271.02469	43.9
272.02777	1.8
287.01993	30.7
288.02615	4.1
315.01456	4.1
316.02234	100.0
317.02884	17.6
349.66147	0.9
736.15271	0.9
787.19379	44.5
788.19415	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	787.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
68.06490	0.8
71.01264	1.0
93.03325	6.1
95.04871	1.3
104.68903	0.8
108.02065	1.8
121.02847	12.4
122.03626	17.3
123.00789	1.5
123.04430	1.4
124.01547	1.5
133.02827	2.6
134.03587	1.1
135.04402	7.8
136.01561	26.1
137.02357	4.5
147.04411	1.6
149.02357	33.8
150.03136	100.0
151.00294	6.2
151.03931	27.9
152.01042	2.3
152.04358	1.0
160.05305	1.1
162.03116	1.7
163.03920	2.7
164.04677	5.9
165.05486	90.8
166.02635	17.3
166.05861	4.5
167.03368	3.0
172.05305	0.9
174.03110	1.2
175.03951	4.0
177.05507	1.8
179.06970	1.3
180.04243	4.8
181.04993	20.9
189.05505	5.4
190.06310	5.9
191.03470	1.0
195.06563	71.8
196.06931	4.0
205.04988	0.9
205.08664	1.2
205.99077	0.9
207.06638	1.1
229.92020	0.9
229.93994	1.0
282.05283	0.9
282.36813	1.1
315.08795	2.1
329.10260	4.5
342.11032	1.6
356.12531	2.6
357.09576	4.2
357.13449	12.2
372.12137	3.6
373.12726	2.4
385.12985	0.9
386.13733	2.9
387.14478	65.1
388.14935	6.7
490.15756	1.0
505.19025	5.5
535.19745	80.7
536.20233	11.4
553.20752	1.3
565.20624	2.4
583.21838	28.0
584.22345	4.8
634.77307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
55.94978	0.6
56.34422	0.6
57.03313	1.7
58.00457	2.5
59.01251	36.2
61.14618	0.6
61.98700	1.3
62.92487	0.6
68.99674	0.6
69.03320	2.4
70.80972	0.9
70.81305	1.2
71.01254	34.5
71.04876	0.7
72.99181	3.4
73.02824	4.5
73.37294	0.6
75.00742	1.7
78.95764	0.6
81.03320	1.8
83.01256	3.4
83.04892	1.9
85.02826	7.5
87.00745	8.8
89.02318	25.4
93.03310	1.1
95.01254	2.9
95.04903	1.1
95.06936	0.7
96.95875	0.6
97.02826	4.1
97.06492	1.3
99.00764	2.0
101.02319	19.0
109.02798	0.9
109.06467	2.0
111.00806	0.7
111.08059	1.4
113.02331	11.5
119.03379	4.7
125.02317	6.1
131.03378	1.3
135.08040	1.0
137.09598	1.4
139.03876	0.6
143.03406	2.5
145.04892	0.6
161.04459	2.8
171.10175	0.9
179.05533	9.1
183.13817	2.3
203.05544	0.7
203.14316	1.3
211.13350	2.0
213.14882	1.1
219.10349	0.6
221.06645	5.1
231.17451	1.6
235.08235	2.6
237.14935	0.9
239.16461	3.2
241.17908	1.4
247.13379	0.7
249.14973	0.9
263.07663	1.6
265.18011	1.0
267.19650	1.2
275.16492	2.5
277.18008	1.7
289.18198	0.8
293.21329	0.8
297.21713	0.7
305.08902	1.0
313.25308	0.7
315.26874	3.5
317.28506	1.8
321.08173	0.7
323.09650	0.6
325.25317	7.2
333.27954	1.7
341.24811	3.3
343.26471	6.2
344.26791	0.7
351.23270	1.6
359.25876	6.5
361.27429	3.0
362.28079	0.6
369.24280	7.8
370.24585	1.1
377.27023	2.2
387.25363	22.0
388.25638	1.6
397.13431	11.8
405.26431	44.9
406.26611	4.3
430.51172	0.7
461.29013	0.7
479.30051	1.1
623.33966	1.7
749.44672	3.2
757.40051	1.9
767.38660	2.3
768.65143	0.7
785.39667	100.0
786.39972	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	785.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.3
59.01252	38.4
61.98685	2.2
69.03333	2.8
71.01254	33.5
71.12283	2.1
71.12606	2.2
72.99180	2.9
73.02815	3.3
75.00754	2.8
81.16859	1.6
83.01247	3.3
83.04876	1.6
85.02817	8.7
85.54389	1.9
87.00765	10.1
89.02322	21.4
95.01266	3.0
97.02829	4.6
101.02326	18.3
109.06565	2.3
110.79573	1.7
113.02347	10.5
118.78961	1.7
119.03386	5.4
121.02833	2.7
125.02338	5.5
125.23710	1.6
135.08029	1.8
137.02281	1.8
143.03433	3.1
161.04434	4.2
171.10254	2.0
179.05540	10.2
193.12225	2.2
213.14850	2.7
221.06601	3.5
223.13313	2.9
225.11058	1.7
235.08163	2.6
239.16476	4.2
291.19601	2.2
313.25311	1.6
315.26828	2.0
325.25351	8.1
341.24524	4.4
343.26273	6.3
351.23230	1.9
359.25873	5.1
361.27539	2.1
369.24438	8.7
387.25415	19.2
397.13553	11.6
405.26498	48.9
406.26617	5.6
479.30054	2.4
717.38373	2.1
785.39679	100.0
786.39966	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	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.3
57.03320	2.1
57.37009	0.8
58.00471	2.1
59.01255	39.4
61.98702	1.3
63.49238	0.8
69.03326	3.1
70.32555	3.5
70.60578	0.8
71.01257	30.9
72.99174	2.9
73.02826	5.1
75.00742	1.7
81.03316	1.4
81.76759	0.7
83.01265	3.6
83.04890	2.5
83.53843	0.8
85.02816	7.6
87.00754	9.1
89.02319	25.7
91.91935	0.7
95.01275	2.1
95.04900	1.3
97.02837	4.6
97.06455	1.8
99.00752	2.1
100.23105	0.8
101.02330	19.1
104.15365	0.8
109.06472	2.4
111.04349	1.3
111.07992	1.8
113.02334	11.3
119.03407	4.5
121.02830	0.9
125.02329	6.0
135.08058	1.6
137.09619	2.6
143.03401	2.5
161.04460	4.4
169.12253	1.2
171.10243	1.3
175.19420	1.0
179.05542	11.3
183.13811	1.2
197.11743	2.7
203.14442	0.8
209.11897	0.9
211.13280	1.2
213.14877	2.0
216.04507	0.9
221.06618	4.1
231.17455	1.9
235.08199	3.7
237.14824	1.3
239.16560	1.7
241.18115	1.3
245.19092	1.1
247.13245	0.9
251.16403	1.0
263.07629	2.5
265.18076	1.1
275.16385	1.6
285.98355	0.9
315.26898	2.9
317.28467	1.8
318.90936	1.0
325.25235	6.5
341.24893	2.9
343.26505	6.8
351.23190	2.8
359.26010	7.0
361.27386	2.4
369.19879	1.2
369.24405	10.3
369.61069	0.9
377.26926	1.7
387.25421	24.3
388.25632	2.0
397.13464	13.1
401.69315	0.9
405.26465	51.8
406.26651	4.0
479.29837	1.4
623.34167	2.1
641.34576	1.0
694.35529	1.0
757.41162	2.0
767.38770	1.5
785.39703	100.0
786.40100	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	785.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.1
57.03327	4.6
59.01251	88.1
65.17316	1.7
68.51839	2.0
71.01254	44.5
71.35024	5.0
72.99187	9.6
73.02823	17.7
73.06348	2.0
73.99495	1.8
75.00749	18.2
83.01268	8.5
85.02816	23.9
87.00777	11.5
89.02328	11.4
95.01273	5.6
96.95911	9.6
97.02842	3.3
97.64933	2.3
99.00776	9.1
101.02330	23.6
103.00289	3.2
112.33544	2.0
113.02333	28.6
119.03388	5.1
119.04898	3.4
121.02766	2.2
125.02328	3.6
131.03448	3.0
136.01569	2.6
143.03477	2.7
148.05200	100.0
149.02397	3.5
149.04497	2.6
149.05595	4.5
150.03130	2.2
151.03946	4.8
161.02327	8.9
161.04482	6.5
163.07559	97.8
164.07890	6.0
164.64201	2.8
165.05397	2.5
175.02412	2.6
176.04712	4.8
179.03456	13.1
191.07169	2.6
193.01433	3.0
194.05846	12.8
207.06522	2.3
208.03716	3.1
209.08148	25.2
223.06145	4.4
249.06137	6.0
267.07166	5.4
269.77780	2.2
270.64041	2.4
287.22284	17.7
298.70285	2.5
337.07227	2.5
367.11978	3.3
431.26443	7.7
449.27707	20.4
461.29092	2.3
491.28391	3.5
579.17432	2.2
581.20380	8.8
723.32556	2.8
741.35516	96.2
742.35950	15.2
785.33276	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	785.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.5
69.66516	8.6
74.29597	1.2
97.08131	1.1
107.01290	2.8
125.02298	1.5
136.01514	1.5
151.00279	10.1
152.01067	2.3
163.00287	1.7
163.76207	1.4
164.01048	3.8
171.04430	1.5
178.99811	6.4
187.03955	3.4
190.02446	1.1
199.03909	4.0
203.03435	7.2
213.01823	1.7
214.02654	3.9
215.03427	5.1
217.01395	1.4
227.03423	3.5
231.02969	4.1
232.03575	1.5
241.01373	2.9
242.02220	5.1
243.02975	17.4
244.03287	1.5
253.96182	1.3
255.02954	4.6
257.04321	1.6
259.02435	15.3
270.01694	5.2
271.02493	38.3
272.02762	1.7
285.04053	2.4
287.01978	68.6
288.02448	5.8
299.01968	20.5
300.02808	6.1
306.07645	2.5
314.04367	14.2
315.01508	100.0
315.05014	10.9
316.02203	82.5
316.05197	1.6
317.02750	5.7
330.03726	6.0
331.04593	20.5
332.04968	1.6
403.06415	1.5
410.91907	1.2
562.92126	1.3
770.19897	1.6
785.21472	95.9
786.21844	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	785.2145
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01264	1.5
65.00220	1.8
69.08821	1.0
97.44444	0.9
98.20588	1.4
107.01260	1.9
114.32114	1.0
124.81676	1.0
128.16287	1.1
149.02422	0.9
151.00278	11.4
163.00238	2.2
169.01286	1.8
171.04482	1.5
175.04053	1.1
178.99782	7.9
179.66681	1.0
187.03886	4.5
199.03905	3.1
201.01787	1.9
203.03427	10.0
215.03471	8.1
229.31343	1.0
230.01952	1.2
231.02960	6.5
241.01468	1.3
242.02151	1.8
243.02914	11.7
258.01627	2.3
259.02454	20.7
270.01672	2.0
271.02469	20.1
272.02994	1.5
285.03979	2.7
286.01227	3.9
287.02005	45.2
288.02548	2.3
301.03577	5.4
302.04300	1.1
314.67191	1.3
315.01474	99.2
316.02014	11.2
329.02945	4.4
330.03806	100.0
331.04437	14.9
337.44043	1.0
403.87408	1.0
785.21442	68.0
786.21783	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
61.98693	1.4
66.78098	0.6
70.81294	0.6
71.57730	1.1
75.00736	0.9
82.41238	0.7
95.19438	0.6
105.01862	0.8
121.02847	100.0
122.03210	2.6
138.44072	0.7
165.01878	2.3
171.10257	0.8
181.06566	2.1
191.03461	2.6
197.11699	0.8
199.45064	0.7
209.04497	65.9
209.11826	1.2
210.04741	4.0
225.05518	2.5
246.62085	0.7
277.21695	1.1
313.07281	4.8
357.06131	1.7
363.26419	0.7
369.42090	0.7
401.08765	11.1
401.13467	1.2
437.99988	0.7
441.01651	0.7
563.48230	0.8
785.41998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2152
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
69.92469	4.0
69.92888	7.6
78.95779	2.4
96.16094	1.8
98.44815	1.9
148.27760	2.6
151.00270	4.5
227.03281	2.0
242.02133	7.8
243.02902	10.0
245.00682	2.3
255.02887	4.7
270.01672	8.6
271.02536	11.4
285.03937	8.9
288.56891	2.0
298.01166	3.1
299.01962	25.1
300.02835	14.4
313.03491	31.4
314.04291	31.3
315.01639	3.7
315.05045	36.7
316.05524	3.7
330.03784	3.8
365.88962	2.0
623.16187	100.0
624.16602	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	785.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32769	1.6
59.01257	8.3
65.00189	5.3
67.01750	1.5
69.31130	1.3
71.01244	5.0
71.44172	1.7
71.44509	2.3
78.95787	2.7
84.92855	1.8
85.02821	3.1
86.85678	1.4
95.01244	2.9
101.02297	2.2
107.01267	2.5
108.02024	2.3
109.02821	2.1
109.99981	5.4
111.00749	4.5
113.02332	2.1
123.00772	4.4
123.04403	2.5
124.01604	2.2
125.02357	2.5
136.98705	3.0
137.99457	3.4
139.00269	8.3
143.04803	2.2
149.02293	3.6
151.00247	7.1
152.01021	3.0
163.00264	3.5
165.98973	13.2
166.99736	1.8
171.04414	4.9
178.99815	5.8
181.04955	1.6
185.02356	1.7
187.03877	5.0
189.01915	2.8
193.98462	2.7
197.02275	2.0
198.03160	3.2
199.03911	3.7
202.02614	2.8
203.03424	3.9
205.01180	1.7
213.01862	5.1
214.02586	4.4
215.03444	13.5
218.02249	1.6
223.87679	1.4
225.01770	2.6
226.02670	3.7
227.03448	3.5
230.02042	3.2
231.02980	8.0
241.01315	8.1
242.02127	7.3
243.02956	16.1
245.00917	2.0
255.03015	1.9
257.00790	1.9
257.04431	3.2
258.01682	14.2
259.02454	18.9
269.00958	4.9
270.01669	10.2
271.02438	14.7
272.03094	3.9
273.04016	7.9
274.04684	2.7
284.03256	3.3
285.04089	19.8
286.01120	11.8
286.04553	4.5
287.01965	67.6
287.05341	4.5
288.02353	5.0
297.00461	2.2
298.01160	4.2
299.01953	5.9
300.02872	2.4
301.03473	19.0
302.04269	21.7
303.04880	2.9
313.03531	25.2
314.04044	4.7
315.01553	34.8
315.05115	5.5
316.02118	13.0
329.03113	9.1
330.03778	65.4
331.04562	28.6
332.05173	2.2
341.49774	1.6
418.16022	2.1
537.21655	3.3
623.16211	2.9
767.21161	1.8
785.21436	100.0
786.21820	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	783.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58723	3.2
56.06023	3.1
57.03315	4.4
59.01253	46.4
64.57673	3.8
71.01259	40.9
71.57794	6.0
71.58139	3.8
72.99187	13.4
73.02829	5.3
75.00763	3.9
75.97006	3.3
78.95776	4.1
83.01273	5.6
85.02825	15.4
87.00757	19.1
89.02325	29.5
95.01287	4.0
96.95921	5.0
97.02766	4.6
99.00776	10.5
101.02316	24.4
112.98705	12.0
113.02334	13.7
115.00243	20.3
119.03391	6.8
124.98737	7.9
125.02380	8.1
142.99768	34.8
150.03102	4.3
151.00320	3.6
161.04471	5.9
173.00838	9.8
174.01599	49.5
175.02437	35.6
179.05420	3.7
183.13878	7.8
211.13341	100.0
212.13715	5.2
223.13446	3.8
227.03534	5.5
235.08182	7.9
255.03029	6.6
284.03250	4.4
331.06726	9.2
397.13528	87.6
398.13519	4.0
415.14651	32.9
609.27832	25.2
629.37848	4.0
665.25641	8.1
705.26062	8.3
783.28131	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	783.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.5
60.03952	2.6
71.01244	6.0
71.57027	3.1
78.95788	4.2
80.96396	5.6
101.02327	3.6
113.02258	2.3
146.79817	2.2
171.10269	3.0
180.76810	2.2
183.13773	5.5
195.13885	3.7
200.88936	2.2
209.11784	13.6
211.13344	100.0
212.13721	6.1
223.13332	4.3
225.00964	2.8
225.14680	2.6
228.02527	2.1
235.08302	4.1
248.78500	2.2
253.09343	18.2
275.20081	4.1
277.21753	14.9
293.21240	63.4
294.21561	6.3
447.22366	7.9
493.99759	2.5
564.89197	2.3
656.85376	2.3
783.43884	7.3
784.45300	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.9
71.01252	3.1
72.66858	0.5
73.02791	0.9
79.95592	1.0
80.96390	6.2
85.02814	1.3
89.02314	1.1
94.97956	1.3
97.02837	4.3
97.06457	0.7
98.20590	1.1
99.00737	6.4
101.02311	2.7
109.06429	0.8
110.03654	1.0
113.02312	1.1
125.02322	0.8
125.09624	1.6
135.08026	1.0
136.05171	1.1
142.02623	1.1
145.04974	0.6
152.98563	1.1
161.04427	0.6
161.09550	0.6
163.11160	3.9
164.98569	1.0
173.20439	0.6
181.12251	9.3
200.92543	0.6
207.10205	24.2
208.10472	0.9
215.23119	0.5
225.00719	1.6
225.11276	56.5
226.11575	2.7
229.78738	0.7
235.08121	2.8
243.12350	7.4
253.09268	3.5
277.21713	100.0
278.22119	7.7
443.19257	5.4
444.19553	0.6
451.48474	0.6
461.20233	5.4
462.19510	0.7
577.37408	1.1
678.90002	0.6
721.41748	18.4
722.42365	3.1
779.47571	0.7
781.40350	9.2
782.41571	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	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.9
57.03316	0.5
59.01250	16.8
69.03307	0.6
71.01244	6.1
71.04895	1.2
71.06628	1.3
73.02805	1.1
79.95585	1.2
80.96396	6.1
83.01279	0.6
85.02818	1.2
87.00742	1.2
89.02311	2.3
94.97952	1.6
97.02833	7.1
97.06461	1.3
99.00760	10.1
101.02303	2.4
109.06469	2.1
110.03637	1.2
113.02325	2.1
119.03384	0.8
125.02317	1.2
125.09612	3.5
135.08046	1.0
136.05211	1.0
137.50746	0.6
142.02574	3.1
145.04944	0.7
145.88727	0.6
148.99083	0.6
163.11195	7.1
164.11610	0.6
164.98546	0.9
179.10680	1.2
181.12263	17.7
182.12520	0.8
199.13254	1.2
207.10196	51.4
208.07747	0.5
208.10518	2.5
225.00751	2.1
225.11270	100.0
226.11580	4.5
235.08209	1.7
243.12354	11.3
244.12651	1.1
253.09210	3.4
277.21716	81.3
278.21988	6.1
299.15158	0.7
317.16031	0.7
390.29175	0.6
443.19189	4.5
461.20282	40.7
462.20758	3.8
561.33185	0.7
577.37427	1.1
721.41718	20.3
722.41998	4.6
781.40472	7.1
782.41333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	18.8
71.01251	13.6
71.58108	2.5
73.02805	3.5
75.00724	5.6
85.02837	5.6
89.02310	4.5
96.95908	15.9
99.00731	5.3
101.02318	3.6
106.06520	3.3
113.02319	9.8
117.03372	3.1
117.50952	2.1
121.02840	4.9
122.03627	6.3
133.02869	2.4
134.03618	6.2
135.04384	3.9
136.01527	7.7
137.02412	5.6
149.02374	16.8
150.03134	49.3
151.03906	13.7
161.02373	3.0
161.04515	2.4
163.03995	3.4
164.04631	3.1
165.05481	62.6
166.02628	7.9
175.02484	2.5
175.03944	6.3
180.04175	5.4
181.04997	8.5
190.06259	3.2
193.04971	6.6
195.06557	51.5
227.03525	3.2
255.02925	5.0
284.03238	5.9
297.07840	2.8
357.13702	6.0
372.12103	2.8
373.12906	3.2
387.14499	47.0
388.14972	2.6
429.12411	3.0
535.12146	4.1
535.19800	57.7
536.20135	5.2
565.20483	5.9
583.21875	100.0
584.22021	9.5
605.17224	10.6
719.28259	5.8
781.22894	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	781.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.4
57.03320	2.7
59.01255	100.0
61.98697	1.4
62.34158	1.3
68.19199	1.4
69.03342	2.0
71.01251	28.7
71.57751	3.0
72.99182	4.4
73.02836	8.4
75.00755	3.0
75.80128	1.4
78.95777	1.8
83.01266	6.3
85.02827	18.2
85.99969	2.7
87.00748	2.4
88.98712	5.1
89.02342	4.8
95.01271	2.6
96.95867	7.4
97.02845	6.1
98.95458	1.6
99.00774	5.3
101.02340	14.3
111.00779	3.0
112.01523	2.1
112.79784	1.6
113.02325	15.0
115.03909	1.8
116.92755	5.6
119.03374	1.9
124.01552	3.8
125.02339	13.3
133.04959	3.0
143.03419	6.0
145.03027	1.9
161.04411	2.0
231.13843	3.0
302.62271	1.6
401.23517	1.7
429.32120	3.7
447.33340	6.3
480.43677	1.8
537.34180	3.5
555.34906	2.4
573.36560	16.5
591.37543	69.4
592.38226	8.5
609.38464	30.1
610.38715	2.6
633.38770	5.0
634.39508	2.0
651.39734	22.4
652.39551	1.8
781.36249	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	779.4586
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01755	0.9
57.03318	2.0
57.03559	0.3
58.00457	1.1
59.01252	24.7
59.19342	0.3
61.88568	0.3
62.80153	0.3
67.01751	0.7
68.99700	2.4
71.01255	29.0
72.99178	3.1
73.02821	1.8
75.00751	14.2
83.01247	2.8
85.02827	11.4
87.00759	2.6
89.02320	11.7
95.01267	4.8
96.95899	0.7
97.02805	0.9
98.20589	0.8
99.00761	13.1
101.02322	13.1
111.00741	0.5
113.02335	8.5
115.00253	0.7
119.03402	2.4
125.02340	0.3
127.30574	0.3
129.01794	0.6
129.09760	0.4
139.00299	0.9
145.93433	0.3
157.01346	1.7
161.04463	1.5
183.44267	0.4
196.37729	0.3
229.79295	0.4
385.57947	0.3
423.32300	0.4
439.35818	4.2
505.40359	0.4
509.40076	1.5
510.40369	0.4
531.30347	0.5
581.38354	0.5
599.39166	0.7
630.03827	0.3
769.09369	0.5
769.69714	0.4
779.45856	100.0
780.46161	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	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	19.1
69.03310	1.3
69.88908	6.3
71.01251	3.0
71.04899	1.7
73.02842	1.1
73.11309	1.0
80.96394	1.8
89.02325	1.9
101.02348	2.6
113.02332	2.0
135.61905	1.0
167.10695	1.6
179.05443	1.0
179.14322	3.7
185.95535	1.1
195.13832	7.6
205.12251	11.0
223.13350	100.0
224.13712	4.1
235.08205	2.8
253.09267	7.1
255.23547	1.4
277.21732	60.3
278.22079	4.2
441.21390	1.6
459.22287	15.3
535.70892	1.1
546.47217	1.2
569.87549	1.4
779.40051	4.0
780.40002	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	779.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20123	3.3
59.01271	4.3
61.98690	4.9
65.68304	2.6
71.12977	7.4
96.95910	4.3
102.72026	2.9
122.94964	3.3
123.58539	3.5
136.10759	3.5
179.39848	3.5
357.28430	3.8
366.42206	3.5
423.32742	4.2
467.31595	6.5
485.32718	100.0
486.33008	13.5
782.80212	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	779.4229
Annotation	Tragopogonoside A
Peak:m/z	Relative Intensity
56.94182	0.5
57.03317	1.6
58.00460	1.4
59.01252	21.9
64.80141	0.5
68.99693	1.3
69.03358	0.7
69.46378	5.2
70.12840	0.6
71.01256	23.9
72.99178	1.9
73.02835	1.3
75.00751	12.0
83.01271	2.3
85.02824	8.1
85.56030	0.7
85.99979	0.5
87.00758	1.6
89.02319	8.1
89.21767	0.6
89.63457	0.5
95.01274	2.5
98.20481	1.3
99.00758	13.3
101.02322	3.8
111.00750	1.0
113.02339	5.5
115.00261	0.8
131.03394	1.4
157.01411	1.1
165.12827	0.9
171.10193	6.2
174.01610	0.7
183.13857	4.6
397.13519	1.4
469.33264	2.2
471.34750	4.9
472.35208	1.0
513.35754	1.5
539.37805	1.5
553.35449	1.0
585.38074	5.5
586.38318	0.7
603.39459	0.8
615.63885	0.6
629.36884	9.0
630.37213	2.0
717.42651	1.1
779.42352	100.0
780.42767	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	779.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01718	0.9
57.03313	3.0
58.00470	1.2
59.01255	21.6
60.99183	1.1
61.98711	8.7
68.99696	1.6
70.19738	0.9
71.01256	21.0
72.99183	4.8
73.02824	1.5
75.00739	10.2
77.10057	0.9
83.01255	3.9
85.02834	16.0
85.99982	1.0
87.00758	4.9
88.98673	5.6
89.02324	8.8
95.01264	3.8
96.95885	1.7
99.00761	14.4
101.02331	3.0
112.01590	1.2
113.02328	10.7
115.00248	1.3
131.03395	1.3
158.05658	0.8
174.01598	1.3
206.25705	1.0
441.33725	1.7
453.33478	1.5
471.34833	2.7
512.10675	0.9
625.39539	1.0
629.37006	1.9
779.42242	100.0
780.42725	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	779.4235
Annotation	Tragopogonoside A
Peak:m/z	Relative Intensity
55.01758	0.9
57.03316	2.6
58.00468	0.9
59.01252	26.8
59.32910	0.6
60.53166	0.6
60.99170	1.7
68.99717	1.2
71.01254	21.2
72.99179	2.7
73.02811	1.7
74.02313	0.7
75.00748	8.5
83.01255	2.2
85.02350	0.8
85.02824	10.9
86.03160	0.7
87.00741	2.1
89.02323	9.0
95.01269	3.5
96.95901	0.9
97.02849	0.7
99.00758	13.7
101.02336	3.8
112.01561	1.2
113.02333	7.4
131.03378	1.4
157.01308	1.0
229.49467	0.7
233.80460	0.6
255.12906	0.6
407.33511	1.2
441.82269	0.7
453.33804	0.9
469.33218	3.6
471.34750	6.1
472.35007	1.0
553.35266	2.7
585.38092	3.1
603.39380	0.8
618.36951	1.3
629.37042	6.1
630.37427	1.2
633.38654	2.6
647.37518	0.8
661.35938	1.4
663.36969	1.5
717.42328	1.2
779.42291	100.0
780.42731	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	779.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03314	2.0
58.00457	0.8
59.01254	17.1
61.98693	0.6
68.99665	1.1
69.27032	3.1
69.27441	0.8
71.01258	18.6
72.99175	1.8
73.02802	0.6
75.00745	9.4
77.39853	0.3
77.44725	0.3
83.01238	1.4
84.02065	0.4
85.02823	11.9
85.99957	0.7
87.00757	3.9
88.98686	0.8
89.02324	7.7
95.01250	1.9
97.02778	0.4
99.00761	15.4
100.01089	0.4
101.02344	1.8
112.01509	1.0
113.02341	10.2
115.00250	0.5
115.70893	0.4
131.03383	2.0
133.39293	0.4
157.01324	1.5
195.32701	0.4
363.28891	0.4
423.33017	1.7
437.30685	0.4
439.31952	2.0
451.32919	0.5
453.33713	0.4
469.33243	2.0
471.29144	0.5
471.34988	7.5
472.34964	1.2
479.74713	0.4
553.35400	1.9
585.37939	2.5
586.38538	0.5
603.39130	0.6
629.36938	5.2
630.37164	0.7
779.42218	100.0
780.42535	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	779.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.0
63.57753	1.3
70.58469	5.4
71.01254	16.9
72.99191	1.3
75.00745	7.3
85.02830	12.8
87.00787	1.9
89.02311	5.6
95.01283	1.7
99.00768	12.1
112.01483	1.7
113.02334	10.2
121.69479	1.3
137.47287	1.2
144.46631	1.2
153.59969	1.3
181.25215	1.6
439.32370	3.0
444.11194	1.4
453.33713	1.5
469.33093	2.5
471.34927	7.7
585.37555	1.7
629.36700	4.2
630.83734	1.4
779.42285	100.0
780.42676	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	779.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92772	0.6
69.66897	4.4
93.03367	0.7
108.02048	2.5
121.02869	5.1
122.03603	2.0
134.03621	1.1
136.01567	77.3
137.02223	2.7
140.55725	0.7
151.03920	100.0
152.04274	2.8
160.05214	1.0
160.18456	0.6
162.03149	1.1
163.03909	1.1
175.03917	0.8
175.07623	1.6
208.29214	0.6
209.57678	0.7
209.66141	0.6
276.65469	0.8
277.21762	3.9
279.23105	1.2
342.11087	4.5
357.13437	91.0
358.13773	7.7
399.37943	0.7
558.13361	0.9
698.68231	0.7
760.49402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.5
59.01252	27.1
61.98732	1.7
64.69291	1.5
68.99689	2.0
69.28240	15.4
69.56786	1.6
71.01249	28.3
73.02824	3.9
75.00730	9.2
83.01254	3.8
85.02831	17.4
87.00735	2.7
88.98714	1.9
89.02298	9.7
95.01260	3.4
96.95904	5.9
99.00765	17.1
101.02332	7.3
101.50461	1.8
113.02317	12.2
125.06072	1.6
142.85637	1.6
145.02898	2.1
149.02376	2.2
150.03131	4.8
165.05495	5.1
171.10185	7.2
181.04901	2.5
195.06604	4.3
209.11755	10.2
227.12880	2.3
233.90988	1.7
241.25046	1.9
259.51563	1.7
303.84378	1.6
309.20673	2.8
397.13321	4.3
415.14743	2.7
415.98935	2.0
446.12158	1.9
471.34903	4.7
507.60388	2.1
567.36731	1.9
585.38177	4.0
629.37109	3.3
779.42310	100.0
780.43085	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	779.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54543	2.6
59.01253	57.3
61.98683	4.0
70.67599	7.8
70.67918	3.2
71.01251	12.5
72.99173	3.4
85.02818	3.6
87.36626	2.9
94.02824	3.0
94.06525	3.8
95.01223	2.7
96.83257	3.0
96.95879	6.4
101.02330	4.4
105.40589	3.3
106.06517	51.9
108.04456	5.5
108.08057	3.1
109.72654	3.2
113.02351	6.2
120.04455	5.3
121.02811	2.8
122.06017	22.4
122.50161	3.6
124.53444	2.8
132.04414	3.8
134.06020	35.0
148.03996	3.1
149.02321	5.6
149.04752	8.6
150.03098	11.7
150.05518	50.8
150.59599	3.7
151.00288	3.2
151.03911	4.1
151.05917	3.6
152.07079	3.6
160.03964	12.4
161.04668	3.5
162.05498	6.3
163.18802	3.4
163.36874	3.2
165.01852	5.2
165.05470	11.2
166.02695	3.4
175.03874	4.3
195.06552	8.6
209.11748	3.8
225.10207	4.3
227.11877	8.9
237.10408	3.3
241.09566	5.3
241.13428	4.2
252.09047	4.7
253.05196	3.0
253.09758	8.9
254.10527	6.8
255.02792	4.1
255.11389	5.3
267.11380	7.9
269.12949	25.8
281.09393	8.2
281.12894	4.3
283.10858	5.6
293.09164	6.2
295.10913	6.2
299.10281	6.6
307.10724	4.3
329.15042	5.2
331.12613	3.4
359.40710	3.3
375.12009	5.1
400.16833	3.2
401.17270	9.6
452.63992	3.1
502.20197	5.5
546.18756	11.9
578.21417	4.7
657.25488	8.3
661.25269	16.6
661.82135	3.5
667.22925	4.5
675.26904	22.0
676.26996	5.8
685.25586	3.9
703.26044	11.0
717.27759	100.0
718.27728	21.7
735.28558	34.6
736.29535	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	779.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17400	1.0
58.63468	1.1
59.01253	28.6
61.98693	2.9
71.01251	2.8
71.57840	2.3
80.04949	2.6
85.25662	1.2
89.02314	1.4
94.02866	16.6
94.03429	1.8
96.95920	3.4
100.07600	1.0
101.02343	1.6
104.04946	1.4
106.06512	9.3
108.04430	4.2
108.08083	1.4
113.02281	1.5
122.06053	2.9
130.66182	1.3
132.04410	1.4
134.06029	27.1
135.06361	1.1
136.07536	3.6
138.05479	2.9
145.02939	1.2
146.05994	3.0
148.03900	2.2
148.07640	1.2
150.03099	2.0
150.05524	1.7
151.03911	1.5
152.07097	4.8
156.84790	1.1
160.03978	2.1
162.05522	2.0
165.05521	2.5
174.05609	2.8
180.06618	6.7
188.07115	15.7
195.06525	2.1
211.08763	2.2
223.12247	1.1
224.09555	1.5
225.10332	5.3
227.11911	4.5
237.10204	2.0
239.03412	1.4
239.11905	2.4
249.10304	1.6
251.08350	2.2
251.11836	3.9
252.08949	2.3
252.13002	1.2
253.09834	8.7
264.08939	1.8
265.09833	4.6
267.11359	5.3
277.09781	5.2
279.07700	4.4
279.11383	3.9
291.07751	2.5
292.08551	2.4
293.09302	3.8
294.10031	3.1
295.10846	25.2
296.11417	2.0
305.09247	3.5
306.09943	1.9
307.10880	20.9
319.12701	1.3
321.08804	2.2
321.12506	1.8
335.12296	2.5
336.12894	3.4
337.12875	1.9
349.69556	1.3
372.17120	1.9
374.18988	2.3
400.16647	3.3
414.18292	3.5
418.17523	1.4
442.17618	15.5
443.18060	2.7
458.17456	1.6
460.18719	1.9
468.15787	1.8
486.16476	4.3
502.19849	41.9
503.19980	5.8
518.19489	3.4
546.18823	100.0
547.19135	15.3
578.21436	57.8
579.21783	11.0
685.24933	1.6
703.26636	2.3
717.27759	2.3
735.28351	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	777.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.4
58.00473	0.6
59.01250	11.8
59.07307	0.5
61.98697	1.0
68.99679	1.7
69.03319	1.2
70.63484	1.6
71.01256	14.6
72.99188	1.5
73.02813	3.3
75.00748	12.5
82.47061	0.5
83.01256	1.4
85.02821	13.2
85.99980	1.0
87.00775	0.8
89.02310	1.6
89.80228	0.5
95.01253	1.8
95.49024	0.5
96.95865	1.5
99.00758	14.2
101.02309	1.7
103.03914	0.7
113.02340	7.7
113.82267	0.6
113.90333	0.5
157.01350	1.3
160.06369	0.7
171.10170	0.6
182.79750	0.6
211.13179	0.7
306.87988	0.5
344.54123	0.7
369.03125	1.0
384.18079	0.7
437.34412	1.0
443.62823	0.6
453.33856	2.4
455.35278	10.2
456.35507	0.8
457.91263	0.6
497.36435	2.1
537.35645	1.8
569.38318	6.2
570.38898	0.9
587.39307	0.8
613.37506	3.0
738.00922	0.8
777.44281	100.0
778.44678	18.4
785.93323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.4
57.03312	2.1
58.00446	1.6
59.01255	16.4
61.98693	2.4
65.55495	0.7
68.99671	2.4
71.01260	14.5
72.99181	1.7
73.02816	3.4
75.00746	13.0
76.81325	0.8
78.95810	1.8
81.03313	1.1
82.65758	0.8
83.01251	2.4
85.02827	11.6
87.00749	1.4
89.02315	2.4
95.01249	3.9
96.95881	0.9
98.19844	2.5
99.00768	14.0
101.02329	2.0
111.87399	0.7
113.02350	4.2
113.71662	0.9
115.00247	1.1
129.58008	1.0
145.01346	1.4
149.58427	0.9
157.01392	1.2
225.11511	0.9
229.55135	0.9
423.66251	0.9
453.33914	5.7
455.35141	7.8
523.37634	1.2
537.35474	1.7
569.38672	4.3
613.37457	3.4
631.37537	1.1
705.77655	1.0
749.79968	0.9
777.44324	100.0
778.44629	20.5
795.62976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06141	3.7
59.01251	9.7
61.98679	3.6
64.83821	3.3
69.27722	11.8
69.28141	22.8
71.01253	4.7
83.04935	4.0
91.81353	3.4
98.20569	6.7
113.02302	4.3
165.12694	5.7
192.00525	4.0
201.11292	37.6
209.11769	63.9
210.11958	5.3
220.54480	3.9
227.12781	29.9
235.08122	8.1
237.11295	4.8
253.09286	12.6
263.12912	3.6
277.21713	100.0
278.22043	12.3
374.19080	4.2
437.20636	5.3
444.73517	3.8
445.20770	5.5
458.88965	3.6
493.15414	3.9
513.30920	5.3
777.41986	16.1
778.42828	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	777.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.2
56.77233	0.6
58.00471	1.3
59.01252	22.9
61.98690	1.3
64.24622	0.6
67.01766	0.7
68.99682	2.0
69.68465	0.6
70.79771	0.7
71.01253	22.0
72.99174	3.2
73.02817	1.0
74.98462	0.7
75.00742	11.5
78.95771	1.3
83.01247	2.8
85.02831	8.7
87.00742	2.3
89.02312	8.7
94.30659	0.6
95.01266	4.1
96.95866	1.7
98.20496	1.6
99.00759	10.3
101.02325	10.9
113.02330	7.2
119.03391	1.3
129.01810	0.9
139.00221	0.9
141.17941	0.7
145.43790	0.7
157.01340	1.0
171.10114	0.8
211.13417	0.7
239.02937	0.7
249.11067	0.9
265.10504	0.7
270.70447	0.7
369.03073	1.5
437.34393	5.2
507.38385	1.3
623.71698	0.8
777.44287	100.0
778.30396	1.0
778.44568	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	777.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.03316	1.2
58.00452	0.7
59.01252	16.8
60.29247	0.4
68.99686	1.5
70.96648	0.9
71.01254	17.9
72.99171	1.4
73.02810	0.7
75.00748	5.3
78.95768	0.4
83.01266	0.9
85.02830	5.9
87.00751	2.1
89.02325	7.1
95.01268	2.1
96.55096	0.4
99.00758	12.4
101.02316	2.1
111.00803	0.7
113.02335	3.6
116.38312	0.4
131.03395	1.0
139.00253	0.6
157.01358	0.8
161.11694	0.4
209.30190	0.4
214.38087	0.4
236.40459	0.4
295.91660	0.4
325.65469	0.4
351.84561	0.5
387.89835	0.6
423.32578	1.4
449.19998	0.4
451.32123	2.0
453.34335	0.4
469.33160	8.2
470.33508	1.2
479.31860	0.5
511.34286	0.6
534.22961	0.4
539.07336	0.4
551.34070	1.0
583.36353	3.2
584.36761	0.5
601.37494	0.6
627.35138	5.1
628.35376	1.2
715.40802	0.7
777.40643	100.0
778.40991	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	777.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03314	1.9
58.00448	1.2
59.01252	21.4
61.98689	0.8
68.99695	1.5
69.33955	3.8
69.34390	2.5
71.01255	21.6
72.99175	3.0
73.02795	1.2
75.00749	7.2
77.54637	0.7
78.50291	0.6
83.01259	1.5
85.02830	8.1
87.00736	2.1
88.98720	0.8
89.02313	7.1
95.01266	2.1
96.95879	1.9
97.02831	1.1
99.00761	13.0
101.02328	3.4
111.00787	0.9
113.02325	5.9
115.00257	0.6
116.21068	0.6
157.01273	1.6
171.10202	1.0
183.13791	2.5
185.11691	1.1
211.13353	1.1
221.11433	0.7
241.14449	1.2
242.39807	0.6
287.22946	0.7
467.31943	3.4
469.33197	7.2
511.33994	0.9
514.66656	0.8
537.35968	1.1
551.33887	2.8
562.25323	0.8
565.34790	1.0
583.36279	4.0
584.37140	0.8
601.37701	1.1
627.35474	9.0
628.36047	0.8
687.36163	2.8
712.03748	0.8
777.40680	100.0
778.41125	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	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86060	0.1
57.38260	0.1
59.01255	0.2
71.01231	0.1
76.26308	0.1
78.95780	1.8
79.95614	3.1
83.02389	0.2
83.04895	0.1
90.59245	0.1
96.95894	100.0
96.96889	2.7
97.95834	0.2
98.02364	0.8
98.19820	0.2
111.00736	0.2
150.03168	0.1
165.01817	0.1
165.05479	0.1
185.96921	0.1
195.06412	0.1
207.02902	0.1
271.09756	0.1
716.51031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00989	0.5
59.01254	4.7
61.98692	0.4
70.55663	1.0
70.56065	0.7
71.01270	0.9
72.99158	0.6
75.00743	0.9
83.04877	0.8
85.02815	0.6
86.04001	0.4
94.02869	2.4
100.45317	0.4
108.04444	2.6
114.90916	0.4
119.04912	0.4
120.04446	1.3
121.05257	0.5
122.06007	8.4
124.03915	1.9
134.06012	2.0
135.06735	0.5
136.03949	3.7
136.07588	9.1
138.05496	2.0
146.06073	0.6
149.02327	0.5
150.03171	0.5
150.05515	9.9
151.05794	0.4
152.07069	1.8
159.11678	0.7
160.04008	0.5
171.06798	0.5
174.09149	1.1
176.03400	0.8
186.04254	0.6
186.09134	2.4
188.10689	0.5
190.05057	0.7
195.06627	0.5
201.06485	2.9
201.08180	0.4
202.07391	1.6
202.08922	0.8
202.12254	2.1
212.10799	1.3
213.06578	0.6
214.07373	1.3
215.08051	2.6
216.08820	0.6
227.08194	0.6
228.10283	2.7
229.09781	12.3
230.12038	7.6
231.11443	0.8
239.08289	0.5
240.08978	1.2
241.09668	0.5
243.07698	0.5
244.08401	0.5
245.09308	4.5
245.12978	0.8
246.11552	0.5
255.11414	3.8
257.09268	6.3
258.09897	1.5
259.10904	0.8
273.12460	19.8
274.12915	1.1
275.10471	1.4
283.10931	0.9
299.10297	1.2
317.11395	16.8
318.11682	1.5
334.11649	0.7
335.12491	100.0
336.12833	7.9
337.12262	0.6
397.13983	1.8
423.15076	0.8
641.22998	0.7
673.24799	0.6
683.23407	0.5
701.24799	0.7
747.24176	0.5
777.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	6.0
57.65834	2.2
59.01249	7.2
61.98690	10.0
69.92355	4.5
69.92759	11.7
71.01246	8.7
72.99177	6.0
75.00749	32.4
77.18105	2.1
78.95767	10.9
83.01295	2.6
85.02820	38.8
87.00759	3.9
95.01273	5.2
96.95885	11.0
96.96862	3.3
99.00780	8.0
105.01352	2.3
113.02340	26.3
150.96111	2.3
156.31900	2.5
157.01366	2.7
197.81825	2.4
209.11694	5.3
211.13326	3.2
291.19702	3.0
293.21103	7.3
455.35318	12.7
456.35202	2.5
509.36218	2.9
555.36798	3.4
613.37579	5.1
631.38446	61.0
632.38544	13.5
775.42676	100.0
776.43225	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	775.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96244	55.1
59.01272	78.6
67.53034	57.6
72.49866	57.1
79.43738	60.5
83.63052	59.7
96.85735	60.9
148.86528	56.4
176.56940	59.2
211.13252	82.7
223.94818	78.9
229.41814	69.3
277.21786	100.0
363.10553	69.6
546.41296	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00804	0.7
58.04296	0.7
59.01257	35.4
70.34130	3.4
70.46442	0.6
71.01258	8.8
72.99185	0.8
85.02844	1.6
89.02330	5.5
95.01278	1.1
99.46368	0.7
101.02328	5.7
113.02345	2.4
119.03402	1.6
139.31401	0.9
158.49615	0.7
163.11182	3.6
181.84508	0.7
207.10234	5.4
287.88364	0.8
330.48950	0.8
387.16629	100.0
388.16974	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	775.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
67.01811	0.9
71.01254	1.5
76.42348	1.0
89.02332	1.0
93.03362	1.4
96.95909	6.2
121.02840	7.6
122.03621	3.5
123.00768	1.6
134.03609	1.4
135.04378	4.8
136.01570	23.8
137.02357	20.9
139.03761	1.0
147.04315	1.2
148.01581	1.1
149.02353	2.7
150.03116	10.5
150.99170	1.0
151.00281	6.5
151.03922	28.3
152.00992	1.0
152.04338	1.2
154.02544	1.0
159.04520	1.5
161.06076	0.9
163.03827	1.7
164.01077	2.2
164.04514	1.1
165.01849	100.0
165.05498	15.2
166.02634	21.5
167.03387	3.5
175.03894	4.5
177.05487	1.3
179.03423	24.3
180.04207	64.5
181.04967	25.7
182.05315	1.7
189.05489	2.7
190.06239	5.0
192.04242	1.0
193.04990	1.8
194.05711	4.8
195.02855	3.2
195.06560	97.1
196.06950	4.3
205.04857	1.3
207.06511	1.1
210.05293	12.7
225.07651	70.8
226.07918	3.4
230.27660	1.3
232.82184	0.9
329.10312	1.2
342.11154	1.2
345.09802	1.4
356.12665	1.9
357.09705	5.0
357.13474	8.7
358.13846	1.6
372.12112	3.9
373.36951	1.0
386.13486	4.7
387.14511	58.1
388.14987	5.7
388.19403	0.9
417.15427	3.9
529.37823	1.1
535.19751	2.2
565.20770	60.1
566.21112	12.0
613.22913	23.2
614.23242	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	775.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
67.01779	0.7
71.01252	1.0
71.57677	0.4
78.95773	0.4
85.02843	0.5
89.02345	0.6
93.03309	0.5
96.95872	1.0
109.02833	0.9
112.32328	0.5
113.02296	1.1
121.02844	0.6
123.00760	0.6
123.04388	0.6
134.03610	0.5
136.01573	8.7
137.02348	10.5
148.01514	0.4
149.02332	0.5
150.03098	1.2
151.00253	3.0
151.03923	8.5
163.03886	0.8
164.01064	0.5
165.01849	78.2
166.02596	7.4
167.03455	0.6
175.03918	0.9
175.07529	0.5
177.01813	0.8
179.03436	10.7
180.04207	48.7
181.04967	7.6
189.05405	0.7
190.06213	0.6
194.05836	2.3
195.02951	2.2
195.06563	72.0
196.06885	2.9
205.05089	0.5
209.11401	0.6
210.05286	11.9
211.05911	0.6
225.07643	100.0
226.07953	4.8
247.66121	0.5
278.65805	0.7
285.03915	0.4
313.07312	0.5
342.11298	0.9
357.09720	1.6
357.13461	5.8
358.09756	0.6
358.14069	0.6
372.12189	0.9
387.14529	16.5
388.14789	1.4
565.20776	2.9
583.21887	0.9
595.21790	1.0
613.22894	10.1
614.23126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
59.01256	11.0
63.43108	0.8
65.46502	0.9
66.78038	0.8
70.70071	2.0
71.01259	6.8
72.99185	1.1
73.02820	1.4
78.37723	0.9
79.54623	0.8
83.04903	1.3
85.02819	4.7
87.00760	1.6
89.02310	5.3
90.15023	0.9
95.04898	1.4
96.95865	1.4
97.06465	5.3
98.19912	0.9
99.00698	1.0
101.02335	5.6
113.02328	3.7
119.03371	1.3
125.09600	1.0
127.11166	2.7
155.10661	2.0
161.04471	2.5
165.12764	9.1
171.10213	11.0
177.12743	1.1
183.13841	73.8
184.14149	1.4
185.11807	1.1
197.11794	1.9
201.11241	1.7
209.11777	7.4
210.12183	1.2
211.13330	24.1
221.05695	0.9
221.11836	4.5
227.12880	5.0
229.14409	17.1
235.08131	3.0
238.87091	1.1
239.12784	2.8
247.20738	1.5
253.09239	11.1
263.09744	0.9
273.18625	1.4
276.40350	1.0
281.56503	1.0
291.19708	7.8
309.20667	5.6
327.21768	43.8
328.22073	3.4
445.20908	1.2
463.22043	2.3
563.30255	1.6
669.30103	1.2
773.43304	100.0
774.43597	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01752	0.1
55.48205	0.1
59.01241	0.3
61.98702	0.3
71.01250	0.9
78.95774	3.2
78.96220	0.3
79.95612	3.3
90.97016	0.2
94.97980	0.3
95.97491	0.2
96.95889	100.0
96.96768	3.6
97.02805	0.2
97.95834	0.3
98.02361	0.4
98.75421	0.1
98.90558	0.2
99.00764	0.3
115.19194	0.1
118.96505	0.2
166.60274	0.2
171.10173	0.8
183.13823	0.2
193.64656	0.1
199.09657	0.1
201.11214	0.3
207.10243	0.3
225.11383	0.1
253.09286	0.3
277.02518	0.1
277.21725	0.3
293.21271	0.5
361.04620	0.2
379.64819	0.1
397.13409	0.2
407.17465	0.4
435.08167	0.8
447.07861	0.1
453.09277	1.1
582.56122	0.1
681.70868	0.1
683.43353	0.2
713.30530	1.1
714.31171	0.2
773.43140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70693	0.1
59.01245	0.2
59.63114	0.1
61.98703	0.4
70.14706	0.5
71.01244	0.4
78.95778	3.4
79.95607	3.1
82.35714	0.1
94.97935	0.2
95.97472	0.1
96.95892	100.0
96.96774	4.5
97.95844	0.3
98.02349	0.4
98.90621	0.1
101.02354	0.1
118.96497	0.3
137.51891	0.1
143.59088	0.1
144.98080	0.2
152.99507	0.2
171.10243	0.2
201.00887	0.1
209.11728	0.1
277.21960	0.2
361.04758	0.1
397.13696	0.3
407.17297	0.2
415.14783	0.1
435.08105	0.4
453.09503	0.6
532.22900	0.1
593.26965	0.2
713.30365	0.7
773.42456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.9
56.99439	1.4
57.03336	2.3
58.00466	4.2
59.01256	43.6
69.25007	1.3
71.01258	48.7
71.58583	2.6
72.01638	1.2
72.99187	3.8
73.02824	13.1
75.00761	2.4
80.92020	1.2
83.01276	31.2
84.02055	3.6
85.02826	12.9
86.00021	1.6
87.00752	8.4
89.02325	3.0
91.90666	1.3
93.43446	1.3
95.01222	1.4
96.95902	4.7
99.00768	20.2
101.02328	28.0
111.00614	2.7
112.01556	23.3
113.02348	15.8
119.03458	1.6
123.00558	5.4
125.02173	2.6
125.09647	2.8
127.00239	5.0
127.11183	18.0
131.04533	1.4
139.00067	2.3
139.11168	2.4
139.30679	1.4
140.00816	2.2
141.01610	15.2
142.99457	1.4
143.03435	2.6
151.00026	14.8
152.00758	1.6
153.01640	6.2
161.04504	3.8
166.99570	22.3
167.10445	25.6
169.12245	7.3
183.02684	75.6
184.03122	1.8
185.00461	1.5
201.03857	3.6
209.11595	8.3
211.09471	14.7
221.11566	3.3
225.03833	1.7
227.01736	13.0
227.61665	1.4
251.12685	14.9
271.15509	6.6
289.16501	1.6
295.11795	1.8
311.14774	39.4
312.15097	2.6
323.14661	3.1
329.15851	30.3
353.15811	20.2
354.15942	1.5
355.13773	54.2
356.14023	3.0
371.16873	100.0
372.17133	5.7
373.14801	53.0
374.15250	2.5
397.14868	4.3
413.16730	2.8
415.15906	3.0
451.32825	1.4
583.31073	1.7
601.31195	2.0
669.42426	2.3
790.04211	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	773.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58610	0.8
55.01768	1.4
57.03330	1.8
58.00459	1.8
59.01251	100.0
60.01563	1.0
69.03334	2.2
69.38323	6.4
69.38746	2.3
71.01254	57.4
72.99180	3.0
73.02821	34.4
73.03235	1.7
77.34605	0.9
82.62698	0.8
83.01259	10.1
85.02823	14.8
87.00755	4.5
89.02316	22.7
95.01244	5.3
96.95879	3.6
97.02860	1.5
98.19823	1.5
99.00719	2.3
101.02328	37.7
113.02329	33.1
119.03390	10.1
120.13918	0.9
125.02328	5.0
131.03410	5.2
131.04298	0.9
143.03421	6.7
149.04454	3.5
161.04466	13.5
179.05548	5.7
203.05493	1.4
209.11757	6.0
221.06625	1.4
253.09213	1.2
327.21750	2.9
354.27451	1.0
529.25885	1.0
540.48334	1.6
565.30133	3.6
583.31097	14.8
584.31940	2.9
601.32281	8.1
625.32556	1.8
643.33521	5.3
644.33643	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	773.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.9
59.01253	100.0
60.01600	0.7
69.03342	0.8
70.33145	1.5
70.33498	1.9
71.01259	26.8
71.78666	0.7
72.99218	1.1
73.02824	13.6
75.00747	0.8
76.32145	0.7
83.01264	3.9
85.02827	9.3
87.00741	1.7
89.02319	14.1
95.01274	2.3
96.95876	1.2
97.02879	1.0
99.00745	0.8
99.54252	0.8
101.02325	18.5
109.91606	0.7
109.95307	0.7
113.02334	21.9
119.03391	5.6
125.02363	2.7
131.03413	1.4
131.95966	0.7
143.03427	4.6
149.04497	2.3
161.04463	7.7
167.57249	0.7
179.05536	4.9
204.87466	0.7
236.50836	0.7
270.41016	0.7
296.04282	0.6
320.70374	0.7
499.84259	0.9
565.30334	2.8
583.31281	12.5
584.32104	1.8
601.32477	5.8
602.32446	1.8
625.32501	2.8
643.33307	5.7
669.41943	0.9
773.32050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
59.01264	11.0
69.03300	1.8
69.60894	10.1
71.01255	10.7
71.04876	1.8
73.02809	2.0
83.04897	2.2
85.02833	1.7
87.00755	1.7
89.02313	4.8
96.95885	12.3
97.02814	3.7
97.06455	2.9
98.20641	1.4
99.00761	23.7
101.02331	5.1
109.06465	3.1
111.08025	2.2
113.02333	3.6
119.03308	1.1
123.08074	1.2
125.09627	7.7
144.75363	1.2
161.95222	1.2
163.11172	13.8
165.12682	1.6
169.12221	1.6
171.10178	9.3
181.12280	16.4
183.13835	12.4
195.10184	1.4
197.11729	12.5
199.13338	19.7
201.11211	1.6
207.10207	31.4
208.10576	2.2
209.11850	7.6
211.13452	3.1
225.11281	56.2
226.11601	2.4
227.12839	2.3
235.08034	2.3
243.12358	29.6
253.09264	4.7
277.89423	1.3
291.19730	3.4
309.20700	8.9
325.20322	2.2
327.21902	2.9
461.20132	5.6
479.21387	12.8
753.40216	2.5
771.41724	100.0
772.42157	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	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03318	2.7
59.01250	9.4
61.98693	1.1
69.03316	1.6
71.01249	9.7
71.04906	4.8
71.06777	1.6
71.07117	1.4
73.02824	2.4
83.04898	1.3
85.02826	1.1
87.00764	2.1
89.02332	2.0
95.01218	0.9
95.04925	1.0
95.71527	1.0
96.95881	3.1
97.02836	3.3
97.06465	4.4
99.00765	17.4
101.02324	4.6
109.06476	3.5
111.08038	3.9
111.97281	0.8
113.02319	3.4
119.03376	1.0
123.08028	3.0
125.09631	8.7
142.02592	1.9
153.12753	1.2
161.04507	1.3
163.11218	14.5
165.12766	1.7
169.12318	1.8
171.10210	4.2
181.12291	20.6
183.13866	16.0
197.11781	21.2
199.13345	11.9
207.08347	2.0
207.10222	26.7
208.10654	1.6
209.11815	2.7
211.13414	6.0
225.11290	39.4
226.11534	2.6
227.12897	2.9
231.49577	0.9
235.08377	1.1
243.12369	16.9
249.10977	1.1
253.09222	5.2
287.09271	0.9
291.19638	2.3
309.20834	7.8
325.20111	3.0
327.21790	1.4
343.21506	1.2
405.78622	0.9
445.20490	1.1
450.57355	1.0
461.20374	3.6
479.21417	5.0
609.74609	1.0
615.98529	1.0
753.40967	1.6
771.41748	100.0
772.42096	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	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
59.39386	0.4
71.01250	1.0
71.58031	0.6
73.37593	0.3
78.95786	0.5
79.95615	2.9
81.99255	0.4
85.02797	0.5
92.37914	0.4
96.95893	100.0
97.02798	0.4
99.00730	1.1
125.09638	0.5
158.07909	0.4
163.11119	0.9
165.12787	0.6
171.10152	1.4
181.12299	1.1
183.13795	2.5
185.12042	0.4
197.11789	1.5
199.13234	0.5
207.10194	1.7
209.11765	1.5
211.13344	0.7
225.11267	2.8
227.12729	0.6
243.12331	1.2
246.90874	0.4
253.09166	1.1
291.19666	0.9
309.20731	1.8
310.32544	0.4
485.32629	1.5
491.39313	0.4
527.33881	0.9
578.13257	0.4
673.34882	0.9
770.42279	0.6
771.42010	6.9
772.42694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68607	1.2
55.01753	2.6
57.03321	5.9
58.00463	1.5
59.01252	85.6
62.04330	1.2
64.96903	1.5
68.99673	1.4
69.03331	1.5
69.38062	12.3
71.01255	53.6
72.99195	2.8
73.02824	8.7
73.80143	1.5
74.64238	1.5
75.00757	1.4
77.80735	1.4
77.89850	1.2
83.01259	7.0
85.02824	24.7
87.00760	3.9
89.02325	20.1
95.01262	5.2
97.02857	1.6
99.00770	3.4
101.02332	27.9
111.00755	3.5
113.02341	25.0
119.03410	6.8
124.01549	1.3
125.02325	4.6
129.01854	1.7
143.03418	3.4
154.06444	1.5
159.02887	2.0
161.04480	3.3
242.61145	1.6
361.29721	7.8
505.33817	7.4
523.34723	9.1
631.36206	1.5
667.39111	100.0
668.39471	19.3
685.40167	61.6
685.50659	1.5
686.40906	9.2
727.41223	27.2
728.41522	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	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63331	1.0
64.85406	0.9
68.33909	0.9
73.17699	1.1
100.75370	0.9
107.01272	2.0
109.02833	1.7
112.68308	0.9
127.21999	1.1
135.02211	0.9
151.00270	9.6
163.00314	1.7
178.99811	2.4
199.03912	3.7
203.03471	0.9
215.03471	2.4
227.03468	3.4
230.09373	1.2
243.02998	5.4
255.02972	8.0
271.02487	59.8
272.02863	5.6
283.02191	1.2
284.03253	1.2
299.01968	100.0
300.02673	37.4
301.03491	30.7
302.03726	2.6
315.04938	1.4
317.02502	1.3
462.08063	11.0
463.08957	5.1
530.34802	1.1
609.14600	31.6
610.14984	4.7
675.51038	1.1
771.19873	39.4
772.20001	5.0
775.47290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
60.89176	1.0
65.00208	1.6
69.40458	7.1
71.48801	1.0
82.44422	1.0
83.01274	1.7
98.20573	1.8
107.01270	2.6
108.02074	1.0
110.59689	1.0
121.02876	1.7
128.03448	1.5
148.01509	1.9
151.00278	8.1
163.00342	2.0
178.99786	8.1
193.82420	1.2
199.03905	2.1
221.40419	1.2
226.02629	1.6
227.03479	2.1
243.02928	11.5
244.03506	1.2
251.99562	1.1
254.02342	2.0
255.02975	25.7
256.03497	2.9
271.02493	66.8
272.02899	5.8
273.04224	1.1
299.02005	5.3
300.02750	100.0
301.03360	24.1
306.07693	3.2
346.19055	1.3
771.19946	64.7
772.20001	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	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22837	0.6
59.01254	1.7
65.00208	1.0
71.01244	0.7
71.34447	1.1
80.91649	0.7
83.01288	0.7
83.22363	0.7
107.01276	1.0
120.38052	0.6
123.00726	0.8
124.01551	2.1
137.02345	1.3
151.00281	5.3
152.01024	1.2
159.04408	0.7
163.00258	1.0
164.01038	1.7
165.43497	0.6
168.02101	0.6
169.01324	1.6
178.99811	7.4
180.14709	0.6
185.02350	0.7
192.18683	0.6
203.03421	1.5
213.01787	0.6
214.02635	8.7
215.03195	1.3
225.04659	0.6
227.03531	1.5
231.02939	0.9
232.03764	0.7
242.02203	4.9
243.02989	4.9
259.02457	7.4
260.02832	0.7
270.01663	6.9
271.02466	46.2
272.02795	2.4
287.01965	25.4
288.02502	4.0
299.01859	1.0
311.28604	0.6
315.01501	2.7
316.02219	100.0
317.02811	10.9
442.62003	0.7
771.19879	53.2
772.20178	7.6
778.44952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.199
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91702	3.2
70.92056	2.1
97.46439	1.3
151.00279	5.0
164.14375	1.4
169.02934	1.5
199.03920	4.8
215.03525	3.1
218.51675	1.4
219.81894	1.7
227.03413	4.5
231.28926	1.5
243.02924	6.7
255.02898	3.3
271.02469	66.2
272.02863	4.2
299.01965	100.0
300.02490	13.0
301.03622	8.5
301.06564	1.4
316.02335	2.1
361.53491	1.7
462.08014	19.8
463.08511	4.3
609.14349	8.2
613.13910	1.7
771.19739	38.1
772.19946	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
63.02275	2.2
65.00188	11.7
65.66674	1.9
66.23567	1.7
67.84547	1.8
68.99694	2.4
71.01252	4.2
72.99188	3.0
73.02821	1.9
81.83065	1.5
83.01269	4.7
85.02785	2.0
93.03350	5.0
95.01250	3.9
101.02312	2.1
107.01284	11.8
108.02039	3.7
109.02857	2.0
109.99987	3.3
111.00755	9.2
117.03352	6.5
121.02864	4.6
123.00793	6.8
124.01575	3.7
125.02354	8.6
131.04959	2.7
132.01997	2.0
133.02869	2.6
135.00801	2.6
136.98679	3.1
137.02345	3.6
139.00284	11.6
141.01723	1.8
143.04904	4.9
145.02831	6.0
147.04422	1.9
149.99471	2.9
151.00285	35.9
152.00999	5.2
153.01820	1.7
154.99773	2.6
155.04958	4.5
159.04401	10.0
161.02373	4.1
161.05888	2.2
162.83517	1.5
163.00278	5.6
164.00996	2.8
164.98163	2.2
165.01945	3.7
165.99007	3.2
166.99722	3.0
168.00612	1.9
169.01318	6.5
171.04459	6.8
173.02313	2.1
175.03967	3.6
177.99022	4.9
178.99803	30.8
180.00081	1.7
181.98523	3.0
183.04424	6.7
185.02386	3.0
187.03955	6.0
188.04718	3.1
189.01852	2.0
189.05478	2.0
190.02623	1.8
190.99667	1.8
192.00606	3.3
193.01291	2.8
199.03903	6.0
201.01997	2.7
203.03448	6.2
206.99457	1.8
208.00043	3.6
209.00841	3.6
211.03961	2.6
213.01897	3.0
214.02728	3.0
215.03368	6.9
216.04160	4.3
217.05035	4.8
226.02734	2.4
227.03433	16.9
229.01456	2.0
231.02948	4.0
232.03712	3.2
233.04482	2.1
241.01352	2.9
242.02130	7.2
243.02988	14.2
245.00896	2.1
245.04620	2.3
245.31577	1.5
255.02968	38.5
256.03430	4.0
259.02478	8.6
260.03201	2.0
270.01636	9.9
271.02487	67.7
272.03043	14.8
273.03943	6.8
283.02499	24.4
284.03137	14.4
285.04068	12.3
287.02017	21.5
288.02563	4.5
289.03403	2.4
298.01154	6.0
299.01950	100.0
300.02618	15.8
301.03491	8.7
315.01382	3.5
315.98538	3.0
316.02234	56.4
317.02954	38.4
318.03528	2.0
319.43140	1.8
361.17044	2.0
425.15616	1.7
518.68726	1.7
523.21777	3.4
539.16772	1.7
609.14819	3.2
614.62433	1.9
659.18158	4.7
671.21948	2.8
727.20575	3.3
753.18915	7.1
771.19885	45.6
772.19910	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
65.00193	6.0
69.56856	19.9
81.57281	2.5
83.01269	3.5
85.72367	2.6
89.02295	2.1
96.95873	2.8
107.01256	9.3
109.99957	8.2
111.00753	6.2
116.74620	2.5
117.03347	2.6
121.02831	5.3
123.00769	4.3
125.02361	2.4
126.04174	2.8
137.99460	2.9
139.00270	9.0
140.79196	2.2
149.02376	3.6
151.00282	34.5
152.01051	4.6
163.00175	3.1
165.98999	11.9
166.99696	5.6
169.01324	4.4
171.04498	3.3
173.02472	2.5
175.03854	2.4
178.99808	26.6
187.03859	3.1
199.03906	9.9
199.05560	2.4
201.01898	2.5
215.03389	6.1
217.01454	2.4
227.03380	10.4
243.02945	24.7
254.01978	3.3
255.02975	35.6
256.03198	3.2
259.02454	3.6
270.01642	7.0
270.70493	2.7
271.02472	100.0
272.03024	15.1
273.03818	4.3
280.61563	2.4
283.02332	3.9
284.03186	9.0
287.01913	17.7
288.02628	7.5
299.01935	60.9
299.05542	13.7
300.02734	93.5
300.06158	4.9
301.03458	71.4
302.03745	2.6
315.01477	8.3
316.02225	66.2
317.02725	8.3
447.59064	2.8
463.08890	21.1
463.79764	2.6
609.14551	74.2
610.14606	7.4
753.18378	2.9
771.19788	90.2
772.19879	16.8
774.86127	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32515	1.1
57.03316	2.0
59.01256	7.4
69.03321	4.0
71.01242	7.1
71.04886	3.0
72.99245	1.5
73.02818	1.8
83.01257	1.6
83.04903	1.7
85.02812	1.8
89.02315	1.9
92.65647	1.1
93.99670	1.2
95.04957	1.4
97.02814	3.3
97.06467	2.0
101.02323	5.5
109.06418	1.6
111.08029	3.6
113.02334	2.7
125.09601	3.4
137.09666	1.1
144.00462	1.1
151.11150	2.6
153.12691	1.7
161.04504	2.2
161.09637	3.4
163.11055	1.4
165.12798	1.9
169.12230	2.6
171.10170	4.8
179.10680	8.5
181.12222	1.4
183.13847	7.7
197.11777	82.8
198.12067	2.7
207.10315	1.3
209.11702	2.8
211.13354	3.6
223.09750	1.5
225.11215	3.7
227.12862	1.3
229.69850	1.3
235.08202	1.3
241.10747	4.4
247.20683	1.3
253.09239	4.3
291.19751	8.1
309.20676	6.8
327.21844	1.7
477.19730	2.1
635.84369	1.5
751.39435	2.4
769.40173	100.0
770.40479	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01242	10.2
61.98695	2.8
69.03316	3.1
69.92623	3.4
69.93040	4.1
71.01251	9.5
71.04902	2.2
73.02813	2.3
77.16964	1.3
85.02804	3.4
87.00768	2.0
89.02321	5.0
95.04933	1.5
96.95888	2.7
97.02846	2.4
97.06464	2.7
98.79421	1.3
99.00748	8.2
101.02322	5.5
109.06405	2.3
111.08025	4.0
113.02304	3.8
123.08013	1.9
125.09584	4.8
151.11201	2.9
161.04433	1.8
161.09637	3.3
163.11142	7.0
165.12755	1.7
169.12256	4.5
171.10167	5.5
179.10663	5.8
181.12289	9.4
183.13760	6.7
197.09975	2.9
197.11771	55.6
198.12088	2.9
199.13338	7.0
207.10207	15.3
209.11758	10.1
211.13310	6.3
223.13324	2.1
225.11278	27.0
227.12871	3.5
235.08069	2.4
241.14233	1.4
243.12326	11.6
244.12448	1.3
253.09253	4.6
265.17874	1.4
289.18188	2.0
291.19659	3.0
307.19168	2.8
309.20700	8.4
461.20367	6.1
479.21771	7.2
627.53406	1.6
671.32996	2.1
751.38312	1.7
769.40100	100.0
770.40332	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	769.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.7
59.01252	100.0
67.01758	6.7
68.99672	2.5
69.03331	6.8
69.57322	16.1
70.05509	1.9
71.01260	22.5
72.99171	5.2
73.02819	5.1
81.03318	12.0
83.01263	13.1
83.04910	7.2
85.02827	66.7
87.00749	12.4
89.02318	8.4
93.03342	14.5
95.01273	45.0
97.02841	7.3
98.20526	3.6
99.00740	7.2
99.04379	8.1
101.02316	6.8
103.03884	3.3
108.02085	3.3
109.02843	18.9
111.00768	57.4
111.04443	3.7
113.02329	27.3
118.84292	2.0
119.03361	2.1
120.15462	2.0
121.02866	4.3
123.04376	3.3
125.02325	4.3
127.03911	42.6
137.02364	10.5
139.00270	63.6
139.03893	2.9
140.00648	2.4
141.05452	3.4
145.04947	16.1
149.37625	2.1
149.59035	2.1
151.03911	2.8
153.01894	3.1
155.03394	18.7
157.01292	6.6
163.06046	5.9
167.03369	6.1
169.04955	6.4
171.02800	5.1
175.77869	2.0
177.81345	1.9
179.03401	2.1
181.01399	3.0
184.11046	2.1
199.02423	62.6
217.03447	2.5
241.03528	2.3
241.07098	3.8
253.03474	2.4
259.07889	2.6
285.06192	8.7
299.02005	5.3
301.05557	4.5
303.07214	7.3
306.07721	3.0
314.04382	4.5
315.05045	2.4
319.06732	2.8
335.79617	2.3
345.08261	22.2
364.42188	2.0
387.09311	24.6
388.09729	3.4
405.10355	15.8
465.12546	4.1
480.16614	2.4
493.12091	5.1
547.04510	2.3
551.16174	5.1
569.17957	2.4
579.15961	4.1
769.21674	5.7
785.74261	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	769.2192
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.39557	1.6
60.59553	1.6
62.12933	2.0
66.03843	1.7
69.53613	14.1
77.21855	2.0
83.01273	2.2
107.01258	3.1
151.00252	11.1
157.02850	1.9
159.04361	2.3
173.44511	1.9
178.99792	3.2
183.04453	2.6
187.95436	1.7
199.03935	8.8
211.03969	2.5
215.03461	3.8
227.03406	7.6
229.27701	1.8
232.85762	2.1
242.02061	8.9
243.02940	45.4
244.03366	4.1
255.02946	18.3
257.04517	5.8
270.01700	6.8
271.02460	52.7
272.02921	6.3
285.04117	11.5
286.04776	5.0
290.68271	1.9
299.01953	100.0
300.02628	22.2
313.03522	4.0
314.04321	80.7
315.05026	33.3
316.05658	3.2
725.43140	1.9
769.21960	89.7
770.22198	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	769.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.6
60.71763	8.8
65.00198	16.1
70.02383	34.1
85.16132	7.5
95.01272	9.9
97.23772	8.3
107.01276	15.9
107.14680	7.4
108.01999	8.5
123.00728	9.9
146.03526	7.5
151.00337	42.1
163.00253	22.5
174.03206	16.9
177.01839	9.0
186.03061	11.4
190.78120	8.8
202.02686	17.2
214.02727	22.2
215.03450	24.8
216.40714	8.2
227.03494	8.9
229.97432	8.9
241.01358	28.6
242.02173	30.8
243.02963	27.6
245.00806	11.6
248.91042	7.6
257.00760	12.1
258.01660	16.6
259.02606	20.8
271.02496	32.9
286.01144	25.5
287.02017	100.0
297.00458	14.7
299.01828	20.6
301.03470	13.1
314.00806	10.0
315.01508	94.7
338.81503	8.6
625.13293	10.3
741.19098	36.1
742.19562	10.0
745.31067	10.5
769.18384	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01254	9.1
63.67038	0.6
65.00195	1.3
71.01257	7.3
72.99185	0.9
73.02807	2.0
75.00745	0.9
83.01278	1.4
85.02840	3.5
87.00741	1.2
89.02323	2.9
96.95904	1.5
98.20650	1.5
99.00767	0.7
99.93202	0.6
100.15208	0.6
101.02346	3.6
107.01284	1.6
113.02338	2.7
113.19375	0.7
119.03368	1.0
125.02336	0.8
132.02080	6.5
133.02853	2.3
134.03644	1.3
137.02403	0.6
143.03426	0.8
145.02844	1.2
149.06035	0.8
151.00272	2.9
159.95609	0.7
160.01575	19.7
161.02357	12.7
161.04359	0.9
163.00282	0.9
164.01213	0.7
165.26627	0.6
175.03912	13.4
178.99821	1.2
183.04465	2.3
187.04018	0.9
193.04860	0.7
199.04024	1.2
211.03918	2.2
211.90739	0.6
212.04562	0.8
227.03458	37.0
228.03897	2.1
229.05070	2.3
229.40125	0.8
255.02985	72.8
256.03549	7.5
257.04428	1.8
267.07224	1.1
283.02405	4.4
284.03275	100.0
285.03964	21.1
286.04324	1.2
294.28290	0.7
298.04785	1.9
299.02124	1.6
299.05688	2.5
300.02545	0.8
314.04562	1.0
503.32437	1.4
575.14227	0.8
593.15045	14.3
594.15540	1.8
607.16669	7.7
608.16644	1.4
633.14636	1.1
665.37726	6.6
683.38837	5.2
725.39905	1.6
769.19873	36.7
769.31592	1.4
770.20056	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	767.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95795	0.2
55.17750	0.3
57.03326	0.8
59.01257	2.5
60.99180	16.7
71.01280	0.7
71.58383	0.6
72.99178	1.2
75.00725	0.3
80.18212	0.3
81.03353	0.4
83.04903	1.2
85.02817	0.4
87.00749	1.9
88.00285	4.5
88.98680	100.0
89.02314	7.2
89.99012	0.8
95.01278	0.3
101.02348	0.7
105.89323	0.3
113.02309	0.4
119.03346	0.5
160.03970	4.3
166.02621	0.4
166.26556	0.3
199.88057	0.3
225.16042	0.7
255.55804	0.3
271.02597	0.3
288.10168	0.3
296.91199	0.3
353.52332	0.3
451.33096	0.4
509.50803	0.4
521.62555	0.3
535.95776	0.3
673.46259	0.6
675.48022	0.7
677.49646	1.6
689.46436	0.5
691.47699	0.8
703.25494	0.3
707.48065	0.6
708.48090	0.4
768.22363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74116	0.7
59.01250	14.2
63.90384	0.6
69.93218	3.1
71.01241	2.5
79.95608	0.8
80.37305	0.6
80.89540	0.6
80.96393	6.5
82.95988	1.2
87.00738	0.6
89.02325	1.6
89.03186	0.6
94.97995	1.1
98.19821	1.2
101.02300	2.1
113.02271	0.7
155.10625	0.6
157.36557	0.6
161.04387	1.0
162.05437	0.6
164.98521	0.7
183.13841	6.3
193.12270	1.4
200.58824	0.6
211.13341	100.0
212.13770	4.7
225.00720	1.5
235.08167	1.4
253.09294	5.6
277.21732	50.3
278.22079	4.3
429.21307	0.9
447.22235	5.1
448.22372	1.0
717.90930	0.7
723.40479	0.8
767.41296	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	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93790	8.4
59.01260	77.4
61.98714	25.9
71.01260	61.3
72.99184	15.5
73.02803	9.3
75.00751	32.1
76.95786	7.2
80.96396	8.5
83.01275	10.2
85.02812	44.4
87.00761	20.1
87.61771	10.9
88.98676	9.5
89.02334	19.3
95.01288	10.0
96.95905	46.9
99.00765	22.7
100.41473	8.1
101.02357	22.6
113.02335	66.6
128.07767	8.9
134.52043	8.3
136.78741	7.5
197.11797	17.4
245.22624	9.8
249.06207	23.8
255.93906	8.6
267.07181	71.7
291.19614	10.2
309.20746	60.5
397.13535	17.4
415.14554	13.4
517.19336	56.5
562.15356	9.2
767.31012	100.0
768.32251	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	767.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	1.5
57.03341	2.1
59.01263	7.8
60.99173	11.1
61.98702	2.4
71.01254	4.8
72.99184	100.0
73.02796	1.4
73.99516	1.8
74.12569	1.7
77.99503	1.4
78.65707	1.3
81.03348	1.6
85.02842	2.3
87.00739	3.4
88.00304	2.4
88.98682	81.1
89.02321	31.3
89.99006	7.4
90.02639	3.1
90.99110	7.1
91.00236	6.3
91.02733	2.2
97.02826	2.2
98.19802	5.3
101.02310	6.3
111.08051	3.7
147.06740	1.7
149.77332	1.7
159.11644	1.7
161.04504	2.2
171.10217	1.5
177.12811	9.3
182.31557	1.7
195.12038	3.1
195.13847	56.2
196.14313	2.6
197.11760	13.2
203.10811	2.0
211.13356	2.7
221.11801	2.3
229.52585	2.8
235.08240	2.5
238.43298	1.7
239.12843	5.0
253.09268	5.3
291.19650	6.2
309.20752	11.4
464.15567	1.7
475.21985	5.5
552.34607	1.6
561.60907	1.6
708.93347	2.2
767.42297	56.0
768.42255	11.0
791.99835	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	6.2
59.01256	48.6
61.98705	3.4
68.65251	2.3
70.87982	2.5
70.88316	4.2
71.01260	37.3
72.99187	9.3
74.73877	1.7
75.00762	16.9
75.10284	1.8
83.04893	2.5
85.02824	32.2
87.00766	13.8
89.02310	9.5
95.01251	5.4
96.95880	7.6
99.00761	14.5
101.02303	7.7
103.00242	3.6
107.04886	2.7
109.07143	2.0
113.02336	40.3
115.00245	3.3
117.01832	3.2
129.01842	3.5
146.86615	2.0
157.01241	2.2
161.09630	4.8
161.13275	2.7
163.11086	3.3
171.10007	2.3
175.02382	3.5
181.69102	2.1
187.11220	4.6
189.09210	3.1
205.12221	5.5
207.04950	2.5
207.10228	2.8
223.13289	3.6
249.06099	13.7
267.07242	49.4
267.11856	2.3
268.07501	2.3
291.19678	3.3
309.13000	1.9
309.20813	15.7
341.15955	4.7
397.13434	4.2
415.14362	5.7
455.19275	3.0
472.89203	2.1
499.18265	3.8
517.19281	68.6
518.19592	7.1
591.28021	5.3
749.30457	4.8
767.31226	100.0
768.31293	20.5
797.42194	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	7.0
59.01254	50.7
63.72239	2.0
69.36198	5.1
69.36607	20.4
71.01257	34.1
72.99169	9.4
73.02795	4.5
75.00745	20.8
83.01251	2.7
85.02355	2.8
85.02826	30.1
85.62195	2.0
87.00771	14.2
89.02338	11.2
95.01224	6.6
96.95910	6.5
99.00769	11.3
101.02287	7.6
107.04942	2.4
111.00754	2.9
113.01624	2.9
113.02334	35.9
115.00234	4.8
117.01746	3.3
129.01778	4.0
159.10136	3.8
161.09561	5.5
175.02167	2.6
183.13734	6.1
187.11084	3.7
189.09171	3.0
193.04893	2.8
205.12244	4.7
207.04939	3.1
223.13405	3.6
249.06187	14.4
265.94058	2.2
267.07224	53.8
267.12262	2.8
268.07303	3.2
323.09311	3.3
341.15857	4.7
364.16470	2.2
397.13431	2.9
499.17905	4.4
517.19330	69.9
518.19598	4.6
525.84229	2.8
591.27490	5.9
616.74280	2.4
705.30792	3.6
723.34344	3.5
749.29846	6.7
760.80963	2.5
767.31006	100.0
768.31146	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	767.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
57.03339	7.3
59.01252	52.3
68.99693	1.9
69.13677	1.5
69.67950	5.4
69.68362	3.2
71.01260	30.2
72.99162	7.3
73.02831	1.6
75.00745	24.6
83.01260	2.1
83.04869	1.8
85.02827	31.4
85.03326	1.2
86.03162	1.5
87.00757	9.7
89.02316	8.2
93.03333	2.8
95.01254	6.5
96.39632	1.3
98.19823	3.1
99.00761	12.6
101.02312	3.6
103.00259	3.6
113.02335	39.4
115.00229	2.9
117.01827	3.7
119.94045	1.6
125.05908	1.5
129.01790	1.8
161.13260	3.4
163.11209	1.5
175.02388	3.6
187.11134	3.7
205.07091	3.0
205.12292	2.9
207.10132	3.2
225.41273	1.6
231.05016	2.0
249.06166	15.5
267.07208	24.5
309.08154	3.6
339.12683	1.7
352.32870	1.6
499.18170	1.8
517.19464	3.0
591.22620	4.3
749.24725	5.4
767.26172	100.0
768.26630	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	767.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	7.0
59.01254	50.7
63.72239	2.0
69.36198	5.1
69.36607	20.4
71.01257	34.1
72.99169	9.4
73.02795	4.5
75.00745	20.8
83.01251	2.7
85.02355	2.8
85.02826	30.1
85.62195	2.0
87.00771	14.2
89.02338	11.2
95.01224	6.6
96.95910	6.5
99.00769	11.3
101.02287	7.6
107.04942	2.4
111.00754	2.9
113.01624	2.9
113.02334	35.9
115.00234	4.8
117.01746	3.3
129.01778	4.0
159.10136	3.8
161.09561	5.5
175.02167	2.6
183.13734	6.1
187.11084	3.7
189.09171	3.0
193.04893	2.8
205.12244	4.7
207.04939	3.1
223.13405	3.6
249.06187	14.4
265.94058	2.2
267.07224	53.8
267.12262	2.8
268.07303	3.2
323.09311	3.3
341.15857	4.7
364.16470	2.2
397.13431	2.9
499.17905	4.4
517.19330	69.9
518.19598	4.6
525.84229	2.8
591.27490	5.9
616.74280	2.4
705.30792	3.6
723.34344	3.5
749.29846	6.7
760.80963	2.5
767.31006	100.0
768.31146	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	767.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
57.03322	7.5
59.01249	43.4
59.96971	2.2
62.09169	2.3
65.29585	2.4
71.01255	44.2
71.09731	5.3
72.99183	16.5
73.02823	6.7
75.00747	28.3
79.89861	2.5
85.02827	51.6
87.00755	19.2
89.02338	10.8
95.01241	12.5
96.95900	10.9
99.00757	29.3
101.02345	6.5
103.00237	5.5
111.00784	3.2
113.02328	57.2
115.00243	4.1
116.92904	2.5
117.01833	5.0
117.03354	33.0
119.04922	45.0
123.04385	3.9
129.01855	5.0
145.02859	83.7
146.03215	2.9
147.04401	3.8
148.05209	4.1
157.01341	6.7
159.04486	2.6
163.03926	31.7
173.02325	5.0
174.01692	3.6
174.03032	12.0
175.02356	4.0
188.04790	3.3
209.24821	2.7
209.93266	2.5
214.70923	2.9
225.84320	2.4
235.05865	3.7
239.07050	3.6
240.93282	2.8
249.05997	28.0
250.06230	6.3
251.06979	6.9
263.07147	4.3
264.08020	5.7
265.05014	3.0
267.07156	100.0
268.07339	2.9
279.06616	9.8
279.10083	6.7
280.07333	4.1
282.08994	7.5
283.09778	3.0
293.04642	4.7
293.07947	3.5
294.05511	5.8
294.08969	8.3
308.06818	3.9
309.07617	5.8
321.07468	3.4
322.08380	4.1
323.05508	5.9
323.09225	15.3
338.08029	10.7
339.08658	10.3
341.10324	8.9
351.10764	5.7
353.10251	66.8
354.10666	4.4
371.11374	6.0
395.09991	10.6
413.10886	61.3
413.16135	5.1
414.11084	2.9
485.13107	5.3
573.16748	4.4
574.18378	2.9
585.16425	6.3
591.17151	29.3
592.17468	3.2
603.17242	73.9
604.17584	11.1
621.18121	53.0
622.18567	7.9
631.16327	6.0
737.21002	26.1
749.20844	32.4
750.21228	4.6
767.21649	49.5
767.35046	5.8
768.21771	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	767.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03323	6.3
58.00480	1.3
59.01254	49.3
64.36390	1.3
67.01766	1.8
68.99696	1.6
71.01259	33.6
72.99175	8.4
73.02837	2.6
75.00751	21.3
83.01251	2.6
83.04903	1.4
85.02828	31.0
87.00757	11.8
89.02340	5.8
95.01289	6.8
96.95885	1.6
98.20596	1.7
99.00760	15.2
103.00247	2.3
107.04931	1.3
113.02338	35.7
115.00284	2.6
117.01835	3.0
129.01863	2.5
135.04434	2.0
150.03128	2.8
160.03966	1.2
161.13274	3.4
165.05504	4.3
175.02415	3.4
179.07039	1.1
187.11238	4.8
189.09143	1.6
189.46165	1.2
193.03365	1.3
195.06628	2.6
205.07127	3.4
205.12300	4.6
206.06854	1.1
207.10251	2.5
231.05005	2.0
244.03389	1.5
249.06137	19.4
255.02986	1.8
267.07242	32.5
309.08316	5.1
343.12051	1.5
441.87952	1.2
452.95483	1.3
455.19269	2.7
457.17072	3.6
499.18372	6.6
517.19421	3.4
572.07227	1.4
591.22827	6.0
705.26636	2.0
749.25439	6.1
750.24872	1.4
767.26190	100.0
768.26440	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	765.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02866	0.5
55.01759	1.1
57.03318	2.4
58.00459	0.9
59.01253	21.4
61.98708	0.8
68.99677	1.5
71.01256	23.2
72.99178	3.6
73.02818	1.1
75.00751	15.5
78.95776	0.6
80.96385	0.5
83.01243	2.1
84.02043	0.5
85.02827	13.1
85.99986	0.6
87.00761	3.3
89.01824	1.0
89.02325	12.7
94.36207	0.6
95.01270	2.8
96.95911	1.5
99.00766	12.5
101.02315	3.5
111.00744	0.9
112.01572	1.5
113.02327	9.3
116.92732	6.3
129.01837	0.8
131.03389	2.1
139.00290	0.8
157.01329	2.4
184.05264	0.7
199.07661	1.4
211.13287	0.9
359.56143	0.7
517.33624	1.4
615.38892	1.0
765.44348	100.0
766.44696	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	765.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61177	1.4
57.03320	2.2
58.00468	1.7
59.01255	23.7
61.98684	3.9
63.87616	1.3
68.99682	1.3
71.01256	25.8
71.57716	2.5
72.99176	5.3
73.02833	1.7
75.00740	17.5
78.41159	1.4
83.01254	3.7
85.02822	13.1
87.00695	3.0
89.02305	8.9
95.01255	2.2
96.95883	4.1
99.00747	13.1
101.02318	5.5
113.02335	6.7
116.92735	2.1
118.88297	1.6
131.03381	3.0
171.10223	3.1
175.13429	1.6
211.13316	2.5
223.13286	1.6
241.26305	1.5
399.47641	1.7
497.76566	1.5
654.88068	1.7
659.91180	1.8
765.44324	100.0
766.44684	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68460	3.8
57.03318	8.7
58.27943	2.4
59.01252	85.9
68.99695	4.8
71.01256	60.9
72.99188	13.6
73.02827	15.4
75.00750	37.2
83.01251	7.5
83.94823	2.3
85.02826	50.5
87.00747	13.3
89.02337	12.5
93.03331	3.7
95.01283	10.5
96.95881	5.4
99.00754	29.3
101.02312	13.8
103.00248	4.3
113.01526	3.1
113.02328	59.6
117.03346	33.9
119.04926	53.3
120.05180	2.5
121.02877	4.8
121.84693	2.9
123.04382	4.8
129.01826	3.2
143.10677	12.8
145.02855	95.8
148.05074	2.7
157.01317	3.5
163.03920	39.0
168.59784	2.5
173.02452	5.5
174.03137	9.9
175.02379	8.0
175.03781	3.5
202.02686	3.0
207.05086	3.1
207.08128	3.3
217.05003	5.1
229.36412	3.1
231.05013	3.2
237.05533	4.6
239.07213	2.9
249.06100	32.4
250.06354	4.8
251.07079	6.4
263.07193	7.3
264.07816	6.6
265.05301	3.6
267.07162	100.0
268.07434	4.7
277.05295	3.9
279.06598	12.1
279.10245	5.4
280.07379	9.3
281.08487	3.1
282.08896	6.3
284.03250	3.3
293.04660	4.9
293.08194	3.8
294.05609	4.1
294.08990	8.8
308.06955	8.5
309.07593	8.1
322.08347	2.9
323.05594	9.3
323.09308	17.3
338.07983	11.1
339.08777	7.6
341.10257	6.5
351.10712	3.7
353.10330	57.3
354.10645	6.2
371.11569	5.7
395.09814	10.4
413.10907	55.8
414.11218	5.6
485.12979	3.7
573.16357	3.1
578.95367	3.2
585.16107	5.7
591.17285	21.8
592.18347	2.8
603.17303	67.4
604.17346	9.9
621.18243	58.6
622.18372	4.9
631.16534	3.5
737.20782	27.0
738.21118	5.6
745.96155	2.7
749.20978	37.1
750.21893	4.2
750.49072	3.6
767.21527	57.3
767.32941	4.7
768.22198	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	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	2.8
59.01252	47.9
64.31351	2.3
69.03316	3.3
70.64736	8.3
71.01256	50.0
72.99194	4.9
73.02813	9.2
75.00738	5.4
79.95595	3.2
80.96409	4.4
81.03336	7.2
83.01266	7.6
83.04935	4.5
85.02827	12.4
87.00764	8.8
89.02323	29.0
95.04928	2.6
96.95856	2.9
97.02858	8.6
97.06498	3.1
99.00800	6.2
101.02317	29.0
102.36192	2.7
113.02303	14.7
116.13126	2.5
119.03380	12.4
119.87852	2.5
123.04426	3.7
123.08039	3.0
125.02346	10.0
125.09624	8.2
137.09615	6.1
143.03392	4.7
161.04509	6.5
163.11206	7.1
165.12697	3.6
171.10161	4.6
179.05557	7.5
185.11745	6.7
191.10716	3.7
191.14351	8.0
207.10277	5.3
209.11784	26.5
217.15979	2.8
225.11331	3.4
227.12796	3.6
235.08246	10.5
245.19095	18.6
253.97386	2.7
261.52148	2.9
263.20047	4.8
271.17169	3.2
289.18109	85.1
290.18381	5.7
307.19168	100.0
308.19415	9.5
322.59006	2.6
369.29291	2.7
397.13461	45.8
415.14581	46.4
416.14767	2.8
439.41534	3.2
492.93936	3.4
607.26349	3.8
705.33496	7.4
765.30670	4.3
765.43396	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	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.1
63.96103	1.8
70.88633	2.2
71.01253	7.8
73.02810	2.0
78.98470	6.2
79.95602	11.1
80.96391	72.2
85.02829	2.2
87.00746	2.7
94.97961	15.8
95.01347	0.9
97.02841	1.5
97.84114	0.8
101.02332	3.0
106.97957	3.9
115.99036	0.7
122.97446	3.1
125.02303	2.6
127.00575	0.8
134.97493	5.5
136.99048	1.7
138.97003	0.8
142.73178	0.7
148.99059	5.8
152.03586	0.8
152.98535	5.7
164.98537	12.1
165.65399	0.8
166.55162	0.9
183.13840	3.6
206.99605	2.7
209.96674	0.7
225.00687	19.4
226.01112	1.0
255.23154	1.9
509.17004	2.6
537.27167	1.2
581.62720	1.0
765.40967	100.0
766.41449	17.5
766.54596	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80224	0.2
59.01244	0.4
60.24358	0.2
60.99179	17.6
61.98699	0.5
69.84924	0.2
71.01253	0.5
73.64290	0.2
75.02693	0.2
78.85526	0.2
78.95724	0.2
83.62025	0.2
87.00742	2.9
88.00284	4.1
88.00833	0.3
88.01080	0.4
88.98679	100.0
89.02317	16.2
89.29887	0.2
89.99022	1.0
130.17969	0.2
143.34039	0.2
145.13054	0.2
148.84129	0.2
158.15504	0.3
173.17693	0.2
229.29303	0.3
249.42159	0.2
273.93655	0.2
277.21747	0.9
279.92569	0.2
366.84268	0.2
397.13586	1.4
415.14783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
60.99179	17.4
64.49059	0.4
65.28664	0.3
71.01250	1.0
84.29723	0.4
87.00759	6.3
88.00269	4.7
88.01088	0.7
88.98679	100.0
89.02318	31.7
89.99027	0.6
90.02652	0.5
125.02296	0.4
125.21716	0.3
132.95422	0.3
180.07875	0.3
185.89447	0.4
211.13297	0.5
277.21756	1.7
278.22092	0.6
397.13477	1.6
415.14633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17945	6.7
57.03316	11.9
59.01255	77.1
61.98698	18.4
69.55176	11.1
69.55586	36.3
71.01252	59.3
72.99186	9.6
73.02814	11.3
75.00758	35.0
77.43394	6.1
83.01289	12.9
85.00853	5.6
85.02811	33.0
87.00731	9.8
89.02317	37.5
96.95899	23.9
99.00758	17.4
101.02319	22.9
102.99622	6.5
113.02338	31.2
119.03421	13.4
125.02325	9.2
125.09595	6.9
137.09599	7.0
161.04448	7.7
171.10117	15.3
179.05498	8.9
185.11734	13.1
209.11751	14.7
211.13364	17.1
213.42502	5.7
227.51523	7.3
228.88176	6.3
235.08348	6.7
245.19046	16.6
289.18091	88.6
307.19141	100.0
397.13501	52.3
415.14612	40.8
541.79108	8.2
555.09216	8.2
579.15948	6.7
647.37708	38.6
705.34149	10.2
764.42847	13.1
765.44055	55.8
768.11749	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	763.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03332	6.0
59.01253	7.6
61.98674	0.8
67.01745	0.9
68.99686	0.9
70.15385	1.9
70.15794	2.1
71.01260	8.5
72.99176	4.3
73.02822	1.6
75.00750	41.1
79.95608	1.1
83.01263	2.1
85.02826	27.3
87.00742	2.0
88.98652	1.2
89.02319	2.0
95.01250	2.4
96.95861	1.8
99.00767	3.4
101.02331	2.0
112.01524	1.5
113.00347	0.8
113.02334	12.7
115.00265	0.6
129.01810	1.0
134.40646	0.7
152.36957	0.8
157.01300	1.0
171.10240	2.7
183.13760	0.8
211.13316	3.8
212.00133	0.7
243.07498	0.8
288.58255	0.7
397.13428	0.9
455.35297	4.9
509.36255	2.2
569.38269	2.7
631.38519	1.6
763.42792	100.0
764.43140	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	763.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
58.00456	2.0
59.00948	1.6
59.01250	26.7
61.98682	0.9
68.99678	2.7
70.12440	3.1
71.01257	26.0
72.99172	2.7
73.02802	0.7
75.00751	16.0
79.95609	1.5
83.01254	2.9
85.02826	9.4
87.00739	2.2
88.98665	1.4
89.02320	12.2
90.02705	0.7
95.01268	3.5
96.95878	1.4
99.00760	14.6
101.02332	5.5
106.21399	0.7
109.97868	0.7
113.02342	7.5
129.01889	1.1
131.03415	2.7
139.00290	0.7
149.04500	0.8
157.01338	0.7
171.10153	1.9
194.82236	0.8
211.13292	2.2
267.73215	0.7
344.33005	1.0
397.13345	1.1
453.33704	2.4
455.35602	0.9
763.42761	100.0
764.43140	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	763.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03326	5.2
59.01257	7.7
61.98701	0.5
64.43834	0.6
66.23933	0.4
67.01754	0.8
68.99691	1.2
69.03366	0.5
71.01261	7.9
72.99187	3.8
73.02818	0.9
75.00751	35.1
83.01267	1.9
85.02826	25.0
87.00750	2.3
89.02314	1.4
95.01253	3.0
96.95903	1.0
99.00768	3.1
99.01328	0.6
101.02334	1.7
112.01566	1.0
113.02338	12.7
115.00271	1.1
115.23804	0.4
117.01864	0.8
119.04899	0.5
125.02379	0.5
125.18519	0.6
129.01830	0.8
129.52850	0.5
131.03400	0.6
135.01433	0.5
157.01314	0.8
167.04111	0.5
169.03217	0.5
171.10196	1.4
175.02374	0.8
211.13303	0.6
226.99026	0.5
397.13538	0.9
537.11902	0.5
672.41827	0.5
763.42761	100.0
764.43170	22.5
764.57330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
56.57053	0.5
57.03334	1.3
58.00463	0.9
59.01251	20.7
68.99683	1.7
71.01255	24.3
72.99180	1.6
73.02817	0.9
75.00749	8.1
80.96397	1.1
83.01265	2.1
85.02825	6.4
85.99973	0.6
87.00755	1.5
89.02319	10.5
95.01274	2.7
99.00763	15.1
101.02319	3.0
104.08470	0.6
111.00762	0.6
112.01533	0.9
113.02332	6.1
131.03365	0.6
157.01292	1.6
171.10162	1.1
211.13289	0.6
258.17896	0.5
333.59839	0.5
389.11163	0.6
409.34802	2.2
410.34790	0.5
418.58057	0.6
453.33676	1.1
455.35059	0.9
523.38696	0.6
613.37598	1.6
638.37012	0.5
719.43304	1.5
763.42804	100.0
764.43060	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	763.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03327	2.3
58.00465	0.8
59.01248	12.6
67.01745	0.4
68.99689	1.4
70.37209	1.3
71.01255	18.0
72.99184	1.1
73.02818	1.0
75.00745	11.5
83.01259	2.3
85.02824	11.9
85.99956	0.4
87.00773	0.5
89.02316	5.2
95.01263	2.8
99.00760	12.5
101.02290	1.1
112.01585	0.5
113.02341	5.1
113.03088	0.6
114.64304	0.4
115.00214	0.6
157.01350	1.1
283.24298	0.4
437.34225	0.7
453.33694	3.4
454.34045	0.7
455.35294	8.0
456.35867	0.7
497.36334	1.2
523.37555	0.6
537.35791	1.4
569.38446	7.4
570.38434	1.0
587.39728	0.8
613.37677	4.4
614.37762	0.7
763.42731	100.0
764.42993	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	763.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03336	5.9
59.01255	7.2
64.28502	0.6
67.01747	0.6
67.20215	0.5
68.99681	0.9
70.25835	0.6
71.01262	7.0
71.38426	0.9
72.99184	3.1
73.02811	2.2
75.00751	35.7
83.01256	2.0
85.02827	27.9
85.99986	0.6
87.00758	1.8
89.02317	1.3
95.01272	3.6
99.00751	3.3
101.02309	2.8
109.40628	0.6
111.00749	0.6
112.01553	1.1
113.02336	16.0
129.01839	0.9
141.06885	0.6
157.01279	1.4
161.04446	0.8
270.04016	0.6
471.94977	0.6
570.61133	0.6
763.42786	100.0
764.43176	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	763.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	34.1
65.57611	4.7
71.01261	40.0
71.12550	5.1
71.12862	7.8
71.35670	5.7
73.02826	5.2
78.95787	12.0
87.00750	9.0
89.02321	25.9
101.02320	29.1
113.02318	12.7
119.03388	8.9
125.02284	8.6
128.57516	5.1
133.26624	5.1
152.99400	5.8
161.04451	8.7
171.10178	5.1
214.19292	4.7
214.33319	4.9
223.13380	7.4
235.08270	10.9
277.21729	22.7
305.21426	7.9
305.24771	73.3
306.25079	9.1
310.79807	4.9
397.13455	100.0
398.13809	7.8
415.14465	32.9
763.42035	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	763.4272
Annotation	Scaberoside B1
Peak:m/z	Relative Intensity
54.32575	0.5
57.03316	1.4
58.00461	0.8
59.01251	18.9
63.26656	0.5
68.99689	1.2
71.01254	16.8
71.49367	0.9
72.99179	1.2
73.02802	0.7
75.00753	7.8
76.16512	0.5
83.01254	0.7
85.02821	6.0
87.00721	1.1
89.02328	6.0
92.40778	0.4
95.01269	2.4
99.00760	11.4
101.02299	1.7
113.02332	4.9
118.07074	0.5
131.03365	1.5
157.01257	1.2
176.86899	0.5
226.29094	0.5
249.06023	0.6
344.15176	0.5
361.79568	0.6
407.33841	0.5
453.33578	3.8
455.35193	6.6
456.35648	1.1
497.36380	0.6
523.37994	1.3
537.35803	1.5
569.38550	3.9
587.39380	1.2
613.37646	6.2
614.38177	0.8
701.42700	0.9
763.42743	100.0
764.43054	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	763.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20734	1.5
53.52936	1.2
59.01254	48.4
71.01276	2.1
82.02879	4.4
94.02872	43.2
96.04411	2.9
96.95866	2.3
106.06483	7.8
108.04469	2.9
120.08090	33.1
122.06016	6.1
131.94621	1.5
132.04459	2.7
134.06023	53.1
134.76508	1.4
136.03905	1.7
138.05525	17.4
150.05499	2.3
152.07062	7.0
159.19612	1.7
160.03897	1.9
161.04527	1.5
162.05432	2.2
174.05527	3.1
194.08182	3.3
215.11923	2.2
221.10829	2.7
223.08749	3.9
224.09630	1.6
227.11823	2.0
227.52856	1.7
235.08769	1.9
236.09512	3.9
237.10306	5.3
239.11865	4.1
249.10294	7.9
251.08336	2.0
251.11882	11.2
253.13345	2.3
263.08289	9.7
263.11630	3.2
264.09009	10.3
264.12296	2.2
265.09781	4.7
265.13342	1.7
276.09045	3.3
277.09964	12.1
278.10541	8.0
279.11383	38.9
280.11832	3.7
285.07477	2.1
290.10593	2.1
291.11407	17.8
292.12073	6.5
293.09448	2.6
293.12778	2.3
305.09302	7.9
305.12833	4.7
306.13220	1.6
307.10947	3.8
322.09637	2.4
323.10410	6.6
324.11063	2.7
337.12027	5.0
356.13977	2.0
356.17862	2.2
370.15610	2.9
371.16165	3.4
376.16599	1.8
384.17227	11.1
385.17853	2.3
386.18781	5.3
398.14536	2.6
398.19049	3.6
399.19522	2.4
400.20502	2.3
425.17538	2.2
426.18219	12.0
427.18799	4.5
430.17636	4.4
444.19272	7.1
452.15887	2.9
470.16901	3.0
471.17886	7.0
472.18515	2.1
486.20358	5.9
490.19797	2.0
502.19522	5.2
503.20438	2.6
504.21359	6.1
530.19336	30.4
531.19934	15.0
562.21967	59.9
563.22083	7.7
565.24969	2.2
583.25159	4.1
585.23987	1.9
609.23444	7.3
625.26703	6.6
627.24548	18.7
628.24756	3.8
643.27344	8.0
644.27155	2.5
659.27484	9.3
669.25629	22.3
670.26556	3.7
687.26733	100.0
688.26917	14.0
701.28156	7.4
719.29474	19.6
720.29797	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	761.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58111	0.7
55.01735	1.4
56.02702	0.7
57.03311	2.6
58.00457	1.0
59.01252	17.7
59.27483	0.7
61.96153	0.6
61.98706	4.7
68.99692	2.0
71.01256	23.8
72.99169	2.7
73.02804	3.2
75.00750	18.1
83.01247	2.4
85.02344	1.2
85.02821	17.0
87.00736	2.3
89.02325	8.7
95.01270	3.8
96.95864	1.8
98.20577	1.7
99.00759	13.4
101.02323	3.4
112.01527	0.7
113.02338	9.0
114.93288	1.3
129.01787	1.6
131.03351	2.4
157.01302	1.3
160.44365	0.7
171.10156	0.8
229.31036	0.7
451.32034	1.1
453.33795	1.9
643.42078	2.3
761.41479	100.0
762.41895	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	761.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65583	1.6
57.03313	2.0
59.01250	16.6
61.98689	1.8
66.03369	1.9
66.33040	1.3
71.01257	4.9
71.02380	2.8
71.58530	3.1
72.00787	4.6
73.02811	2.2
74.02345	3.3
75.00740	2.2
76.14136	1.7
76.32594	1.3
82.06510	2.8
83.01250	1.6
85.02844	3.1
87.00742	1.4
93.03340	7.0
96.95908	3.8
98.02381	2.6
101.02390	1.6
106.06525	1.9
108.02104	1.4
110.02353	2.9
111.01899	19.3
111.04415	4.6
113.02353	3.0
113.07117	7.5
116.04894	2.0
119.04926	17.3
120.08070	2.9
122.05999	2.2
125.02361	8.1
127.08665	6.4
129.10251	10.4
134.06053	9.1
136.03979	1.5
136.07603	3.0
137.02388	2.2
139.08627	2.8
140.07120	2.0
146.06029	2.0
152.03410	2.2
152.06979	1.8
153.06567	7.0
155.08174	14.1
163.03944	10.6
167.06070	6.4
167.08141	3.4
171.10156	2.5
180.06598	41.2
181.06857	1.5
181.13409	7.3
183.13834	26.0
209.13063	2.3
224.14009	5.5
226.15598	3.6
229.09801	2.3
229.13536	1.7
235.08394	1.5
241.13545	2.7
242.11879	2.9
247.14429	2.0
249.16115	4.5
255.11311	2.2
257.04520	2.0
257.12869	4.0
258.08948	2.1
259.14511	6.1
265.08527	6.0
273.12573	1.9
277.09857	2.0
281.12933	1.6
283.09457	2.0
285.04013	10.1
286.04602	1.8
293.15048	5.4
295.10834	2.1
301.12021	4.0
301.16595	14.9
319.13000	10.3
337.22604	9.2
340.77411	1.5
343.11743	3.5
357.13666	2.0
367.13232	2.4
379.20090	7.0
416.16141	2.6
430.17926	1.7
440.21921	6.7
491.23001	2.0
518.29907	5.7
551.28748	33.3
552.29596	3.5
578.27295	3.6
581.24493	2.0
599.24658	1.9
625.18225	2.8
641.26813	8.5
644.36115	1.7
683.18439	2.8
685.25049	12.8
686.25366	2.9
717.27979	15.3
718.28357	4.5
743.40820	3.0
761.42450	100.0
762.42926	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	761.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	37.6
70.23174	6.3
71.01239	4.4
72.56025	1.3
75.00731	1.5
80.04919	4.8
81.84286	1.4
83.04871	1.6
85.02797	1.6
87.00755	1.6
92.79229	1.5
94.02859	4.2
96.95876	4.1
106.06505	6.5
108.04461	4.1
119.04850	1.5
120.08036	2.8
122.05993	6.6
124.03918	4.6
132.04417	1.4
134.05150	2.1
134.06032	24.0
136.03915	6.7
137.02332	1.5
138.05492	4.7
146.05998	1.5
147.05534	3.9
148.03897	1.6
150.03082	2.9
150.05544	10.7
152.07039	3.6
160.03925	1.8
165.05481	2.9
174.05463	4.2
175.04999	4.2
190.05032	2.4
195.06599	2.2
201.10278	15.2
209.11592	1.7
211.08635	2.1
213.10277	9.1
223.08676	2.7
227.11821	8.9
229.09784	21.5
229.13321	10.9
237.10258	1.7
239.11819	9.7
245.12828	2.5
247.10762	3.6
253.09648	1.5
255.11246	7.0
257.12881	8.9
259.10690	2.0
265.09543	1.8
267.11200	3.0
273.12399	4.9
277.09796	6.6
279.11380	3.1
287.13889	3.3
289.11942	3.3
293.09167	2.2
295.10956	3.8
301.11874	21.9
302.12357	2.3
305.09372	4.2
307.10791	2.8
309.12396	4.9
317.11606	1.7
319.12982	100.0
320.13232	4.5
327.13528	5.4
337.11993	2.7
355.12756	4.6
365.11478	4.6
372.13538	3.2
374.15076	10.4
391.15265	3.5
392.15933	11.3
397.13840	4.1
403.14542	3.2
416.16406	7.6
416.21204	1.6
434.17136	6.5
479.11984	1.6
539.22888	2.6
563.22888	5.2
573.26947	2.3
581.24030	12.2
583.22546	1.6
599.24969	24.6
600.25818	3.2
617.26141	3.0
623.24963	3.5
625.22711	12.1
626.23395	2.1
641.26172	70.3
642.26514	12.3
643.23798	2.5
644.24615	4.1
657.26025	2.7
667.24481	2.9
685.25201	85.5
686.25372	16.3
717.27740	21.6
718.28162	3.0
761.41846	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	761.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26286	1.8
59.01254	46.4
61.13180	1.5
62.65538	1.8
71.01247	3.9
71.58050	4.3
72.99184	2.8
80.04936	4.1
80.79669	2.0
83.04882	2.7
85.02839	3.5
87.00768	2.5
94.02874	6.2
95.04913	2.1
96.95900	8.3
98.02361	6.9
103.79054	1.9
106.06509	7.2
108.04451	4.5
110.02367	14.2
111.04408	13.7
120.08076	13.9
122.06005	10.5
124.03983	2.4
130.06438	2.2
132.04424	3.2
134.06007	33.2
136.03934	7.7
138.05504	3.4
147.05556	3.7
150.05534	13.6
152.03474	10.2
152.07101	3.8
154.04906	2.2
157.15596	2.1
160.04025	3.7
161.04752	2.4
162.05589	3.4
165.05463	2.3
168.06607	2.5
171.10234	2.2
174.05573	4.6
176.03326	2.4
179.73085	1.8
190.05075	6.2
201.10223	15.3
205.36530	2.2
213.10289	5.5
225.10590	2.4
227.11966	6.8
229.09807	15.5
229.13422	4.8
237.10280	4.5
239.11745	3.9
240.04175	2.2
249.10451	2.2
251.11972	3.1
255.06654	7.8
255.11415	15.6
257.12958	4.7
265.09866	5.6
270.09103	5.6
271.09763	3.2
273.12540	3.8
277.09842	7.5
278.10464	2.5
279.11493	4.5
281.12894	3.7
291.11295	3.0
292.08661	2.2
293.13022	2.2
295.10748	4.3
301.11957	35.4
302.12381	2.3
305.09311	4.1
307.10910	7.0
308.11462	3.1
309.12482	3.0
319.12964	38.5
337.11926	6.4
357.13443	2.6
358.12024	4.3
359.12418	2.2
365.11404	5.4
367.12988	8.9
372.13348	4.2
373.14374	4.0
374.15115	11.3
386.11490	3.0
392.15961	4.0
397.13947	20.0
398.14758	3.2
400.12827	5.6
416.16238	23.6
417.16614	3.1
430.17758	14.0
434.16974	3.9
521.22076	3.0
563.22821	7.6
573.18018	2.2
581.23993	10.1
599.25092	14.8
607.21594	3.1
623.24902	18.1
625.22845	9.9
641.26147	48.0
642.26367	6.0
657.25623	2.6
667.24164	11.9
673.29767	2.3
685.25055	100.0
686.25299	13.5
699.26495	3.1
717.27673	26.0
717.38385	2.8
718.28296	5.7
734.92694	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	761.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10299	2.9
54.17752	3.7
59.01256	59.2
69.41304	31.1
71.01240	4.0
80.04932	3.4
83.04910	3.8
85.02808	4.6
87.00797	5.1
89.80868	2.9
93.03320	3.8
94.02866	7.7
96.95878	9.1
98.02372	7.0
98.20504	5.2
104.04991	3.1
106.06514	10.7
108.04430	7.2
110.02354	16.3
111.01869	8.0
111.04407	19.5
113.02351	5.5
119.04923	9.6
120.08089	18.2
122.05999	13.9
124.03899	6.6
125.02332	13.2
129.10196	6.2
132.04393	5.1
134.06033	41.5
136.03917	6.0
136.07501	4.9
137.02348	4.3
138.05496	6.4
145.02768	4.0
147.05591	4.0
148.03877	3.8
150.05518	17.5
152.03429	15.1
152.07056	3.7
154.04984	9.0
155.08162	5.5
159.98123	3.6
163.03880	3.5
167.06026	7.2
168.06557	4.6
174.05576	8.1
180.06569	15.1
186.12784	4.4
190.05037	5.8
201.10214	16.5
210.84117	4.1
213.10268	9.4
214.12343	4.2
223.08856	3.6
224.13518	3.6
225.10223	5.4
227.11832	10.8
229.09827	19.6
236.09547	3.5
237.10184	6.0
239.11806	5.2
251.11847	4.8
255.11383	16.6
257.12833	5.1
262.25867	3.7
265.09799	6.2
273.12518	7.5
277.09912	5.9
277.13208	4.1
279.11411	6.6
281.13046	5.3
285.04059	8.3
292.08432	4.2
295.10788	6.0
301.11856	35.3
305.09448	4.4
307.10739	9.6
319.12976	46.6
320.13062	3.7
337.11996	6.6
355.13071	5.9
356.13812	6.8
358.11938	6.7
367.12869	11.4
368.13568	4.0
370.15637	4.0
372.13443	6.5
374.15030	10.0
392.15961	7.3
397.13919	15.9
415.14508	4.2
416.16187	28.2
430.17783	12.5
431.17862	3.8
434.17059	8.6
480.30997	5.2
496.11722	3.9
551.28687	9.7
563.22559	7.5
573.26904	4.4
581.24054	12.7
599.25269	16.8
599.36682	5.4
600.24994	3.9
602.48523	4.0
623.25037	10.9
625.22650	10.0
641.26202	54.9
642.26086	8.3
644.25391	4.3
667.23956	7.1
673.28107	3.8
675.26123	3.9
685.25079	87.7
686.25500	13.6
717.27698	100.0
718.28113	14.2
761.42804	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	81.3
60.93641	3.6
66.52439	3.6
69.63483	14.2
69.63911	17.5
71.01249	9.4
72.22676	4.0
73.02824	4.9
80.04940	5.2
85.02805	5.0
93.74450	3.7
94.02834	3.7
94.99898	4.4
96.95893	14.2
98.02370	6.9
98.20534	5.2
101.02323	8.2
106.06465	9.0
108.91357	4.2
110.02361	15.0
111.04405	18.1
120.08083	10.7
122.05991	18.2
134.06041	52.9
136.03955	12.7
150.05510	16.8
152.03429	17.3
152.07060	4.9
160.01672	4.5
161.04771	4.6
167.27727	4.1
174.05588	10.4
190.48648	4.1
201.10338	11.9
213.10184	5.7
227.11884	16.5
229.09827	10.7
237.10289	10.6
239.11909	5.7
249.10329	8.5
251.08386	5.8
251.11998	4.3
255.11401	18.8
265.09726	8.4
267.11475	5.3
271.06058	4.9
271.09888	4.0
273.12549	9.4
277.09726	11.6
279.11444	12.7
281.12854	7.1
285.07507	7.6
291.11530	5.2
295.10986	7.6
300.09982	8.1
301.11902	23.4
305.08981	6.6
307.10840	13.0
308.11505	5.7
317.11703	4.5
319.12976	40.6
331.11981	5.8
355.12891	8.0
365.11597	5.4
367.13058	15.8
370.15567	5.0
372.13461	9.2
373.14304	9.2
374.15149	14.0
392.16061	6.7
397.14063	16.0
398.14301	5.1
400.13007	8.3
403.14108	4.4
415.14905	6.3
416.16135	34.4
417.16238	5.0
430.17578	26.0
434.17087	10.6
488.22626	5.0
521.21716	5.2
537.24921	4.3
539.23273	7.2
563.23071	17.6
581.24194	18.9
582.24182	7.1
599.25018	26.9
600.25256	6.7
607.22748	7.4
623.24774	30.0
624.25269	6.3
625.23059	8.9
641.26257	67.3
642.26556	10.8
643.25031	4.9
644.24982	11.5
667.23950	12.5
685.25055	100.0
686.25708	18.6
717.27917	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	761.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59732	2.0
59.01255	44.8
69.48043	5.6
69.48450	12.4
71.01253	2.7
80.04929	4.5
83.04870	2.2
94.02908	2.5
94.06540	2.8
96.95914	4.6
98.02380	4.6
106.06522	7.4
108.04456	3.6
110.02382	14.4
111.04417	13.0
120.08083	9.9
121.05224	2.6
122.06042	11.5
124.03956	3.8
125.73150	2.1
130.06548	2.4
131.48087	2.3
132.04448	4.5
134.06020	39.3
136.03952	5.7
137.04750	2.7
138.05449	3.1
150.03149	2.5
150.05515	20.1
152.03468	12.0
152.07080	6.2
152.36227	2.1
154.05046	2.2
160.03986	4.7
161.04750	3.5
162.05489	4.0
168.06520	5.7
174.05534	8.7
190.05046	3.3
201.10266	10.2
211.08730	2.6
213.10281	6.1
225.10269	3.3
226.76939	2.3
227.11891	10.1
229.09865	12.2
229.13441	6.7
235.08688	2.7
237.10306	5.7
239.11906	3.8
240.04201	8.4
240.07851	3.3
241.04910	3.9
241.09715	3.0
251.08241	2.7
251.12077	3.1
253.09721	2.1
255.06630	29.2
255.11284	21.6
256.07257	4.9
257.13004	4.2
263.08203	3.6
264.08917	2.7
265.09860	7.6
270.08948	20.3
271.09735	14.3
273.12421	5.4
277.09872	4.9
278.10623	2.8
279.11459	8.0
281.12949	7.2
285.07751	3.9
287.10190	2.9
292.08362	2.5
293.09280	2.1
295.10928	8.5
301.11786	30.4
305.09390	8.6
307.10901	9.9
309.12430	3.1
317.11548	3.2
319.12982	25.7
321.12216	2.3
355.12982	11.1
358.12006	6.4
365.11453	3.8
367.13065	7.7
368.13657	3.9
370.15680	6.1
372.13577	6.9
373.14270	2.9
374.15103	11.6
392.16312	3.9
397.13959	11.1
400.13000	7.0
416.16223	36.2
417.16617	4.4
430.17865	20.8
434.17264	6.2
488.22165	4.0
492.18433	2.9
539.22900	4.0
563.22980	9.1
581.24084	14.7
597.27386	2.8
599.25177	21.5
623.25128	20.0
625.22900	9.2
641.26227	54.5
641.99329	2.5
642.26697	7.9
643.24396	7.1
644.24805	4.6
645.24536	2.4
657.25555	2.5
667.24170	15.7
670.22644	2.6
673.28723	4.4
685.25153	100.0
686.24890	15.2
699.27094	3.2
717.27936	25.1
718.27753	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	760.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97260	2.6
59.01253	19.3
61.98693	7.3
65.81384	2.6
70.87065	6.5
71.01256	12.6
73.75822	2.4
75.00734	4.3
79.07355	2.4
82.95289	100.0
83.02380	40.5
84.00787	63.9
84.01908	9.2
84.94993	45.5
85.00305	7.3
87.00746	3.5
88.93315	2.4
89.02312	9.4
96.15085	2.5
97.02829	3.5
101.02316	9.6
113.02285	5.3
119.03391	5.4
121.74992	2.7
125.02326	3.6
128.90071	5.0
193.12946	2.6
235.08163	6.1
277.21725	33.1
397.13461	39.8
398.14413	2.6
415.14716	17.5
437.64243	3.2
700.33197	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	761.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97486	3.4
58.66743	3.5
59.01255	74.7
63.98886	3.7
68.29678	3.6
71.01260	6.5
71.58463	5.4
79.51012	3.5
80.04919	6.8
83.04898	6.2
88.05541	3.7
96.95904	13.7
98.02358	6.2
101.02346	3.5
106.06522	11.2
108.04411	4.5
110.02377	21.8
111.01893	7.9
111.04409	21.2
119.04929	7.4
120.08096	18.6
122.06023	14.6
125.02357	3.8
127.08762	4.3
129.10179	5.6
133.73276	3.6
134.06020	44.3
136.03908	9.5
136.07654	3.6
138.05562	8.0
150.05521	20.0
152.03429	11.3
152.07111	8.1
155.08115	6.4
161.04758	5.2
163.03880	5.2
168.06639	4.3
171.10239	6.6
174.05495	9.8
180.06573	16.1
190.05049	7.4
190.98933	3.6
201.10307	13.0
209.11755	5.5
211.08691	4.5
213.10323	7.9
225.05623	7.4
227.11874	10.3
229.09816	15.9
229.13467	10.9
239.11888	5.2
249.10359	5.1
251.11923	4.3
255.11397	16.7
257.12970	5.3
259.14581	6.5
265.09787	5.8
271.09680	10.2
273.12415	10.0
277.09869	7.4
279.11377	9.4
281.12830	6.0
291.07733	4.6
291.11032	4.2
294.10089	4.1
295.10864	9.8
301.11923	39.9
307.10910	11.4
317.11493	3.9
319.12970	35.0
327.21710	4.2
367.13358	7.7
370.15747	4.4
374.15042	9.4
386.11102	5.3
397.14130	14.8
416.16336	30.7
430.17767	14.3
431.17993	4.8
434.17206	6.1
521.22931	4.4
551.28802	10.9
563.22729	8.1
567.27936	4.0
581.24030	11.8
599.25238	11.7
623.25037	15.1
625.23029	6.8
641.26111	50.4
642.26447	6.3
644.25543	6.2
667.23407	7.6
685.25232	77.0
686.25482	10.0
717.27765	100.0
718.27740	14.3
761.42841	46.4
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
57.45887	1.2
59.01250	7.5
61.98708	1.5
63.55295	1.2
69.99334	2.6
69.99743	5.5
71.01254	3.2
75.13959	1.4
78.83337	1.1
87.00714	2.2
89.02313	2.3
95.89151	1.2
96.95888	1.9
97.02844	1.9
98.19848	1.6
101.02331	2.4
110.92328	1.5
111.08039	1.2
111.23579	1.2
111.32479	1.3
113.02312	2.1
127.11164	1.9
163.11101	1.4
171.10184	100.0
172.10515	3.6
173.61015	1.2
197.11768	8.2
209.11678	1.5
211.13358	1.9
227.12862	1.8
235.08188	3.8
238.34048	1.3
253.09378	9.1
291.19681	16.0
309.20682	36.0
310.20935	4.6
320.14099	1.4
326.13583	1.3
367.98953	1.4
407.19467	2.0
752.51917	1.6
759.43146	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	760.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.8
61.98708	28.3
66.95786	3.3
70.14690	12.1
71.01254	17.7
73.02821	3.3
75.00758	2.7
82.95292	100.0
83.02388	32.5
84.00785	90.2
84.01298	4.8
84.01902	4.4
84.02717	4.0
84.94998	43.0
85.00317	5.1
85.02821	4.5
87.00752	6.0
89.01779	3.3
89.02315	18.6
96.81686	2.3
97.02847	2.7
101.02344	18.7
113.02325	6.9
119.03387	5.0
125.02293	4.5
139.06863	2.4
143.03316	3.1
155.70319	2.5
161.04514	2.6
235.08195	9.3
254.34175	2.4
277.18881	4.2
277.21732	38.2
278.22095	4.3
379.85870	2.7
397.13510	53.9
398.13934	5.4
415.14523	24.6
700.33203	7.1
708.60724	3.2
769.70972	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	759.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	39.8
61.98708	3.6
65.47445	2.0
71.01248	19.7
71.13791	5.0
73.02808	8.7
78.46229	2.4
78.92428	2.3
78.98463	6.6
79.95600	14.9
80.96397	82.4
82.42635	2.2
83.01214	3.1
85.02832	7.7
87.00731	5.7
89.02306	3.8
94.97963	17.5
96.95892	22.1
97.06454	3.0
101.02327	8.4
106.97953	4.9
113.02323	7.6
116.92738	15.4
117.92765	8.6
118.92548	7.4
118.96872	4.4
119.03435	3.2
122.97509	17.6
125.02309	6.6
134.97470	3.9
148.99078	8.6
151.11154	2.9
152.98529	11.8
164.98526	16.7
169.12242	23.7
171.10136	6.9
178.92468	2.4
183.13788	5.9
197.11859	3.0
204.97850	7.7
206.99634	4.6
209.11743	2.5
211.13335	8.6
216.26701	2.6
225.00687	24.8
253.78923	2.3
299.04416	100.0
300.04794	3.8
314.55740	2.5
327.21667	3.2
363.07559	3.4
437.03003	2.6
465.17883	3.1
513.05145	2.9
613.35785	6.7
715.30347	7.6
745.44202	2.9
759.28607	95.5
759.41644	26.2
760.29346	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	759.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.1
61.98686	2.9
64.27454	1.3
64.35561	1.2
69.03333	3.2
70.44530	2.9
70.44921	3.8
71.01256	15.5
72.01580	1.3
72.99193	2.2
73.02843	1.5
78.95779	7.5
83.01270	2.6
85.02844	2.5
87.00768	2.0
95.04884	1.9
97.02828	3.0
97.72125	1.1
98.19873	1.8
101.02323	2.1
109.02831	1.7
109.06491	1.9
111.00766	2.2
113.02326	3.5
121.02869	1.5
125.02303	1.6
147.08092	1.6
152.99518	3.0
171.10197	8.5
172.10484	3.0
173.09581	1.6
175.11214	16.4
176.08360	1.8
185.11761	1.7
191.10680	2.8
193.12296	16.6
201.11269	1.6
203.58888	1.4
207.10164	1.6
211.13322	1.9
219.10223	28.1
220.10472	1.7
225.11172	1.4
235.08232	2.3
237.11301	32.3
238.11607	2.0
263.09256	12.3
277.21729	100.0
278.22083	9.5
279.22186	2.2
346.23447	1.4
381.04462	1.4
437.18304	2.1
453.33740	2.1
455.19125	5.7
481.17209	13.8
486.82092	1.4
497.32278	2.0
499.18246	5.4
678.07306	1.6
715.40497	3.1
759.39856	16.9
760.40405	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	759.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	40.7
80.04921	3.6
96.95940	2.3
100.84488	1.8
106.06515	9.6
120.04384	2.9
122.06014	19.4
128.72221	2.0
134.06010	36.9
148.03957	3.4
152.07051	3.8
158.06029	2.5
160.03996	1.9
160.06303	2.3
174.05492	3.2
180.06535	3.4
186.05496	2.1
188.07094	7.2
194.08133	2.7
203.62772	2.2
213.10306	10.7
221.10703	1.8
223.08916	2.3
225.10426	4.1
227.11856	5.6
237.10272	5.0
239.11800	8.4
241.13507	8.6
250.07460	4.7
251.08110	3.5
251.11879	4.7
253.09729	2.2
263.08337	3.1
265.09879	8.1
266.10513	2.2
267.11353	4.2
277.09824	6.5
278.06958	6.5
278.10483	3.1
279.07788	7.2
279.11182	4.3
283.57779	2.1
285.12479	22.2
291.07855	4.6
293.09305	23.8
293.13000	8.2
294.10202	10.2
295.10831	16.2
305.09445	5.8
306.10016	4.3
307.11017	9.9
321.08725	2.2
337.08466	12.8
337.11975	3.4
338.08813	1.8
340.14795	1.8
351.09549	2.6
358.15613	6.5
365.11316	5.1
384.13361	3.1
397.14127	2.2
398.14886	3.8
400.16675	9.0
401.16852	2.3
412.16840	3.6
413.17035	2.3
414.18503	2.8
426.14441	2.8
440.15881	3.2
442.17712	8.0
444.15652	2.6
456.19324	7.7
458.17145	2.2
470.13586	1.9
486.16409	5.3
501.18848	3.7
502.19626	5.4
503.74451	2.1
516.21466	14.0
545.17902	5.7
546.18726	21.6
547.23065	8.3
560.20361	32.5
561.20667	5.5
565.24786	5.3
579.25574	3.1
591.22717	6.6
592.22998	37.4
593.23682	4.3
607.25702	34.3
607.35101	3.6
608.25995	5.8
623.25055	5.3
639.28247	31.2
640.28918	6.0
651.24854	18.4
683.27191	100.0
684.27222	13.0
715.30127	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	759.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	50.6
71.01251	4.9
71.58677	3.0
74.62868	1.9
76.51472	1.8
80.04944	4.6
85.02811	2.5
96.95899	5.1
106.06523	9.6
107.03609	3.6
120.04460	2.4
122.06031	23.0
125.02361	2.5
130.06505	2.3
132.04512	2.4
134.06032	41.2
136.07562	2.3
148.03931	2.2
152.07091	5.6
160.03932	2.2
174.05513	4.1
180.06578	5.2
183.13985	1.9
188.07095	5.1
193.05092	1.8
194.08060	2.3
208.09901	2.3
211.08614	2.6
213.10262	9.5
223.08647	2.4
225.10246	5.5
227.11868	4.7
237.10274	3.2
239.11888	12.3
241.13414	5.7
251.08221	4.9
251.11775	4.8
252.08968	3.3
253.09827	5.3
263.08276	2.9
265.09830	8.4
267.11374	3.4
277.09900	8.2
278.06979	5.9
278.10376	3.8
279.07758	8.1
279.11362	5.8
284.03140	2.9
285.12479	22.9
291.07867	4.5
291.11307	2.6
293.09332	20.4
293.12949	9.7
294.09903	4.8
295.10928	13.9
305.09302	6.1
306.09985	4.4
307.10788	11.6
309.12350	2.5
334.23087	2.1
337.08386	10.5
337.11929	3.2
339.09625	3.5
345.00122	2.0
356.13898	3.4
358.15613	4.9
365.11154	4.7
384.13663	3.7
385.13522	2.2
397.14322	2.8
398.14786	2.7
400.16592	11.3
412.16757	6.2
413.17505	3.6
414.18243	3.8
440.16275	3.4
441.16711	4.7
442.17706	6.5
456.19357	6.0
460.18799	2.5
480.38028	2.2
486.16571	3.8
500.18155	2.7
501.18805	3.9
502.19922	4.2
516.21362	9.2
545.17834	3.3
546.19043	19.2
547.24536	9.4
560.20508	31.0
561.20441	4.7
565.24561	7.0
578.21503	5.5
592.23218	18.9
607.25586	31.2
608.25671	5.0
623.25165	5.3
639.28217	30.7
640.28296	6.2
651.24731	13.1
652.25250	2.9
683.27240	100.0
684.27399	26.8
715.29706	14.9
715.41046	3.2
716.30066	3.3
759.41034	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	34.1
61.98685	7.0
70.33956	1.8
71.01249	4.7
71.57473	3.1
78.95777	12.4
87.00743	4.0
89.02318	2.5
94.29865	1.9
95.89098	1.7
99.00764	5.0
101.02319	5.5
108.19275	1.8
113.02322	2.8
125.09612	5.5
127.11171	3.6
152.99458	5.4
161.04494	2.4
163.11186	3.9
171.10149	8.4
181.12221	6.6
190.26285	2.0
197.11678	3.4
199.13358	7.8
201.11266	46.5
207.10181	8.4
211.13367	4.2
220.34547	1.8
225.11270	17.5
226.11700	2.3
235.08186	7.5
243.12375	5.1
253.09218	11.2
255.60672	2.2
258.61252	2.0
277.21732	100.0
278.22107	12.4
278.24854	2.2
304.22150	1.9
311.16974	2.6
311.22202	6.0
413.20874	2.2
443.19626	2.3
445.20169	2.3
461.20349	2.7
720.82959	2.3
721.42090	5.1
739.42633	11.3
740.43225	4.1
757.43756	95.3
758.44049	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	757.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	42.2
61.98717	10.1
71.01244	6.4
72.23646	1.7
78.34245	1.6
78.95776	11.9
83.63198	1.7
87.00770	2.0
89.02306	2.3
97.02795	3.0
98.20596	3.5
99.00744	7.5
101.02299	5.0
103.90519	2.0
113.02338	2.4
125.09610	7.9
125.75296	1.7
127.11170	5.5
139.11201	1.7
152.99475	6.5
155.10547	1.9
159.59865	1.8
160.94981	1.8
163.11116	3.7
165.09073	3.6
171.10213	11.8
181.12300	8.8
187.43466	1.8
197.49049	2.2
199.13361	11.5
200.13864	1.9
201.11267	91.7
202.11626	6.5
207.10205	11.1
209.11932	2.5
225.11295	29.2
230.53244	2.9
235.08188	3.6
243.12248	11.0
243.49319	1.9
253.09193	10.0
277.21704	56.2
278.21997	4.5
293.21481	2.4
311.22150	2.2
461.20355	8.8
496.89709	2.4
589.98352	2.5
721.42194	5.9
739.42712	10.4
757.43817	100.0
758.44037	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38469	1.1
59.01252	11.8
61.98696	5.6
70.18800	5.3
71.01256	91.9
71.97300	1.2
72.01598	1.5
78.95776	6.9
85.02798	1.8
89.02356	1.9
99.00745	1.4
101.02331	4.4
109.06493	2.7
113.02334	2.0
127.11176	1.7
132.96588	1.4
141.99043	1.7
152.99500	3.3
163.11147	1.6
168.93073	1.3
171.10182	49.2
172.10551	2.7
181.12265	1.7
199.09752	6.8
201.11267	10.2
205.57556	1.5
207.10303	7.5
225.11182	7.0
226.16953	1.3
235.08157	5.0
253.09286	11.4
277.21716	100.0
278.22131	8.5
311.22299	1.8
374.53125	1.5
721.40790	1.8
757.43652	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00187	1.4
59.01255	10.6
61.98701	2.6
64.06486	1.0
67.91779	0.9
71.01254	100.0
78.95777	6.5
89.02300	1.9
97.02805	1.2
98.19822	3.5
99.00760	1.5
101.02333	3.5
109.06490	3.2
113.02371	1.6
118.51820	1.1
124.12177	1.1
125.09627	1.6
129.00558	1.1
132.36174	1.1
134.33467	1.1
152.99510	4.3
153.09178	1.1
154.11626	1.3
163.11195	1.5
171.10185	70.0
172.10469	2.6
181.12219	1.3
199.09698	7.4
199.13301	2.4
201.11247	11.6
207.10191	9.3
225.11279	8.1
227.31859	1.2
229.34915	1.1
235.08212	5.3
243.12404	1.9
253.09276	11.4
277.21725	85.9
278.22028	8.6
309.83789	1.2
311.22717	1.5
357.16867	1.1
435.18726	1.3
447.21555	2.5
461.20361	2.0
463.21213	1.6
721.41675	1.6
757.43597	10.8
758.44293	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39706	1.8
59.01247	16.8
61.98693	4.7
70.89783	6.2
71.01256	89.8
73.02817	4.1
78.95773	8.0
83.01278	1.7
85.02873	2.1
89.02332	3.3
89.04634	2.0
97.02838	3.1
99.00730	2.6
101.02325	5.0
109.06479	6.7
113.02447	2.4
121.55763	1.6
125.09615	3.4
127.11230	3.1
135.08054	1.9
137.09610	2.0
152.99495	5.2
161.04430	4.1
163.11168	6.8
171.10185	100.0
172.10533	5.3
181.12212	2.2
199.09703	18.3
199.13330	2.1
201.11247	22.0
207.10188	26.0
211.13368	2.9
225.11270	19.0
243.12274	2.6
253.09225	13.3
277.21725	73.8
278.22104	6.6
317.57150	1.9
435.18564	3.7
461.20322	6.4
544.08990	2.1
616.31970	2.3
721.41534	5.8
722.42670	3.0
739.42731	3.3
757.43671	17.4
758.43140	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	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52292	1.6
59.01256	15.7
61.98693	4.7
63.54187	1.8
68.99675	1.6
70.46263	1.7
70.81242	2.5
70.81573	4.0
71.01255	90.3
73.02801	2.1
73.77158	2.0
75.71000	1.7
78.95773	4.3
79.62327	1.6
89.02286	1.8
97.02830	2.0
99.00803	2.0
101.02316	5.3
109.06470	7.8
113.02380	2.1
125.09621	6.1
127.11186	4.0
163.11192	4.4
170.19321	1.7
171.10185	100.0
172.10493	2.8
181.08707	1.9
199.09734	20.4
199.13417	4.4
201.11263	24.0
202.11467	2.3
207.10222	23.8
207.39711	1.6
208.10641	2.7
225.11284	20.5
235.08333	2.4
243.12247	2.7
253.09262	14.9
277.21722	78.3
278.22028	6.9
388.01230	2.1
435.18494	4.2
461.20248	3.9
603.32715	1.8
721.41101	4.1
739.42975	3.6
757.43646	17.1
758.44104	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82843	25.3
59.01236	32.4
65.32145	25.4
70.26245	29.4
70.26580	100.0
78.95780	92.9
92.24613	25.4
141.67661	23.8
146.67851	27.3
152.99425	50.3
162.88071	25.4
166.81961	29.4
173.41594	30.7
179.04007	28.0
180.42810	27.7
216.37448	27.7
217.95203	28.6
225.11377	61.3
277.21597	87.3
308.66748	33.1
424.23657	31.7
497.28027	28.4
757.40540	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98310	11.8
59.01247	12.9
59.31888	12.9
69.35413	23.9
69.35815	100.0
75.00740	14.6
78.67109	13.6
78.95775	47.9
80.96422	13.9
88.98682	16.4
89.02325	18.4
136.75560	12.1
152.99509	12.3
207.10213	16.3
225.11243	18.9
272.26996	11.8
277.21698	75.4
278.21906	15.5
295.22690	14.1
673.23346	13.1
757.40283	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	757.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03322	0.7
59.01254	16.0
61.98704	1.4
63.57014	0.6
65.89504	0.5
71.01236	3.9
73.02826	0.8
78.95786	2.6
80.91541	0.6
81.03333	1.0
83.01266	1.1
83.04908	0.8
85.02838	1.9
89.02322	1.8
94.29111	0.6
97.02850	0.9
97.06465	1.1
101.02319	2.6
113.02338	2.7
125.09624	2.4
127.11183	1.8
137.09607	0.8
152.99466	1.7
161.04462	1.6
163.11208	2.3
171.10187	100.0
172.10561	4.2
179.05504	0.9
185.11755	2.4
191.14351	3.0
194.79536	0.6
207.10228	1.6
209.11842	6.0
211.13353	2.7
212.85663	0.7
225.11301	1.4
227.12779	0.8
235.08247	3.5
237.11263	1.1
245.19073	4.9
253.09282	8.7
263.20178	1.8
271.16983	1.1
289.18127	26.5
290.18460	2.4
293.21231	1.5
307.19138	23.2
308.19507	2.5
311.22318	0.7
327.21848	1.9
395.78091	0.6
407.19159	1.0
423.71417	0.7
525.27252	0.9
543.28357	0.9
703.98517	0.7
757.42584	3.2
771.05164	0.7
782.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03324	1.5
58.00458	1.5
59.01253	87.4
69.03322	2.3
70.02850	1.3
70.35564	4.1
71.01254	50.3
72.99193	4.6
73.02824	52.7
75.00761	3.3
76.66294	0.9
83.01262	16.8
85.02811	11.4
85.03198	1.0
87.00759	4.2
89.02323	10.1
95.01289	3.8
96.95905	3.5
97.02850	2.0
98.20511	1.1
99.00773	3.0
101.02322	53.3
108.02084	2.3
109.02817	1.4
113.02332	22.7
113.03439	5.1
114.01839	4.7
117.03355	3.1
119.03402	5.3
121.02864	6.1
121.30893	1.0
122.03625	2.5
123.00777	1.0
123.04373	1.9
125.02361	2.7
131.03409	5.0
131.04523	16.0
133.02867	2.9
134.03629	3.6
135.04402	2.2
136.00517	1.8
136.01563	32.1
137.02341	2.4
139.13507	0.9
141.01791	1.3
143.03339	5.2
145.02849	12.9
146.03635	3.9
147.04457	1.9
149.02377	4.1
149.04483	4.2
149.06015	1.5
150.03148	9.8
151.00307	1.5
151.03917	30.6
152.04251	1.2
155.03374	1.4
160.01483	1.0
161.02382	10.2
161.04482	9.5
161.05884	1.9
162.03139	100.0
163.03676	3.6
164.04778	2.5
165.04092	1.6
165.05481	11.7
174.01616	1.4
175.02539	1.1
175.03915	2.4
177.05495	83.6
178.05878	2.3
179.07054	1.9
180.04269	2.6
191.07153	1.1
195.06560	12.2
203.05562	1.3
205.76999	1.0
219.06647	3.5
221.06503	1.9
235.07391	1.2
241.05034	1.2
255.03082	1.5
256.07330	1.2
265.11984	1.1
267.07217	1.0
271.09824	2.5
284.03143	1.1
327.12317	2.1
339.10883	4.3
342.11078	1.5
353.10324	1.1
357.13516	14.4
465.68491	1.0
505.18491	2.7
517.18726	10.5
518.18726	1.9
553.20978	1.7
757.31866	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	757.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
59.01247	3.2
69.38807	1.1
69.39240	1.2
71.01263	1.0
73.02824	0.5
73.64742	0.2
75.00751	0.5
85.02834	0.7
85.66325	0.2
87.00792	0.4
89.02328	0.4
93.03334	3.1
95.01293	0.4
96.95894	0.6
99.00772	0.3
101.02346	0.6
108.02052	0.7
109.02841	0.7
112.51646	0.2
113.02367	0.5
119.03414	0.3
121.02845	6.4
122.03638	12.8
123.00738	0.5
123.04403	0.8
124.01569	0.3
125.02310	0.3
133.02853	1.3
134.03609	0.9
135.02936	0.2
135.04448	1.6
136.01563	21.8
137.02415	1.9
145.02856	0.4
146.03644	0.4
147.04424	0.7
149.02354	17.2
149.05952	0.6
150.03136	84.0
151.03929	24.3
151.05228	0.5
152.04277	0.9
159.04361	0.4
160.05223	1.0
161.02347	0.4
161.04477	0.3
161.05968	1.0
162.03212	1.2
163.03923	0.9
164.04716	3.7
165.05489	100.0
166.05833	3.9
172.05211	0.6
175.03934	3.0
175.07542	0.5
176.04665	0.5
177.05522	0.6
179.03380	0.3
180.04202	6.3
187.03906	0.4
189.05510	1.1
190.06313	3.4
191.07079	0.6
195.06566	84.8
196.06903	3.2
203.07037	0.3
205.04869	0.2
205.08704	0.3
236.04797	0.5
252.04362	0.4
255.02885	0.4
267.06879	0.8
279.06445	0.4
281.08176	0.3
284.03351	0.4
284.06744	0.5
299.09238	1.1
312.09915	0.5
327.12384	5.2
328.12625	0.5
339.12323	0.5
342.11139	1.3
343.11731	0.8
357.13431	23.0
358.13708	2.3
404.43204	0.3
431.15521	0.3
456.14139	0.3
472.14090	0.3
475.17682	1.5
487.17639	1.0
505.18683	15.1
506.19061	2.2
509.27109	0.3
517.18640	0.7
523.19525	0.6
535.19922	0.4
549.18604	0.3
553.20795	12.1
554.21167	1.5
757.31830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40022	1.0
59.01249	11.5
61.98695	3.6
68.87366	1.2
70.11548	5.5
71.01257	2.0
77.20039	1.0
78.95774	5.5
89.02360	1.5
99.46997	1.5
100.14643	1.1
101.02372	1.1
103.63409	1.3
113.02304	1.8
114.07743	1.2
123.44749	1.1
124.27888	1.1
151.11159	1.7
152.99496	3.0
169.12256	56.8
170.12561	1.6
171.10179	14.2
209.11742	2.0
211.13405	1.1
235.08224	2.9
247.86110	1.2
253.09212	5.4
277.21722	100.0
278.22061	10.0
309.20615	2.5
405.20981	2.1
513.30603	2.2
709.41406	10.2
710.41772	2.1
727.42908	10.1
728.43353	1.5
755.42200	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	755.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.6
70.52962	0.9
71.01249	3.5
78.95776	4.7
87.00748	13.2
88.00269	1.7
89.02318	2.6
90.29925	1.0
92.57822	1.0
98.19763	2.6
101.02324	2.8
107.30496	1.0
110.98415	1.3
113.02330	1.6
127.11248	1.2
131.04692	0.9
161.04448	1.3
171.10187	1.0
181.12227	4.1
197.11719	1.6
199.13335	100.0
200.13673	4.4
201.11250	1.2
209.11664	1.6
235.08130	5.4
253.09254	14.6
255.23206	1.0
271.02554	1.0
277.21719	96.2
278.22086	7.5
293.21179	3.4
294.29068	1.0
295.22644	1.9
311.22372	1.4
435.22998	1.1
459.34641	4.7
755.45282	4.5
756.44421	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	755.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.5
61.98683	2.1
70.18119	6.3
71.01243	2.8
71.07861	1.2
78.95772	8.4
87.00757	16.4
88.00294	2.7
89.02365	1.4
101.02338	2.6
110.98357	1.2
112.76120	1.2
113.02317	1.8
152.99533	2.2
155.19600	1.5
161.04430	1.5
166.59590	1.1
171.10136	1.8
197.11845	2.0
199.13330	81.5
200.13715	3.5
201.11221	2.3
202.56866	1.2
235.08238	6.9
246.73268	1.5
253.09250	9.9
255.23207	5.7
277.21725	100.0
278.22070	9.0
293.21213	5.0
295.22546	2.3
309.20999	2.3
311.22223	1.7
457.29068	1.5
459.34595	1.4
755.43018	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03329	1.5
59.01251	8.7
65.70755	0.6
69.03351	0.8
70.62885	2.5
71.01256	7.2
73.02811	2.0
78.95779	1.2
83.04898	1.1
85.02835	1.0
87.00753	1.6
89.02349	3.9
95.01247	0.8
95.04925	0.7
97.02841	2.6
97.06442	1.0
101.02327	5.8
111.08057	4.3
113.02336	2.6
119.03397	1.0
137.09558	0.9
145.04968	0.7
153.12820	0.9
161.04451	2.6
163.11221	1.6
165.12761	12.9
166.13129	0.9
169.12257	2.0
171.10197	2.6
179.05573	0.8
181.12277	0.9
181.15068	0.7
183.13829	100.0
184.14137	4.3
197.11778	18.2
198.12132	0.8
199.13335	0.9
204.86330	0.7
209.11760	4.2
211.13390	3.6
223.13281	0.8
227.12837	7.9
235.08176	4.3
247.20615	1.1
253.09259	8.1
273.18900	0.9
291.19684	11.1
292.19910	1.2
309.20712	23.9
310.20993	1.4
327.21710	1.6
445.20682	2.6
463.21805	5.8
722.63025	0.9
755.42255	81.4
756.42383	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	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.7
61.98700	3.2
65.61438	1.1
67.99435	1.2
69.42334	1.2
69.42646	11.1
71.01245	3.2
78.95779	8.1
82.09322	1.2
87.00696	1.3
101.02336	1.8
113.02351	1.3
120.93862	1.4
151.11168	3.0
152.99474	4.9
161.04469	1.6
169.12253	100.0
170.12602	3.7
171.10188	27.6
197.11699	1.4
209.11679	1.9
213.11229	1.9
235.08292	7.2
241.63055	1.1
253.09244	6.5
277.21747	68.6
278.22089	6.1
309.20569	1.9
405.21274	5.8
427.30972	1.4
431.19247	1.9
449.20074	2.0
513.30762	1.5
610.66681	1.5
709.41638	13.1
727.42242	10.7
728.43323	2.3
755.42554	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03331	2.4
59.01253	9.1
61.98702	1.9
65.96955	1.1
71.01260	7.1
71.04878	2.8
71.12563	2.4
75.46870	1.1
83.04903	1.5
85.02816	2.4
87.00732	1.4
87.61810	1.1
89.02309	3.5
94.75375	1.1
95.04926	1.4
97.02816	3.8
97.06472	3.7
99.00764	16.4
101.02346	5.2
113.02328	2.6
123.08000	2.7
125.09604	8.4
142.02483	1.2
153.12711	1.4
161.04529	1.6
163.11188	11.8
171.10138	3.3
179.05684	1.1
181.12271	18.8
183.13763	5.4
185.11766	1.2
195.13809	5.7
197.11772	4.4
199.13396	6.8
201.11246	2.6
207.10205	21.3
208.10593	1.7
209.11774	20.5
211.13319	4.5
223.13330	2.3
225.11285	23.9
226.11613	1.6
227.12914	8.1
235.08189	3.3
236.18269	1.1
243.12383	11.0
253.09270	8.8
275.20148	1.4
286.61942	1.2
291.19693	11.5
293.21225	15.9
294.21585	2.2
309.20779	8.1
310.20639	1.1
327.21707	5.5
366.74252	1.1
461.20102	3.4
479.21371	3.6
636.14069	1.1
640.31769	1.2
755.42206	100.0
756.42462	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	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89491	1.8
57.03305	5.4
59.01255	22.0
61.98698	3.2
69.99335	4.5
69.99729	4.6
71.01263	16.6
71.04895	3.0
80.02559	1.7
83.04893	3.5
85.02812	6.3
89.02316	8.8
95.04908	2.1
96.95878	6.2
97.02814	4.7
97.06459	4.4
99.00758	12.6
100.17989	1.9
101.02346	11.0
109.06449	1.8
111.08054	4.7
113.02329	5.9
119.03378	2.3
121.10152	3.6
123.08067	2.4
125.09607	11.8
138.28593	1.8
153.12701	2.1
161.04443	4.9
163.11174	11.5
165.12788	10.7
171.10210	13.9
181.12241	17.9
183.13840	95.9
184.14171	3.7
185.11732	6.7
195.13794	5.4
197.11757	11.9
199.13351	11.6
201.11197	8.1
207.10187	19.8
209.11794	47.8
210.12000	3.3
211.13358	52.2
212.13618	3.3
223.13301	3.0
225.11282	38.9
227.12849	23.4
235.08188	6.7
243.12357	19.0
251.16496	4.0
253.09258	22.3
275.20135	3.4
291.19669	48.1
292.19995	2.7
293.21222	19.0
309.20709	19.2
310.21017	2.0
325.20093	4.0
374.58380	2.1
445.20953	2.2
461.20172	3.4
463.21643	6.6
479.21417	9.9
617.31964	2.3
657.34851	19.3
658.35449	2.7
674.15570	2.3
687.91687	2.3
737.41254	30.7
738.41718	4.5
755.42194	100.0
756.42450	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	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03328	4.8
57.05825	1.5
59.01252	79.8
69.03330	2.0
69.49178	6.8
69.49605	6.0
71.01254	42.8
72.99171	3.1
73.02828	10.0
77.66789	1.8
83.01250	6.9
85.02823	20.3
85.99986	2.3
87.00761	5.7
89.02303	9.9
95.01280	6.0
97.02848	2.9
99.00768	6.4
101.02332	21.6
109.10639	1.6
111.00739	2.6
113.02335	22.3
119.03377	2.9
125.02367	2.9
133.14023	1.5
143.03433	1.9
161.04465	3.1
197.58812	1.7
299.25620	1.9
300.02936	1.7
345.30038	5.2
395.05576	1.7
489.34213	6.9
507.35461	11.0
615.37811	4.3
651.39569	100.0
652.39886	18.4
669.40710	62.4
670.41028	10.6
695.56030	1.8
711.41370	21.3
712.42340	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	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.9
57.03313	5.0
58.00472	1.7
59.01252	78.8
69.03314	2.4
71.01257	48.8
72.99174	2.2
73.02822	14.5
75.00739	1.6
81.03313	1.6
83.01260	8.4
85.02827	23.3
85.99963	1.7
87.00732	4.2
89.02319	12.8
95.01247	5.3
97.02842	2.3
99.00762	4.5
101.02327	29.1
111.00773	5.5
112.01577	1.3
113.02340	22.1
115.33345	1.1
119.03384	2.5
124.01559	1.7
125.02351	6.7
129.01833	1.5
134.20337	1.0
143.03375	4.7
146.37454	1.1
155.59410	1.1
159.02905	2.3
161.04448	4.1
211.16972	1.2
213.18559	3.2
299.25818	2.7
309.45865	1.5
345.30066	5.7
406.11426	1.3
489.34204	7.5
507.35474	16.3
508.35593	2.6
540.90765	1.2
607.35223	1.2
615.37061	1.7
651.39575	100.0
652.39917	13.7
669.40686	66.1
670.40979	11.9
711.41779	15.7
712.41656	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	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56390	0.7
92.05669	0.7
119.78169	0.8
131.04520	1.1
151.00269	2.6
155.04999	1.0
159.04387	1.3
169.01318	1.3
178.99759	1.8
183.04489	2.7
192.13823	0.8
211.03938	2.6
227.03445	14.2
228.03883	1.1
239.03571	1.1
243.02927	0.9
255.02974	56.5
256.03424	5.4
257.04547	1.1
271.02463	2.0
272.03110	0.9
283.02481	87.3
284.03210	47.4
285.04028	30.8
286.04257	1.9
297.03915	0.9
300.02710	6.0
301.03546	1.3
326.04233	2.2
327.05154	1.4
446.08484	15.9
447.08975	3.1
593.15125	100.0
594.15411	13.7
634.32428	0.9
635.15723	1.6
755.20532	15.6
755.33710	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
57.03316	5.9
58.00467	3.2
59.01254	97.6
69.03316	3.0
71.01254	69.3
71.57571	2.0
72.99194	5.1
73.02830	15.9
75.00745	3.7
79.95647	1.9
83.01257	9.2
85.02818	35.4
85.99971	2.1
87.00761	6.4
89.02316	22.7
91.71673	1.4
95.01246	9.1
96.95889	4.9
97.02850	3.5
99.00767	8.8
101.02317	34.2
104.03368	1.5
111.00805	2.8
112.01550	1.8
113.02338	32.7
116.88126	1.6
119.03383	8.3
124.01595	2.3
125.02325	5.1
133.06477	8.2
134.03619	1.8
143.03397	6.1
146.03609	2.0
148.05215	2.7
159.02847	2.6
161.04460	5.1
163.07559	2.1
165.03900	2.1
179.05605	2.1
179.07047	4.0
187.82718	1.5
193.04926	2.1
201.75050	1.6
213.18594	1.6
267.07150	1.9
284.03052	1.8
345.29956	3.3
489.34259	13.4
507.35391	14.2
549.36243	2.4
551.19049	3.0
615.37073	2.0
651.39545	100.0
652.39874	19.2
669.29431	3.3
669.40656	60.1
670.40948	12.0
694.35071	2.3
711.41840	27.1
712.42126	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	755.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79068	0.5
59.68147	0.5
65.00201	0.8
70.56390	0.5
70.90666	1.5
80.77824	0.5
83.01259	0.6
88.37543	0.6
93.03365	0.7
114.63998	0.5
117.03353	0.6
151.00252	2.8
178.99788	0.7
183.04443	1.8
187.03893	0.6
211.03978	1.7
213.05511	0.6
227.03447	10.9
227.05672	0.5
228.03986	0.7
229.05092	1.4
255.02982	40.7
256.03418	4.0
257.04514	1.6
271.02454	1.2
283.02484	43.9
284.03244	43.0
285.04010	31.0
286.04370	2.1
300.02728	1.5
316.28165	0.6
325.83926	0.5
327.05038	1.3
446.08521	4.0
593.15118	100.0
594.15417	12.3
635.16302	1.0
755.20178	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	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51477	0.8
57.14436	0.8
59.01265	1.4
63.02268	1.3
65.00182	3.8
71.01266	1.5
71.57666	1.7
72.45766	0.7
72.63004	0.8
75.96681	0.7
77.06693	1.0
78.62843	0.8
79.47123	0.8
85.02802	0.9
93.03324	1.1
95.01255	2.1
98.99287	0.7
107.01263	3.4
108.02042	1.2
109.99992	5.9
111.00778	3.9
115.06142	0.8
117.03313	1.2
121.02883	1.0
123.00772	1.5
124.01559	1.9
125.02365	1.5
126.45411	0.9
132.02066	1.3
135.00768	1.7
136.98685	2.5
137.99496	2.7
139.00291	6.8
143.04842	1.3
145.02834	2.2
148.01617	1.0
151.00275	8.5
152.01027	3.8
152.51570	0.9
154.57434	0.8
155.04945	1.8
163.00221	2.1
164.98180	1.0
165.98999	9.9
166.99722	3.4
169.01320	1.4
171.04385	3.2
172.14034	0.8
175.03877	1.2
178.99786	7.7
182.03642	1.5
183.04451	4.4
187.03947	2.9
193.98557	2.1
198.03142	3.5
199.03917	4.8
200.04739	1.6
201.05408	1.6
209.00845	1.6
211.03952	3.9
215.03539	4.1
216.04155	1.8
226.02643	3.7
227.03450	15.3
228.03987	1.3
229.04898	2.0
238.02679	1.1
239.03503	1.4
243.02953	20.5
244.03551	3.4
245.04437	1.2
254.02267	4.4
255.02972	55.1
256.03442	3.9
257.04538	2.7
271.02478	72.1
272.03195	20.7
273.03729	2.0
282.01672	2.1
283.02460	22.3
284.03198	5.0
285.03998	6.9
299.01944	7.8
300.02731	100.0
301.03421	26.9
302.03867	2.0
328.38980	0.9
335.45569	0.9
368.31256	0.9
468.93073	0.9
635.18243	1.0
737.18365	1.2
755.20367	92.4
756.20776	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	754.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92097	0.2
59.01252	1.4
61.98706	100.0
71.01260	1.0
71.58472	0.5
73.02856	0.2
74.79072	0.2
80.96367	0.5
85.02824	0.3
89.02351	0.3
96.95916	1.0
99.00744	0.3
101.02336	0.4
112.69869	0.2
113.02300	0.3
116.92766	0.5
117.03383	0.5
119.04926	1.0
145.02870	2.4
163.03979	0.7
171.10226	0.5
209.11853	0.9
253.09373	0.3
309.20761	0.3
449.27686	0.3
507.29807	0.5
711.36584	1.0
754.36060	0.3
787.62854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
56.27865	0.9
63.02263	1.2
64.32685	0.8
65.00188	1.6
70.44759	3.2
80.39205	0.7
83.01292	0.8
91.01770	1.1
107.01281	3.7
108.02042	2.7
121.02869	0.9
135.00749	1.6
148.01544	3.1
151.00281	9.0
156.91847	0.8
158.33919	0.8
163.00296	1.3
164.01047	1.2
165.72910	0.8
169.01344	1.1
178.99767	2.7
187.03972	1.2
192.00496	0.9
199.03784	1.0
211.03940	1.9
215.03424	1.2
216.04161	1.3
226.02654	3.0
227.03448	20.5
228.03856	1.2
229.04961	1.8
243.02948	16.6
244.03329	2.0
250.07837	0.8
254.02167	3.1
255.02972	62.6
256.03400	5.9
257.04633	1.2
271.02478	78.9
272.02927	8.5
283.02347	1.3
284.03265	23.6
285.03906	8.8
299.01974	2.5
300.02740	100.0
301.03256	13.1
466.25418	0.8
473.55023	1.0
650.82086	0.9
716.54980	0.9
755.20380	30.7
756.20563	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01248	12.8
61.98693	2.1
65.03847	1.3
71.01250	8.1
71.04904	1.5
71.75847	1.1
73.02822	2.0
80.59764	1.1
83.01238	1.4
83.04896	4.0
85.02817	3.5
85.06441	1.1
87.00755	3.2
88.88605	1.0
89.02303	4.0
95.04893	1.6
97.06463	4.1
98.20548	4.4
99.00736	1.4
101.02299	5.9
109.06465	1.9
111.08028	3.2
113.02348	5.6
119.03345	1.4
121.06506	1.2
125.09637	2.6
128.79210	1.1
135.08156	1.1
161.04503	2.6
163.11145	3.3
165.12762	11.2
171.10065	1.5
183.13831	100.0
184.14198	6.7
185.11804	2.7
197.11713	2.4
205.15887	2.7
207.10124	3.6
209.11775	19.2
210.12064	1.3
211.13376	5.5
225.11325	8.0
227.12854	9.9
228.13029	1.5
230.33365	1.5
231.13817	2.1
233.15421	9.7
235.08160	5.1
235.13374	1.9
241.14589	1.3
245.18994	1.8
249.14975	11.5
251.16568	1.2
253.09277	8.5
263.20135	1.7
271.17001	2.0
279.19662	1.7
289.18109	20.3
290.18372	2.9
291.19876	2.4
293.21344	4.2
307.19156	17.9
308.19391	2.2
309.20697	4.5
331.18814	1.4
445.20578	3.0
461.20337	1.7
463.21814	8.5
465.77542	1.2
525.27197	2.2
543.27911	1.7
691.40338	2.1
695.36017	2.8
735.39526	6.7
753.40656	77.4
754.41034	16.9
779.10895	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19276	0.6
55.06306	0.6
57.03320	1.9
59.01254	9.2
61.02309	0.6
61.98702	0.8
67.01765	0.7
69.03328	1.9
71.01254	9.2
71.57296	1.2
73.02827	2.0
78.95769	0.8
79.91917	0.6
81.03334	2.2
83.01278	2.4
83.04893	1.9
85.02824	2.2
87.00742	1.4
89.02335	5.2
95.04858	0.6
97.02836	1.0
97.06458	3.8
99.00781	0.8
101.02343	7.2
107.04951	0.7
109.06496	1.7
111.08044	1.7
113.02332	3.3
119.03398	1.7
121.06489	0.7
123.04417	1.4
123.08044	1.8
125.02316	0.9
125.09618	4.2
135.08064	1.2
137.09668	2.9
141.12787	0.6
145.04964	1.0
161.04483	1.8
163.11180	4.5
165.12770	13.0
167.10640	1.0
171.10168	1.6
179.05502	0.8
179.10719	0.8
181.12251	1.5
183.13831	100.0
184.14192	4.8
185.11754	5.1
187.09560	0.7
190.51411	0.6
191.10741	0.9
191.14365	3.0
195.13838	0.7
197.11708	1.4
199.13333	0.6
207.10191	4.2
209.11778	22.6
210.12085	1.3
211.13353	2.4
221.11896	0.8
223.13403	2.1
225.11320	3.2
227.12827	12.1
235.08147	5.0
241.14389	6.4
245.19032	6.7
251.12914	2.0
253.09320	9.3
271.16959	1.0
275.20117	1.0
289.18088	19.9
290.18369	1.4
291.19614	1.7
293.21234	5.4
303.23291	0.7
307.19165	17.4
308.19370	1.7
309.20685	1.6
311.21353	0.6
325.20255	1.1
406.54468	0.7
445.20880	8.2
446.20917	0.8
463.21771	6.9
464.22107	0.8
473.32477	1.0
491.32907	1.0
637.32129	2.4
655.33185	4.7
656.33594	1.5
709.41754	0.8
735.39941	1.7
753.40662	53.8
754.41028	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	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.8
57.03338	4.2
59.01254	90.0
61.32792	2.1
69.03319	2.7
71.01258	59.4
71.35044	5.3
72.99184	5.0
73.02823	11.7
81.94896	2.2
83.01286	10.8
85.02823	24.5
87.00748	4.6
89.02320	20.6
95.01273	6.8
97.02848	2.1
99.00780	5.3
101.02328	38.5
111.00799	3.5
111.78794	2.3
113.02328	24.0
119.03384	9.4
124.01578	2.1
125.02364	7.9
134.70445	2.1
135.82159	2.1
143.03395	5.3
160.15907	2.1
161.04500	5.8
179.05505	3.1
204.86353	2.2
213.18561	3.8
214.80922	2.1
246.15909	1.9
349.71371	2.3
396.15634	2.4
487.32672	11.0
505.33826	14.0
649.38031	100.0
650.38501	13.8
667.39185	87.7
668.39307	13.5
709.40350	17.9
710.40527	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.1
55.85374	1.3
57.03322	5.5
58.00474	2.8
59.01255	78.0
59.79705	1.2
61.06776	1.4
64.76340	1.1
65.22047	1.1
68.65328	1.3
68.94638	1.1
69.03347	2.8
69.41930	11.1
70.11071	1.0
71.01252	55.4
72.99181	4.0
73.02824	9.5
75.00732	1.9
81.92174	1.4
83.01260	6.2
85.02824	25.8
85.99982	1.8
87.00745	2.9
89.02318	22.0
95.01264	5.4
96.95907	2.5
97.02840	2.6
99.00760	5.1
101.02329	26.6
111.00788	1.9
113.02331	25.7
119.03393	8.7
124.01595	2.7
125.02369	5.3
131.03365	1.3
143.03453	2.8
161.04549	5.6
165.01900	1.6
179.05513	3.1
201.11304	2.3
206.03639	1.3
213.18584	1.4
236.32980	1.2
337.08182	1.1
375.24057	1.8
383.42807	1.1
487.32764	13.7
488.32593	1.7
505.34109	8.6
649.38055	100.0
650.38361	12.6
667.39075	42.1
668.39557	6.6
709.40063	12.3
710.40399	1.9
753.31281	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	753.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24469	0.8
55.01754	4.6
56.56762	0.8
57.03334	5.2
57.59256	0.9
58.00456	2.7
59.01254	100.0
61.98706	1.4
69.03343	1.7
69.85236	0.9
71.01257	67.4
72.01599	1.3
72.99185	3.7
73.02820	16.4
75.00745	2.3
81.03295	1.2
83.01261	11.2
85.02826	31.5
85.99964	0.8
87.00752	5.3
89.02323	26.2
90.02670	1.0
93.06960	1.7
95.01265	7.7
96.95901	1.0
97.02837	3.2
99.00758	5.6
101.02329	37.6
101.03000	2.0
111.00760	3.2
111.08048	1.4
112.01553	1.6
113.02339	34.6
119.03411	8.8
124.01582	2.1
125.02308	5.3
129.01820	1.0
143.03398	4.5
152.12323	1.1
159.02933	1.8
161.04451	9.1
179.05571	3.0
212.72662	1.0
213.18599	1.8
253.92836	1.0
343.28601	1.7
375.23969	2.2
408.81015	0.9
469.31448	1.1
487.32675	19.1
488.32935	2.9
505.33920	11.4
506.34015	1.6
613.35944	1.5
649.38037	92.0
650.38177	13.4
651.39252	2.1
651.61041	1.0
667.39111	79.8
668.28998	1.6
668.39160	12.0
709.40265	22.4
710.40198	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	71.5
61.98704	60.5
69.25767	100.0
70.19814	7.4
70.29264	8.5
71.01254	25.6
71.99960	6.9
73.02817	15.8
73.38071	7.9
75.00749	11.6
80.63998	7.8
85.02819	26.1
89.02320	16.8
96.95911	22.6
101.02319	27.0
102.23612	9.0
113.02336	21.9
119.03392	8.2
125.02404	10.3
136.27771	8.9
138.45712	8.0
151.70332	8.8
163.44228	8.3
223.13196	9.4
235.08214	11.2
235.17041	22.0
275.20139	34.1
282.63251	8.0
293.21158	83.1
302.53784	8.8
397.13416	58.8
415.14493	28.5
578.33313	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	751.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33226	0.2
59.01256	1.4
71.01246	1.2
78.95782	2.8
79.95615	3.0
85.02815	0.3
89.02329	0.5
90.97025	0.3
94.97992	0.2
96.95892	100.0
96.96890	3.2
97.95835	0.4
113.02353	0.3
118.96554	0.6
180.52667	0.2
195.13850	1.1
223.13393	0.5
237.01009	0.2
253.09373	0.4
255.23157	1.0
275.00827	0.2
277.21786	0.3
293.21375	0.4
309.20618	0.3
319.03268	0.2
361.04532	0.4
367.32306	0.3
385.18958	1.0
397.13370	1.0
415.14648	0.5
435.08240	1.1
453.09375	2.0
571.28101	0.6
691.32202	2.4
692.32965	0.4
750.50391	0.9
751.41278	0.7
751.51947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95201	0.2
59.01253	1.7
61.72433	0.2
71.01248	1.6
71.78813	0.2
72.99184	3.4
73.02798	0.2
73.99508	0.2
74.25816	0.2
75.00748	100.0
76.01070	1.0
77.95368	0.2
85.02845	0.3
87.00750	0.3
89.02351	1.4
91.28745	0.2
97.02785	0.2
101.02324	1.0
113.02337	0.6
119.03378	0.4
125.02332	0.6
139.40775	0.2
143.03423	0.2
161.04405	0.3
174.01620	0.3
179.05573	0.3
195.13861	0.2
197.11774	0.7
210.93054	0.2
223.13313	0.6
235.08333	0.6
253.09152	0.4
263.19949	0.2
277.21716	3.6
277.24509	0.3
278.22220	0.4
283.47803	0.2
287.07761	0.2
291.19647	0.4
305.08856	0.3
309.20557	0.3
336.38022	0.2
379.50027	0.2
396.42761	0.2
397.13501	6.4
397.18597	0.4
397.26468	0.2
398.13928	0.6
415.14645	2.1
487.44455	0.2
625.67047	0.2
751.38989	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	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37484	0.2
59.01258	1.5
66.57979	0.2
66.61839	0.2
71.01255	1.1
72.98783	0.3
72.99184	4.1
73.98239	0.2
75.00747	100.0
76.01087	0.7
85.02807	0.3
87.00763	0.3
88.83053	0.2
89.02328	0.9
101.02328	1.0
113.02328	0.4
119.03376	0.5
125.02342	0.6
125.36977	0.2
138.21556	0.2
161.04518	0.3
179.05652	0.2
186.55330	0.2
235.08177	0.6
253.09175	0.3
277.21747	3.3
278.22119	0.3
305.09015	0.3
381.23749	0.2
397.13504	4.9
398.13803	0.3
415.14627	1.8
416.15039	0.2
700.15826	0.2
723.12543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73912	2.0
57.03322	4.0
59.01256	100.0
60.79403	2.1
61.98706	2.2
69.03325	3.8
69.50198	18.3
71.01258	46.4
72.99179	5.2
73.02832	7.9
75.00755	6.0
83.01276	7.3
85.02828	25.3
87.00771	6.8
87.04401	2.7
89.02319	13.2
95.01280	7.2
96.95914	5.3
97.02843	5.7
98.20513	4.9
99.00777	7.8
101.02326	25.1
111.00784	3.9
112.03214	2.2
113.02337	31.1
119.03409	6.1
125.02316	10.8
131.28232	2.0
135.66214	2.2
137.02290	1.9
143.03403	7.3
149.02414	2.1
157.07301	2.1
161.04460	9.8
161.41600	2.5
165.01836	2.1
227.03351	2.8
230.76624	2.3
242.23798	2.3
255.03040	5.1
267.07352	4.5
284.03149	3.9
399.23822	7.8
417.24557	5.3
437.06274	2.2
460.44727	2.4
543.28009	30.6
544.28302	3.4
561.29156	70.8
562.29590	9.5
579.30157	18.7
603.30121	12.0
621.31171	19.5
622.32581	2.5
661.53070	2.7
707.26764	2.8
751.26935	3.0
752.33008	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	751.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46555	0.5
55.01751	0.7
57.03332	1.5
58.00456	0.9
59.01254	100.0
61.98705	1.0
67.85527	0.5
70.72506	1.5
71.01260	17.0
72.99203	1.0
73.02826	11.3
73.48517	0.5
75.00764	1.0
83.01257	4.6
85.02821	5.4
87.00774	1.3
89.02314	6.8
95.01303	1.0
96.95915	1.7
97.02872	0.6
99.00756	0.9
101.02322	13.5
113.02335	8.8
119.03370	2.9
125.02375	2.0
131.03419	1.2
143.03462	2.1
149.04523	1.9
161.04465	3.8
179.05627	1.3
195.44534	0.6
203.05589	0.8
204.79048	0.5
253.58595	0.6
289.16687	1.2
319.68600	0.6
331.17816	0.9
346.30420	0.6
487.33139	1.2
526.02289	0.6
631.37140	1.5
647.37128	3.0
649.37976	3.8
665.37872	2.0
667.38867	1.0
709.40820	1.3
751.38635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4482
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01750	0.8
57.03324	1.4
58.00457	1.2
59.01251	21.1
64.07753	0.3
67.01749	0.4
68.85326	0.3
68.99689	2.1
70.63399	0.5
70.63790	0.6
71.01254	25.1
72.01590	0.5
72.99184	2.1
73.02811	1.3
75.00747	14.1
83.01248	2.9
85.02824	9.7
85.03348	0.4
87.00740	1.2
89.02316	11.8
95.01263	3.6
95.14412	0.3
99.00755	12.0
99.96217	0.3
101.02319	4.7
103.89425	0.3
110.61005	0.3
111.00758	0.8
112.01519	0.4
113.01527	0.3
113.02332	5.9
115.00268	0.6
129.01805	0.8
131.03404	2.9
139.00284	0.4
140.31702	0.3
149.04420	0.5
157.01341	1.7
178.68677	0.3
423.32257	0.4
439.35797	3.4
440.36349	0.5
453.07037	0.3
509.39896	0.9
599.39709	0.8
749.44769	100.0
750.45111	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	751.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.2
55.10529	1.1
57.03323	3.0
57.42940	1.0
58.00469	1.4
59.01252	100.0
60.01592	1.6
68.52386	1.1
71.01257	41.1
71.04954	1.2
72.99186	3.1
73.02822	9.1
81.03366	1.0
83.01270	5.5
85.02826	22.1
87.00755	5.9
87.04399	1.7
89.02323	11.8
93.08030	1.1
95.01260	6.4
96.95866	5.6
97.02843	2.1
99.00773	5.0
101.02322	22.6
101.05996	1.2
113.02335	26.8
115.03897	1.1
119.03399	3.4
121.02853	1.5
124.01571	3.8
125.02332	12.2
134.03638	1.1
143.03418	6.3
149.02435	1.1
150.03130	3.6
161.04491	7.2
165.05492	2.7
179.05487	1.7
195.06494	1.6
212.17026	1.3
254.16249	1.1
264.19901	1.3
267.07269	1.2
284.03214	1.7
300.31308	1.2
303.16766	1.0
318.75275	1.3
329.14218	1.3
381.82095	1.4
399.23798	7.6
417.24899	7.0
453.88483	1.1
472.74350	1.2
484.60034	1.3
495.25986	1.5
525.26892	2.1
543.28094	23.3
544.28522	2.6
561.29138	68.0
562.29419	11.3
579.30408	20.8
580.30841	2.6
603.30371	10.0
621.31195	15.8
622.31219	3.2
751.27216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56458	1.7
55.61396	1.7
57.03315	2.7
59.01252	23.5
61.98694	6.5
69.03323	2.0
71.01256	21.7
73.02818	5.9
75.00763	2.9
80.96391	4.7
83.01238	2.0
83.96632	2.0
85.02831	8.2
87.00784	3.3
88.98679	2.2
89.02324	16.9
96.95898	3.5
98.20554	4.4
99.00765	4.3
101.02341	14.7
111.08057	3.6
113.02309	8.6
119.03370	5.1
121.10081	3.3
125.02322	5.0
125.09599	2.3
130.13965	2.2
139.79718	2.2
143.03285	2.4
185.11780	3.7
209.11711	5.7
211.13258	4.4
234.36597	2.1
235.08255	5.1
253.09192	2.2
273.18570	2.3
278.10284	2.1
291.19666	100.0
292.20050	6.6
397.13507	44.4
398.13785	4.0
415.14624	19.2
689.33569	7.6
749.44836	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	749.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33900	2.3
57.03308	2.8
58.00462	3.1
59.01249	28.7
59.10092	3.0
60.19136	2.3
61.98696	4.4
69.03325	2.9
69.26501	5.4
69.26900	25.8
71.01261	24.1
72.99204	3.8
73.02826	4.2
75.00767	3.8
78.95757	2.7
80.96395	2.9
83.01278	2.8
85.02828	7.0
87.00767	4.8
89.02334	18.2
96.95899	5.5
97.02844	3.0
99.00729	3.6
101.01749	2.8
101.02321	13.1
111.08050	7.5
113.02340	11.6
119.03391	4.2
125.02356	4.8
143.03438	3.4
161.68924	2.7
179.05544	3.2
195.13870	7.1
211.13434	2.9
235.08272	6.9
291.19653	100.0
292.20065	8.0
353.79953	2.5
397.13474	47.3
398.13760	3.6
415.14645	21.2
523.41614	3.0
626.39337	2.8
689.33765	10.8
692.73132	2.7
695.24585	3.0
749.30804	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	747.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
57.03082	1.1
57.03314	6.9
59.01249	14.8
71.01251	25.2
72.99183	17.6
73.02817	3.8
83.01309	1.3
85.02824	57.7
87.00745	4.6
89.02328	5.9
95.01273	14.3
98.20560	3.4
99.00725	2.8
101.02306	2.9
103.00237	3.2
113.02332	86.2
115.00241	4.9
116.17747	1.1
129.01837	1.3
131.03374	3.0
133.01321	8.9
157.01346	1.5
163.58073	1.3
163.64175	1.2
175.02397	9.5
193.03473	1.5
229.41876	1.3
235.04536	32.4
242.55647	1.2
256.09888	1.3
401.25861	1.3
643.34918	2.3
661.35693	4.9
703.37006	100.0
704.37274	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
58.00493	1.1
59.01253	21.9
61.98690	2.7
68.99698	1.7
71.00893	1.8
71.01258	21.6
71.57036	1.3
71.57383	1.2
72.99172	1.7
74.98820	0.9
75.00749	10.4
75.57094	1.1
76.89751	1.1
83.01254	2.5
84.12214	1.0
85.02819	8.3
87.00761	1.7
89.02320	9.5
91.08014	0.9
91.87023	0.9
95.01279	3.5
98.16711	1.0
99.00768	10.8
101.02320	3.4
113.02332	4.6
129.01868	1.0
131.03394	1.5
150.04630	1.2
157.01364	1.3
171.10228	1.1
173.24466	1.3
208.78595	1.0
309.08517	1.2
344.29163	1.1
397.13486	1.1
437.34213	4.5
500.71964	1.1
523.26337	1.4
604.81921	1.3
747.43311	100.0
748.43646	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	745.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67998	0.1
57.03315	0.1
59.01250	0.2
66.34122	0.1
71.01241	0.1
75.00742	0.4
79.95612	2.6
85.02831	0.3
89.29724	0.1
96.95894	100.0
97.95818	0.3
99.00782	0.1
113.02356	0.3
114.93280	0.3
147.33893	0.1
159.83647	0.1
195.06569	0.1
237.27376	0.1
320.13034	0.1
333.04044	0.1
471.34952	0.1
492.05042	0.1
515.36444	0.1
647.38116	2.3
648.38263	0.4
722.11060	0.1
745.27985	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	745.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62961	0.1
57.03313	0.3
59.01257	0.9
61.98709	0.4
71.01244	0.5
71.87339	0.1
73.02827	0.2
75.00732	0.5
79.95610	3.2
85.02823	0.4
85.66266	0.1
87.00744	0.2
88.98694	0.4
89.02296	0.2
96.95892	100.0
97.95821	0.3
98.20605	0.5
101.02305	0.3
113.02318	0.4
113.92541	0.2
114.93281	0.3
116.92749	0.2
153.18599	0.1
171.10188	0.2
208.18723	0.1
283.08331	0.2
365.23331	0.6
440.74332	0.1
526.16791	0.2
647.38135	2.0
648.38385	0.5
703.20551	0.2
745.36829	1.3
746.38202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
71.01253	0.8
72.99173	0.6
75.00748	0.9
79.95612	3.1
81.95187	0.8
85.02812	0.7
87.00758	1.0
96.95890	100.0
97.95820	3.4
98.19760	1.1
98.95471	35.8
98.96301	5.3
99.92461	11.2
100.93220	0.5
107.84420	0.4
115.91129	0.8
115.91962	17.9
116.92747	39.3
117.92764	1.2
121.72806	0.4
141.93536	0.5
142.94328	0.9
149.66635	0.5
170.93816	1.3
184.95346	1.2
256.93887	1.0
274.95132	1.0
453.69986	0.5
466.72385	0.5
555.27649	0.7
647.38477	0.8
648.37708	0.8
649.38403	1.6
651.88489	0.5
680.64441	0.5
687.34222	0.7
729.29236	3.9
747.30536	21.5
748.30933	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	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	41.2
59.57661	1.2
69.25829	1.1
71.01248	4.8
75.88579	1.2
78.95753	1.1
80.04929	4.9
85.02818	1.8
89.02310	2.1
96.95899	4.2
101.02345	2.8
106.06504	8.5
107.03664	1.7
108.04447	3.6
113.02341	2.9
118.06424	1.4
122.06014	12.7
129.64177	1.2
130.06531	1.4
134.06013	27.5
136.07562	3.2
145.21840	1.1
146.06046	2.8
148.04001	1.7
148.07585	1.4
152.07039	4.2
160.03937	2.6
164.15742	1.1
169.45580	1.2
174.05530	5.2
180.06610	8.7
181.96773	1.2
186.05458	1.8
188.07121	17.6
211.08658	2.4
213.10295	1.3
223.08812	2.3
225.10284	7.6
227.11884	4.9
237.10298	3.0
238.07433	1.5
239.08205	1.4
239.11847	2.9
249.10249	2.7
251.08220	1.9
251.11830	4.3
252.08955	2.0
253.09819	6.0
261.84003	1.2
264.09091	2.5
265.09839	3.9
267.11349	6.2
277.09729	5.4
279.07724	3.0
279.11383	4.8
285.12607	1.9
291.07806	2.1
293.09293	5.4
294.10095	2.1
295.10898	25.0
296.11105	2.3
305.09299	5.0
307.10916	21.1
308.11209	2.2
321.08908	1.9
321.12427	2.7
358.15729	1.7
372.17188	1.8
374.18707	1.7
400.16797	2.1
414.18311	4.4
442.17682	17.3
443.18231	2.4
460.18942	2.6
486.16687	4.3
497.27463	4.2
502.19864	55.5
503.19968	7.7
518.19263	4.4
543.06195	1.4
546.18805	100.0
547.19177	20.8
578.21484	35.1
579.21747	6.6
607.26080	2.1
669.25433	5.2
670.25378	1.7
745.27271	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	745.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.1
57.03347	1.0
59.01251	26.3
69.61488	4.3
69.61922	3.5
71.01255	21.2
72.99197	1.9
73.02825	4.1
77.18763	1.0
78.06635	0.8
83.01255	3.2
85.02821	7.5
87.00748	2.0
89.02323	12.4
95.01285	1.3
99.00774	1.7
101.02332	14.0
104.28443	1.1
109.02834	2.0
113.02316	7.9
119.03410	4.2
121.02839	6.3
122.03642	4.1
134.03691	1.2
135.04375	1.9
137.02338	1.8
142.00815	0.9
147.04443	3.3
148.05243	1.1
154.02612	1.2
161.05981	1.5
165.05487	14.5
179.07083	3.3
191.07176	1.2
202.36554	1.3
275.26843	1.0
313.14508	1.7
315.12292	1.7
325.14395	1.9
328.13300	1.2
329.13696	1.1
343.15588	2.7
346.14133	3.4
347.14877	2.1
361.16571	38.7
362.16818	3.2
372.79544	1.0
479.16696	1.0
505.20749	4.0
523.21802	35.2
524.22156	4.6
549.58258	1.1
685.27130	100.0
686.27362	16.4
706.32294	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	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82541	0.3
59.01256	1.0
61.50613	0.3
71.01251	0.6
80.02097	0.4
85.02841	0.4
93.03340	2.2
96.95881	0.3
105.40740	0.3
114.34344	0.3
119.73517	0.4
121.02855	3.9
122.03629	9.8
123.04468	0.6
124.01530	0.4
133.02859	1.2
134.03609	0.5
135.04448	0.5
136.01561	8.6
136.02563	0.6
137.02309	1.3
143.24905	0.3
149.02351	11.4
150.03139	68.8
151.00311	1.7
151.02534	0.5
151.03940	9.3
163.03857	0.4
163.51157	0.3
164.04724	2.7
165.05498	91.3
166.02637	6.3
166.05811	3.9
167.03249	0.5
170.00764	0.4
175.03949	1.0
175.07629	0.5
177.05611	0.5
180.04234	5.6
181.05008	8.8
182.05418	0.6
185.07034	0.3
189.05505	0.4
190.06296	1.1
195.06570	100.0
196.06892	4.5
221.08096	0.9
230.13535	0.4
329.10248	0.6
342.11118	1.1
357.09650	2.2
357.13443	8.4
358.13785	0.9
369.13470	0.8
372.11981	1.9
373.12671	0.6
387.14505	26.3
388.14914	3.1
444.41681	0.4
448.54190	0.3
505.18619	0.6
535.19763	3.1
536.20129	0.6
553.20685	1.4
565.20551	0.5
583.21771	12.2
584.22247	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	743.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55733	0.6
55.01756	0.8
57.03320	6.0
59.01257	3.8
61.98708	0.9
66.92134	0.7
67.01766	0.9
67.12068	0.5
68.99686	1.5
69.03317	2.5
69.14492	0.6
71.01262	5.8
71.49316	1.3
72.99195	3.2
73.02816	0.8
75.00749	45.7
76.01092	0.7
78.95803	0.9
83.01246	2.5
84.02042	0.6
85.02829	32.5
87.00752	2.3
88.54709	0.7
88.98682	1.3
95.01264	3.8
96.11638	0.7
97.02825	4.4
99.00762	2.3
111.00769	1.0
112.01551	1.3
112.39989	0.6
113.02339	13.5
117.01856	1.3
125.02350	4.7
138.95352	0.7
158.39058	0.6
165.75792	0.8
171.10191	1.9
175.02420	0.9
243.29901	0.7
277.21445	0.9
293.21286	0.7
343.35901	0.6
400.18570	0.7
507.27463	0.9
643.42834	0.9
725.43146	0.7
743.43762	100.0
744.30798	1.1
744.44073	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.0
69.59883	6.7
71.01259	1.7
85.02821	1.0
89.02323	1.3
93.03331	5.2
95.01289	1.2
98.20528	1.5
105.51458	0.8
108.02054	0.9
114.07568	1.1
119.03432	1.0
121.02840	15.3
122.03637	19.0
123.00787	0.8
124.01536	1.9
133.02853	2.4
133.19267	0.8
134.03639	1.6
135.04416	9.1
136.01566	21.8
137.02330	3.7
139.03978	1.2
146.03593	1.1
147.04404	2.7
149.02354	29.1
149.03558	1.5
150.03136	100.0
151.00272	4.6
151.03937	23.0
152.01042	2.0
152.04410	1.3
154.02638	1.3
160.05215	2.0
161.06065	1.4
162.03152	1.0
163.03920	2.5
164.04659	6.3
165.05489	95.7
166.02634	17.5
166.05708	4.2
167.03424	2.9
172.05157	1.5
175.03920	4.7
177.01814	1.1
177.05542	1.2
180.04185	5.4
181.04987	17.7
189.05461	4.3
190.06259	6.9
191.03477	0.9
195.06566	66.4
196.06905	2.9
205.04942	1.2
205.08731	1.3
221.08115	1.1
239.57352	1.0
282.05127	1.5
282.29004	0.9
293.93182	1.0
297.07651	1.2
315.08817	1.8
326.11273	0.9
329.10257	2.6
340.09528	0.9
342.11124	1.3
355.11874	1.8
356.12399	1.6
357.09692	3.6
357.13461	13.5
358.10141	1.5
369.13733	2.1
372.12234	4.5
373.12793	2.4
386.13651	1.9
387.14499	53.2
388.14569	4.4
490.16406	1.0
505.18683	4.7
535.19720	67.3
536.19995	9.8
553.20947	1.4
565.20642	2.5
583.21851	28.1
584.22095	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	743.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
60.99180	16.0
61.98697	1.0
71.57615	0.5
72.02995	0.4
73.16286	0.4
87.00735	2.5
88.00282	4.9
88.98680	100.0
89.02316	17.3
89.99003	1.0
113.02284	0.4
135.97791	0.4
171.10184	1.1
255.23257	0.5
293.21234	0.5
332.67673	0.4
397.13480	1.3
637.36230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80186	21.3
70.80521	28.5
77.44346	14.9
78.95774	100.0
79.47346	18.2
85.68280	16.8
87.09837	16.0
88.92870	19.8
96.96825	16.8
103.40198	18.4
107.52542	16.6
112.83533	16.8
152.99507	52.0
164.47905	16.9
191.45715	18.6
242.43408	17.1
265.94980	17.8
277.21762	19.5
277.93320	16.7
669.65503	22.3
743.45636	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	43.7
61.98710	10.4
67.76091	3.6
71.01264	7.0
71.57455	4.6
101.02390	4.4
137.94324	4.0
151.11176	4.9
154.94484	3.7
169.12280	26.7
171.10191	48.0
195.13809	9.9
211.13368	4.9
215.12875	5.2
253.09360	7.3
293.21173	38.0
486.96140	4.8
743.42316	100.0
744.42627	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	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	43.7
61.98710	10.4
67.76091	3.6
71.01264	7.0
71.57455	4.6
101.02390	4.4
137.94324	4.0
151.11176	4.9
154.94484	3.7
169.12280	26.7
171.10191	48.0
195.13809	9.9
211.13368	4.9
215.12875	5.2
253.09360	7.3
293.21173	38.0
486.96140	4.8
743.42316	100.0
744.42627	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	743.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00980	0.9
59.01250	6.9
64.68504	0.5
67.01747	0.7
69.85153	3.0
71.01249	0.9
74.59381	0.5
86.61303	0.5
95.04903	0.5
96.95911	0.9
98.19891	1.0
108.04443	0.7
113.02354	0.8
120.04465	3.2
121.05237	1.6
122.06020	6.1
131.04446	0.5
132.04509	0.9
134.06047	4.2
135.06754	1.0
136.07581	13.4
137.07870	0.7
148.07565	0.7
161.07117	0.7
162.05487	0.7
171.11696	2.1
186.09225	0.5
189.10188	0.9
190.05008	1.1
198.09187	1.8
199.09988	2.0
214.12323	12.3
215.12563	0.6
226.07410	0.8
227.08076	2.8
228.08992	0.5
229.09795	4.8
230.11911	4.4
241.09793	7.7
242.10570	15.4
243.10907	0.7
256.12103	0.9
257.12949	92.4
258.13309	5.2
283.10959	0.6
301.11938	100.0
302.12244	7.4
309.20627	0.9
337.11951	2.0
393.65985	0.6
397.14011	5.3
398.14752	0.7
428.12933	0.5
547.73553	0.6
602.21643	0.5
623.25177	0.5
743.31628	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	743.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.2
61.98706	0.3
64.05457	0.2
66.40747	0.2
71.01254	0.6
71.57762	0.3
72.99199	0.3
75.00757	1.2
78.95776	0.2
79.95609	2.9
85.02831	0.8
96.95894	100.0
97.95817	0.3
113.02323	0.6
114.93295	0.3
171.10143	0.4
172.65260	0.2
215.12799	0.3
217.38815	0.2
384.68567	0.2
469.33533	0.3
569.63409	0.2
645.36481	3.6
646.36816	0.7
683.31628	0.3
743.37469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.9
71.01258	2.7
73.02856	1.0
78.95803	1.0
83.04897	3.6
85.02855	0.8
87.00784	1.0
89.02319	2.5
92.35726	0.9
95.41675	0.8
101.02316	3.2
113.02335	2.0
119.03389	1.3
123.43835	0.8
125.09595	2.1
125.18952	0.8
127.11189	2.0
143.03442	0.9
152.99556	0.8
161.04500	1.9
163.11201	3.1
165.09177	1.2
165.12791	1.5
171.10130	1.6
192.76308	1.0
201.11270	40.6
202.11652	1.8
209.11774	80.4
210.12036	5.3
227.12846	10.4
235.08211	7.4
253.09279	14.5
254.09692	1.0
268.06033	1.0
277.21732	100.0
278.22067	8.3
503.63043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	22.2
69.03313	2.3
71.01242	7.5
71.57619	4.5
75.00719	2.1
77.76944	2.2
78.95815	2.4
83.04913	3.2
89.02316	4.1
96.95890	4.3
97.06489	5.9
97.18964	2.8
101.02273	5.9
111.14272	2.0
113.02347	4.3
132.56532	2.7
151.11182	13.3
167.12469	3.4
169.12265	76.0
171.10242	5.5
183.13766	2.2
195.10164	2.4
197.11717	13.2
209.11807	5.4
211.13316	4.7
213.11418	13.0
213.13162	2.5
227.12793	2.9
235.07974	2.8
253.09332	5.3
277.21747	4.9
291.19650	9.9
295.22638	3.5
309.20654	12.1
387.35553	2.6
431.19250	4.7
449.20230	7.6
505.25818	5.7
629.09265	2.5
741.40625	100.0
742.41010	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98426	1.5
57.03302	5.0
59.01254	24.1
61.98687	3.2
67.83830	1.7
68.22179	1.4
71.01254	8.4
73.02800	1.8
75.00748	3.6
83.01236	1.7
85.02848	3.8
87.00730	2.1
89.02319	4.8
89.27886	1.6
93.45206	1.5
95.01255	1.9
97.06472	1.8
101.02328	5.4
113.02322	5.9
119.03461	2.3
121.02825	3.6
125.09525	2.3
126.64165	1.5
133.58566	1.4
139.11143	2.8
141.01671	2.1
141.12752	3.2
143.03429	1.6
151.11235	2.0
161.04428	1.8
165.01866	1.4
166.91628	1.6
167.10710	2.3
169.12248	6.4
171.10164	4.0
179.05528	1.9
183.14006	1.6
185.11766	100.0
186.12038	3.6
194.46605	1.5
195.13853	3.6
196.21259	1.3
197.11783	3.1
201.11168	2.4
209.11787	6.4
211.13297	5.9
223.13405	1.8
227.12794	2.7
229.10838	1.8
229.24133	1.6
235.08107	1.6
253.09250	8.3
277.21771	5.5
291.19925	1.7
293.21265	17.3
294.21658	2.3
295.22650	2.6
309.20700	2.5
357.06210	1.9
465.20181	3.0
505.25552	3.1
647.37970	4.7
741.40723	86.9
742.41187	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	741.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49227	1.4
57.03325	2.1
59.01253	21.3
61.98696	5.1
69.03320	2.4
70.14438	4.8
71.01250	8.8
75.00749	3.2
78.95759	2.4
85.02798	3.1
87.00757	3.4
89.02305	4.2
90.31779	1.3
101.02338	4.6
113.02345	2.5
120.58614	1.3
121.02808	2.7
123.08124	1.6
124.10410	1.4
125.09571	3.7
133.48639	1.4
139.11179	2.3
141.01552	1.6
141.12766	1.8
167.10698	3.1
169.12265	3.4
171.10229	6.8
174.21957	1.5
178.90053	1.6
185.11768	100.0
186.12038	3.4
187.09608	1.7
187.28020	1.7
195.13809	5.9
196.60405	1.4
209.11810	6.5
211.13371	7.7
211.20239	1.5
227.12799	2.3
229.10675	3.5
231.63994	1.7
237.29449	1.4
253.09259	7.9
275.20010	1.8
277.21619	3.8
293.21219	18.9
295.22687	2.3
309.20850	2.0
334.04483	1.5
350.85187	1.6
436.38193	1.5
465.19534	2.7
523.79163	1.8
539.45178	1.5
549.55237	1.4
560.91028	1.7
634.57599	1.5
647.37927	4.4
648.38483	1.9
709.56079	1.8
741.40674	80.6
742.40906	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	741.1887
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
58.05387	0.7
59.01261	0.9
65.04904	0.7
66.89124	0.7
69.53284	2.8
69.53712	2.8
85.02795	0.8
87.23880	0.7
97.85425	0.7
120.47468	0.8
145.52649	0.8
151.00284	3.5
171.04491	0.9
175.03975	1.1
199.03932	3.5
211.03850	0.8
215.03455	1.6
227.03447	2.6
243.02855	4.0
255.02965	1.8
271.02469	49.1
272.02844	2.7
283.02725	0.9
299.01953	100.0
300.02554	14.6
301.03513	7.6
405.46234	0.9
462.08032	27.5
463.08661	4.5
508.07834	0.8
579.13568	8.9
580.14191	1.1
635.90204	0.9
741.18738	60.2
742.18732	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	741.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
59.01254	100.0
69.68548	7.0
71.01261	12.7
73.02805	4.6
83.01273	1.6
85.02834	7.7
87.00768	1.0
89.02312	2.5
95.01234	1.2
99.00751	3.4
101.02331	10.2
113.02318	6.6
123.08045	1.1
125.02298	1.1
138.01874	7.0
151.00301	1.1
159.02885	1.3
161.04489	6.4
177.12788	0.9
183.14197	0.9
191.01778	1.0
205.12279	9.0
217.47432	1.0
255.02864	1.0
256.03326	1.4
269.04568	2.6
269.10287	10.3
284.03275	2.5
286.03735	1.0
296.23056	0.9
300.02838	1.0
311.11325	4.3
326.99622	0.9
332.58405	0.9
741.21722	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	740.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44446	0.2
59.01249	2.9
60.01591	0.2
61.01683	0.4
61.98705	100.0
81.03354	0.5
82.03687	0.2
83.04897	2.0
84.05260	0.7
90.73855	0.2
95.12980	0.2
108.08486	0.2
115.38003	0.2
173.26617	0.2
225.16049	0.8
226.16422	0.8
227.16588	0.5
229.45387	0.3
250.53130	0.2
255.03154	0.2
268.52252	0.2
376.48157	0.2
452.33368	0.3
453.33746	0.5
454.33499	0.2
678.49823	1.6
679.50269	6.4
679.61780	0.3
680.50555	11.0
681.50848	0.6
740.49695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16536	0.5
59.01251	5.9
61.98703	2.9
68.14812	0.5
71.01257	2.1
74.84151	0.5
77.03832	2.5
78.95802	0.5
83.04904	0.6
95.04918	0.5
98.19725	0.7
101.02335	1.0
121.02843	100.0
122.03209	2.9
141.01593	2.1
165.01843	68.5
166.02179	3.3
180.05841	0.5
181.06511	2.3
183.13737	0.5
185.11749	1.1
191.03479	1.4
197.11717	0.8
199.13304	0.7
199.28778	0.5
209.11772	11.2
210.12076	3.8
211.13338	4.9
212.13669	2.5
225.05501	1.3
227.12862	3.6
228.13071	1.2
235.08041	0.8
253.09280	2.5
254.09467	0.8
275.19913	0.7
276.20529	0.9
277.21677	2.4
291.19666	0.9
292.19958	0.8
293.21304	4.1
294.21527	3.4
304.77869	0.6
309.20764	1.3
310.20782	0.6
313.07220	1.3
357.06165	10.0
358.06064	0.7
732.69574	0.6
740.39575	0.6
741.14545	3.6
742.15399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01250	9.0
61.98697	3.2
71.01263	9.0
73.02821	1.2
78.95772	3.5
80.96443	0.9
82.63634	0.8
83.01255	1.1
85.02822	2.0
85.49366	0.8
87.00761	1.9
89.02310	4.1
95.04926	1.5
101.02304	3.8
109.06458	2.0
113.02325	2.3
121.06506	0.8
125.02325	1.2
125.09631	0.8
127.11166	1.8
145.04951	1.1
152.99489	2.3
153.12843	0.9
161.04449	1.7
163.11192	3.5
171.10181	98.4
172.10535	2.5
179.05519	1.3
179.10628	1.5
181.12218	2.5
189.09109	2.1
197.11774	2.7
199.13345	9.3
201.11237	2.5
207.10231	9.3
209.11688	1.2
217.04538	1.0
225.11273	43.3
226.11580	1.9
229.79904	0.9
235.08301	5.1
235.10310	1.1
243.12381	4.0
253.09241	11.3
277.21722	100.0
278.22095	6.1
293.21115	1.5
295.22778	0.9
314.75723	0.8
407.18964	2.3
443.18982	3.2
445.19919	0.8
461.20337	6.0
513.30951	0.9
651.04535	1.0
721.41156	2.1
739.42352	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33376	0.6
57.03322	1.3
58.00457	0.7
59.01251	7.5
63.41306	0.6
71.01260	7.6
71.04889	3.5
71.14767	1.6
73.02806	0.8
77.55134	0.7
83.01222	0.9
85.02820	0.8
89.02325	4.1
95.04872	0.9
97.02818	3.9
97.06464	3.0
99.00755	20.4
100.01099	0.9
100.54761	0.6
101.02330	2.3
109.06471	1.5
110.03616	1.4
111.04394	0.7
113.02357	1.9
117.18649	0.6
119.03318	1.0
123.08061	1.2
124.38677	0.7
125.09624	8.0
135.08044	1.2
142.02628	1.0
149.94379	0.7
153.12746	1.3
155.14168	0.9
163.11203	11.7
171.10188	2.3
179.05344	0.8
179.10765	1.0
181.12271	21.9
182.12614	0.9
183.13947	1.0
197.11787	1.9
199.13329	17.0
200.13597	1.0
207.10205	34.5
208.10599	1.2
209.11517	0.8
218.70732	0.7
225.11281	56.1
226.11642	2.7
243.12346	31.5
244.12585	1.5
253.09268	2.4
277.21729	25.3
278.22211	1.1
293.21143	0.8
461.20251	6.2
479.21292	16.1
480.21933	1.0
721.40942	1.0
739.42737	100.0
740.42993	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87720	1.3
55.59779	1.5
59.01244	10.4
71.01263	8.5
71.04891	3.8
71.57915	1.4
73.02800	1.8
85.02846	1.5
89.02320	2.3
92.10001	1.4
97.02824	2.6
97.06508	1.7
98.19782	3.4
99.00766	13.8
101.02316	3.6
113.02349	2.0
114.68173	1.7
120.92053	1.4
123.82596	1.8
125.09592	5.2
163.11211	9.3
171.10147	4.2
181.12271	18.6
194.13049	1.5
197.11766	3.1
199.13330	25.2
200.13737	2.4
207.10197	36.6
208.10387	1.7
211.13388	1.7
225.11288	79.4
226.11710	2.0
229.74008	1.9
235.08192	3.1
243.12354	16.6
253.09238	6.5
277.21725	71.0
278.22025	5.3
299.09421	2.3
387.65756	1.5
404.02405	1.7
452.81339	1.6
461.20285	13.2
479.21216	5.4
721.42163	7.4
739.42761	100.0
740.43054	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.4
69.25888	4.2
69.26312	6.5
71.01265	6.3
72.52572	0.8
85.02827	1.6
87.00716	1.2
89.02324	2.7
95.04870	1.1
101.02323	5.5
101.21749	0.9
109.85687	1.0
113.02328	1.7
134.01740	1.0
134.05850	0.9
146.17569	0.9
152.09833	0.9
165.12758	9.4
179.14270	1.1
183.13840	79.7
184.14153	3.8
195.13860	9.1
205.12384	1.1
209.11790	4.5
211.13260	5.4
223.13341	6.4
227.12874	6.2
235.08183	2.6
253.09270	9.6
275.20117	5.5
291.19742	1.3
293.21231	62.9
294.21460	4.2
309.20526	1.5
325.78995	1.1
445.21094	2.8
463.21704	3.9
485.18030	1.1
492.21204	1.1
500.47464	1.2
625.55823	1.3
739.42755	100.0
740.43018	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30045	0.7
55.01748	1.5
57.03312	1.6
57.91468	0.7
59.01255	9.6
69.03337	1.1
70.14484	3.0
71.01264	6.2
71.04888	3.4
77.19329	0.7
78.95774	0.9
83.04886	1.0
85.02815	2.2
85.82819	0.6
86.00336	0.7
87.00740	1.3
88.25453	0.7
89.02309	2.3
90.79060	0.9
91.28249	0.7
97.02836	2.8
97.06483	2.5
98.20551	0.8
99.00755	15.0
101.02336	4.6
109.06483	1.0
110.03609	1.0
113.02332	2.0
116.05488	0.8
123.08043	1.9
125.09613	6.5
127.13243	0.7
129.02362	0.7
142.02573	1.6
152.99484	1.2
161.04355	0.9
163.11212	8.7
171.10135	2.5
179.10699	0.8
181.12271	12.1
197.11743	0.9
199.13353	13.8
200.13728	1.0
207.10199	28.2
208.10437	1.1
225.11276	46.3
226.11598	1.3
235.08098	2.6
243.12314	8.3
253.09387	4.6
277.21735	74.4
278.22076	6.2
293.21118	1.4
296.46683	0.7
403.89822	0.8
443.19086	2.7
461.20297	5.8
479.21317	2.2
721.41699	6.3
722.41864	1.6
739.42749	100.0
740.43109	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23386	0.6
55.01746	1.2
57.03304	2.4
59.01243	6.5
61.44570	0.6
63.41002	0.6
65.14542	0.9
69.87151	4.1
71.01254	6.1
71.04897	5.6
73.02818	1.7
83.01279	0.8
83.04915	1.3
85.02822	2.5
87.00748	2.2
89.02301	1.9
95.04894	1.7
96.04716	0.6
97.02841	3.9
97.06464	5.2
98.19881	0.8
99.00757	20.8
100.01038	0.8
101.02303	4.4
106.04134	0.9
109.06480	1.4
110.03578	0.9
113.02325	1.4
121.55240	0.7
123.08016	2.9
125.09608	10.2
135.08066	1.2
136.05217	1.2
142.02644	1.5
145.04979	0.7
145.10114	0.7
161.04469	1.1
163.11200	14.1
165.15512	0.6
171.10115	1.0
181.12265	22.3
197.11682	0.8
199.13297	8.4
207.10214	25.7
207.12195	1.3
208.10507	1.1
209.11545	0.7
225.11276	34.7
226.11597	1.6
235.08185	2.2
243.12341	12.7
253.09232	2.5
277.21732	39.6
278.22253	3.7
281.25003	0.8
394.76700	0.6
397.13452	1.5
452.71536	0.7
461.20239	4.9
479.21332	5.5
480.21750	0.9
577.37268	1.1
739.42743	100.0
740.43048	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	739.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.3
58.00476	3.3
59.01255	96.8
61.84666	3.5
61.98699	15.5
69.33279	3.4
71.01254	59.5
71.58844	4.1
72.99165	3.3
73.02820	11.7
83.01251	9.7
85.02814	25.9
87.00768	5.6
89.02316	18.6
93.58625	3.8
95.01258	4.6
96.95898	7.1
99.00780	5.5
101.02328	30.6
110.08553	3.5
111.00777	5.1
113.02319	33.0
119.03354	5.8
119.91127	3.4
125.02360	4.2
134.03647	3.3
143.03346	4.8
161.04510	7.5
211.13441	5.2
232.64996	3.3
254.34978	3.4
267.96341	3.2
350.63260	4.5
357.87979	3.5
409.13013	3.4
473.34152	3.6
489.54984	3.6
491.36105	6.3
635.40143	100.0
636.39984	16.0
653.31287	5.9
653.41174	68.6
654.41553	9.6
695.41748	16.0
697.69409	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	739.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.5
57.03325	7.0
59.01254	19.5
61.98702	6.8
68.99701	3.8
69.86509	11.0
70.62115	1.7
71.01252	31.8
72.99170	4.4
75.00741	5.1
83.01258	4.6
83.04901	1.8
85.02829	44.4
87.00755	3.2
89.02319	2.8
95.01266	3.7
97.02818	3.9
98.19759	2.0
99.00738	5.5
101.02332	5.0
111.00706	1.8
111.08054	3.8
112.01577	4.3
113.02332	60.8
150.57518	1.8
154.99579	1.9
157.01262	2.3
161.04430	4.6
163.11215	1.9
165.12854	3.1
169.12296	4.4
171.10161	3.7
183.13853	18.5
185.11740	2.8
192.10988	1.8
193.12318	2.2
195.13846	3.4
197.00644	5.5
197.11809	17.8
207.10194	2.6
209.11755	22.4
210.12135	3.1
211.13338	100.0
212.13672	5.3
225.11455	2.4
227.12877	8.7
235.08372	4.0
253.09268	15.0
273.18616	2.5
277.21509	1.9
291.19583	19.6
292.19946	2.6
293.21228	22.0
294.21869	2.6
309.20724	35.0
447.22632	3.7
453.33853	3.7
455.35220	27.0
456.35895	3.1
483.35028	3.3
537.35760	8.8
551.37598	4.2
579.45416	2.0
591.36462	2.5
613.37561	31.3
635.35260	4.3
651.38477	8.8
653.36511	13.7
654.37390	2.2
695.37762	42.4
696.38220	7.9
739.42511	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	739.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
58.00471	1.2
59.01254	100.0
60.01610	0.9
69.03329	1.4
69.62586	5.9
71.01256	32.8
73.02821	35.8
75.00780	1.6
83.01259	13.0
85.02829	5.5
87.00779	1.4
89.02319	7.6
96.95906	0.9
97.02811	1.6
99.00751	1.2
101.02332	39.3
107.42865	1.0
113.02338	15.1
119.03404	3.9
125.02360	2.5
125.62095	0.9
131.03412	3.9
136.01579	1.1
139.03596	0.8
143.03386	4.1
149.04457	7.8
155.03430	1.8
160.03955	5.2
161.04454	12.3
170.46097	0.9
181.02876	0.8
192.85544	0.8
204.25848	0.9
209.87123	0.8
221.06657	2.5
227.03508	1.4
255.03004	4.5
284.03268	5.1
285.03934	2.1
332.39639	0.9
498.34955	1.1
528.01929	0.9
553.03528	1.0
739.21216	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	739.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.9
59.01250	5.6
63.64672	0.6
71.01265	3.3
71.58940	1.3
71.77361	0.6
75.00734	0.9
76.60248	0.6
77.71575	0.6
85.02803	1.5
89.02293	1.5
93.03328	0.8
96.95877	2.0
99.00788	1.0
101.02314	1.5
108.02094	3.1
109.02844	2.0
111.00854	0.7
113.02323	1.3
121.02856	3.9
122.03635	0.8
123.04405	1.3
127.74327	0.7
135.02817	0.7
135.04443	1.8
136.01572	22.0
137.02353	4.7
145.02838	2.0
146.03586	0.7
147.04393	0.7
149.02335	0.7
150.03105	1.5
151.03925	24.0
159.04417	1.5
160.05182	1.0
161.02254	0.7
161.05972	2.3
163.03896	2.5
165.04102	0.8
165.05441	1.6
172.05249	1.5
173.05899	1.7
175.03935	1.8
176.04678	1.3
177.05470	1.2
189.05544	3.1
190.06291	3.5
191.07021	1.6
193.05014	1.9
196.97081	0.6
201.05565	1.1
205.08485	0.7
209.05992	1.0
221.06250	0.6
225.05542	1.3
227.03569	1.5
237.05650	1.1
238.06332	1.3
239.07155	0.9
240.04070	1.0
241.05037	2.7
251.07230	0.8
253.05055	2.8
255.02940	2.4
255.06641	0.9
257.08127	0.8
265.05084	1.9
266.05746	2.2
267.06958	1.7
268.07431	1.3
269.04587	7.1
270.05301	0.8
274.06076	0.6
275.06934	0.6
278.05814	0.7
279.06625	2.1
280.07434	1.5
281.04550	13.0
281.08130	2.6
282.05316	1.5
282.08862	0.8
283.06128	1.4
283.74036	0.7
284.03351	2.0
284.06879	6.2
285.07468	1.1
290.05884	0.9
291.06696	0.9
292.07288	0.9
293.08221	1.7
295.06238	2.3
295.09729	1.0
296.06934	12.4
297.07452	1.7
298.08453	1.5
299.09253	6.9
305.08398	1.1
307.09848	0.8
309.07782	1.3
309.15768	0.8
311.09326	7.3
313.10837	1.4
321.07629	2.0
323.09180	1.9
324.09888	1.5
335.09067	0.9
336.09943	2.8
337.10681	1.3
338.11411	1.3
339.12433	3.1
351.12216	1.9
355.11566	0.7
395.09207	0.7
399.14438	2.8
411.13956	0.6
415.12054	0.9
427.11801	2.8
430.14484	1.1
439.11923	1.5
441.98224	0.7
442.14258	3.0
445.16483	2.2
454.14444	0.8
457.16586	2.5
459.14566	1.6
460.15384	2.0
471.14615	0.8
472.15930	2.8
475.18359	9.7
476.18423	1.1
487.13699	5.2
487.17651	4.9
488.14172	1.1
490.16251	3.1
491.16763	0.8
499.17590	0.8
502.16382	6.4
503.16238	1.0
505.18701	64.4
506.18954	8.1
517.18683	100.0
518.19000	13.1
535.19781	4.3
621.59857	0.7
624.96887	0.7
641.62390	0.6
722.88031	0.7
739.33032	2.0
748.64795	0.8
762.05780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
63.02253	0.5
65.00185	0.6
69.69046	2.0
69.69450	0.8
89.68295	0.4
92.63653	0.5
95.01326	0.4
107.01293	2.2
110.52521	0.4
112.63555	0.5
117.03384	0.5
132.02068	1.5
135.00725	1.1
151.00272	4.2
163.00291	1.2
164.01027	0.7
169.01352	0.8
169.06534	0.5
173.06075	0.4
178.99782	2.0
183.04393	1.1
185.06027	0.7
187.03922	1.4
199.03918	0.5
205.09076	0.4
211.03999	2.7
213.05502	0.7
227.03442	48.8
228.03809	2.6
229.05013	3.1
239.03558	1.0
240.03932	0.5
255.02959	88.0
256.03488	9.4
257.02151	0.5
257.04477	3.1
274.20206	0.5
283.02432	2.4
284.03247	100.0
285.03937	26.8
286.04309	1.5
327.05008	1.1
575.14203	1.2
739.20892	74.6
740.21307	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54066	1.2
59.01248	11.7
61.98707	1.2
62.86740	1.3
70.71978	1.4
71.01241	5.9
71.57677	1.3
72.99186	1.6
75.00755	1.7
75.39484	1.0
82.56316	1.1
83.01286	2.3
85.02840	2.7
85.88248	1.0
87.00746	1.9
89.02326	1.7
95.01213	1.2
96.95884	11.6
99.00758	2.0
101.02340	2.8
107.01290	2.0
113.02328	3.5
117.03355	15.5
119.04946	1.8
125.02274	1.2
132.02040	1.4
145.02858	30.3
146.03215	1.8
147.07991	1.2
150.03174	1.3
151.00261	2.2
163.00348	1.7
165.05493	2.7
175.03961	1.4
176.07066	1.3
193.04982	1.6
211.03868	1.3
227.03462	36.5
228.03868	3.7
229.04988	2.1
240.35147	1.4
255.02985	64.0
256.03561	6.7
257.04483	1.6
267.07166	2.5
283.02472	3.2
284.03265	100.0
285.03934	19.6
516.91748	1.4
593.15070	21.4
594.15247	2.7
619.13940	2.3
739.19037	42.2
739.33575	10.4
740.18787	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	739.2093
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
63.02241	0.9
65.00195	0.9
68.87545	0.8
70.34507	0.8
71.46180	0.9
71.55904	0.8
71.56241	1.0
93.03327	1.0
107.01283	1.9
135.00755	1.4
139.78477	0.9
151.00241	3.3
163.00273	1.3
169.01340	1.1
183.04411	2.5
187.04015	1.3
210.95767	0.8
211.03905	4.2
212.04268	1.4
227.03448	42.1
228.03751	2.6
229.04959	2.7
255.02969	79.8
256.03394	11.3
257.04440	3.3
283.02472	17.3
284.03207	100.0
285.03952	23.8
286.04343	1.6
362.61282	1.0
395.65332	0.9
512.93268	0.8
670.39148	0.9
714.60352	0.9
739.20886	53.8
740.21185	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44073	0.1
59.01247	1.1
61.98703	100.0
69.64806	0.1
71.01257	1.1
72.01594	0.1
72.99191	0.1
73.02805	0.2
85.02840	0.2
87.00723	0.1
89.02322	0.9
97.02871	0.1
101.02332	0.6
102.02655	0.1
113.02354	0.4
114.02686	0.1
115.02846	0.1
119.03419	0.2
125.02322	0.2
138.97394	0.1
142.44580	0.1
146.44550	0.1
161.04401	0.2
170.05180	0.1
179.05624	0.2
211.13400	0.2
225.11501	0.1
235.08212	0.3
277.21777	1.1
278.22058	1.3
279.22302	0.7
280.22769	0.2
311.79645	0.1
376.59421	0.1
378.06735	0.1
397.13467	0.7
398.13754	0.9
399.14041	1.3
400.14447	0.6
415.14853	0.1
416.14890	0.3
417.14966	0.6
418.15619	0.2
568.40747	0.1
623.25708	0.1
691.29761	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.5
61.01677	0.1
61.98704	100.0
62.98409	0.2
71.01249	1.0
72.01624	0.2
73.02831	0.2
74.78840	0.1
77.78462	0.1
83.01289	0.1
87.00772	0.2
89.02330	1.0
97.02819	0.2
98.19772	0.3
101.02324	0.7
113.02377	0.5
119.03428	0.2
125.02373	0.3
143.03429	0.1
154.87877	0.1
178.61641	0.1
179.05571	0.2
209.11800	1.0
209.23323	0.1
211.13420	0.4
227.12894	0.2
235.08177	0.1
236.08679	0.2
253.09251	0.2
277.21732	1.1
278.22058	1.2
279.22516	0.5
279.42548	0.1
291.19803	0.2
293.21317	0.8
305.09201	0.2
308.18982	0.1
397.13333	0.6
398.13791	1.0
399.14011	1.4
400.14017	0.8
409.81396	0.1
415.14737	0.2
416.14987	0.2
417.15161	0.6
418.15475	0.2
455.00989	0.2
652.69861	0.1
711.11609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53427	0.8
55.01754	0.8
57.03305	1.5
59.01254	8.1
69.03326	5.2
71.01249	5.8
71.14956	1.3
73.02813	1.8
74.61687	0.6
81.01286	0.6
85.02806	1.0
87.00767	1.0
89.02326	3.1
89.20280	0.7
96.62645	0.8
97.06477	0.9
101.02354	3.4
113.02334	1.8
123.08034	1.2
125.09608	2.2
151.11241	3.2
153.12782	1.3
161.04366	1.2
161.09624	4.7
169.12270	1.8
179.10689	11.2
180.11029	0.8
197.11772	45.5
198.12134	2.5
223.09708	1.9
235.08418	0.8
238.89355	0.6
241.10808	2.9
253.09244	3.2
277.21719	61.8
278.22043	5.9
293.21310	0.9
333.10901	0.8
459.18918	1.4
477.19684	2.5
737.41199	100.0
738.41510	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	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59249	0.6
57.03328	1.2
58.05726	0.6
59.01250	6.7
61.98700	0.9
69.03335	1.0
69.05759	0.6
69.26343	2.0
69.26754	4.5
71.01258	5.5
71.04896	1.6
72.99222	0.6
73.02822	2.3
79.89989	0.7
83.01293	1.2
83.04868	0.6
85.02818	1.4
87.00740	1.2
88.83059	0.7
89.02325	4.2
93.96437	0.5
95.01290	0.9
95.04893	0.8
95.13956	0.6
97.06472	1.2
98.19764	1.2
101.02322	3.7
111.08041	4.8
113.02325	2.5
119.03394	1.3
133.04971	0.9
144.56152	0.7
161.04463	2.0
165.12753	8.1
167.10667	0.9
177.12775	1.3
179.10683	1.1
183.13837	100.0
184.14188	4.4
195.13850	2.4
207.10382	0.8
209.11823	5.5
211.13342	4.3
227.12869	8.4
234.85829	0.6
235.08186	4.9
247.20683	1.4
253.09265	6.6
273.18652	0.9
277.21722	1.0
289.18100	1.3
291.19672	40.8
292.20105	3.4
293.21173	1.0
307.19199	1.2
419.22595	1.1
445.20612	3.2
463.21878	8.1
464.22876	0.6
527.28516	1.2
737.41205	59.6
738.41595	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	737.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.4
59.01257	10.8
61.98700	3.9
62.76949	1.5
62.83939	1.3
65.96355	1.0
69.03342	1.2
71.01256	9.3
73.02818	2.3
79.33428	1.3
79.49667	1.2
83.01263	2.5
83.04910	2.4
85.02832	1.7
87.00713	1.7
89.02314	3.2
97.02829	6.5
99.00765	16.7
101.02342	5.3
109.06498	4.0
110.03631	1.5
111.08042	2.0
113.02334	2.6
120.36201	1.3
125.09614	4.2
135.08032	2.1
136.05197	2.0
142.02602	2.4
161.04488	2.2
163.11209	10.0
171.10258	1.9
181.12289	16.0
195.13763	6.8
197.11809	3.0
197.50719	1.3
199.13362	3.7
207.10213	52.2
208.10495	1.5
209.11803	19.2
211.13304	4.1
223.13300	6.1
225.11281	100.0
226.11641	4.6
227.12912	2.9
235.08382	2.0
243.12360	18.7
253.09247	10.4
257.82489	1.4
272.81464	1.4
275.20145	7.7
278.21899	1.6
291.19608	16.5
292.20029	1.4
293.21240	86.3
294.21649	9.0
296.94229	1.3
319.47971	1.5
354.26318	1.3
443.19174	3.1
461.20251	20.8
462.20599	2.7
479.21014	1.5
621.64282	1.8
631.91754	1.4
737.40930	36.6
737.52686	2.1
738.40985	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	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.5
57.19860	1.6
59.01255	100.0
61.61909	1.7
68.62215	1.7
69.44424	6.6
69.44852	8.4
71.01255	51.1
72.99182	5.0
73.02828	10.8
75.00741	5.6
80.96401	3.3
83.01252	5.0
85.02827	22.5
87.00756	5.0
89.02326	28.6
95.01261	6.4
96.95874	7.6
97.02863	1.6
99.00742	3.6
101.02320	29.3
110.04327	1.8
113.02335	33.2
115.79453	2.1
119.03383	11.5
125.02297	3.2
131.03426	2.4
134.03635	4.2
135.02803	1.9
143.03429	6.2
149.05984	2.0
161.04495	9.2
179.05505	5.7
193.05026	8.0
267.07117	3.6
281.08191	2.3
339.12311	2.1
443.79462	1.8
445.24869	3.8
471.33292	6.1
472.33685	2.0
489.34088	5.1
517.19415	2.3
556.93304	2.1
633.38531	45.2
634.38867	7.3
651.39490	41.0
652.39832	6.4
693.40277	6.7
737.29956	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
57.60838	0.8
59.01256	8.8
61.98711	1.2
63.84557	0.7
64.92455	0.8
69.03348	4.0
71.01254	5.8
71.04885	3.2
71.15018	1.5
72.95255	0.7
72.99174	0.7
73.02811	1.8
78.95773	1.7
83.01282	0.8
83.04880	1.1
85.02818	1.8
87.00778	1.1
88.98672	1.6
89.02351	4.0
89.02853	0.8
97.02901	0.8
99.00732	0.9
101.02308	4.2
107.05645	0.7
109.06468	0.9
113.02325	3.0
119.03365	0.8
125.09612	2.6
151.11163	2.0
153.12769	1.8
161.04442	1.2
161.09605	3.2
165.12804	0.9
168.45793	0.8
169.12225	2.2
175.01817	0.7
179.10706	7.7
183.13852	1.9
197.11768	96.8
198.12148	4.5
205.08672	2.6
207.10278	0.9
209.11769	1.9
223.09734	3.1
235.08029	1.1
241.10800	6.8
241.14284	1.0
253.09326	5.3
277.21735	42.3
278.21997	3.9
279.23218	1.1
291.19907	1.0
293.21313	1.6
309.20752	1.5
416.50278	0.9
433.20508	0.9
459.18622	2.6
477.19894	4.1
513.18463	0.8
587.83722	0.9
662.99915	0.9
719.40625	1.3
737.41187	100.0
738.41583	20.1
738.53784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69147	1.9
55.01761	2.4
57.03329	4.6
58.00497	2.2
59.01252	100.0
60.01579	2.0
61.98705	2.5
69.94130	11.0
70.29325	1.9
71.01257	55.2
72.99170	6.3
73.02819	11.4
73.48271	1.8
75.00729	2.3
75.30777	2.1
76.79673	1.6
79.66515	2.0
80.48724	1.9
80.96390	2.0
82.20477	1.7
83.01272	4.3
85.02837	22.2
87.00739	3.3
88.98667	4.5
89.02319	30.2
94.49107	1.8
95.01280	7.1
96.95905	5.1
99.00755	4.3
101.02326	30.4
103.04975	1.8
111.00755	3.3
111.35427	2.2
113.02336	35.6
116.63264	2.0
117.19763	1.9
119.03381	15.8
123.00774	1.6
125.02303	3.3
131.03279	2.4
133.06461	3.8
137.09598	1.9
140.07106	1.9
143.03397	3.9
149.04398	2.2
161.04486	7.3
179.05511	4.7
179.47952	2.4
181.08594	2.7
197.11824	3.0
240.12390	1.9
241.10831	3.0
257.67221	2.3
338.20575	1.9
469.17038	2.8
471.33087	5.2
489.34454	3.0
633.38611	44.1
634.39050	7.7
651.39606	50.0
652.39862	7.9
693.27228	7.2
693.40369	6.9
737.31152	3.1
738.31494	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	737.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02303	0.8
59.01260	5.3
61.98717	0.8
63.96117	1.3
69.03313	1.0
70.55231	1.5
70.55582	2.0
71.01257	12.4
71.39406	0.7
73.02824	2.8
74.46442	0.7
78.95783	1.7
78.98477	6.8
79.95612	17.0
80.96396	90.0
81.03307	0.9
85.02820	3.9
87.00757	3.6
89.02346	0.9
94.97971	16.8
96.95894	58.1
96.96880	1.8
97.02829	2.0
99.00740	1.4
101.02314	4.7
106.97990	4.1
113.02325	0.9
117.82066	0.7
121.02856	1.1
122.97465	5.2
125.02332	4.6
134.97478	6.2
136.99052	2.5
148.99074	7.3
152.98564	6.8
164.98564	17.3
165.12834	1.3
183.13858	8.7
186.48993	0.7
206.99612	3.0
225.00699	25.9
263.59705	0.9
285.58551	0.7
337.34021	0.8
343.67300	0.8
395.42947	1.0
433.15656	0.9
509.17081	4.0
589.31042	0.8
720.08386	0.9
737.30634	100.0
738.30786	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	737.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01243	2.3
60.99179	17.7
71.01256	2.7
71.57787	0.5
71.58183	0.7
75.00744	3.1
79.95602	4.2
80.96387	7.0
83.04911	0.6
85.02823	4.1
87.00740	1.0
88.98680	100.0
94.97959	1.7
96.95886	1.1
99.00777	0.8
111.40319	0.6
113.02306	3.0
136.56790	0.5
148.99109	1.1
149.39221	0.6
164.98483	1.2
190.13676	0.6
222.11545	0.6
225.00726	1.9
226.78923	0.5
471.34811	2.0
607.28033	1.1
647.37976	26.6
648.38147	3.8
665.28479	2.0
677.35187	0.9
677.49756	2.4
677.84460	1.0
707.85785	0.8
737.30170	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	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39856	0.6
54.56364	0.5
57.03333	0.7
59.01251	6.5
69.03331	2.0
71.01259	4.8
71.04880	0.8
73.02843	1.0
80.46725	0.4
85.02827	1.2
85.06471	0.7
87.00771	1.4
89.02322	3.6
90.16968	0.5
91.68988	0.5
95.01258	0.6
97.06506	0.6
101.02328	4.2
109.06511	0.7
111.08082	0.9
113.02347	2.0
115.62502	0.5
119.03396	0.7
125.09634	0.5
131.03426	0.6
145.04961	0.6
149.09685	0.9
161.04468	1.9
167.10742	4.5
177.12816	1.0
179.05551	0.7
179.10689	1.6
179.14378	3.6
195.13847	16.1
196.14185	0.7
205.12273	10.2
206.12804	0.6
211.13345	0.8
214.97081	0.5
223.13348	100.0
224.13672	6.3
225.12700	0.5
225.14827	0.8
235.08174	4.8
239.12909	1.2
253.09256	19.0
254.09541	0.7
256.13110	1.2
265.21829	0.7
275.20102	6.7
277.21860	1.2
291.19751	0.7
293.21219	84.5
294.21548	7.5
314.26590	0.5
317.67169	0.6
335.53726	0.6
397.13626	0.7
441.21109	0.8
459.22348	9.0
460.22665	1.0
529.30090	1.1
735.41071	0.7
736.44427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32219	0.7
59.01255	2.1
63.96104	2.3
69.03342	0.9
71.01255	8.5
72.99163	0.8
73.02818	2.4
78.24074	0.6
78.98466	8.4
79.95606	14.8
80.96393	87.1
81.03313	0.8
83.01252	0.8
85.02828	2.4
87.00768	3.7
94.97964	20.0
96.95895	18.8
97.02840	2.4
98.20582	1.5
98.46443	0.7
99.12038	0.7
101.02298	3.4
106.97966	3.8
122.97456	4.2
125.02309	3.6
127.03912	1.2
134.97495	5.4
136.98976	1.5
148.99036	7.7
152.98553	7.9
161.06880	0.7
164.98557	15.9
165.12762	0.9
167.00017	0.9
183.13853	7.8
201.06804	0.6
206.99628	4.1
216.34352	0.6
225.00711	30.4
227.12746	0.8
253.88246	0.6
256.60696	0.6
363.02704	0.7
509.17105	3.3
548.92816	0.7
693.32080	0.9
737.30603	100.0
738.30890	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	735.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41103	0.3
53.58109	0.3
56.28315	0.3
57.03321	0.8
57.86616	0.3
59.01255	7.0
69.03326	2.4
70.06924	1.4
71.01255	4.5
71.04886	0.8
73.02822	1.1
78.95750	0.5
85.02849	1.1
85.06507	0.7
87.00769	0.8
89.02313	3.6
93.03320	0.5
95.01276	0.4
95.04887	0.5
101.02327	3.8
111.08058	0.6
113.02323	2.4
119.03391	1.2
120.37917	0.3
125.02317	0.4
135.11699	0.4
148.58998	0.3
149.09637	0.6
161.04491	2.2
167.10677	3.3
171.10187	0.6
172.41483	0.3
177.12762	1.0
179.05482	0.4
179.10687	1.3
179.14340	4.0
180.11063	0.3
195.13850	17.4
196.14272	1.3
205.12291	9.4
205.15529	0.4
206.12582	0.5
211.13326	0.9
223.13361	100.0
224.13724	6.1
225.14993	0.5
228.13705	0.4
231.21173	0.4
235.08188	3.3
239.12862	0.5
253.09274	18.0
254.09645	0.6
256.13196	1.1
275.20163	6.2
277.21671	1.1
281.33893	0.4
289.18015	0.4
293.21237	88.6
294.21576	7.1
325.34320	0.4
397.13556	0.5
459.22351	7.7
460.22559	1.1
492.21445	0.5
499.34018	0.7
529.30115	0.8
735.43890	0.6
766.70593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4318
Annotation	Nonactin
Peak:m/z	Relative Intensity
52.78652	1.6
53.46326	1.5
56.26223	1.6
57.03278	2.2
59.01258	17.8
61.03399	1.5
71.01241	7.6
71.57544	2.9
78.95794	4.7
87.00745	2.2
89.02295	3.1
97.06464	1.8
101.02315	7.0
113.02322	4.6
115.00362	1.7
119.04662	1.5
120.37470	1.8
121.10052	1.7
125.02214	2.0
161.04443	2.2
177.12788	24.1
195.13844	71.3
196.14186	3.4
199.11940	1.5
221.11786	6.4
235.08229	5.1
239.12885	10.2
253.09186	7.1
255.23160	2.2
275.54999	1.7
277.21729	100.0
278.22055	6.8
455.35876	2.4
457.21164	3.0
475.21625	4.8
556.56439	1.8
735.43274	91.9
736.43353	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	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89892	1.5
55.01782	1.9
55.16662	1.9
57.03318	3.0
58.00457	2.5
59.01251	100.0
61.98696	3.4
62.88380	1.8
68.08582	1.6
71.01256	51.0
71.58146	2.8
72.99190	6.2
73.02824	12.4
75.00748	4.9
83.01263	5.9
83.65213	1.6
85.02821	19.4
87.00763	4.7
87.17453	1.7
89.02322	39.9
95.01256	6.4
96.95892	7.4
97.02853	2.1
99.00749	3.9
101.02312	27.2
108.87899	1.7
113.02324	29.7
119.03356	11.8
125.02299	1.8
143.03452	4.3
161.04449	10.7
179.05476	9.4
253.09120	2.8
267.07233	4.6
309.20715	4.5
360.39102	1.8
373.21964	1.8
406.40497	1.8
433.59476	1.9
469.31830	4.7
590.53888	2.4
631.36847	38.3
632.37427	5.1
649.38013	42.0
650.38458	7.4
684.83081	2.0
691.38562	8.1
735.31378	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	735.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.0
58.00476	1.7
59.01251	100.0
66.33826	1.4
69.78815	9.6
71.01253	45.7
72.99152	2.6
73.02814	8.0
83.01270	5.6
85.02824	17.5
87.00737	3.5
89.02322	28.3
95.01255	5.2
96.95917	3.9
97.02815	3.5
98.19912	1.6
99.00771	2.5
101.02326	25.5
113.02337	34.5
119.03400	11.5
125.02372	4.8
131.03378	2.0
143.03423	4.6
161.04480	8.4
179.05577	6.7
229.14194	1.5
279.17673	1.5
294.33508	1.5
306.31522	1.5
337.45834	1.4
377.68481	1.4
435.35397	1.3
469.31726	3.4
477.87067	1.7
527.28986	3.1
545.29529	13.6
563.30701	4.3
605.31976	1.8
631.36975	32.5
632.36884	4.6
647.00500	1.6
649.37885	35.4
650.38525	6.8
691.39069	8.4
692.38446	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	46.9
71.01254	31.0
82.74170	7.9
82.78908	8.0
87.00742	11.6
89.02327	26.3
98.18753	9.1
98.20588	15.5
101.02296	18.9
113.02340	14.8
140.05495	7.3
141.57333	7.9
180.15932	8.9
235.08168	9.8
277.21753	100.0
281.91867	8.7
397.13531	89.6
403.94385	8.9
415.14392	41.3
480.85602	10.9
550.06219	9.2
577.62897	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	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	2.1
59.01255	53.9
66.98698	2.2
71.01256	38.1
71.05524	2.8
71.05876	4.5
73.02832	6.4
83.01265	4.0
85.02831	5.9
87.00769	7.3
88.74811	1.8
89.02322	35.5
94.99006	2.1
95.01283	4.3
97.02805	4.7
101.02334	27.8
113.02345	15.1
119.03416	6.1
125.02351	12.3
125.03126	2.0
127.03180	2.0
127.07789	2.5
143.03412	5.1
143.47572	2.1
161.04501	6.3
179.05496	6.5
235.08154	12.2
253.09409	2.9
269.98898	1.9
277.21722	100.0
278.22031	5.0
287.07843	2.2
305.08963	4.5
347.08377	2.1
379.13016	2.2
397.13516	81.3
398.13748	5.1
415.14548	27.8
416.14972	2.6
431.84521	2.2
468.26721	2.1
518.21625	2.0
548.40167	2.2
634.96191	2.4
668.12860	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	735.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.2
60.99180	14.9
61.98703	1.9
71.01269	1.5
71.58091	0.6
75.00760	0.8
82.13702	0.5
82.93912	0.4
85.02843	1.0
88.98682	100.0
89.99003	1.1
96.95899	0.7
111.14146	0.5
113.02335	1.1
113.56708	0.5
122.41623	0.4
127.44993	0.5
140.14941	0.5
142.23206	0.6
147.19125	0.6
149.78731	0.5
171.10239	0.7
199.64752	0.5
207.10211	0.5
211.13269	0.8
225.11215	0.5
230.15057	0.7
239.46973	0.5
256.86627	0.6
291.19775	0.9
504.02637	0.6
645.36389	1.5
646.35645	0.7
735.39752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86930	5.7
59.01254	22.2
61.98708	100.0
71.01265	10.3
71.57620	5.4
71.57973	9.1
87.57960	5.9
89.02319	9.8
101.02355	13.1
113.02318	10.5
127.93849	5.0
133.06213	6.1
171.10220	18.8
182.80388	5.4
209.11855	10.0
211.13429	35.5
212.13693	11.8
235.08247	8.1
253.24239	5.7
277.21860	15.6
291.19370	6.2
309.20541	8.6
375.64096	6.2
397.13541	17.6
415.14532	8.2
614.17651	6.7
735.43103	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	731.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71613	0.9
69.72034	1.5
74.06970	0.4
84.79868	0.4
84.90401	0.5
88.12504	0.4
93.03330	0.8
98.20504	0.4
119.04918	96.7
120.05253	3.9
152.03667	0.4
161.62051	0.3
163.03923	100.0
164.04262	4.3
186.88690	0.4
325.09280	11.0
326.09680	1.1
639.91388	0.5
656.42810	0.4
669.13007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12175	1.0
51.61327	1.0
57.03310	2.3
58.00488	1.5
59.01253	100.0
60.01577	1.5
61.98694	4.0
69.03319	1.4
70.71915	2.8
71.01257	43.4
72.99174	3.1
73.02823	16.2
75.00755	2.6
81.65466	1.2
83.01252	5.1
85.02829	16.2
87.00749	3.2
89.02327	19.5
95.01270	5.1
96.95893	7.1
97.02789	1.2
99.00755	3.2
101.02325	22.0
113.02335	37.2
114.02684	1.6
115.16279	1.1
117.01846	1.3
119.03413	7.7
121.02883	1.8
123.73692	1.1
124.01534	2.8
125.02333	6.9
131.03401	2.1
131.96231	1.4
132.02048	1.6
134.03650	1.6
135.04445	1.1
143.03368	5.4
149.04411	1.4
151.03944	1.3
160.01578	3.5
161.04439	5.4
163.05925	1.5
165.05476	1.1
175.03915	4.0
179.05594	6.3
188.53479	1.1
193.04916	2.2
204.30144	1.3
255.02802	1.4
285.03918	1.3
335.12552	1.8
402.42523	1.1
507.25436	1.5
525.27136	11.4
543.28094	37.4
544.28351	3.8
561.29028	12.2
562.29852	1.9
585.29248	4.1
603.29980	5.3
733.32739	4.7
733.83594	3.6
755.47449	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	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93110	0.3
59.01257	2.4
61.98703	100.0
78.95830	0.3
98.20543	1.1
119.53107	0.3
171.10187	6.0
171.11623	0.4
172.10551	3.6
173.10802	1.1
253.09224	0.5
255.09665	0.4
270.44409	0.3
277.21738	4.5
278.22073	5.2
279.22366	2.8
280.22775	1.0
371.90323	0.4
421.64432	0.3
680.59296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.5
60.01564	0.5
61.98703	100.0
71.56714	0.5
79.69704	0.3
80.96379	0.7
85.25876	0.3
101.02314	0.3
143.14499	0.3
171.10185	9.8
172.10522	5.9
173.10681	2.7
174.11017	0.5
253.09186	0.5
277.21683	3.8
278.22098	4.5
279.22354	2.3
280.22769	0.5
319.42166	0.3
323.37231	0.3
731.38257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14503	1.6
70.14885	2.7
71.01258	1.6
72.99187	1.8
78.95779	1.2
79.95615	2.9
81.95161	1.0
85.02856	0.8
87.00755	0.7
96.17178	0.8
96.95893	89.3
97.95827	2.7
98.95473	41.8
98.96302	6.0
99.92463	32.0
100.92494	1.1
100.93196	1.2
115.91119	1.3
115.91968	40.5
116.92748	100.0
117.92780	4.4
141.93512	1.1
142.94337	2.5
143.95058	0.8
149.07718	0.9
170.93800	3.1
176.49933	0.8
184.95421	4.6
204.70145	0.8
212.94942	1.3
232.28250	0.7
256.93860	3.6
274.95087	1.0
317.02042	0.8
631.39142	1.2
633.39282	1.2
713.29865	1.0
714.29681	0.9
731.31000	47.7
732.31366	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	729.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.2
61.98691	0.2
69.45919	1.5
71.01249	0.5
75.00748	1.2
78.21306	0.2
78.95773	0.5
79.95609	3.2
79.96045	0.3
85.02822	1.0
88.49740	0.2
96.95891	100.0
97.92986	0.2
97.95824	0.3
113.02361	0.5
114.93301	0.4
117.70776	0.2
207.72939	0.2
253.88498	0.2
302.13651	0.2
557.75275	0.2
631.38458	3.5
632.38904	0.7
729.29907	0.2
729.38770	0.3
756.86517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62877	0.7
53.38439	0.7
55.01758	0.9
57.03316	3.3
59.01259	5.3
70.88931	1.8
71.01269	6.3
72.99189	3.2
73.02812	1.1
75.00754	19.9
79.95612	0.8
80.91558	2.0
85.02831	22.3
86.03164	0.8
87.00761	2.9
88.90086	0.9
89.02317	1.0
95.01278	1.4
99.00766	3.2
112.01569	1.1
113.02335	15.8
114.67085	0.8
115.00259	0.9
117.73579	0.8
129.01848	1.0
157.01405	2.0
171.10216	1.3
175.02451	0.9
201.11214	1.3
392.73581	0.8
439.31924	1.5
471.35022	9.3
476.53992	0.9
571.36841	1.1
647.38013	100.0
648.27515	1.6
648.38385	21.5
669.35901	9.7
670.36304	2.1
729.38361	7.8
730.38849	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	729.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09955	0.9
57.03336	5.7
57.03563	0.9
59.01256	7.9
61.98710	1.2
71.01254	9.8
71.49525	1.1
71.49867	1.6
72.99169	4.5
75.00747	21.4
80.65025	1.0
80.91568	2.6
83.01281	2.0
85.02831	25.0
87.00758	3.4
89.02333	2.1
93.73795	1.0
95.01285	2.8
96.95918	1.8
99.00770	3.7
101.02317	1.8
111.08056	1.2
112.01566	1.0
113.02335	15.0
114.14988	1.1
115.00291	1.5
117.01850	1.5
125.09654	2.1
153.87907	1.1
157.01367	1.7
185.11867	1.0
187.09711	1.2
197.11797	2.6
201.11266	15.0
211.13475	1.0
237.15321	1.1
253.09219	4.1
260.31653	1.1
265.34506	1.0
291.19525	1.5
295.22601	1.7
309.20624	4.4
353.18936	1.1
482.27753	1.2
597.60712	1.1
603.39209	4.9
604.38910	1.5
647.37988	100.0
648.38263	19.5
669.35199	6.1
670.34833	1.6
708.77771	1.3
729.38000	9.4
730.38080	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	729.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06413	0.3
75.00744	0.4
75.08848	0.2
78.95776	0.6
79.95609	3.4
85.02825	0.4
91.81978	0.2
96.95890	100.0
113.02374	0.2
113.92518	0.3
114.93298	0.4
118.39200	0.2
225.62334	0.2
233.43849	0.2
276.57275	0.2
287.00378	0.2
350.83368	0.2
605.83075	0.2
631.38733	1.8
632.39105	0.3
640.59375	0.2
669.33716	0.2
729.31116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77147	5.7
56.87799	5.3
59.01250	100.0
61.98693	9.0
70.67742	15.0
71.01263	28.4
72.63083	6.9
72.99165	6.5
73.02811	9.0
74.93715	6.0
85.02836	10.2
87.00779	9.4
96.95874	9.9
99.00691	6.4
101.02329	14.4
106.06515	9.2
113.02321	12.7
120.08083	24.1
122.06020	39.5
132.54268	6.0
134.06021	41.6
145.02817	9.2
161.04335	5.8
176.59424	5.5
185.11734	8.2
207.03256	6.5
223.13412	7.4
238.10736	6.4
251.11935	7.4
263.08420	9.3
264.08981	11.5
265.09973	9.0
277.09879	12.1
279.11450	29.5
289.39938	6.3
291.11557	7.9
305.09515	7.9
340.46243	6.8
344.61475	6.9
384.17300	9.2
444.19724	8.3
486.20694	13.9
530.19299	33.5
531.19580	16.0
549.25018	9.2
562.22003	45.1
563.22717	12.4
593.23975	14.3
609.27216	30.5
653.26166	84.0
654.26483	15.3
685.29376	24.2
729.24579	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	729.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.7
60.99181	19.1
65.48827	0.7
70.65112	0.6
70.88406	0.6
71.01244	2.2
72.99161	0.7
75.00733	0.6
87.00760	2.6
88.00285	3.1
88.98682	100.0
89.02319	15.5
96.95892	1.7
117.06865	0.6
122.06027	1.1
134.03639	1.9
134.06021	2.5
146.24474	0.6
171.10211	1.0
177.99173	0.7
193.04993	2.3
201.11261	2.9
211.13524	1.0
230.27089	0.8
241.13374	1.7
253.09315	1.2
306.79102	0.8
331.96268	0.8
360.17365	1.1
396.58594	0.8
397.13644	1.0
402.18362	1.0
549.24817	0.9
567.26270	1.3
609.26483	3.3
653.26318	3.4
729.33746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52737	1.6
55.60440	1.6
59.01254	69.6
69.25668	8.3
69.26090	10.3
74.38224	1.6
94.06502	1.8
98.19819	3.0
106.06516	12.0
107.03651	5.8
108.08095	1.6
120.08075	32.0
122.05120	3.2
122.06012	63.7
125.41148	1.7
132.04483	2.4
134.06017	67.5
136.07527	1.9
138.84291	1.8
152.07069	6.3
152.31137	1.8
160.59282	1.6
174.05447	1.8
190.04979	2.2
194.08092	2.8
221.10846	2.8
223.08736	6.6
224.09471	4.7
225.10316	4.7
227.11792	2.9
235.08755	3.9
236.09540	5.5
237.10310	9.3
238.11084	4.7
239.11768	7.8
249.06699	2.2
249.10321	10.5
250.10986	2.8
251.08165	3.7
251.11856	19.0
252.12604	1.8
262.07666	1.9
263.08261	9.6
263.11829	4.5
264.09039	12.9
264.11816	2.0
265.09631	7.5
271.10605	1.8
276.09070	4.0
277.09860	14.5
278.10492	8.3
278.95663	1.6
279.11395	52.1
280.11993	7.7
281.12970	2.2
287.13913	3.3
290.10577	3.8
291.11475	17.0
292.12131	6.5
293.09106	2.1
295.10925	4.2
305.09268	6.7
305.12936	8.0
307.10843	4.2
322.10025	2.0
323.10324	7.1
324.11014	3.8
337.11868	3.6
342.16138	2.0
355.12863	3.2
356.17783	3.2
358.18924	2.2
370.15607	6.5
371.16449	3.5
382.19214	2.5
384.17233	18.0
385.17712	6.2
386.18900	12.3
397.13922	2.6
398.18942	4.3
402.18335	2.7
409.65759	1.7
411.15817	2.4
412.16678	4.8
424.15958	1.9
426.18152	21.1
427.19025	3.7
430.17770	5.8
444.19263	13.5
458.21164	2.3
470.17249	3.5
471.17996	5.8
486.20453	15.7
487.20850	4.9
489.19263	2.3
490.19827	6.5
502.19803	6.4
503.20023	2.3
530.19348	44.1
531.20087	26.7
532.20496	3.4
549.25238	9.8
550.25232	2.4
562.21942	61.6
563.14215	2.8
563.22290	13.3
567.26105	5.8
593.24255	17.7
594.23785	2.5
609.27130	31.3
610.27277	4.8
625.26202	2.8
653.26129	100.0
654.26440	19.5
685.28735	24.8
686.28851	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	729.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	65.3
65.00213	1.8
71.01264	10.6
73.02824	3.3
75.00752	2.9
80.04929	2.1
85.02829	6.8
89.02318	4.4
96.95899	3.6
97.02831	2.8
98.20480	4.6
99.00771	2.1
101.02332	5.7
105.05753	2.3
106.06522	8.2
107.03674	2.7
111.44439	1.7
113.02332	7.0
120.08094	28.9
122.06010	47.8
122.97511	1.8
125.02258	1.9
134.05014	2.5
134.06021	46.2
139.11206	1.8
152.07092	6.2
161.04498	2.1
165.01799	4.3
178.22972	1.8
183.13887	3.4
190.05000	3.3
194.08270	2.7
221.11006	1.6
223.08813	5.8
235.08656	2.7
235.12462	1.9
236.09541	2.7
237.06409	2.1
237.10368	7.1
238.11111	2.6
239.11819	5.2
249.06552	2.1
249.10327	7.0
251.08234	4.4
251.11935	11.2
263.08240	6.5
264.09100	8.2
265.09735	6.5
271.10962	2.8
277.01706	2.2
277.09848	13.0
278.10580	5.6
279.11386	31.5
280.12149	6.2
287.13892	3.7
291.11359	12.3
292.12183	5.3
295.10883	3.1
305.09241	7.1
305.12845	4.2
307.10779	4.1
321.08899	1.9
323.10220	3.8
324.11148	2.4
337.12042	4.1
355.12970	4.6
356.13904	2.4
356.18069	2.0
360.17282	2.1
365.11639	2.3
370.15543	5.4
371.16122	2.5
384.17154	10.6
385.17963	3.9
386.18716	3.3
398.14725	3.1
398.19257	3.1
399.19995	2.6
402.18488	3.0
412.16858	2.4
424.17172	2.2
426.18140	13.7
427.19006	4.1
430.17596	6.1
444.19058	5.0
470.17331	3.6
471.17987	5.9
472.18661	2.1
486.20331	9.9
487.20886	2.3
490.19876	4.4
502.19437	4.7
503.20648	2.9
530.19305	27.3
531.20123	26.7
532.20636	2.0
549.24908	8.2
562.21954	20.9
563.22504	5.2
567.26007	3.4
593.24200	14.2
609.27179	31.7
610.27814	5.0
625.27216	2.6
647.37939	8.9
653.26154	100.0
654.26282	20.2
685.28607	26.9
685.40234	2.8
686.29248	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06026	0.6
57.81974	0.7
59.01251	42.6
71.01254	3.8
73.02831	1.3
85.02837	1.1
87.00768	0.7
89.02319	3.2
101.02333	3.6
106.45464	0.7
113.02314	2.0
119.03402	0.6
127.11186	2.0
137.48027	0.6
151.11205	4.7
153.09105	0.9
160.66516	0.8
161.04474	1.8
169.12267	36.9
170.12605	1.9
171.10182	100.0
172.10544	3.8
213.11275	4.2
217.57370	0.6
231.12350	3.0
235.08194	1.7
253.09329	5.6
277.21732	36.1
278.22137	3.6
339.95688	0.7
407.19269	2.6
449.20303	2.0
467.21295	4.2
556.88251	0.8
564.19354	0.7
709.41449	5.9
727.42737	95.1
728.43036	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19590	1.0
54.82571	1.1
57.45721	0.9
59.01252	50.8
70.86502	1.8
70.86844	2.4
71.01267	6.5
74.23084	1.0
84.95000	1.3
85.02830	1.4
87.00739	1.2
89.02306	3.2
101.02359	5.2
113.02308	2.1
119.03392	1.3
125.09683	1.5
127.11217	1.4
143.34363	1.0
151.11183	4.2
152.03365	1.3
163.80101	1.1
169.12262	34.0
170.12601	2.1
171.10182	56.2
172.10548	2.1
182.01491	1.0
208.54584	1.0
213.11313	2.8
231.12395	1.6
235.08131	1.4
253.09268	4.1
277.21729	77.7
278.22147	8.1
352.28534	1.2
397.13254	1.4
449.20416	1.5
467.21576	2.0
482.15277	1.5
556.18964	2.3
593.82239	1.3
642.22101	1.5
675.22815	1.5
709.41974	7.8
710.41571	1.3
727.42761	100.0
728.43097	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	727.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03318	4.8
59.01253	6.3
59.76588	1.1
67.01792	0.9
68.99672	1.0
71.01257	9.1
72.99170	3.7
75.00748	23.5
76.06010	1.0
78.33212	1.0
80.91559	3.5
83.01250	1.8
84.02032	1.3
84.11497	1.0
85.02827	25.0
87.00739	3.0
95.01227	2.2
96.95885	1.6
98.20555	2.4
99.00737	3.3
101.02329	1.0
101.93678	0.9
111.00755	2.2
113.02332	18.6
117.01835	1.2
127.27514	1.0
129.01846	1.1
134.03648	4.9
149.05905	1.1
150.47093	1.0
157.01317	1.1
171.10161	3.2
175.02382	1.2
178.02684	1.4
193.05016	6.2
201.11279	2.2
211.13329	2.2
239.12714	0.9
253.09164	1.6
351.23340	0.9
439.32159	1.3
451.32272	2.7
469.33191	11.3
470.33533	1.6
569.34937	2.1
645.36420	100.0
646.36841	17.4
667.34595	10.3
668.35175	2.8
727.36902	19.9
728.36841	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78104	2.6
56.22194	2.5
59.01251	30.8
61.98703	4.2
62.31164	2.7
64.77382	2.4
69.25791	2.4
71.01268	6.0
71.58288	4.0
73.02828	3.5
78.91747	13.2
85.02802	4.2
88.98680	14.9
89.02307	4.5
96.95884	7.6
101.02329	4.5
131.04413	2.7
134.03654	5.0
149.05978	5.5
150.06789	57.4
162.06816	5.2
163.07564	43.2
164.08289	3.9
171.10240	3.9
177.09093	5.0
179.10663	13.2
181.51691	2.8
193.05136	3.5
199.09769	4.7
209.11800	3.4
211.13307	5.2
237.77991	2.6
309.20667	3.4
317.78705	2.7
455.72397	2.5
464.34723	14.0
478.36639	53.6
479.37399	100.0
480.37704	15.9
521.38550	6.5
623.41980	7.5
647.37579	8.1
683.43939	24.0
684.44324	3.9
732.42987	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	727.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50253	0.7
55.93232	0.7
57.03323	3.8
58.00449	0.7
59.01249	17.5
63.61609	0.8
67.01751	0.9
68.12049	0.7
68.99678	1.5
69.03325	1.6
70.46600	0.7
71.01250	25.0
71.80430	0.8
72.99181	7.6
73.02816	2.6
75.00356	1.2
75.00745	16.5
83.01209	1.4
85.02821	23.2
87.00747	7.1
89.02322	4.0
95.01250	5.6
98.19845	2.1
99.00753	12.0
101.02323	2.4
103.00244	2.0
111.08009	1.5
113.02328	21.8
115.00235	2.6
117.01784	2.3
117.07168	0.8
129.01826	1.7
131.03407	1.1
134.64719	0.9
157.01421	1.1
165.05492	0.8
165.11348	1.2
165.12755	17.0
175.02391	2.1
183.13829	44.5
184.14140	2.5
191.10683	1.1
195.06573	1.2
205.07196	1.1
209.11763	2.2
227.12810	4.1
231.04971	1.0
249.06107	7.9
267.07211	17.6
268.07465	1.0
284.03006	0.7
298.87051	0.8
307.19147	1.0
333.27856	1.0
415.19672	7.3
416.19595	1.0
459.18207	1.1
477.19632	1.6
551.23517	9.7
665.25867	2.0
709.25897	2.9
727.26599	100.0
728.26935	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	727.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34047	4.9
59.01258	60.8
69.41877	44.0
69.60897	6.8
80.04919	7.7
89.02319	7.8
95.14237	5.2
98.19788	8.5
106.06478	11.3
122.05991	26.1
134.05998	47.5
138.01813	6.2
143.22806	5.1
160.06247	10.6
194.88484	5.8
195.13837	6.2
213.10258	56.8
223.08626	7.4
239.11893	31.7
241.13480	24.3
242.13837	6.8
251.11876	6.9
265.99121	7.3
277.09628	14.7
285.12430	97.6
293.12848	8.5
293.21240	98.6
294.21402	8.6
343.12930	10.4
355.13071	6.5
357.14941	10.4
358.15524	26.4
365.11407	13.8
367.12936	7.2
397.13660	43.4
400.16495	14.0
415.14600	40.8
547.23523	26.3
565.24414	11.6
591.22064	14.8
607.25629	84.7
608.25781	16.5
651.24609	100.0
652.24768	22.3
683.27075	9.7
727.32770	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.4
61.98704	0.9
70.53818	2.6
71.01245	4.6
72.99164	0.9
73.02823	1.5
73.92716	0.8
74.68245	0.7
78.95786	7.8
78.98485	1.2
79.95614	1.9
80.96396	12.2
82.56435	0.7
85.02824	1.8
86.19794	0.7
87.00767	1.7
87.96478	0.7
89.02319	2.7
90.03896	0.7
94.97971	3.5
96.96847	2.2
97.06466	0.7
101.02334	4.6
111.08068	1.0
113.02337	1.5
119.03395	0.8
125.12586	0.7
148.99100	1.0
152.98430	1.0
152.99530	1.2
161.04498	1.1
164.98534	3.4
165.12752	8.1
171.10193	6.7
183.13835	57.2
184.14217	3.3
206.99518	0.7
209.11870	3.3
222.99956	1.0
225.00658	3.9
227.12857	4.2
235.08163	2.7
241.01138	2.5
253.09233	5.6
255.23221	5.6
273.63129	0.8
279.23303	100.0
280.23654	6.9
332.01535	0.8
387.17294	0.8
445.20880	1.8
463.21704	1.3
725.44568	49.1
726.47083	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	727.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43919	5.1
53.61310	4.7
57.03328	11.4
59.01247	42.6
63.74772	5.8
69.03316	11.3
71.01251	22.2
71.56674	9.5
73.02821	13.4
82.50388	5.1
85.02828	96.9
87.00755	100.0
93.03339	7.7
95.01274	21.4
97.02828	34.9
100.53794	4.9
103.03883	7.4
109.02816	8.9
111.00771	14.1
113.02329	18.3
115.00222	9.2
127.03895	17.0
135.00072	5.6
139.00287	20.5
145.05031	7.3
154.93236	5.2
157.01299	8.0
174.79973	6.4
175.02399	61.9
191.01935	9.2
199.02403	47.2
210.11394	5.4
211.10777	12.0
217.03488	29.9
246.54503	6.3
303.07190	15.3
321.08249	8.7
345.08316	10.9
385.12241	11.5
387.09253	26.6
472.31937	5.2
623.14496	12.9
709.17780	11.3
727.19409	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	727.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	57.9
62.98517	2.0
64.58339	1.7
66.41817	2.3
70.55039	4.1
71.01237	3.0
80.04926	5.4
85.02843	1.8
96.95900	2.4
106.06532	8.1
113.02388	2.3
120.08080	3.4
121.05234	3.3
122.06026	24.7
132.04474	3.0
134.06026	45.4
152.07034	3.3
160.03981	3.9
160.06284	10.8
161.02263	2.9
161.04707	1.9
165.12772	2.5
174.05495	6.2
190.05092	4.4
197.07135	2.6
213.10280	47.8
225.10193	4.6
226.11064	4.6
227.11786	7.0
239.11909	21.0
241.13464	24.0
242.13820	2.4
249.10387	2.1
251.11853	6.4
253.13629	2.2
267.11313	2.4
274.34244	2.3
277.09845	10.3
278.10660	2.0
279.11386	2.9
285.12466	100.0
286.12927	4.2
293.09790	2.2
293.12952	12.3
293.21326	4.5
295.10925	4.4
305.09332	7.6
307.10950	5.3
316.14319	2.5
328.10861	3.1
337.11908	6.6
340.14386	2.5
342.12338	3.7
343.13110	4.6
344.14136	3.6
355.13153	5.9
356.13956	4.5
357.14856	4.3
358.15616	24.8
365.11337	11.9
367.12808	2.4
369.14700	3.3
370.15820	3.1
383.12451	2.8
384.13489	7.0
397.13950	12.6
398.14664	2.8
400.16644	21.5
401.16818	2.5
412.16788	7.0
477.19742	2.3
491.20981	4.6
503.23621	2.0
505.22437	2.9
523.29132	2.6
539.26410	2.8
547.23431	26.3
548.24414	2.5
565.24530	17.8
566.24719	3.2
591.22687	15.1
592.22833	2.5
607.25653	88.6
608.25903	10.7
610.24335	2.6
651.24640	89.5
652.25439	12.2
683.27142	12.7
727.33374	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03325	3.2
58.00472	0.9
59.01247	6.1
61.98696	2.4
63.20791	0.5
69.03350	0.6
71.01253	4.7
75.00739	2.1
78.95778	1.1
83.01254	0.7
83.04909	0.6
85.02820	1.4
87.00742	0.9
89.02321	3.2
97.02812	0.6
97.06470	1.5
98.00012	0.6
98.19815	1.2
101.02336	4.1
110.21097	0.5
113.02328	2.4
119.03388	1.2
125.09609	3.1
131.03386	0.6
135.01913	0.5
139.11194	2.0
141.12741	2.0
152.99500	0.6
161.04445	1.1
165.93933	0.6
167.10687	3.9
171.10133	3.4
185.11757	100.0
186.12091	5.7
197.11829	0.8
201.11230	1.2
209.11765	4.7
211.09692	1.8
211.13293	2.5
227.12851	0.6
229.10793	2.9
229.31134	0.8
235.08255	1.7
253.09250	5.2
277.21719	31.6
278.22156	4.6
279.23306	3.1
295.22842	1.2
370.45233	0.6
399.68033	0.7
447.18533	0.8
465.19589	3.2
466.20099	0.7
707.39246	1.0
725.41119	65.2
726.41382	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	725.4478
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
56.87426	1.1
59.01258	5.7
61.46824	1.2
70.20488	1.1
71.01242	5.2
71.05595	3.0
73.02813	1.5
78.95775	19.2
79.95585	1.5
80.96393	11.2
84.99782	1.2
85.02809	1.5
89.02327	2.8
94.97932	2.4
96.30099	1.2
96.96854	2.7
101.02307	2.8
119.03391	1.2
130.78636	1.2
136.50815	1.2
152.99503	7.8
165.12766	6.4
171.10168	14.1
183.13828	100.0
184.14178	4.5
197.13322	1.3
209.11699	2.2
223.00047	2.1
225.00603	4.0
227.12930	6.5
232.25929	1.1
235.08098	2.8
241.01118	5.9
253.09248	4.6
255.23270	10.9
279.23282	41.8
280.23636	4.9
281.24985	1.5
295.22763	1.6
342.11380	1.2
391.22690	2.7
445.20966	2.0
463.21786	4.9
464.04950	1.3
576.67157	1.4
682.29138	1.5
700.06952	1.4
725.44641	40.4
726.39575	4.7
726.45099	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	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.0
59.01253	7.8
61.98690	1.5
62.95076	1.0
64.29397	0.8
67.69290	0.8
69.03340	1.2
71.01251	7.5
72.99142	1.1
73.02813	2.1
75.00755	2.7
77.90120	0.8
78.95774	2.8
83.04940	1.1
85.02847	2.0
87.00769	2.0
89.02322	4.0
96.96886	0.8
97.06467	2.9
101.02339	5.0
113.02330	2.8
119.03390	0.9
123.07999	2.2
125.09640	5.0
137.09595	0.9
139.11162	4.1
141.12741	1.5
152.99474	2.6
155.10635	1.0
161.04454	3.0
167.10699	7.9
171.10167	3.7
185.11758	74.5
186.12094	3.4
201.11192	1.5
209.11789	7.4
210.12105	2.4
211.09760	2.1
211.13063	1.1
227.12842	3.0
228.13176	1.6
229.10747	2.5
231.06450	0.9
231.76651	0.8
235.08168	3.2
237.08215	0.8
253.09238	7.8
275.20108	0.9
277.21713	100.0
278.22073	12.4
279.22903	3.0
334.54361	0.8
399.14368	1.4
411.55295	0.9
453.15594	1.0
465.19794	1.5
725.41132	99.2
726.41547	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	725.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67263	0.4
55.01736	0.7
57.03328	2.3
58.00477	0.6
59.01256	14.8
69.03336	1.2
70.07980	1.8
71.01254	12.1
72.99179	1.3
73.02834	2.3
75.00742	2.1
83.01270	1.7
83.04903	0.6
85.02829	8.1
87.00747	1.9
89.02322	9.1
93.03355	0.5
95.01275	1.0
95.04877	0.7
96.95886	1.3
97.02830	1.1
97.06474	2.8
98.20546	0.5
99.00756	2.0
101.02335	6.0
111.00783	0.6
111.04403	0.5
113.02341	5.3
117.01945	0.4
119.02590	0.4
119.03380	2.5
121.02827	0.6
123.04535	0.4
125.02335	2.0
125.05975	0.5
125.09619	0.9
127.11170	1.7
129.10742	0.5
132.02039	0.7
134.03685	0.9
137.09529	0.7
143.03439	0.9
150.03149	3.0
151.97464	0.5
155.10654	1.1
155.14430	0.4
159.96695	0.5
160.01567	1.7
161.02165	0.6
161.04485	1.7
165.05498	1.9
165.12808	2.6
166.05925	0.6
166.13165	0.5
167.14355	0.5
171.10185	11.0
174.56456	0.4
175.03912	1.8
176.22601	0.6
177.12794	0.6
179.05583	2.4
179.06900	0.5
183.13843	8.2
184.14110	0.5
185.11749	1.3
193.04993	0.7
193.12277	1.1
195.06584	1.0
208.74344	0.5
209.11790	1.7
211.13342	15.9
212.13708	0.8
221.06662	0.8
221.11745	3.4
221.87622	0.5
222.92342	0.4
227.03435	0.6
227.12788	1.1
229.14424	10.4
230.14761	1.1
235.08263	1.1
236.86826	0.4
239.12891	1.3
249.06046	1.1
253.09245	0.6
255.02916	2.7
256.03394	0.6
267.07263	1.7
268.41379	0.5
283.02475	1.0
284.03214	2.3
285.03809	1.9
291.19614	3.2
303.79108	0.6
309.20691	2.1
327.21774	100.0
328.22104	10.0
337.09351	2.8
338.09482	1.2
397.13287	2.7
415.14609	23.0
415.19409	1.1
416.14810	1.5
457.62885	1.0
459.18683	1.6
477.19992	6.3
478.19925	0.7
621.49060	0.5
665.37665	2.5
681.26105	1.6
683.38727	1.3
725.36340	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71021	0.6
55.01757	0.9
57.03320	2.0
58.00452	1.2
59.01256	17.1
64.67463	0.6
69.03325	1.6
70.07280	3.0
71.01259	11.8
72.99197	1.3
73.02823	2.3
75.00743	1.4
79.22169	0.5
79.27132	0.6
83.01267	2.1
83.04886	1.3
84.85475	0.6
85.02821	7.3
87.00757	1.7
89.02328	8.5
95.01295	1.0
95.04906	0.9
97.02850	1.1
97.06474	2.2
99.00762	2.4
101.02328	5.9
104.04494	0.6
109.02829	0.9
111.08044	0.5
113.02348	5.3
119.03381	2.2
121.02800	0.5
121.61885	0.7
123.08055	0.6
125.02348	2.3
125.09634	1.0
125.42139	0.7
127.11186	1.8
131.03410	0.7
132.02090	0.8
134.03578	1.0
137.09599	1.0
143.03452	1.2
149.02405	0.9
150.03101	1.3
155.10692	1.2
160.01532	2.2
161.01961	0.6
161.04457	1.8
165.05498	1.9
165.12791	2.2
171.10182	13.3
175.03909	2.6
177.12770	1.6
179.05556	1.9
183.13841	7.4
184.14114	0.7
185.11778	1.3
193.04988	0.9
193.12167	0.9
193.36086	0.6
195.06514	0.9
203.10794	0.7
209.11784	1.7
211.13344	15.9
212.13625	0.6
215.98131	0.6
221.11774	3.5
227.03566	0.7
227.12852	0.9
229.14436	11.2
230.14740	0.9
235.08205	1.4
235.96277	0.6
239.12898	1.2
247.20708	0.8
249.06050	1.0
253.09215	1.3
255.02991	3.0
256.03592	1.0
267.07349	1.1
283.02484	1.9
284.03168	1.6
285.03671	1.2
291.19724	2.9
309.20746	2.7
327.21774	100.0
328.22055	8.4
337.09229	2.6
397.13568	2.8
404.57446	0.7
415.14612	22.1
415.19559	1.2
416.14755	1.7
458.12363	0.9
459.18848	2.0
477.19577	4.7
501.97357	0.7
665.37695	3.0
681.26208	1.7
683.38342	1.7
725.35938	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	725.1935
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01253	6.5
69.24113	2.3
69.24531	9.8
78.18481	0.9
85.02829	2.0
96.95909	1.6
97.36194	0.9
101.02276	1.0
107.01293	2.2
117.03328	1.3
151.00285	2.0
183.04440	3.5
211.03906	2.7
213.27499	0.9
213.32117	0.9
227.03429	11.5
239.03497	1.1
255.02974	58.4
256.03433	6.3
257.29529	1.0
271.02612	1.0
276.88879	1.1
283.02469	100.0
284.03210	40.6
285.04031	40.3
286.04468	2.1
326.04239	1.2
327.04913	1.5
446.08542	14.6
447.08936	4.0
563.14050	80.4
564.14343	12.0
605.14948	1.9
725.19275	15.4
726.19580	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	725.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36558	1.7
57.03304	3.8
58.79093	1.8
59.01257	41.9
61.28299	2.0
61.98710	26.0
63.49350	1.8
71.01254	33.6
71.58877	3.9
72.99178	8.6
73.02828	5.8
73.77097	1.6
75.00743	23.2
78.95784	2.6
83.01259	2.9
85.02833	29.1
87.00750	10.4
88.11768	1.8
88.37022	1.8
89.02316	8.0
93.85135	1.6
95.01260	5.9
96.95884	2.7
97.15042	1.7
99.00747	14.9
100.92491	2.2
101.02311	5.2
103.00257	3.1
111.00756	2.0
113.02351	28.5
117.01831	3.7
119.04906	3.5
121.02854	100.0
129.01842	2.5
145.02867	4.4
147.04477	2.0
163.03920	2.2
171.10159	5.9
173.02422	2.8
174.03139	6.7
175.02441	2.3
177.86505	1.8
217.05061	2.8
248.04565	1.9
249.06042	9.7
251.07140	3.8
263.07205	2.3
265.04990	2.6
267.06622	8.5
279.06592	6.1
279.10144	2.5
280.07266	1.8
282.08740	2.9
293.04797	2.9
294.05423	3.4
294.08905	3.9
308.06689	2.6
309.07660	2.5
323.05768	3.2
323.09235	9.7
327.21698	11.0
335.09189	2.0
338.07993	4.3
341.10083	4.8
353.10379	39.2
354.10544	2.8
371.09851	68.7
372.10107	1.9
415.14767	3.0
476.96912	2.0
492.65775	2.0
527.93835	1.9
535.31250	7.4
553.32117	2.1
573.15973	2.5
576.05609	2.4
585.16321	6.6
589.15283	6.2
675.34827	2.1
681.34497	5.5
689.18341	2.3
695.19940	18.5
696.20416	2.2
707.19751	42.6
708.19965	7.3
725.21057	29.1
725.33533	5.5
726.21887	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68958	0.4
55.01772	0.4
55.65013	0.4
57.03333	0.4
59.01250	7.3
63.68239	0.4
69.03314	0.5
70.32626	1.3
71.00896	0.6
71.01255	4.7
71.68256	0.4
72.62357	0.3
73.02829	1.3
73.36150	0.4
80.02565	0.9
81.03338	0.8
83.01234	1.0
83.04892	4.4
84.02040	0.6
85.02840	0.7
87.00756	1.1
89.02325	3.8
95.04887	0.7
101.02322	4.1
102.99565	0.4
113.02322	2.6
114.02213	0.4
115.77988	0.4
119.03364	0.6
127.07581	0.5
133.04947	0.4
135.08060	0.4
137.09619	0.4
145.04999	0.6
155.10669	0.6
161.04459	2.3
163.11235	3.2
165.12753	1.6
167.10661	0.7
171.10239	0.5
173.05620	0.4
179.05525	1.1
181.12265	0.7
183.13843	5.8
191.10756	1.0
193.12250	1.4
195.13834	4.9
196.14412	0.6
205.12132	0.4
209.11772	88.5
210.12082	5.8
211.13339	100.0
212.13696	6.2
223.13367	3.4
226.11543	0.4
227.12837	9.2
228.13402	1.1
235.08200	3.8
253.09270	20.3
254.09595	1.1
256.13095	0.8
275.20154	3.9
277.21722	44.6
278.22052	4.3
280.97668	0.4
293.21225	59.2
294.21548	5.5
445.20636	0.6
447.22400	3.9
448.22641	0.4
487.34445	0.5
653.27533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01759	0.5
57.03332	0.4
59.01250	6.0
69.77237	0.5
71.01251	4.5
72.99165	0.5
73.02831	1.3
79.00959	0.4
79.35110	0.5
83.01272	0.6
83.04900	0.7
85.02821	1.3
87.00732	1.2
89.02324	2.5
91.70656	0.5
97.06456	0.6
98.19771	1.0
99.92954	0.5
101.02315	4.4
111.08032	1.2
113.02330	3.0
119.03332	0.6
135.95380	0.5
142.34439	0.4
143.03430	0.7
156.15901	0.4
161.04462	2.0
164.59708	0.4
165.12767	10.6
183.13829	70.8
184.14143	4.1
209.11763	3.7
227.12836	5.1
235.08112	3.4
253.09283	7.5
259.20593	0.5
275.20184	0.8
277.21716	100.0
278.22101	7.6
417.95132	0.5
445.20773	2.4
463.21771	2.5
464.39798	0.5
494.71280	0.5
693.83105	0.6
723.43219	61.2
724.43585	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	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99730	0.4
55.01772	0.4
55.42140	0.4
58.00459	0.6
59.01253	6.6
68.62065	0.4
71.01255	5.0
73.02811	1.1
73.28547	0.4
79.55170	0.4
79.59972	0.4
83.01268	0.7
85.02829	1.3
87.00771	1.2
89.02314	3.0
97.06434	0.4
98.20653	0.8
101.02322	3.7
111.08082	0.6
113.02335	1.5
119.03406	0.7
133.32889	0.4
161.04486	1.5
165.12772	5.0
183.13829	100.0
184.14166	5.5
195.11368	0.5
209.11888	1.9
227.12828	5.6
229.57834	0.5
233.22816	0.6
235.08191	3.4
253.09233	4.6
277.21722	32.4
278.22049	3.3
419.23087	0.5
445.20691	1.3
463.21936	4.8
723.43195	38.9
724.43610	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	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45684	0.4
55.01736	0.5
57.03328	0.7
59.01249	6.4
69.03330	0.5
71.01249	4.3
71.04894	1.0
73.02821	0.8
83.01241	0.7
83.04907	0.6
85.02816	0.6
87.00730	1.2
89.02318	1.4
95.04920	0.6
97.02835	4.4
97.06472	0.9
99.00755	9.0
101.02345	3.0
109.06490	2.4
110.03621	1.1
113.02354	1.3
123.04516	0.6
123.08016	0.6
125.02350	0.9
125.09623	2.0
135.08052	1.0
136.05185	0.6
142.02667	2.1
145.04955	0.6
154.04732	0.5
161.04448	0.8
161.09634	0.6
163.11191	5.7
172.96797	0.4
179.10616	0.7
181.12263	11.0
189.09264	0.5
197.11606	0.8
199.13187	0.5
207.10204	36.0
208.10571	1.5
225.11275	60.0
226.11577	3.2
235.08244	2.8
243.12361	9.9
253.09306	3.7
267.12375	0.6
275.20047	0.6
277.21716	100.0
278.22052	7.5
296.85110	0.4
299.15326	0.4
441.33865	0.5
443.19183	3.7
458.46820	0.5
461.20319	7.1
462.20688	0.8
559.36963	0.5
671.56299	0.5
721.28516	0.8
721.41614	17.8
722.41583	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02057	0.9
56.59738	1.0
57.03329	1.0
59.01244	4.5
63.34445	1.0
71.01273	2.5
77.80267	1.0
85.02828	2.3
89.02299	1.2
91.01760	3.1
92.02087	1.2
96.95893	16.7
98.19666	2.6
113.12288	1.2
125.02338	2.8
132.02042	8.7
134.73500	1.1
135.00763	3.4
148.01573	1.4
149.02425	1.0
151.03876	1.9
153.01820	9.5
162.88135	1.5
163.00305	3.0
164.01100	1.6
171.04399	1.4
195.04478	1.9
211.03952	91.9
212.04300	5.0
213.05551	9.0
214.05757	1.3
214.76126	1.2
239.03465	68.8
240.04208	15.1
241.05032	5.6
255.06551	1.4
267.02927	4.2
267.09958	1.1
268.03760	100.0
269.04486	34.1
283.02496	1.2
300.02805	4.1
301.03357	1.7
372.20859	1.1
381.10004	6.3
398.09833	1.5
625.13989	1.7
723.21442	86.1
724.21820	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	723.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.0
61.98688	1.6
63.96107	2.0
69.03332	1.1
71.01252	10.4
73.02823	2.1
78.98464	7.1
79.95612	15.0
80.96394	92.0
81.03332	1.8
85.02796	3.5
87.00748	3.4
94.97964	19.7
95.01252	1.0
96.95883	2.7
97.02854	1.8
98.19764	1.7
99.00726	1.1
99.04368	0.8
101.02309	3.3
106.97990	4.5
107.90817	0.6
113.02342	1.9
119.59519	0.6
122.97474	4.0
125.02342	3.2
127.03865	0.9
133.02768	0.8
134.03557	1.0
134.97495	5.7
136.99036	2.2
148.99045	7.5
152.98506	7.4
164.97269	1.3
164.98558	15.0
167.06154	0.7
183.13794	4.8
193.05006	1.0
201.20030	0.7
206.99577	2.9
207.09903	1.1
213.14848	1.6
225.00720	22.6
230.10507	1.0
250.25368	0.8
307.13086	0.8
495.18680	1.4
509.16895	2.6
610.33295	0.8
679.33136	0.9
723.32617	100.0
724.33063	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	721.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44950	0.5
59.01249	2.0
60.99179	16.8
60.99499	0.9
62.14429	0.5
62.77355	0.4
64.85405	0.4
70.34303	1.6
71.01248	1.6
72.99171	0.5
73.02797	0.7
75.00732	0.6
82.56564	0.4
85.02799	0.7
88.98679	100.0
89.02322	1.8
89.99015	0.7
91.18997	0.4
101.02309	1.2
113.02332	0.7
121.54118	0.4
137.41422	0.4
169.99939	0.4
230.72942	0.5
253.99329	0.5
277.21777	4.1
287.07806	0.5
301.15015	0.5
397.13553	4.3
415.14453	1.6
661.34772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37465	0.4
57.03321	0.8
59.01253	11.3
69.03327	1.0
71.01255	5.2
71.04890	0.9
73.02827	1.6
75.00758	0.7
76.56429	0.4
81.03328	1.0
83.01266	0.7
85.02855	1.4
87.00768	1.4
89.02327	1.6
95.01299	0.7
97.02832	6.4
97.06496	1.2
99.00758	10.8
101.02306	2.8
109.06467	3.0
109.90491	0.5
110.03635	1.7
113.02315	1.5
119.03451	0.5
125.02314	1.1
125.09615	2.6
128.41092	0.6
135.08086	1.3
136.05251	1.5
142.02658	3.1
147.81215	0.6
161.04457	0.6
161.09622	0.9
163.11186	9.0
165.12718	0.5
179.10646	0.5
181.12262	16.6
182.12688	1.3
183.13792	0.8
189.09055	0.7
196.63808	0.5
197.11821	0.8
199.13350	1.0
203.85889	0.6
207.10205	52.4
208.10542	3.6
217.20514	0.5
223.13234	0.7
225.11281	100.0
226.11554	5.7
233.22827	0.7
235.08195	3.0
243.12349	12.4
243.14723	0.9
253.09232	3.8
277.21725	85.6
278.22107	6.4
291.23209	0.9
299.15146	1.2
317.15997	0.9
443.19165	4.3
461.20306	29.3
462.20493	3.1
578.44434	0.6
624.27197	0.6
651.07275	0.6
721.41571	20.0
722.42047	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61483	2.6
59.01251	49.6
60.99183	4.3
61.98702	4.2
71.01262	37.4
71.57838	2.7
73.02818	5.8
81.03342	3.8
83.01266	6.2
83.31652	2.3
85.02808	9.2
87.00764	3.8
88.98669	25.3
89.02318	25.1
93.14828	2.4
97.02816	3.8
99.00732	2.7
101.02329	24.4
113.02317	10.9
119.03384	9.0
125.02306	13.8
130.04245	3.0
143.03322	6.0
151.97415	2.4
161.04486	5.9
166.98453	2.7
172.89070	2.4
179.05516	4.6
211.13280	9.5
221.06305	2.8
235.08148	10.4
236.18170	2.7
253.09163	5.3
263.20157	73.1
264.20651	6.5
285.11334	2.9
287.07840	4.2
291.19617	7.8
305.08878	4.1
319.74536	2.6
397.13492	100.0
398.13776	6.1
415.14603	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62140	1.8
58.00483	2.1
59.01254	45.4
60.12947	1.7
69.03323	2.1
70.88708	5.0
71.01257	37.4
71.98219	2.0
72.28434	1.7
72.99184	3.7
73.02824	4.8
83.01257	4.9
85.02834	10.5
87.00732	10.8
89.02321	32.5
95.01244	3.8
97.02843	8.1
99.00733	3.0
99.66911	1.8
101.02326	29.4
113.02330	15.8
119.03398	11.2
125.02339	11.1
143.03423	5.3
161.04451	7.4
179.05511	7.6
209.11774	20.6
211.13376	4.8
217.07066	2.0
221.06694	2.2
229.46594	2.7
235.08192	15.7
253.09235	4.3
263.20139	82.3
264.20514	6.6
287.07755	3.6
291.19626	4.3
293.21295	9.2
305.08704	6.0
323.09830	2.5
397.13544	100.0
398.13861	6.9
415.14661	36.6
416.15027	3.1
466.04633	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84270	0.3
57.85191	0.3
59.01254	1.8
60.26620	0.3
60.99178	16.0
71.01254	0.9
74.27823	0.3
75.00732	0.5
78.95745	0.4
85.02814	0.7
88.98679	100.0
89.99054	0.9
96.95914	0.4
100.10938	0.3
113.02347	0.4
114.31715	0.3
191.41803	0.3
209.11742	0.5
211.13344	1.1
225.81448	0.3
229.32053	0.3
263.20215	0.6
278.18097	0.4
291.19705	0.7
349.73288	0.4
397.13565	0.9
631.38184	1.0
661.35461	0.6
661.84863	0.8
695.31219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03325	0.8
58.00468	1.8
59.01254	35.0
60.99188	1.0
65.76199	0.6
67.43141	0.6
68.99679	0.9
69.03329	2.1
71.01256	31.1
72.99183	2.6
73.02821	4.8
81.03326	1.5
83.01258	4.0
85.02814	6.6
86.74548	0.6
87.00748	6.2
88.98681	6.6
89.02318	29.1
91.03877	0.8
95.01272	1.9
97.02835	5.3
98.20544	1.7
99.00780	2.1
101.02324	25.9
103.03890	0.7
108.54781	0.5
109.02831	0.8
111.04420	0.7
113.02334	12.1
115.03882	0.6
119.03397	9.4
120.95262	0.6
121.02872	0.7
124.01620	0.7
125.02337	11.8
131.03406	0.9
139.03886	1.0
143.03401	5.2
150.04980	0.7
161.04459	7.1
164.54147	0.5
167.03381	1.3
170.07112	0.6
179.05547	6.1
185.04343	1.3
209.11774	7.4
211.13332	3.0
217.07091	0.9
221.06598	2.1
229.28497	0.8
235.08195	12.7
245.06671	0.7
253.09352	3.7
263.07718	1.9
275.20358	0.8
277.21725	83.5
278.22128	5.8
287.07727	3.0
291.19556	1.9
293.21179	5.4
305.08838	3.4
306.08524	0.7
323.09836	1.6
338.11700	0.7
361.11420	0.8
379.12607	1.2
397.13498	100.0
398.13699	5.8
415.14560	34.3
416.14899	2.3
675.36115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1776
Annotation	5-O-beta-D-Glucosylluteoliflavan-(4->8)-eriodictyol
Peak:m/z	Relative Intensity
50.50272	0.7
57.03304	0.9
57.31436	0.7
59.01252	6.2
61.98689	2.0
69.63658	0.8
70.08701	2.9
71.01254	4.1
71.04893	1.0
82.15456	0.7
83.01235	1.0
83.04868	1.2
85.02819	1.7
87.00740	1.1
89.02311	1.9
96.95881	1.0
97.02863	0.8
98.20492	0.8
99.00753	3.5
101.02327	1.6
113.02318	2.5
118.74541	0.7
119.03358	0.8
120.92810	0.7
125.09633	1.8
137.24045	0.7
163.11279	3.6
168.46506	0.7
171.10126	1.2
172.51656	0.8
181.12303	4.9
199.13312	2.4
207.10271	4.8
209.11798	8.8
225.11252	6.4
227.12793	1.1
229.14462	0.8
243.12312	3.0
270.03961	0.7
356.82498	0.7
385.03497	0.9
386.04169	1.3
388.01941	1.6
389.88004	0.8
399.05362	1.3
411.04779	1.1
414.03397	1.3
415.04370	1.4
416.05075	1.1
425.06619	1.9
426.07306	1.6
430.03204	2.3
438.07336	1.0
440.05243	1.6
441.05725	1.2
453.05869	1.3
454.06824	1.6
455.07623	1.3
459.07190	13.1
460.08041	4.6
469.09125	2.8
470.11014	0.9
471.06839	1.4
479.21457	2.2
481.09232	1.1
483.07254	1.1
484.07657	0.9
485.09448	1.0
486.09720	6.3
487.09955	1.1
497.08688	1.5
498.09650	1.4
501.08334	8.1
502.09210	6.1
513.11743	1.1
514.29956	0.7
515.09839	1.4
515.28278	1.3
525.08575	0.9
541.11420	2.9
559.12213	2.4
602.35529	2.5
603.35272	0.9
622.12189	0.9
649.15771	2.0
671.32825	1.0
689.33936	22.8
703.16730	4.6
720.37738	0.9
721.17755	100.0
722.18121	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	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37152	0.9
55.01738	1.2
57.03326	1.8
58.00471	1.1
59.01253	44.6
69.03316	1.8
71.01257	33.5
72.99187	2.1
73.02820	7.1
74.59559	0.8
81.03341	1.2
83.01270	4.0
85.02824	8.9
87.00751	7.8
88.98681	4.0
89.02321	28.7
95.01304	2.0
97.02830	6.5
98.20571	1.7
99.00731	2.2
100.58868	0.8
101.02321	29.0
113.02339	14.1
115.03889	0.9
119.03388	8.9
125.02336	12.0
131.03419	2.0
139.03862	1.4
143.03410	4.9
151.85162	0.8
161.04457	6.6
179.05542	5.2
211.13377	1.4
221.06581	2.4
235.08185	12.3
253.09219	4.3
263.07620	1.4
277.09216	1.1
277.21722	86.2
278.22037	6.2
287.07700	3.0
305.08762	4.0
379.12878	1.1
397.13489	100.0
398.13794	5.2
415.14563	35.7
416.15015	2.2
581.64264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03305	1.2
59.01250	11.6
61.98706	4.1
69.03312	1.4
71.01260	6.2
71.58445	1.1
72.99197	1.1
73.02841	1.8
75.00758	1.4
78.95767	0.7
82.77827	0.7
83.01266	1.2
83.04917	0.9
83.15594	0.7
84.02063	0.7
85.02824	6.2
85.11408	0.7
87.00739	1.6
89.02322	4.6
96.95912	3.6
97.02836	2.1
97.06467	1.3
98.95461	1.2
101.02327	4.5
113.02359	4.2
119.03434	1.8
121.02925	0.7
125.09625	1.3
127.11182	2.5
143.03444	1.4
161.04495	3.2
171.10188	100.0
172.10524	3.7
179.05563	1.5
183.13869	1.7
185.11664	1.0
201.11275	1.0
209.11833	2.0
211.13304	6.8
221.11801	1.6
229.14409	4.7
235.08180	8.9
236.08511	0.8
239.12927	0.8
253.09270	16.4
277.58655	0.7
291.19699	3.9
309.20740	9.9
310.20929	0.9
314.04196	0.8
327.21762	52.5
328.22150	4.4
397.03629	0.7
407.19043	1.5
481.31491	1.0
563.30579	1.6
564.30737	0.8
613.35498	2.2
631.36975	1.4
717.36456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45478	1.5
57.03323	1.8
59.00944	1.4
59.01239	6.1
59.76583	1.5
63.18981	1.5
63.88568	1.5
68.50182	1.5
70.18571	7.0
71.01275	3.8
71.04881	3.7
87.00748	2.4
88.10515	1.6
97.02819	3.6
97.06455	4.5
97.27851	1.7
99.00755	14.0
101.02299	2.8
107.13741	1.9
113.02342	1.9
125.09607	6.2
153.12685	2.0
163.11232	11.4
168.18690	1.8
171.81938	1.9
181.12282	19.4
192.83583	1.7
199.13348	6.2
207.10216	20.6
213.36900	1.5
225.11253	22.4
226.11693	1.8
243.12325	12.5
255.23264	47.5
256.23557	3.4
461.19595	2.8
479.21109	2.0
717.44391	100.0
718.44501	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	719.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.6
69.63864	94.0
82.86913	12.8
85.02842	18.8
88.78495	13.5
90.66047	12.3
98.30839	14.5
98.58186	13.4
106.45064	11.3
120.51428	13.4
341.10892	41.9
377.08487	100.0
404.29108	13.5
468.91141	12.8
685.54559	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	719.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	66.1
71.01257	4.8
71.57901	1.5
73.02818	1.7
75.00743	1.2
80.04942	1.4
82.02847	5.7
85.02815	1.7
87.00758	1.2
89.02326	1.2
94.02861	57.3
95.03150	1.1
96.04442	2.2
96.95900	3.4
99.00742	1.2
101.02303	3.0
103.30879	1.1
104.04922	1.2
105.05669	1.4
105.96785	1.0
106.06513	12.3
108.04418	4.7
110.06020	1.9
113.02325	2.1
119.03370	1.2
120.08078	39.4
121.08390	2.2
122.06032	7.8
125.02344	1.1
125.96326	1.1
130.46185	1.1
132.04466	3.4
134.06023	69.1
135.06413	1.1
136.03902	1.9
136.07565	1.6
137.04742	2.6
138.05522	21.7
146.06047	1.1
148.07584	1.3
150.05505	3.3
152.07079	7.0
158.02333	1.6
158.05954	1.1
160.03967	1.8
161.04669	1.1
164.07068	1.6
174.05484	2.4
190.04984	3.0
194.08139	2.9
200.32144	0.9
211.12247	1.4
215.11748	2.0
223.08775	6.7
224.09476	2.4
225.10248	3.2
227.11884	2.9
233.10722	1.2
235.08714	3.2
235.12456	1.8
236.09361	4.8
237.10280	7.5
238.10976	3.2
239.11824	6.0
249.06728	2.5
249.10278	10.7
250.07266	1.6
250.11055	2.0
251.08202	2.2
251.11853	12.1
252.12320	1.2
253.13507	2.6
256.14890	1.0
261.10141	1.7
262.10956	1.6
263.08240	8.2
263.11874	3.7
264.09033	13.4
264.11981	1.7
265.09775	5.6
265.13403	2.9
267.07666	1.0
267.11331	1.4
268.08542	1.0
271.07779	1.0
271.10818	2.2
275.08249	2.1
276.08987	5.0
277.09830	13.4
277.12830	1.3
278.07715	1.3
278.10510	9.3
278.13266	1.7
279.11389	43.8
280.11954	6.0
281.12860	1.0
283.10947	1.8
287.13919	2.7
289.09863	1.1
290.10547	2.3
291.11398	21.0
292.09109	1.0
292.12100	6.6
293.12927	1.8
295.10873	3.8
303.13748	1.4
305.09299	8.6
305.12982	5.8
306.10025	1.4
306.13171	1.0
307.10806	2.4
311.13971	2.8
322.09641	2.2
323.10474	6.3
324.11136	4.5
337.11917	4.9
354.12247	1.9
355.13153	2.5
356.13690	1.9
356.17615	2.5
358.19327	2.2
368.13892	2.2
369.14883	2.0
370.15466	5.6
371.16223	2.8
372.17291	1.7
376.16449	2.0
384.13754	1.0
384.17319	11.1
385.17664	3.6
386.18848	6.5
387.19528	1.2
388.16351	1.3
396.13443	1.9
397.14001	2.5
398.14352	2.3
398.18652	4.7
399.19406	2.5
400.20184	3.0
410.14948	2.2
411.15802	3.1
412.16470	2.4
424.16846	1.1
425.17285	2.0
426.18228	13.5
427.18814	4.7
429.16916	1.2
430.17990	5.6
431.18420	2.0
442.17532	1.3
443.18869	2.0
444.19370	7.6
452.15936	2.2
453.16748	2.7
458.20728	1.2
470.17242	3.5
471.17798	6.3
486.20401	9.9
487.21045	2.2
490.19958	3.8
502.20074	4.7
503.20258	1.6
504.21335	7.7
523.23279	1.9
530.19318	38.9
531.20050	17.7
532.20654	3.1
562.21881	66.3
563.22198	10.8
565.24500	2.6
567.22083	2.4
583.25635	6.9
609.23346	7.0
617.55963	1.2
625.27094	7.5
626.27368	1.4
627.24536	18.0
628.24799	4.0
641.25989	1.2
643.27380	8.2
644.27374	1.6
645.26355	1.6
659.27234	7.8
660.27704	2.0
669.25592	23.8
670.25806	3.9
687.26685	100.0
688.26782	21.2
701.28046	5.3
719.29211	17.9
720.29828	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	717.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	3.8
59.01251	100.0
71.01256	64.9
71.58691	2.7
72.99174	12.4
73.02820	8.9
79.95610	2.6
83.01262	6.9
85.02822	16.1
87.00761	10.2
89.02322	79.7
92.62441	2.7
93.03316	5.7
95.01243	4.5
96.95911	14.0
99.00756	4.3
101.02327	50.4
113.02329	24.0
119.03408	39.7
121.02837	6.1
122.03642	6.8
131.03397	6.6
134.03612	5.1
136.01518	4.0
141.01706	2.7
143.03383	10.0
145.02847	10.7
149.02365	15.3
149.04366	5.7
150.03140	51.1
151.03725	5.7
159.04433	3.0
160.05263	8.0
161.02332	6.8
161.04411	8.4
161.05997	6.1
162.03137	45.9
163.03773	4.5
164.04666	5.7
165.05496	41.0
168.98021	2.5
172.54237	2.7
175.07581	6.1
177.05486	46.1
178.05942	2.7
179.05585	23.9
179.06992	5.1
180.04233	2.9
195.06573	22.7
196.06860	3.7
255.02995	3.7
284.03418	3.5
329.14017	12.2
341.13831	4.7
347.16867	3.2
422.84335	3.1
489.19113	23.4
507.19885	5.6
633.22754	2.7
669.25323	25.2
670.25745	5.9
687.26599	10.5
717.27362	10.9
718.29248	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	717.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11564	1.0
59.01239	4.0
65.49956	0.9
69.81366	4.5
71.01247	3.2
73.02806	1.1
78.36028	1.0
84.42213	0.9
85.02826	2.1
93.03351	3.3
95.59995	0.9
96.95883	1.2
99.00736	1.1
108.02054	1.8
109.02811	1.9
111.00753	1.0
112.47999	0.9
119.04910	1.1
121.02831	9.7
122.03625	11.7
123.00739	2.0
123.04411	2.9
124.01505	2.1
132.02019	0.9
133.02843	9.5
134.03603	2.5
135.04495	1.9
136.01509	2.6
136.05321	1.0
137.02336	2.6
145.02844	2.1
147.04420	16.3
148.05190	2.0
149.01430	0.7
149.02344	24.4
149.06001	5.4
150.03131	82.1
151.03770	3.1
154.02586	1.1
158.03659	5.1
159.04449	7.0
160.05203	18.0
161.05991	10.0
162.03065	1.3
163.03986	4.8
164.04704	11.8
165.05484	67.2
166.05824	2.6
168.72885	0.8
173.06013	6.0
175.03949	2.0
175.07565	18.6
176.04691	4.9
177.05475	11.2
178.06296	4.2
179.06886	1.0
180.04175	4.1
189.05559	1.0
191.07004	1.6
193.08527	1.4
195.06555	35.0
196.06969	1.6
227.03473	1.3
255.02986	1.8
270.08856	3.0
284.03278	2.7
284.10471	1.7
285.03909	1.3
285.11346	2.3
305.12350	0.9
315.12387	2.2
323.04105	1.6
329.13928	40.6
330.14355	4.0
332.73492	0.9
359.14938	1.5
369.01700	0.9
369.57468	0.9
432.15747	1.8
444.15967	1.0
447.18210	9.8
459.18335	2.2
477.19162	100.0
478.19510	13.5
507.20200	8.5
508.20667	1.5
525.21283	58.8
526.21631	9.4
555.22363	10.4
556.22839	2.2
595.82391	0.9
684.21075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
60.01580	0.2
61.98703	100.0
62.98390	0.2
65.06942	0.2
70.32227	0.4
70.32628	0.3
71.01260	0.8
72.01590	0.2
72.44532	0.2
80.26508	0.2
82.65817	0.2
85.02873	0.3
89.02342	0.8
90.81534	0.2
98.19858	0.2
101.02339	0.5
107.58746	0.2
113.02327	0.3
147.54672	0.2
147.80862	0.2
150.94237	0.2
159.58113	0.2
190.53119	0.2
235.08240	0.2
255.23279	1.3
256.23627	1.3
257.23950	0.6
258.24164	0.2
313.56415	0.2
397.13632	0.8
398.13620	0.9
399.14044	1.3
400.14325	0.9
416.15131	0.4
417.15274	0.5
418.15662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26932	0.2
55.52360	0.2
58.00491	0.2
59.01256	1.0
61.98705	100.0
62.98406	0.2
71.01269	0.9
71.57935	0.3
89.02326	0.8
97.02818	0.3
101.02340	0.6
101.19131	0.2
104.81478	0.2
113.02351	0.4
115.60056	0.2
120.21915	0.2
125.02383	0.2
147.45100	0.2
246.60388	0.2
255.23265	1.1
256.23611	1.1
257.23947	0.6
258.24365	0.2
397.13483	0.5
398.13675	0.8
399.14084	1.5
400.14447	0.8
415.14874	0.3
416.14990	0.5
417.14908	0.4
657.38293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	8.9
59.01242	13.5
63.11031	3.5
70.91376	10.8
70.94299	3.3
71.01260	14.0
72.99168	6.1
75.00764	15.6
75.65952	2.9
85.02831	14.4
87.00762	6.4
90.66964	3.2
95.01251	3.5
96.08061	9.6
97.06499	3.1
99.00777	9.1
100.63835	3.2
113.02345	13.9
113.49577	2.7
115.00239	3.4
117.01847	3.3
125.09608	22.9
126.09946	6.9
163.69807	3.4
167.14294	18.9
171.10498	3.7
181.03398	3.9
187.09721	6.2
210.14946	19.1
211.13341	13.4
223.34772	3.5
229.14421	45.0
230.14793	4.0
238.51453	3.6
249.06152	8.4
254.13942	7.3
254.17462	4.4
379.71793	3.3
417.20953	5.2
476.23621	3.5
479.21359	14.4
672.36090	6.2
716.34735	100.0
717.35529	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	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.8
58.11283	2.1
59.01257	3.9
70.17979	4.2
70.18372	5.0
71.01235	4.2
71.04902	4.0
74.22661	2.0
78.67033	1.9
85.02829	2.5
86.96192	2.1
89.02327	2.4
97.02821	3.1
97.06463	3.3
99.00763	18.7
101.02339	2.9
112.39391	2.4
125.09615	8.2
163.11191	10.7
181.12256	22.1
199.13364	6.8
207.10179	14.4
215.49530	2.7
225.09157	3.8
225.11234	28.8
243.12355	15.2
253.09209	2.6
253.21689	47.6
479.21378	3.8
715.42706	100.0
716.43274	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	716.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71996	0.6
56.82945	0.8
59.01252	4.1
61.98693	1.4
62.26476	0.7
62.86156	0.6
70.00637	3.9
71.01255	3.0
74.25095	0.6
75.00748	1.4
80.36016	0.9
85.02814	2.1
87.00762	0.9
89.02326	1.1
90.87215	0.7
95.01264	0.7
96.95902	2.8
99.00761	1.3
101.02312	1.1
102.62646	0.7
113.02324	1.6
120.01144	100.0
121.01541	1.7
149.02379	0.7
164.04733	0.8
175.02435	0.8
175.03900	1.0
227.03488	1.1
250.10797	0.7
284.03381	1.8
292.78119	0.8
425.50665	0.7
534.96606	0.7
578.00818	0.8
590.50555	0.7
741.19617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84434	1.3
59.01247	12.9
61.98698	1.1
68.94859	0.9
71.01257	3.2
71.56850	1.5
71.57243	1.5
89.02309	1.8
101.02310	2.1
113.09621	7.8
141.09085	1.5
159.10176	100.0
160.10506	3.4
161.04491	1.1
184.81038	1.1
235.08226	1.7
253.09259	13.2
253.21729	3.1
277.21729	53.2
278.22153	3.6
419.31540	11.4
420.31863	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	715.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60851	0.9
54.69602	1.0
57.91038	0.9
59.01253	61.2
61.98672	1.1
71.01257	2.8
71.07147	3.0
73.02789	0.9
80.04942	5.8
96.95876	1.6
99.00738	1.2
104.04962	2.0
106.06499	11.0
107.03653	3.1
108.04458	2.5
113.02343	2.4
120.04427	2.3
120.08062	1.7
121.05238	1.4
122.06020	28.2
123.06327	1.3
128.24863	1.2
130.06551	1.3
132.04427	2.8
134.06026	50.2
135.06374	1.3
136.07527	2.6
146.06038	3.8
147.03152	1.1
152.07091	4.8
158.05988	1.2
160.03937	2.6
160.06317	3.6
160.07568	1.1
162.05524	1.4
167.30492	1.1
174.05507	4.0
180.06581	4.2
186.05585	1.5
188.07153	9.4
190.05064	2.0
194.08185	3.2
211.08678	4.0
213.10268	12.1
214.12355	1.2
223.08643	1.7
224.09375	1.9
225.10207	5.7
226.10962	2.7
227.11844	7.5
235.08725	2.2
236.09483	1.3
237.10318	4.2
237.85306	1.1
239.11859	14.9
241.13435	11.2
242.13895	1.2
248.09457	1.2
249.06538	1.5
249.10339	4.6
250.07463	4.1
250.10951	1.6
251.08211	5.3
251.11929	4.7
252.09009	2.8
253.09743	7.2
263.08200	5.2
263.11932	2.1
264.08951	1.8
265.09735	11.4
266.10434	2.1
267.11270	6.0
275.07886	0.9
277.09903	12.5
278.06958	8.2
278.10486	5.9
279.07706	9.4
279.11325	6.0
280.08276	1.6
284.02887	1.2
285.12457	33.7
285.58121	1.2
286.12756	1.7
287.14093	2.3
291.07755	3.2
291.11401	3.4
292.08487	3.2
293.06082	2.0
293.09299	31.5
293.12918	9.1
294.10031	8.8
295.10919	17.8
296.11475	1.1
305.09335	8.1
306.10052	7.0
307.10880	14.8
308.11411	1.5
309.12314	2.1
320.07703	1.2
321.08792	3.3
321.12256	2.2
337.08307	15.5
337.11951	2.3
338.08896	4.6
339.09836	2.2
342.12473	2.8
343.13235	1.5
351.09943	2.0
355.13135	3.4
356.13943	2.3
356.17792	1.4
357.14990	1.8
358.15570	6.4
359.16000	1.3
365.11414	5.9
367.12918	1.8
369.14719	1.6
370.11600	2.3
370.15720	2.4
372.17261	1.8
374.18735	1.4
382.15787	1.8
383.12820	1.4
384.13272	5.5
384.17715	1.4
385.14078	3.6
397.14032	2.8
398.14969	4.2
399.15674	3.0
400.16620	14.1
401.17117	2.8
412.17111	6.1
413.17233	3.8
414.18134	2.9
424.16956	1.3
426.14386	5.2
440.16141	2.4
441.16846	5.8
442.17734	8.4
444.15665	2.1
456.19333	8.1
458.17139	3.6
460.19016	1.7
468.15543	4.6
474.20444	3.0
479.24796	1.3
485.15799	2.5
486.16891	8.3
490.20639	1.1
500.18234	4.1
501.18872	3.3
502.19684	5.9
505.22397	1.9
516.21423	18.7
517.21082	3.9
520.21088	1.6
532.20862	2.4
539.26898	1.4
545.17828	4.9
546.18854	27.0
547.24274	13.2
548.23834	2.4
560.20386	48.8
561.20709	9.2
565.24268	5.3
577.20471	2.8
578.21472	4.6
579.26068	2.3
591.22430	9.0
592.13330	2.1
592.22955	41.9
593.23523	6.0
607.25671	36.9
608.25806	8.5
623.25049	5.2
639.18469	2.1
639.28302	32.0
640.28571	6.7
651.24438	18.8
652.24927	4.3
683.27209	100.0
684.27429	20.6
715.29852	15.3
716.30316	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	715.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31713	1.0
59.01228	1.0
64.31003	0.9
66.06652	0.9
69.53900	5.5
71.01285	1.1
93.03335	2.9
120.01130	1.3
121.02833	4.7
122.03639	10.8
133.02852	1.7
135.04437	2.0
136.01559	16.3
137.02365	1.1
147.04489	0.9
149.01219	1.4
149.02357	16.3
150.03133	78.8
151.03931	20.6
152.04254	1.1
161.05925	0.9
162.06720	0.9
164.04738	4.1
165.05487	100.0
166.05803	4.7
172.05254	0.8
175.03932	2.7
180.04211	6.9
189.05470	1.4
190.06302	2.8
195.06564	91.3
196.06908	4.8
299.09238	1.0
327.12344	6.3
329.41797	0.9
357.13431	23.3
358.13626	1.3
367.52060	1.0
505.18701	16.5
506.19080	2.9
510.46387	1.0
553.20770	15.0
554.20941	2.7
625.58038	0.9
677.49609	1.4
683.44995	0.9
714.47650	10.5
715.47333	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69763	1.2
59.01255	24.3
62.03640	1.1
71.01261	2.0
78.95773	3.7
89.41621	1.2
89.64339	1.1
91.97770	1.3
101.02317	3.1
110.35109	1.2
111.08067	1.5
113.02354	1.6
113.09589	3.1
139.07494	1.7
157.08611	83.9
158.08963	3.3
229.50229	1.4
235.08170	4.1
253.09248	10.0
277.21744	100.0
278.22043	7.9
446.66806	1.5
471.11206	1.5
654.11700	1.5
713.38556	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	715.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88848	0.5
59.01255	5.7
59.47881	0.7
69.00439	0.5
70.44045	1.6
71.01262	4.7
75.00717	0.9
84.30470	0.6
85.02848	0.8
89.02321	4.5
92.82097	0.6
93.03321	3.3
95.01234	1.2
95.04906	1.3
101.02314	2.1
101.05042	0.7
107.04961	0.9
108.02026	2.2
109.02836	1.9
110.83847	0.6
113.02319	1.5
119.03390	2.1
120.01125	1.7
121.02853	15.5
122.03646	11.3
123.00781	0.9
123.04371	1.8
124.01558	1.3
125.78895	0.6
132.02109	0.7
133.02853	2.9
134.03621	2.0
135.04427	10.7
136.01570	29.8
136.05206	1.4
137.02399	6.8
143.04964	0.9
145.02832	1.6
147.04430	2.4
149.02356	31.8
149.05974	1.1
150.03146	57.3
151.03925	31.5
152.04297	0.9
153.79523	0.6
154.02559	0.8
159.04503	0.7
160.05212	1.3
161.02299	1.4
161.05969	2.1
162.03185	4.0
163.03976	5.1
164.04709	7.2
165.05489	53.6
166.05833	2.2
172.05228	2.3
173.05975	1.0
174.03133	0.9
175.03918	8.1
176.04660	1.4
177.05486	3.4
180.04193	2.9
187.07617	0.8
189.05472	4.4
190.06287	10.3
191.06914	0.8
191.56667	0.6
195.06563	32.0
196.06926	1.2
204.32002	0.7
205.08662	1.3
222.22421	0.6
225.05629	0.7
237.05472	1.1
252.04308	1.1
255.06673	1.3
267.06778	1.5
281.08087	1.3
284.06973	1.4
285.07730	1.6
299.09164	5.3
309.07782	1.2
309.11411	0.7
311.09262	1.2
324.09937	0.9
325.10797	1.2
326.11517	0.9
327.12326	6.6
339.12366	2.7
342.11304	1.1
343.11761	2.5
357.13443	31.2
358.13773	2.1
459.13718	0.7
460.15237	1.3
475.17673	5.1
476.18283	1.3
487.17529	1.6
490.16531	1.7
505.18707	100.0
506.19028	14.8
535.19806	1.2
547.19348	0.9
553.20789	25.4
554.21198	5.0
715.24701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.0
61.98698	1.2
71.01253	2.0
73.02807	1.0
78.95766	2.4
89.02325	1.2
97.97828	0.8
101.02313	2.0
111.08028	1.9
113.02353	1.0
113.09607	2.8
139.07532	2.7
152.99504	1.0
157.08615	100.0
158.08936	2.6
159.10216	1.6
161.04453	1.3
197.11798	1.4
229.38058	1.2
235.08076	1.1
253.09219	6.6
253.21686	3.9
277.21719	54.5
278.22098	5.0
384.29330	1.0
393.17538	1.2
409.65649	0.9
713.40894	7.2
714.40387	1.0
738.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75395	0.9
55.01757	2.2
55.42959	0.8
57.03320	6.2
59.01252	4.2
61.98711	1.8
68.99683	1.6
71.01254	6.8
71.58017	1.5
72.99178	3.9
75.00748	33.7
80.91564	8.1
83.01254	2.1
83.46300	0.8
85.02819	30.2
87.00757	2.9
89.02341	1.3
89.75612	0.7
91.24485	0.8
95.01267	3.7
97.06478	0.9
99.00758	2.5
100.79473	0.8
112.01552	0.9
113.02335	14.8
117.01842	1.4
125.09617	5.1
129.01831	1.5
157.01312	1.8
171.10258	1.4
185.11780	4.4
187.09674	3.6
197.11726	0.9
198.25565	0.9
201.11348	3.0
209.11795	3.7
221.24419	0.9
225.11278	1.7
253.09178	1.3
291.19754	1.2
293.21231	1.4
337.93362	0.9
423.18954	1.1
468.21313	1.0
582.01514	1.1
586.38971	0.9
587.39478	3.3
618.37622	1.5
631.38483	100.0
632.38892	19.0
653.37653	4.5
713.38721	29.5
714.39166	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	713.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.6
57.03320	5.4
59.01250	6.4
61.98702	3.6
71.01263	6.9
71.56907	1.8
72.43205	1.1
72.99165	4.8
73.02837	1.3
75.00746	33.3
78.95816	1.3
80.91550	4.1
81.22145	1.2
83.01265	2.8
85.02818	28.5
87.00765	4.3
89.02316	1.7
95.01254	2.9
99.00770	3.8
101.02320	1.5
103.33572	1.3
106.29253	1.2
112.01563	1.5
113.02339	16.4
115.00243	2.4
127.79421	1.1
129.01846	1.4
157.01324	1.5
171.10179	2.9
172.62947	1.4
174.50601	1.2
175.02435	1.4
183.39618	1.1
185.11795	6.2
187.09766	1.5
197.00636	1.7
201.11256	11.1
251.86359	1.3
253.09265	3.7
265.68185	1.3
277.21704	2.2
291.90756	1.3
293.21194	4.9
306.26892	1.2
309.20648	2.9
322.24368	1.2
327.21808	1.6
587.39575	4.0
631.38519	100.0
632.39117	16.9
653.36414	4.2
713.38965	29.9
714.39270	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	713.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50842	1.1
53.38475	1.0
55.01751	2.7
57.03321	4.9
59.01261	2.6
71.01254	5.7
72.99171	1.9
75.00747	32.6
78.91761	5.2
80.91076	2.5
80.91556	44.6
83.01271	1.3
85.02828	26.9
87.00742	1.2
88.38587	1.0
95.01257	3.4
95.12319	1.2
97.84399	1.3
99.00766	1.5
99.90943	1.2
112.01534	1.3
113.02354	15.9
117.01796	1.3
124.10326	1.2
124.67600	1.2
129.01865	1.8
157.01392	2.3
168.83243	1.1
175.02518	1.1
220.35820	1.2
277.21631	1.4
301.05869	1.3
455.35196	6.5
456.35675	1.5
509.36267	2.2
555.36658	2.1
631.38483	100.0
632.38910	17.2
653.37177	5.8
654.37933	2.3
713.38837	29.0
713.51190	1.5
714.39130	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	713.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49490	2.4
56.57882	2.3
59.01257	100.0
60.01580	2.3
62.85508	2.6
71.01247	16.7
71.57502	5.0
73.02831	6.7
83.01254	2.7
83.04932	2.1
85.02824	8.3
86.04292	2.1
89.02360	2.4
96.95822	2.9
101.02321	8.1
111.68347	2.3
113.02343	6.0
151.40710	2.1
153.69157	2.9
160.03981	5.8
161.04445	7.8
175.02275	2.4
176.20309	2.6
179.85477	2.3
269.10266	12.7
311.11154	3.5
373.14047	3.5
448.53177	2.4
458.68195	2.4
547.19952	2.3
695.23395	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	713.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	32.5
67.48052	10.7
69.57043	27.0
69.57452	64.7
71.01257	38.7
78.95775	13.2
85.02839	18.0
89.02315	24.6
101.02341	22.2
113.02336	26.3
125.02386	13.3
130.94276	14.0
171.10130	27.7
197.15221	11.0
199.09711	26.2
235.08238	13.7
277.21658	17.6
279.23386	62.6
293.21350	13.2
397.13550	100.0
398.14166	12.1
415.14578	41.0
631.38983	27.8
713.35266	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.4
59.01252	89.3
60.01569	3.1
70.14485	6.7
70.14886	5.4
71.01254	43.4
72.01542	2.5
72.99165	7.3
73.02802	6.9
73.72250	2.5
75.00758	18.8
78.95745	5.2
83.01243	3.8
85.02824	26.0
87.00736	10.2
89.02325	13.8
91.58678	2.3
95.01241	7.7
99.00753	17.4
99.04388	3.4
101.02327	18.1
111.00793	2.6
113.02350	34.3
117.01759	4.4
117.03339	3.6
119.03403	5.0
119.04890	4.0
123.58054	2.3
132.01956	3.3
134.03633	34.8
145.02815	4.3
149.05933	3.8
150.03081	3.3
160.01564	17.5
160.95370	2.3
161.02271	5.7
175.02501	3.7
175.03906	14.4
175.13716	2.4
175.84459	2.3
177.01813	3.2
190.02588	3.1
193.03493	3.0
193.04991	22.7
195.06612	2.9
205.07007	2.8
207.13818	3.0
209.11700	6.6
227.12769	6.3
238.74623	2.7
249.06030	11.3
267.07266	16.5
269.13858	9.8
287.14920	4.9
307.57550	2.3
309.08203	9.6
443.11597	6.8
485.12830	5.9
490.34335	3.8
509.35254	3.7
537.21979	23.6
652.39801	19.1
653.39819	8.2
669.27185	6.9
670.41571	12.5
671.41296	14.8
695.25104	8.1
712.83014	7.8
713.26398	100.0
714.26581	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	713.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13936	0.9
57.03326	5.3
59.01255	69.0
60.01567	1.5
65.10081	0.8
68.99694	1.5
69.03356	1.6
71.01259	27.0
71.58631	1.5
72.01598	1.2
72.99177	7.3
73.02809	3.8
75.00749	15.3
76.55665	0.8
78.95771	3.0
83.01266	3.8
85.02828	25.2
87.00755	7.2
89.02327	6.9
95.01247	5.3
95.01784	1.0
96.95896	1.8
99.00774	13.1
99.04413	3.2
101.02368	4.9
103.00249	3.4
111.00770	1.4
113.02336	28.3
115.00227	3.7
117.01792	3.1
117.03332	4.1
119.04910	1.8
121.02835	1.3
129.01797	2.4
131.03455	1.2
132.02034	3.4
133.02856	4.3
134.03639	40.3
135.04425	2.2
136.01544	0.9
137.02309	1.4
139.00191	1.0
145.02850	3.6
149.02318	2.0
149.05952	3.8
150.03099	2.2
160.01576	14.3
160.68944	0.8
161.02313	3.6
161.04446	1.2
161.18253	0.9
163.03900	1.7
164.04677	1.2
165.05489	1.7
165.12750	2.5
171.00513	2.0
175.02419	3.7
175.03903	16.4
176.04298	1.7
177.01862	1.5
179.03477	1.9
189.12790	1.4
190.02592	2.2
191.10503	1.0
193.03441	1.5
193.05016	23.1
194.05232	1.4
205.04982	1.7
205.07028	1.6
207.04947	1.1
207.13779	4.0
209.11842	8.8
225.14847	2.5
227.12877	8.7
249.06038	11.6
251.12897	2.2
253.06966	1.3
267.07138	20.1
269.13922	16.0
274.30545	1.1
287.14944	3.3
309.08215	10.2
361.18713	2.2
373.12668	1.0
375.13504	1.7
381.11978	1.2
423.13452	1.0
425.10831	2.1
443.11929	9.6
465.24921	2.9
485.13028	7.2
509.35333	1.2
519.20917	5.5
537.22034	21.5
538.22595	2.1
651.26996	1.5
652.39343	1.9
653.23901	2.2
653.40332	3.8
669.27789	5.9
670.40747	2.1
671.41034	3.5
695.25153	10.5
696.25977	2.2
712.83936	5.2
713.26501	100.0
714.26855	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	713.2609
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
57.03327	0.5
59.01249	5.2
71.01252	2.3
71.57689	0.6
73.02810	0.8
75.00734	0.8
85.02818	1.3
87.23608	0.5
89.02314	0.7
96.95897	1.4
101.02319	1.1
108.02053	1.3
109.02815	1.5
113.02373	1.0
119.04975	0.7
121.02805	2.3
123.04441	0.9
134.03615	0.8
135.04445	0.6
136.01566	20.8
137.02370	5.1
145.02853	1.1
146.03654	0.5
147.04424	0.8
149.02316	1.2
151.03917	12.6
152.04222	0.7
159.04410	0.8
161.02345	0.5
162.03113	1.4
163.03889	2.4
165.05396	0.5
165.31418	0.6
175.03902	1.4
176.04654	1.2
177.05428	1.6
187.03914	1.2
189.05580	0.8
190.06195	0.9
213.05606	0.6
228.04109	0.6
229.04984	0.7
230.05463	0.6
242.02100	0.9
258.05502	0.7
259.06012	0.8
267.06543	0.8
271.06088	0.6
277.04471	0.5
277.08411	0.5
279.06381	0.7
285.07806	1.0
293.08224	0.6
297.07596	0.7
309.07559	0.7
347.09180	0.6
433.13293	0.7
446.13892	0.6
448.11432	0.7
449.12204	1.1
462.13232	0.7
463.13568	0.9
464.14789	1.6
475.14111	1.2
491.12738	0.7
492.14072	0.7
493.15173	2.6
507.15955	0.9
517.18958	0.5
519.16870	1.4
520.16602	0.7
623.21991	0.6
631.38831	1.9
637.20502	0.7
651.38458	0.6
653.23944	3.3
654.24603	0.7
683.24646	4.1
684.25299	0.6
698.22992	1.0
713.26031	100.0
714.26428	22.1
714.36145	0.4
719.13812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2607
Annotation	Lappaol F
Peak:m/z	Relative Intensity
59.01030	1.8
59.01253	18.7
61.98706	4.2
62.19793	1.7
71.01250	6.7
83.50117	2.1
85.02813	5.5
89.02316	4.2
93.03334	3.7
95.01284	2.2
96.95926	2.5
101.02269	2.0
108.02055	9.6
109.02846	10.5
111.00777	2.7
113.02317	5.6
119.03390	2.3
119.04945	3.0
121.02830	27.2
122.03613	6.3
123.00774	9.6
123.04408	11.8
124.01581	4.4
125.02318	4.0
125.09632	3.1
134.03694	2.6
134.24699	1.9
135.04416	7.1
136.00513	4.8
136.01563	95.0
137.02409	15.3
143.04924	4.1
145.02840	3.4
146.03635	5.6
147.04416	8.7
149.02335	4.2
151.00255	6.6
151.03920	57.3
152.01024	6.3
153.01810	3.0
159.04390	6.8
160.05214	4.9
161.02386	2.2
161.06003	15.4
162.03111	8.1
163.03880	11.1
163.07597	2.3
164.04669	3.3
166.02646	2.2
167.03349	2.5
171.04483	3.3
171.10170	5.6
172.05220	12.2
173.06018	12.6
174.03156	4.2
175.03922	25.1
176.04730	12.9
177.01851	3.6
177.05457	7.8
179.07127	2.6
183.90079	2.1
185.11714	5.7
187.03976	3.3
189.05525	23.6
190.06317	27.9
191.07051	14.4
205.08734	3.7
223.13179	2.0
230.01352	2.2
249.05687	2.2
253.09286	2.6
259.06149	2.6
265.04971	3.7
277.05017	2.7
279.06717	2.4
286.04993	3.5
293.07840	2.2
295.06079	3.6
301.07208	5.6
309.07770	2.7
342.11157	2.8
357.09674	6.0
432.11905	4.6
445.13031	3.3
460.11301	3.5
475.14038	2.7
477.15387	4.8
489.15823	2.3
492.14233	6.7
493.14865	5.0
502.17026	3.0
507.16644	23.8
508.16830	3.5
517.18536	4.6
521.17987	3.1
529.18640	2.7
547.19312	8.8
605.18658	2.1
623.22974	7.8
635.22736	15.1
653.23865	44.7
654.24310	8.9
665.24030	29.7
666.24646	5.2
683.25049	82.0
684.25085	16.3
695.24890	12.0
696.24536	3.3
713.26007	100.0
713.37506	4.9
714.26764	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	713.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60843	1.0
59.01252	29.4
61.98711	2.4
65.00201	3.2
69.03348	1.3
70.89136	2.0
70.89474	1.3
71.01247	6.1
72.99162	2.3
73.02816	1.6
80.51421	1.3
80.96407	2.5
85.02832	3.4
88.03910	1.2
89.02326	3.4
93.03362	2.4
96.95917	4.2
101.02333	3.3
109.99998	3.1
111.00784	6.5
113.02326	5.0
119.04931	1.3
121.02862	10.5
122.03644	1.7
123.00799	1.9
125.02336	2.8
134.03606	2.0
135.04417	1.9
136.01575	3.5
137.02328	2.5
137.99512	2.3
139.00276	19.5
139.07492	1.5
151.03902	3.5
153.01845	18.4
159.04485	1.6
161.02373	3.8
163.03889	1.9
165.05620	1.7
167.54370	1.1
168.04219	1.6
179.03400	2.6
187.04071	1.5
193.04965	1.8
209.08183	2.5
211.04025	1.5
239.03511	3.9
245.04555	1.3
267.03027	4.5
268.03592	1.5
273.04025	2.5
282.05356	24.2
283.05814	3.5
284.03528	1.6
288.06415	2.2
289.07422	2.1
321.16916	1.3
479.13492	29.3
480.13916	4.3
494.15781	11.9
495.16226	1.6
509.18161	100.0
510.18515	14.2
614.69940	1.4
713.29077	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.3
56.53333	0.5
56.66935	0.4
57.03325	6.0
58.00466	2.4
59.01252	99.7
60.01588	0.7
60.29642	0.4
69.03326	2.1
71.01255	58.5
72.01601	0.9
72.99180	3.4
73.02821	13.5
75.00761	1.6
78.95789	0.7
80.67419	0.5
81.03374	0.6
83.01257	9.4
85.02824	29.9
85.06518	0.6
85.99973	1.0
86.03148	1.2
87.00766	4.9
89.02319	17.5
92.76783	0.5
95.01267	6.8
96.95867	0.6
97.02828	3.0
99.00754	5.7
101.02324	35.2
111.00773	3.8
112.01559	1.8
113.02331	30.1
114.02635	1.0
115.03926	0.7
119.03407	5.4
120.01173	0.5
124.01559	2.5
125.02338	7.5
129.01833	1.5
131.03369	0.9
143.03397	5.7
159.02869	2.5
160.01590	0.9
161.04459	5.5
163.03911	0.6
175.03870	0.7
179.05542	0.9
197.15338	0.5
213.18581	2.1
299.25952	1.4
313.10715	0.8
345.30048	5.8
373.12915	1.4
438.68561	0.6
489.34213	7.9
490.34796	1.1
507.35294	13.0
508.35837	1.3
577.36163	1.3
587.37976	0.7
603.37311	1.0
615.37195	1.2
621.38300	0.8
651.39581	100.0
652.40009	17.1
669.40668	70.6
670.41034	10.9
711.28510	0.7
711.41833	12.9
712.42261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.1
57.03330	5.3
58.00472	1.9
59.01252	92.4
60.01587	0.8
69.03345	2.4
69.44822	5.2
71.01255	51.3
72.99181	3.7
73.02816	12.1
73.03185	0.8
75.00403	0.5
75.00760	3.2
79.02265	0.5
81.03346	1.0
83.01254	9.5
85.02827	26.9
85.99973	1.1
86.03159	0.7
87.00758	6.0
89.02322	15.5
90.02671	0.6
91.38895	0.6
95.01276	6.1
96.95899	1.6
97.02846	2.6
99.00765	6.5
101.02325	31.1
102.02672	1.0
110.61922	0.5
111.00762	5.0
112.01576	1.3
113.02332	23.0
114.02695	0.7
115.03864	0.8
118.78434	0.6
119.03394	5.8
124.01566	2.4
125.02338	8.0
129.01852	1.7
135.02905	2.9
137.09636	0.6
143.03383	4.8
149.93434	0.6
159.02919	2.3
160.01611	0.7
161.04463	4.0
163.03893	0.6
179.05592	0.8
181.08635	1.1
195.07028	0.6
197.11687	1.2
211.17035	0.8
213.18495	3.2
223.09674	0.8
241.10847	1.2
299.26004	2.1
327.28928	0.6
345.30029	6.0
356.53223	0.7
489.34271	10.0
490.34888	0.9
507.35376	16.5
508.35602	2.8
513.21698	0.6
577.35803	0.7
603.37280	0.8
615.37500	1.1
621.38348	1.0
651.39581	100.0
652.39899	17.2
667.26324	2.0
669.40631	68.1
670.41028	10.7
690.43524	0.6
711.30609	0.7
711.41779	10.7
712.42163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89753	0.4
55.01754	2.9
57.03325	5.8
58.00476	2.2
58.84249	0.4
59.01252	97.2
60.01585	1.0
66.13882	0.4
69.03323	2.2
71.01254	60.9
71.04913	0.4
71.58224	0.9
72.01606	0.5
72.99185	3.7
73.02818	13.3
75.00764	1.9
78.95769	0.9
81.03349	0.4
83.01260	9.4
84.01582	0.5
84.02062	0.8
85.02826	28.7
85.99974	1.2
86.03167	0.5
87.00748	5.3
87.04411	0.5
89.02319	19.4
95.01265	6.2
96.95918	0.7
97.02819	2.9
99.00750	5.6
101.02325	34.3
102.02649	0.8
105.92372	0.4
109.02863	0.4
111.00790	4.2
112.01581	1.5
113.02334	29.2
113.70159	0.4
114.02654	0.6
115.03857	0.8
119.03399	6.8
120.01132	0.6
121.02825	0.5
124.01588	2.5
125.02334	7.2
129.01833	1.3
131.03394	0.6
134.03627	0.4
135.04431	0.7
141.01834	0.5
143.03415	5.5
153.05487	0.4
159.02870	2.6
160.01584	1.1
161.04465	6.9
163.03874	0.7
165.05611	0.4
171.00601	0.9
175.03926	1.1
179.05502	1.4
193.05049	0.6
213.18591	1.9
237.37474	0.4
249.06004	0.5
267.07034	0.7
299.25894	1.7
313.10886	1.1
337.09290	0.7
345.30148	4.7
373.12851	2.2
489.34375	9.4
490.34634	1.1
507.35397	15.5
508.35931	1.5
547.34552	0.6
577.35980	0.8
587.37360	0.5
603.37860	0.6
615.37909	1.8
651.39600	100.0
652.29041	0.7
652.39996	14.9
669.40668	68.8
670.40948	10.8
711.41962	13.6
712.42133	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88400	10.7
55.13712	9.4
56.39347	11.6
58.32888	9.4
59.01249	100.0
59.39717	11.0
61.98691	16.8
64.04016	9.3
71.01250	21.0
73.02823	14.8
75.00763	11.9
78.95777	11.0
82.10651	11.4
85.02821	17.6
89.02324	29.6
98.19732	15.7
101.02332	33.6
113.02333	14.1
114.01823	17.5
115.70026	11.9
125.02338	15.0
131.04517	39.7
171.10196	13.1
183.10217	18.8
185.11801	12.9
199.09749	37.7
200.40453	11.3
201.11258	19.8
206.61197	10.4
207.10234	11.3
211.13393	42.2
214.13820	14.4
225.11153	9.7
230.02734	13.0
235.08250	19.6
253.09216	29.2
277.21619	76.5
291.19675	22.6
293.21115	16.2
327.23016	16.3
397.13406	77.5
415.14639	49.6
591.65576	11.9
641.67255	11.0
649.93994	14.1
711.34155	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	711.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01579	3.7
56.26501	3.3
59.01249	24.2
69.24702	3.6
70.00536	19.8
71.01255	12.5
74.26437	3.6
85.02870	4.1
85.23867	3.5
89.02307	24.8
101.02309	15.0
113.02301	9.1
119.03411	5.7
125.02335	4.8
131.22543	3.6
143.03452	4.8
163.14116	3.6
179.05534	7.5
179.47287	3.4
235.08188	10.9
264.65131	3.7
277.21716	65.6
278.22192	6.3
291.42889	3.7
299.14120	4.0
305.08612	7.1
325.11993	4.1
397.13535	100.0
398.13727	6.3
415.14606	31.9
711.33887	24.0
712.33868	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	711.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	29.6
69.60676	2.1
71.01256	15.5
73.02833	3.1
83.01247	3.9
85.02799	3.8
87.00739	2.6
89.02315	18.9
95.01339	2.1
100.55707	1.9
101.02317	17.4
113.02332	5.7
119.03365	3.7
125.02343	8.2
161.04393	3.7
179.05542	4.9
235.08185	7.4
253.21806	16.9
271.26425	1.9
277.21750	38.9
278.22040	4.4
333.43195	1.9
397.13504	100.0
398.13989	5.5
415.14542	30.4
454.63107	2.3
547.04303	2.1
675.35925	3.5
711.33667	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	710.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48747	1.8
57.03314	5.0
59.01258	13.9
61.98708	59.1
70.64460	3.9
71.01249	9.3
72.60115	1.8
72.99194	3.0
73.02812	2.3
75.00759	18.2
85.02827	17.9
87.00780	3.3
89.02306	2.1
96.99869	2.0
99.00768	2.8
113.02335	17.4
116.82265	1.7
168.98175	1.8
178.47618	1.5
211.90205	1.9
246.76396	2.0
284.45789	2.2
603.39215	5.4
641.35260	2.1
647.38019	100.0
648.38452	19.7
707.57782	2.6
711.36676	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	711.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41166	0.7
50.50951	0.7
55.01758	1.1
57.58466	0.9
59.01254	100.0
71.01255	8.6
73.02824	3.5
83.01268	1.2
85.02827	5.0
98.20586	2.8
99.00762	1.6
101.02325	6.0
113.02337	3.8
114.97909	0.8
117.24881	0.8
131.84451	0.8
142.66695	0.9
143.03375	1.1
160.03972	1.3
161.04456	3.9
230.32080	0.9
269.10291	14.2
311.11258	3.0
528.02362	1.1
595.76672	0.9
640.96210	0.8
678.90735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79303	1.1
57.03313	4.2
59.01250	2.5
61.98703	44.4
69.36309	2.1
69.36726	8.2
71.01253	5.6
72.99174	2.6
75.00750	15.7
85.02815	13.5
87.00773	2.5
95.01290	1.2
99.00751	2.9
107.37682	1.1
107.91148	0.9
112.01532	1.5
113.02339	11.4
115.00211	1.5
154.86104	1.0
157.01286	1.4
175.02383	1.4
185.79625	1.0
254.14990	1.0
290.05951	1.1
294.57465	1.1
321.06143	1.1
471.34964	5.2
647.37982	100.0
648.38190	17.8
669.36157	4.6
669.86041	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	710.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.98706	100.0
71.01260	0.4
71.15387	0.5
80.31007	0.2
83.57225	0.2
85.02836	0.3
144.69287	0.2
183.13847	0.2
199.15385	0.2
270.82837	0.2
472.42413	0.2
517.67700	0.2
539.42566	0.2
647.38318	0.2
651.86969	0.2
680.68054	0.2
709.32300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.0
56.10280	0.4
57.03331	5.0
58.00466	3.1
59.01252	100.0
60.01601	1.2
67.01772	0.6
68.99696	0.6
69.03355	1.7
69.54568	0.3
70.72836	1.1
71.01254	70.7
72.01598	0.8
72.99185	4.7
73.02818	14.8
75.00751	1.3
77.20689	0.3
81.03343	0.8
83.01255	9.5
83.04886	0.4
84.02060	0.6
85.02825	30.5
85.99992	1.1
86.03176	0.7
87.00751	6.0
87.04406	0.5
88.49701	0.4
89.02317	28.7
89.07863	0.3
90.02675	0.4
93.06995	1.4
95.01263	7.1
96.01598	0.4
96.95899	1.3
97.02824	3.0
99.00766	6.5
99.04392	0.4
100.49525	0.3
101.02324	40.7
102.02694	0.5
111.00749	2.9
111.08076	1.5
111.95634	0.4
112.01583	0.9
113.02332	34.2
114.02691	0.5
115.03878	0.4
116.92757	0.7
119.03395	9.9
119.04923	0.8
123.08103	0.6
124.01566	1.6
125.02319	5.6
129.01828	0.9
131.03415	1.7
134.03659	0.5
135.08060	1.2
139.03926	0.6
141.01823	0.6
142.02559	0.4
143.03406	5.4
145.02847	0.5
149.04492	1.1
158.65639	0.4
159.02882	2.5
160.01616	0.7
161.04472	10.7
161.05852	0.6
163.03947	0.5
175.03951	0.7
179.05533	2.5
193.04979	0.5
197.15501	0.9
205.03369	0.5
213.18515	2.2
227.03441	0.7
253.14482	1.6
255.03021	1.2
255.19566	0.6
267.07178	1.0
284.03320	1.1
285.03897	0.5
343.28653	1.2
357.22946	1.0
375.23819	2.2
387.29947	0.4
451.30893	0.6
461.27789	0.5
469.31662	0.9
487.32782	15.2
488.33221	1.4
505.33850	14.0
506.33804	1.7
529.34143	1.0
547.35138	0.6
575.33643	0.4
581.32953	0.4
601.35980	0.7
613.35986	1.0
649.38025	79.0
650.38385	14.6
665.35345	7.6
666.35986	2.0
667.39099	62.7
668.39435	10.8
709.40454	12.4
710.40558	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	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.7
59.01250	16.1
59.60840	1.0
60.88115	1.1
61.98731	1.3
71.01250	8.0
73.02837	1.6
76.63490	1.1
78.95758	1.6
80.96375	1.4
83.04885	2.9
85.02843	2.1
87.00768	2.2
89.02297	3.7
95.01300	1.0
95.04908	2.5
97.06473	10.1
99.00756	1.3
101.02333	5.4
103.29305	1.0
113.02293	3.1
122.08282	1.2
149.52901	1.0
151.11183	27.8
152.99521	2.7
161.04494	1.2
169.12265	63.2
170.12556	3.9
195.10188	4.6
211.13362	1.3
213.11279	15.6
235.08203	2.5
253.09268	3.9
277.21729	77.6
278.22006	8.1
279.23300	5.6
431.19144	4.1
449.20251	3.1
709.41687	100.0
710.41992	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
57.34624	0.7
59.01250	9.7
60.07729	0.7
62.29819	0.7
68.86272	0.9
69.18085	0.7
70.89887	2.3
71.01241	6.9
73.02804	1.2
78.95781	1.7
80.96396	1.0
82.11433	0.7
83.04893	0.8
85.02798	0.8
87.00750	1.3
88.38990	0.8
89.02314	4.0
97.06458	2.3
101.02314	4.3
105.47141	0.7
110.69809	0.8
113.02338	2.8
119.03372	1.1
119.61968	0.8
133.10088	0.9
151.11194	12.7
152.99527	2.0
161.04456	1.7
169.12256	100.0
170.12608	3.6
195.10162	2.0
211.13409	0.8
213.11263	14.8
225.29320	0.8
228.92958	0.9
235.08205	2.1
242.33737	0.8
253.09262	3.4
277.21713	32.1
278.22025	3.1
279.23169	1.0
307.66046	0.9
332.44907	0.9
332.87830	0.9
431.18994	2.4
449.20221	11.3
618.96802	0.8
654.03680	1.0
709.41650	73.1
710.41803	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	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73582	0.5
57.03318	0.7
59.01252	0.7
63.96106	1.2
66.20661	0.5
69.03313	0.9
69.93034	2.9
71.01257	7.8
73.02813	2.1
78.98460	6.5
79.95608	12.1
80.96393	80.1
81.03329	1.1
85.02822	2.7
87.00748	2.8
94.97961	17.1
96.95885	1.7
97.02824	1.1
99.00776	0.9
101.02305	2.9
103.28466	0.6
106.97953	4.4
122.97478	2.7
125.02338	3.9
127.03901	0.7
134.97481	4.5
136.99037	1.7
148.99046	7.5
152.98538	6.2
164.98538	12.4
171.10161	2.5
206.99617	2.3
225.00682	17.9
255.23260	1.7
279.23212	1.2
292.24457	0.6
453.14194	2.6
533.24646	0.5
537.27374	1.1
640.46954	0.5
709.38379	100.0
710.38647	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	709.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72061	0.7
55.01757	4.0
57.03331	4.2
58.00458	3.4
59.01252	100.0
60.01588	0.8
61.98692	0.7
65.23336	0.9
69.03328	2.2
71.01255	64.6
71.58987	1.5
72.01595	1.3
72.99178	5.6
73.02823	13.1
74.03108	0.8
75.00748	3.6
78.95776	1.0
81.03311	1.8
83.01257	11.6
83.04873	1.4
85.02433	0.8
85.02826	28.7
87.00747	6.3
89.02323	30.6
90.02692	0.9
93.06978	1.1
95.01258	7.3
96.95878	1.7
97.02814	3.7
99.00750	6.8
99.04434	1.0
101.02327	44.3
102.48164	0.7
111.00771	2.8
111.08038	0.8
113.02330	34.0
114.02639	1.6
119.03398	10.8
124.01517	1.6
125.02322	7.1
129.01857	1.3
131.03375	2.3
135.02881	1.4
143.03445	5.5
145.02892	0.9
159.02901	2.4
161.04457	7.8
171.10225	2.0
179.05600	4.0
209.11729	1.2
213.18594	4.0
217.39223	1.1
249.06317	0.9
253.14366	2.0
267.07352	1.1
284.03226	1.3
309.20868	1.4
343.28650	1.7
357.22891	1.6
375.23849	3.7
469.31540	1.8
471.33362	1.0
487.32721	14.1
488.32779	1.4
496.41626	0.8
505.33850	15.0
506.34409	1.6
517.30060	1.4
529.33984	1.1
530.35077	1.2
575.34052	1.2
649.38019	84.7
650.38324	13.9
665.35321	5.0
666.35516	1.7
667.39093	72.8
668.39435	12.5
677.33929	1.1
709.41071	9.1
710.40692	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.4
63.74107	0.7
69.39030	6.8
71.01248	4.1
78.95783	0.8
80.96390	1.0
89.02316	1.7
97.10593	0.7
101.02329	1.9
102.96818	0.7
108.94778	0.6
113.02322	1.1
147.61406	0.7
152.99431	0.7
161.04460	1.2
183.13806	6.5
193.12259	0.9
211.13338	100.0
212.13673	5.9
219.53868	1.0
235.08101	1.1
253.09230	6.4
277.21729	57.7
278.22128	6.8
447.22159	1.9
565.85138	0.8
707.36188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01251	4.5
61.26006	0.4
61.98703	100.0
71.01266	2.3
71.57260	0.6
72.99161	1.0
75.00755	4.8
85.02821	4.4
87.00761	0.6
89.02338	0.6
99.00810	0.6
105.18196	0.5
111.00764	0.6
113.02315	2.4
117.01793	0.4
171.10208	0.4
211.13431	0.7
224.13496	0.5
247.86449	0.4
451.32507	0.8
469.33395	2.2
645.36389	24.0
646.36639	5.1
667.35260	0.8
679.65869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03129	0.7
59.07554	0.8
62.91784	0.8
63.96097	1.0
70.89071	1.7
70.89442	1.7
71.01268	6.4
72.78400	0.8
73.02811	1.4
78.98466	5.3
79.74372	0.8
79.95609	13.3
80.96392	66.3
85.02829	3.1
87.00738	2.0
94.97968	15.7
96.95873	1.6
97.02857	1.3
101.02309	2.7
101.86040	0.9
106.97953	3.7
122.97501	1.8
125.02341	3.4
127.03850	0.8
130.63275	0.7
134.16792	0.8
134.97484	4.2
136.99052	1.1
148.99049	5.7
152.98497	5.8
164.98558	11.5
171.10178	1.9
206.99620	2.8
211.29243	0.8
225.00697	14.9
226.00832	1.0
255.23235	1.0
259.37067	0.8
279.23273	11.0
282.63461	0.9
453.14630	1.9
537.27618	1.3
709.38385	100.0
710.38550	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.0
71.01271	2.7
73.02828	0.9
78.95788	5.2
80.20849	0.7
82.90044	0.6
85.02811	1.2
89.02332	1.4
99.66901	0.6
101.02353	2.5
112.77313	0.7
113.02391	1.2
114.18838	0.7
152.99498	6.8
155.95944	0.6
158.06609	0.7
161.04485	1.5
163.11203	0.7
181.12282	1.1
183.13899	1.2
207.10365	1.3
209.11864	2.7
210.12184	1.9
211.13347	22.9
212.13670	1.0
225.11270	3.1
229.32039	1.1
235.08203	0.9
243.12445	1.4
253.09407	2.7
277.21725	59.4
278.22025	7.2
279.23108	1.3
283.01212	0.6
291.23743	0.8
308.54233	0.7
387.20297	3.3
388.20651	0.8
447.22418	0.9
453.15491	1.1
471.16275	4.0
543.12036	0.7
615.42407	0.7
705.29993	0.8
706.80438	0.8
707.37366	4.5
708.37549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.0
60.20390	0.3
69.03331	0.4
69.09331	0.2
71.01250	2.3
71.48415	0.2
71.48774	0.4
73.02803	0.4
75.69633	0.2
78.95787	0.4
83.01247	0.3
83.04900	0.3
85.02831	0.7
87.00755	0.3
89.02328	2.1
95.01291	0.3
101.02329	2.2
113.02306	1.0
119.03365	0.4
128.28326	0.2
143.03389	0.3
145.04977	0.2
152.99475	0.3
161.04478	0.7
163.11192	0.2
167.10753	0.3
167.14323	0.7
179.05536	0.2
183.13843	6.4
183.15286	0.2
184.14221	0.6
193.12265	1.8
201.28995	0.2
211.13345	100.0
212.13710	4.9
228.28563	0.2
233.22615	0.2
235.08247	1.4
253.09294	6.5
254.09712	0.3
277.21732	54.6
278.22086	4.6
306.18625	0.3
429.21262	0.6
447.22391	3.3
453.15216	0.5
513.30981	0.3
580.54987	0.2
689.36798	0.3
707.36182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40520	0.6
59.01252	100.0
60.01601	0.8
71.01260	1.7
78.95788	2.5
79.95151	0.6
85.02847	0.8
89.02332	1.1
97.02833	0.7
97.56121	0.6
97.92929	0.6
113.02332	0.8
152.99530	2.4
183.13918	2.0
207.10187	1.1
209.11726	0.8
211.13359	17.5
212.13710	1.2
225.11264	0.8
229.50206	0.7
235.08247	1.3
244.16470	0.6
253.09387	1.5
277.21713	52.8
278.22046	4.0
279.23334	1.0
315.06152	0.7
342.19919	0.6
387.19873	0.7
455.17084	1.2
471.16287	1.3
707.37433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01586	1.8
61.98726	1.2
71.01266	3.9
73.02811	1.5
78.80109	0.7
78.95775	7.5
83.04895	0.7
89.02317	2.5
96.20722	0.7
98.19738	1.2
101.02345	2.6
113.02328	1.6
131.91479	0.7
135.96715	0.7
152.99498	13.1
161.04425	1.2
171.00572	1.6
171.10257	0.9
179.05498	1.0
183.13887	5.0
193.12366	1.6
207.10184	2.7
210.12131	1.2
211.13342	74.1
212.13702	4.3
225.11270	5.7
229.34633	0.7
229.75438	1.0
235.08134	1.2
243.12363	2.1
253.09273	5.2
277.21722	72.2
278.22049	9.2
279.22949	1.1
291.23303	3.0
379.11740	1.3
386.76184	0.8
447.22195	1.8
453.15366	2.3
471.16415	5.0
707.37476	6.7
708.38104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03320	1.9
58.00472	1.5
59.01254	30.9
65.74270	0.5
69.03322	2.7
71.01257	24.0
71.04892	0.7
72.99174	2.5
73.02834	4.1
75.00749	1.5
80.02551	0.6
81.03342	1.7
83.01267	3.0
83.04902	1.2
85.02832	5.2
87.00757	5.7
89.02318	21.1
94.24556	0.6
95.01265	1.6
96.95901	1.3
97.02824	7.0
97.06495	0.7
99.00771	2.2
101.02329	16.0
109.02838	0.7
109.06510	1.1
111.08041	4.8
113.02333	10.4
119.03400	7.0
119.08569	1.0
123.04458	0.9
125.02340	6.2
125.09614	2.1
131.03423	1.3
137.09601	2.9
143.03416	3.6
153.09077	0.9
153.12752	0.8
161.04459	3.7
163.11160	1.0
165.12781	3.5
169.12283	2.1
171.10216	8.5
179.05531	5.6
179.14453	1.0
181.12270	1.3
183.13873	1.6
185.04497	0.9
185.11729	1.0
193.12195	1.5
197.09962	1.2
197.11774	23.6
198.12010	1.3
199.13300	1.0
209.11742	2.2
211.13376	5.3
221.06595	1.6
223.13434	0.9
225.11253	0.7
227.12848	2.5
229.39856	0.7
235.08182	5.4
247.20700	2.9
251.16444	1.2
253.09164	2.8
263.07660	1.3
263.20004	0.9
267.07254	1.6
273.18546	1.5
277.09149	0.7
287.07687	1.4
291.19659	35.2
292.20062	3.8
305.08893	1.0
309.20718	100.0
310.21045	11.4
323.09634	0.6
397.13486	29.8
398.13785	3.5
415.14563	35.9
416.15103	3.1
495.87552	0.7
545.22375	2.3
546.22504	0.7
707.34900	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03318	2.0
58.00462	1.8
59.01253	28.4
69.03328	2.0
71.01254	21.5
72.99175	2.7
73.02827	4.2
83.01257	1.8
83.04906	1.2
85.02818	4.4
87.00756	4.8
89.02317	18.4
95.01269	1.8
97.02831	3.5
99.00748	1.6
101.02319	14.7
109.06509	1.0
111.00728	0.6
111.08051	13.7
113.02335	9.4
119.03385	6.4
121.88850	0.6
125.02366	5.9
127.07498	0.9
131.03381	0.9
133.04996	0.9
139.11244	0.8
141.01851	0.6
143.03363	3.5
149.04443	0.9
153.12700	1.3
160.11543	0.7
161.04489	3.3
169.04884	0.6
169.12280	5.7
171.10124	1.6
179.05537	4.0
181.12183	1.3
183.13832	1.7
185.04405	0.6
197.11761	62.3
198.12082	2.4
199.13313	3.4
211.13397	6.2
221.06648	1.2
225.14882	0.9
227.12785	1.8
229.49184	0.6
235.08195	5.5
247.20738	0.7
249.06166	1.0
253.09215	1.7
263.07693	1.0
263.20099	3.7
265.18076	1.2
267.07220	3.5
291.19641	14.6
292.19965	1.6
305.08878	1.0
309.20700	100.0
310.20984	7.9
360.69788	0.6
397.13501	21.4
398.13782	1.9
415.14557	37.1
416.14868	2.1
443.32532	0.6
515.28479	1.5
663.37604	2.0
707.34631	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	707.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23954	0.7
59.01252	100.0
62.43231	0.7
64.55003	0.6
68.41664	0.7
69.57638	6.1
71.01250	8.0
73.02832	2.1
83.01268	1.8
85.02835	3.7
86.57976	0.6
89.02347	2.3
95.01327	1.2
98.20510	1.7
99.00729	1.6
101.02324	9.4
113.02348	4.4
119.03447	1.1
125.02334	0.8
143.03510	0.8
150.03255	0.8
153.09209	0.8
159.02931	1.2
161.04512	5.3
207.93617	0.8
235.11830	21.6
236.12186	0.9
277.12979	7.0
313.50638	0.7
314.00168	0.7
315.14587	1.5
320.91434	0.8
385.18826	1.2
495.12436	0.8
601.89056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27305	0.3
57.03319	0.6
58.00480	0.7
59.01251	100.0
60.01600	0.9
60.71258	0.3
62.56598	0.4
70.88804	1.0
71.01255	5.9
73.02822	3.7
75.00757	0.6
78.95785	1.2
81.03307	0.5
83.01252	0.4
83.04897	7.2
84.02041	0.4
85.02837	1.1
87.00774	0.6
89.02318	1.8
101.02325	3.3
113.02322	2.8
113.03452	2.3
118.84097	0.3
119.03395	1.1
121.06476	1.2
125.05978	0.8
127.07501	0.4
139.07541	1.0
143.03384	0.5
145.02837	0.4
157.02486	0.5
161.04471	1.1
163.11200	0.7
164.60760	0.4
205.12216	1.8
205.19609	0.5
209.11774	13.7
210.12120	0.5
223.13327	0.5
253.09157	0.9
255.21091	0.4
259.20660	0.5
273.22211	3.3
277.21722	57.4
278.22070	4.6
291.23306	28.2
292.23572	2.0
301.21695	3.9
305.20956	0.4
319.18933	0.6
319.22748	12.2
320.23071	0.7
321.80981	0.4
331.22775	0.6
349.23819	1.9
373.23746	0.6
379.24747	0.8
705.45068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68378	0.7
54.42540	0.8
57.03301	1.1
58.83341	0.7
59.01258	10.0
60.75200	0.7
61.98715	1.5
71.01259	7.8
73.02826	1.7
80.02533	1.3
80.96410	2.4
83.01276	1.3
83.04897	6.1
84.02074	1.3
85.02822	2.0
87.00762	1.9
89.02316	4.6
94.51013	0.7
95.01283	1.3
96.95885	0.7
97.06480	1.4
98.20548	2.5
101.02311	6.9
111.08056	1.7
113.02341	3.7
117.74950	0.8
119.03418	2.3
161.04524	1.2
163.11217	4.2
165.12787	10.4
169.12274	1.6
181.12265	1.1
183.13835	100.0
184.14227	6.2
191.10635	0.9
191.53317	0.8
207.10201	1.1
209.11778	76.8
210.12045	4.9
211.13297	2.1
225.00508	0.9
227.12856	17.6
228.13133	1.3
235.08264	4.4
253.09233	5.6
269.58014	0.9
288.87704	0.8
445.20825	1.9
463.21756	4.7
615.34320	1.8
655.33954	2.9
659.32367	1.0
673.34381	83.2
674.34619	15.8
689.88818	0.9
705.37994	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	705.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64212	0.3
58.00461	0.7
59.01252	100.0
60.01594	0.4
67.22133	0.3
71.01250	5.8
72.99171	0.5
73.02824	3.7
78.95782	1.2
81.03336	0.4
83.01266	0.5
83.04902	6.5
85.02844	1.2
89.02319	2.0
92.17179	0.4
95.01227	0.4
101.02336	2.4
103.88328	0.4
107.03881	0.3
110.98418	0.6
111.08014	0.4
113.02328	2.7
119.03382	1.1
121.06499	1.1
123.53056	0.4
125.02348	0.8
125.05985	1.0
127.07544	0.4
137.43900	0.3
139.07599	0.8
139.35519	0.4
143.03400	0.4
152.99393	0.3
161.04468	1.3
163.11140	0.8
203.40546	0.4
205.12340	0.6
209.11765	19.8
210.12079	0.9
229.31067	0.4
253.09242	1.1
257.22723	0.5
263.23743	0.6
273.22183	2.4
277.21722	60.2
278.22073	4.9
291.23309	22.7
292.23672	2.0
301.21741	2.5
319.22769	9.3
320.22983	0.6
331.22650	0.8
349.23822	1.1
373.23920	0.6
379.24997	0.9
621.98035	0.4
705.43518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.1
59.01250	3.1
70.03481	11.9
71.01241	7.8
75.00757	25.9
85.02828	29.6
87.00764	4.4
99.00734	4.5
107.25754	2.2
112.01519	2.8
113.02356	20.1
114.90849	2.7
123.68951	2.5
151.78276	2.5
348.85034	2.7
471.34799	9.5
633.98828	2.6
647.37939	48.4
648.38544	6.8
705.33832	100.0
706.33911	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	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03315	2.4
59.01251	14.2
65.03816	1.3
65.41830	0.6
69.62713	1.4
69.63129	3.8
71.01253	8.5
71.04890	3.4
72.99166	0.9
73.02801	1.9
75.00724	2.4
79.78181	0.7
83.01260	1.2
83.04872	1.2
85.02824	3.6
87.00734	2.6
89.02322	7.4
94.54860	0.6
95.01244	1.2
95.04868	1.0
96.95889	14.6
97.02839	5.6
97.06465	4.2
99.00758	28.3
101.02334	7.6
105.63468	0.6
109.06474	1.5
111.04375	0.9
113.02336	4.4
113.89841	0.6
116.92706	0.9
119.03357	1.4
119.08536	1.5
121.06479	1.9
123.08030	2.0
125.09615	10.8
125.30083	0.7
127.11206	0.8
127.15828	0.6
131.03415	0.9
135.08080	3.6
136.05183	0.7
142.02614	2.1
147.58868	0.6
153.12714	1.1
161.04478	1.0
161.09616	1.4
163.11186	10.6
171.10199	3.9
174.33913	0.7
181.12251	18.6
185.11752	1.9
197.11720	1.8
198.03600	0.7
199.13327	12.6
201.11391	0.8
205.27512	0.7
207.10204	37.2
208.10556	1.4
209.11787	1.3
211.13463	0.8
225.11278	49.0
226.11711	3.6
233.15440	1.1
235.08264	1.1
235.13307	1.6
243.12335	33.6
244.12672	1.8
249.06244	0.9
267.07190	5.8
289.18118	5.4
307.19250	5.4
397.13541	4.3
415.14511	2.1
417.14041	2.4
457.33505	0.8
461.20160	2.6
479.21307	14.4
480.21780	1.7
495.13303	0.8
513.27380	1.0
543.28333	2.0
546.00098	0.8
661.35437	2.0
687.32147	4.6
688.31738	1.1
705.33386	100.0
706.33667	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	703.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.0
57.03329	11.3
59.01249	13.2
71.01255	4.3
72.99170	2.3
73.02803	1.2
75.00732	0.8
83.01268	1.8
84.02040	2.9
85.02824	82.1
86.03167	0.8
87.00751	1.4
90.02841	0.7
95.01268	19.5
98.20551	2.2
99.00770	0.8
101.02264	0.7
103.00274	4.0
113.02332	100.0
114.02649	1.3
123.88064	0.6
139.00223	0.9
143.15799	0.7
175.02422	12.6
177.03967	0.7
235.04614	2.4
270.67935	0.7
387.40942	0.8
439.32001	0.8
485.32697	3.5
631.54437	0.8
703.36963	55.0
704.37323	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	703.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03328	7.7
59.01252	11.4
61.98708	3.7
66.67494	0.5
67.01755	0.6
71.01263	5.1
71.58167	0.8
72.99168	3.0
73.02818	0.9
78.95775	1.0
83.01248	1.7
84.02029	1.8
85.02825	73.9
86.03172	0.9
87.00740	1.7
89.02306	0.8
94.84708	0.5
95.01267	15.3
99.00742	1.1
101.02312	0.9
103.00263	3.1
113.02335	100.0
114.02661	2.0
129.01875	0.8
131.03368	0.9
139.00273	1.5
139.91611	0.6
145.02852	1.3
175.02406	18.2
175.03941	0.9
176.02689	0.7
235.04536	3.4
341.49881	0.6
423.32532	0.6
441.33887	0.9
485.32651	2.1
599.27405	0.7
617.29584	0.6
659.38446	1.0
703.37048	68.2
704.37494	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	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
57.03319	5.6
58.00482	3.8
59.01252	61.8
61.98700	1.2
69.03320	3.7
71.01258	43.7
71.04887	1.7
71.49657	2.3
72.99188	4.3
73.02812	9.9
75.00741	2.1
80.02567	1.8
80.96400	1.5
81.03337	4.3
83.01257	7.1
83.04898	3.5
85.02830	12.7
87.00755	9.3
89.02319	47.3
93.03317	2.1
95.01275	3.4
95.04883	3.1
96.95887	2.0
97.02843	11.1
97.06465	6.7
99.00751	9.5
99.04352	1.1
101.02324	35.6
102.23145	1.2
103.37369	1.1
108.02003	1.2
109.02866	1.2
109.06489	2.0
110.03694	1.3
111.00805	1.5
111.04371	2.4
113.02340	18.2
119.03387	14.4
119.04839	1.9
119.08636	1.2
121.02914	1.3
123.04394	4.3
123.08037	3.0
125.02348	11.2
125.09611	9.6
131.03442	2.4
135.08017	1.5
137.09637	2.8
141.01842	1.4
141.12776	2.2
142.02618	1.3
143.03403	5.6
145.02841	3.4
149.04393	1.3
151.11194	2.9
161.04472	7.6
163.07562	1.2
163.11212	11.5
165.12782	5.8
167.10699	1.2
169.12256	1.7
171.10138	2.3
179.05547	9.8
179.10672	2.5
181.12276	8.9
182.12636	1.4
183.13875	4.2
185.11790	8.6
191.10629	2.9
191.14313	7.1
199.13306	3.4
207.10228	13.0
209.11760	28.2
210.12129	2.3
211.13344	20.4
217.15927	1.8
221.06573	3.0
225.11272	15.0
227.12866	6.3
235.08237	6.7
237.11304	8.3
243.12328	4.8
245.19084	20.9
253.09274	3.5
263.07773	2.0
263.20157	7.0
271.16928	3.2
277.09164	1.5
277.21756	2.0
281.21295	1.6
289.18097	79.2
290.18350	4.8
307.19144	100.0
308.19409	7.7
325.20178	2.5
394.98813	1.2
397.13477	40.0
398.13834	2.0
415.14584	33.6
416.15106	2.1
440.74609	1.3
457.27982	6.8
461.20132	1.6
479.20731	1.2
494.24985	1.5
499.28900	2.2
507.29626	2.6
552.74072	1.2
607.26050	3.7
673.34375	30.3
674.34705	4.8
705.33759	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	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29504	1.1
55.01757	1.5
57.03328	2.8
59.01254	19.6
69.03329	4.2
71.01259	12.6
71.04910	3.2
71.58051	1.8
72.99188	2.8
73.02815	4.2
75.00755	1.7
83.01270	1.5
83.04910	2.6
85.02838	7.3
87.00771	4.5
89.02310	7.1
96.95900	13.6
97.02838	3.0
97.06451	2.7
99.00749	14.4
100.91936	1.3
101.02342	6.9
108.37032	1.5
113.02369	6.9
119.03375	2.4
123.08078	2.7
125.02367	2.0
125.09625	7.6
135.04445	1.3
139.03923	1.5
139.48584	1.3
144.83571	1.5
150.03198	1.7
153.12733	1.7
161.09631	2.3
163.11229	5.9
171.10150	2.2
179.10661	4.1
181.12267	12.5
186.41299	1.5
197.11777	39.6
198.12206	2.8
199.13380	6.2
207.10236	18.0
209.11743	2.8
215.09502	2.1
225.11284	29.3
235.08316	1.7
241.10738	3.3
243.12340	10.5
267.07388	2.5
268.13309	1.7
287.16687	2.9
305.17523	4.2
320.66376	1.4
337.15594	3.7
365.18719	1.9
391.16458	2.9
397.13635	1.8
432.58582	1.4
453.16940	1.9
477.19806	2.4
479.21329	5.1
659.32794	4.2
660.34833	1.6
685.31293	2.3
703.32086	100.0
704.32373	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	702.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04754	0.1
59.01249	0.5
61.98706	100.0
62.98417	0.1
67.50314	0.1
71.01258	0.3
78.95802	0.2
79.52364	0.1
86.40386	0.2
96.95907	0.1
101.02386	0.2
107.24822	0.1
112.01324	0.1
113.02289	0.1
169.83730	0.1
171.10210	0.2
197.11824	0.2
209.11852	0.3
211.13394	0.2
315.07706	0.2
338.12814	0.2
642.35663	0.2
671.32813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.9
59.01252	13.7
63.96102	2.1
66.24963	0.7
71.01254	11.9
72.99158	1.3
73.02827	3.4
78.95766	1.7
78.98454	6.2
79.95605	16.4
80.96389	86.0
81.03342	1.3
83.01261	1.2
85.02826	5.4
87.00748	4.0
89.02300	1.0
94.97380	1.2
94.97961	20.0
95.01229	0.8
96.95878	3.3
97.02850	1.9
98.20638	1.4
101.02325	4.1
106.97960	4.0
113.02306	3.3
121.02895	0.8
122.97429	3.2
125.02347	4.7
127.03874	1.1
134.97481	5.2
136.99031	1.7
148.97942	0.8
148.99052	7.5
152.98520	7.4
161.04366	0.8
164.97284	1.2
164.98560	13.5
168.04214	0.9
171.10150	1.6
174.01620	0.8
183.13748	0.9
183.95129	0.7
186.67720	0.8
189.33311	0.7
195.13829	0.7
197.11894	0.8
206.99583	2.8
209.11728	0.8
214.74503	0.8
221.56612	0.7
225.00696	17.3
226.00989	0.8
240.92365	0.7
349.90527	0.8
474.60895	0.8
497.27551	1.3
629.33051	1.6
632.27704	0.7
703.29944	100.0
704.30371	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	701.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.3
59.01258	14.3
71.01253	19.5
71.58126	1.3
72.99195	6.6
72.99525	1.1
73.02820	1.6
75.00742	16.6
83.01219	1.1
85.02826	23.6
87.00738	7.3
89.02306	5.3
93.03363	1.5
95.01260	4.7
96.95892	2.8
99.00769	11.0
101.02333	1.3
103.00232	1.6
113.02329	17.0
114.62373	1.2
115.00230	3.3
117.01826	2.0
129.01801	2.6
139.11191	32.4
140.11414	1.4
152.44095	1.1
157.01332	1.2
167.67998	1.0
175.02371	2.2
183.10219	12.3
184.10480	1.4
201.11266	41.3
202.11580	1.8
227.46516	1.1
249.06114	7.5
255.02914	3.4
267.07236	2.7
275.15063	3.5
284.03220	4.8
368.52008	1.2
389.18027	1.5
451.18454	2.1
525.21790	12.6
564.04077	1.2
619.69171	2.2
620.19604	1.4
639.25354	1.8
683.24304	2.6
701.25116	100.0
702.25421	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	701.4483
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01244	4.2
60.25215	0.9
71.01237	4.4
76.14236	0.9
85.02840	1.1
87.00745	1.0
89.02309	1.3
92.27551	0.8
97.06481	0.9
101.02326	3.8
103.98986	0.8
113.02345	1.1
126.89392	0.9
165.12729	6.9
183.13832	55.1
184.14076	1.7
209.11824	1.4
227.12865	3.0
235.08047	1.7
253.09189	4.8
255.23274	100.0
256.23654	7.4
281.19269	0.9
281.26108	1.0
292.96933	0.8
430.00412	1.0
445.20850	1.3
455.11105	1.1
463.22040	1.6
701.44775	58.5
702.45288	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	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
67.30526	0.4
69.39812	4.9
79.10900	0.5
113.94105	0.5
120.19398	0.5
139.76140	0.5
172.35905	0.5
254.95982	0.6
295.22943	0.8
437.12567	1.5
438.13580	4.6
438.27975	0.6
439.13931	1.1
451.14462	1.1
452.14722	2.5
453.15405	0.7
463.13589	0.7
467.13065	0.7
480.14749	0.9
481.15192	33.2
482.15625	6.4
495.16785	12.5
496.17245	2.6
497.18375	5.9
498.18393	0.7
514.15271	2.8
525.13837	1.0
539.15759	2.2
540.16510	9.3
541.16962	1.0
554.18079	2.3
555.18854	54.8
556.19159	11.2
572.15625	12.3
573.15759	2.2
586.17212	5.4
587.17078	1.4
609.20215	1.6
627.21063	1.2
641.22583	24.6
642.22906	6.2
701.24701	43.8
702.25092	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.84914	1.7
70.18014	3.0
70.18415	5.4
76.18716	2.2
104.93755	2.2
115.68650	1.8
120.91330	1.8
164.19916	1.7
177.80449	1.9
195.39485	1.9
209.11769	3.0
255.23169	4.4
315.25504	2.0
315.63309	1.9
331.27698	1.8
351.65286	1.7
438.13416	2.5
452.15048	2.4
470.12408	2.2
481.15237	37.7
482.15771	7.8
495.17163	10.9
497.18304	4.3
540.16382	11.3
555.18829	77.2
556.19037	14.0
567.18823	3.9
569.20721	2.6
572.15649	17.8
573.15765	2.4
586.16968	6.4
611.65814	2.2
641.22589	33.7
642.22589	5.9
701.24554	50.2
702.24414	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	699.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84490	0.5
55.01776	0.7
56.74023	0.5
57.03302	0.7
58.00468	0.7
59.01242	3.8
66.29816	0.5
71.01253	3.9
73.02814	1.0
78.24514	0.5
80.96508	0.5
83.01250	0.6
85.02831	1.1
87.00774	1.0
89.02315	3.5
97.06467	1.0
98.19779	1.4
101.02336	3.8
105.84516	0.5
111.08074	1.4
113.02326	2.0
119.03391	0.7
120.97015	0.5
145.05019	0.6
148.11734	0.5
161.04489	1.5
165.12762	7.2
183.13831	50.5
184.14169	2.6
209.11700	2.8
227.12852	4.5
229.49498	0.5
235.08167	2.2
253.09341	5.5
253.21709	100.0
254.22055	7.2
255.23383	1.5
293.21317	1.0
396.33945	0.5
445.20743	2.2
463.21582	1.8
552.72369	0.6
699.43237	53.4
700.43530	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	699.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52534	0.4
53.50345	0.4
56.58910	0.5
57.03326	2.0
58.00476	0.7
59.01252	5.8
64.02486	0.4
64.76658	0.4
69.03321	0.4
70.09072	0.8
70.09480	1.8
71.01250	5.1
73.02843	1.1
78.95785	0.5
83.04865	0.5
85.02819	1.1
86.98049	0.5
87.00764	0.9
89.02317	4.4
95.04909	0.5
97.06463	4.4
98.19809	0.5
98.28773	0.5
101.02341	3.8
111.08049	4.4
113.02336	2.2
113.74525	0.4
119.03388	1.5
123.08054	2.9
125.09615	34.4
126.09959	0.9
127.11148	1.4
129.91133	0.5
143.03404	0.6
143.10669	0.8
145.05011	0.5
153.09128	0.9
153.12718	0.5
161.04456	1.8
167.10721	0.6
169.08606	1.1
169.12244	1.9
171.10184	100.0
172.10518	2.8
179.05525	0.7
181.12317	0.6
183.13828	0.7
187.09682	25.5
188.10037	0.9
195.13907	0.8
197.11760	23.0
198.12164	0.7
199.13301	1.7
211.13336	3.0
227.13016	0.8
235.08209	4.7
253.09242	12.9
261.13492	0.5
263.20111	1.9
273.18677	0.8
275.20160	0.9
291.19669	12.7
292.19922	1.1
293.21317	2.7
309.20709	29.3
310.20883	2.2
331.46118	0.4
405.17688	1.8
407.19308	1.6
423.18774	5.6
527.28015	0.7
537.33478	0.5
545.29944	0.5
699.39587	29.9
700.40094	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	697.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
58.00480	0.8
59.01252	5.3
71.01254	3.9
71.57594	0.8
73.02810	1.5
83.01283	0.6
83.75960	0.4
85.02837	1.4
87.00755	1.0
89.02331	2.8
101.02330	4.1
113.02345	1.8
119.03370	1.1
125.09621	2.8
126.40172	0.4
127.11185	5.2
128.11497	0.5
128.60071	0.4
133.04947	0.6
137.09584	0.8
139.11211	0.9
147.46159	0.4
155.10706	1.7
161.04431	2.6
165.09177	1.9
171.10187	3.0
179.05519	0.5
183.10141	1.1
199.09708	1.9
201.11267	100.0
202.11591	4.1
211.13223	0.6
232.01135	0.4
235.08202	6.2
253.06680	0.9
253.09280	15.3
254.09583	0.9
262.08170	0.4
277.21738	69.0
278.22116	5.9
311.22290	2.8
312.23041	0.4
329.23291	0.9
405.17410	0.6
419.19250	1.0
433.32739	0.6
437.20337	0.8
443.31799	2.6
461.32642	1.5
606.95612	0.4
721.04675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
58.00484	0.4
58.79718	0.2
59.01251	3.5
59.75052	0.2
69.03335	0.5
71.01254	3.0
71.04855	0.3
73.02824	0.7
83.01209	0.3
83.04879	0.3
85.02827	0.8
86.50946	0.2
87.00761	0.4
89.02316	2.4
97.02824	1.9
97.06471	0.5
98.20591	0.8
101.02334	2.5
111.08071	2.0
113.02338	1.7
119.03403	0.9
123.08025	0.3
125.02326	0.3
125.09613	2.3
127.11185	2.0
133.04976	0.5
137.09590	0.6
145.04950	0.4
146.26465	0.3
153.09097	0.8
153.12737	0.4
161.04497	1.2
163.11104	0.4
165.12766	1.1
167.10739	0.4
169.12244	1.0
171.10187	100.0
172.10530	3.9
179.05545	0.6
181.12321	0.4
183.13850	0.6
185.11797	0.4
187.09668	0.9
193.12201	0.3
197.11768	13.5
198.12131	0.5
199.13370	0.8
204.96869	0.3
209.11789	0.6
211.13290	2.0
227.12837	1.1
230.05086	0.3
235.08203	3.4
247.20667	0.9
249.15056	0.3
253.09271	10.2
254.09764	0.4
261.11087	0.4
262.11874	1.0
263.20258	0.6
265.18063	0.4
273.18478	0.4
291.19669	16.5
292.20013	1.0
293.20734	0.3
309.20709	29.9
310.21002	2.2
331.18988	1.2
367.16577	0.3
389.15106	0.3
407.19312	1.2
408.88809	0.3
463.30817	0.6
527.28583	0.3
545.29413	0.4
586.16156	0.3
699.39636	0.9
706.78876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	19.6
59.01243	11.4
63.86349	6.9
68.53053	7.5
69.46487	59.2
71.01273	8.1
85.02348	8.4
85.02824	100.0
89.35895	7.1
94.75227	6.1
129.01826	9.9
143.71870	5.7
147.02908	8.7
191.01918	56.1
209.02925	18.5
302.25360	6.4
341.11026	11.1
345.03259	7.0
355.06610	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	697.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18979	0.5
55.69889	0.5
57.03318	0.5
59.01250	6.4
61.39055	0.4
70.87995	1.5
70.88374	0.4
71.01260	4.1
72.99185	0.9
73.02822	0.9
75.00748	1.4
83.01254	0.7
83.25617	0.5
85.02820	2.3
87.00741	1.0
89.02296	1.1
93.03341	1.1
96.95889	0.7
99.00748	0.7
101.02329	2.4
102.88165	0.6
108.02063	2.5
109.02837	1.6
113.02316	2.0
119.03403	0.5
121.02842	3.2
123.04400	2.1
125.02309	0.9
134.03625	1.0
135.04439	2.2
136.01569	21.9
137.02377	3.9
143.04994	0.6
145.02841	2.4
146.03641	0.5
147.04337	0.6
149.02353	0.7
149.05998	0.6
150.03133	2.0
151.03918	21.6
152.04262	1.1
158.03673	0.7
159.04372	1.6
160.05113	0.6
161.02423	0.7
161.05981	2.2
162.03140	0.7
163.03860	1.2
165.05469	1.2
172.05206	2.1
173.05977	2.3
174.03148	0.6
175.03943	2.3
175.07545	0.5
176.04738	1.1
177.05490	1.6
187.03897	1.1
189.05534	3.8
190.06319	3.5
191.06934	0.9
193.04973	1.5
201.05405	0.8
221.19118	1.2
224.04762	0.7
225.05492	1.1
226.06264	0.6
227.03476	0.6
239.07051	0.6
240.04266	0.8
241.05002	1.8
242.05655	0.7
249.05479	0.6
250.06474	0.6
251.07173	0.6
253.05048	3.7
254.05750	1.1
255.06726	0.6
264.04138	0.9
265.05063	1.7
265.08679	0.6
266.05801	1.5
267.06665	1.7
268.03806	0.6
268.07169	0.6
269.04532	7.8
270.05136	1.1
278.05746	0.6
279.06589	1.9
280.07425	2.6
281.04578	9.4
281.08136	1.6
282.05038	1.7
282.08798	0.5
283.06107	2.0
283.09753	0.5
283.19101	1.3
284.06897	6.0
285.07455	0.8
287.22284	1.4
291.06638	1.0
292.07422	0.9
293.08014	1.1
295.06235	1.2
295.09805	0.8
296.03778	0.9
296.06927	11.9
296.10275	1.1
297.07535	1.7
298.08524	1.1
299.09253	7.3
300.09763	0.5
301.20050	2.4
303.06573	0.8
305.08322	1.2
307.06268	0.6
307.09814	0.8
308.06400	0.6
309.07700	1.1
311.09241	6.7
312.09332	0.7
313.10681	1.4
321.07672	1.8
322.08197	0.7
323.09235	2.1
324.09921	1.5
335.09192	1.1
336.10083	3.1
337.11029	1.0
338.11542	1.0
339.12308	3.0
351.12469	1.1
355.12073	0.6
356.12683	0.8
381.13266	1.2
384.11636	0.5
399.14453	3.7
415.11877	1.0
427.11926	2.0
430.14426	1.1
431.26453	0.7
439.11987	0.6
442.14322	2.9
445.16525	1.6
449.27664	3.4
457.11990	0.7
457.16907	1.7
458.12985	0.6
459.14557	1.0
460.15128	1.8
471.14868	1.1
472.16089	2.5
473.15955	0.9
474.16516	0.7
475.18286	10.1
476.18170	0.9
485.16055	0.6
486.16452	0.6
487.13770	5.9
487.18344	3.1
490.16400	3.9
491.16995	0.8
491.28641	4.3
492.28723	0.7
502.16440	6.4
503.16492	0.9
505.18704	61.1
506.19049	10.1
517.18683	100.0
518.19073	15.6
518.26849	0.9
535.19476	4.8
536.20044	0.7
653.32990	1.9
697.34253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14469	2.1
58.56768	2.1
59.01247	17.2
61.97671	1.8
61.98682	3.0
67.66167	2.0
71.01254	10.9
73.02806	7.4
74.38893	2.2
76.09905	2.1
85.02812	2.7
87.00752	2.3
89.02309	7.7
101.02329	8.4
113.02338	7.0
116.92700	3.1
125.05936	2.2
125.09627	4.8
127.11117	2.6
137.09665	2.5
145.04938	2.1
155.10721	5.6
161.04457	4.7
165.12773	12.4
171.10168	22.8
179.05460	2.5
181.08617	4.3
183.13841	85.5
184.14143	4.2
197.20668	1.8
199.09686	82.4
199.13449	2.6
200.10025	3.4
209.11708	4.4
227.12726	5.9
235.08138	6.6
249.18581	100.0
250.18890	7.0
253.09262	15.6
277.18930	3.8
277.21725	51.0
278.22073	5.2
417.17612	3.7
435.18805	15.9
445.20782	2.5
528.46954	2.2
695.28107	4.8
695.40045	77.7
696.40192	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	695.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.1
65.00627	0.3
71.01254	2.8
71.04920	0.3
71.57073	0.7
73.02823	0.9
85.02817	1.1
89.02321	2.1
99.00737	0.4
101.02336	2.5
109.72243	0.4
110.10421	0.3
113.02345	1.5
119.03419	0.5
125.09646	0.4
127.11190	1.4
133.04880	0.4
161.04498	1.6
163.11169	0.6
169.12250	0.7
181.12294	3.0
197.11745	1.0
199.13338	100.0
200.13692	5.2
220.36938	0.4
235.08192	2.0
243.58403	0.4
253.09256	12.2
254.09601	0.7
277.21725	81.6
278.22092	5.6
370.53214	0.4
428.53555	0.4
459.34857	4.4
460.35233	0.5
632.43024	0.4
724.87598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76824	0.3
59.01253	100.0
60.01583	1.7
71.01270	0.8
89.35995	0.4
94.84489	0.3
101.02322	0.5
118.75583	0.4
119.04929	0.7
121.02868	1.9
124.44647	0.4
143.72153	0.4
162.06783	0.8
163.07463	0.6
171.10182	2.0
177.09135	0.5
179.55940	0.3
185.11848	0.5
191.03474	0.9
209.04579	1.5
230.65091	0.4
289.18118	0.8
315.90280	0.4
322.55597	0.4
450.95819	0.4
593.13812	0.6
697.42407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26625	0.3
59.01251	100.0
60.01578	1.1
61.98681	0.4
65.17506	0.4
78.95778	13.7
80.96405	1.4
98.19743	0.5
109.03513	0.4
121.16594	0.4
121.39765	0.4
149.00020	0.7
205.15929	1.2
229.48444	0.4
237.24580	0.4
246.49681	0.4
259.13269	0.4
289.60916	0.4
415.30490	0.5
695.31036	47.7
696.31354	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	695.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87120	1.7
59.01252	35.1
61.98689	8.3
68.48219	2.2
71.00929	2.2
71.01263	17.6
71.06782	1.8
71.58075	3.0
73.02822	2.6
83.01276	2.3
85.02797	4.9
89.02308	6.1
101.02308	6.5
113.02322	7.1
116.92725	1.9
121.02822	7.7
124.75336	1.7
138.96860	1.9
161.02335	3.4
162.06738	2.7
163.11218	2.3
165.01828	4.5
165.12744	4.9
166.11525	1.8
171.10126	2.9
177.09131	2.3
181.12262	2.9
183.13834	19.9
203.10492	4.1
205.12015	5.2
211.13408	3.0
219.09953	1.9
221.11528	3.2
223.13086	33.1
224.13414	2.6
230.02089	2.0
231.09969	4.9
235.09494	2.2
237.11118	8.8
247.09645	2.0
249.11076	97.6
250.11377	7.8
263.12659	4.6
265.10519	5.3
267.12155	38.7
447.23724	3.7
485.19775	5.7
635.41107	2.1
653.41309	3.1
677.35089	2.2
695.32379	100.0
696.32837	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	695.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73063	0.7
59.01247	5.8
60.43288	0.8
68.25385	0.7
69.61134	5.5
71.01249	4.6
72.99177	1.3
73.02802	2.0
75.00733	0.8
85.02805	2.8
89.02277	1.3
96.95900	1.4
99.00690	1.1
101.02314	2.5
102.64030	0.8
113.02322	1.7
121.02814	1.9
132.02063	26.3
133.02859	1.4
134.02661	1.5
134.03632	26.7
135.04262	1.2
145.02850	1.4
147.04440	0.8
147.26761	0.8
149.05966	5.2
160.01569	94.9
161.02019	3.0
163.03806	1.4
173.32268	0.9
174.03032	1.2
175.03923	97.7
176.04251	4.4
190.06235	1.2
192.45833	0.9
193.04977	20.9
194.05292	1.3
205.05025	0.9
217.05034	1.3
221.05981	1.0
222.05276	3.0
239.07089	0.9
240.97220	0.8
251.07077	1.5
261.05423	1.0
263.07059	2.6
267.06750	2.3
268.07205	0.8
269.08148	3.2
277.07077	1.5
279.06500	3.1
281.08188	4.7
282.08908	0.9
283.09686	1.4
291.06638	1.4
293.08069	2.6
294.08975	2.4
296.10370	1.3
297.07703	13.9
297.11014	1.7
308.10513	2.0
309.07587	23.4
309.11249	6.2
310.07901	1.0
312.10046	12.6
313.10367	1.9
323.09427	4.2
324.09955	11.9
325.10623	1.5
327.12384	20.7
328.12607	2.4
337.09271	100.0
338.09637	6.7
339.12357	14.8
340.12613	1.0
427.61752	0.9
497.50122	0.9
604.21698	1.0
609.26947	1.0
635.21277	1.2
695.23315	39.5
696.23688	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	695.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
63.32923	0.5
65.00199	1.1
71.01249	2.0
77.81704	0.6
85.02842	0.9
91.32077	0.6
96.95896	1.1
107.01273	1.4
108.02065	1.5
111.00749	0.7
121.36881	0.6
143.74564	0.6
148.01543	1.6
149.02193	0.7
151.00278	5.8
163.00371	0.9
164.01062	0.9
178.99818	3.0
199.03996	1.1
211.03877	0.6
215.03513	0.8
226.02644	1.8
227.03545	3.1
241.10771	0.7
243.02965	11.2
254.02245	1.9
255.02953	25.0
256.03284	1.6
271.02469	58.4
272.02927	5.1
273.04071	1.0
284.03278	1.0
299.01935	3.1
300.02734	100.0
301.03229	12.7
438.78430	0.6
609.14575	3.9
610.14935	0.8
651.15656	45.8
652.15851	6.7
695.23804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45679	0.6
59.01252	3.1
65.00194	0.6
71.01254	0.7
71.58145	0.9
85.02818	0.8
96.95874	0.6
106.35445	0.6
106.69225	0.7
107.01285	0.9
108.02057	1.7
117.19390	0.7
119.04897	0.7
121.02821	1.0
135.00708	0.8
143.04440	0.6
148.01566	1.3
151.00290	4.6
165.01794	0.9
178.99753	1.8
180.04567	0.6
195.06654	0.8
199.03902	0.8
226.02681	1.5
227.03452	2.2
243.02985	10.3
244.03366	0.6
254.02156	2.1
255.02977	25.1
256.03238	1.5
271.02478	56.3
272.02856	6.1
284.03204	1.3
299.01938	2.0
300.02750	100.0
301.03281	10.5
324.09940	0.7
609.14191	3.6
610.15790	0.6
651.15662	45.2
652.16364	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	694.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66482	0.2
57.03322	0.5
59.01247	1.0
61.98705	100.0
66.24014	0.2
67.13625	0.2
71.01260	0.6
75.00740	2.2
78.06461	0.2
79.71697	0.2
83.01270	0.5
85.02813	2.0
96.95849	0.2
98.19687	0.4
99.00744	0.3
113.02328	1.4
116.48566	0.3
139.60005	0.2
162.06871	0.3
179.98764	0.2
237.78401	0.2
293.21225	0.2
587.39722	0.4
631.38464	13.0
632.38788	2.9
632.47443	0.3
653.36743	0.3
657.47815	0.3
695.40417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.5
59.91616	0.8
63.02273	4.1
65.00195	8.8
69.22794	0.7
71.57944	1.1
79.08043	0.7
83.01270	4.7
93.03339	7.0
104.02048	0.7
107.01278	13.2
119.04063	1.5
119.04919	30.6
120.05219	1.4
125.02343	1.2
145.02881	0.8
151.00281	39.2
152.00652	1.4
165.01837	2.0
169.01387	5.2
177.01848	5.9
185.05878	0.8
197.11801	1.3
271.06119	100.0
272.06485	7.8
277.21707	2.5
313.07205	1.4
317.29114	0.8
331.51688	0.7
445.42163	0.7
471.84241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.3
59.01237	0.3
61.98705	100.0
66.35709	0.2
71.01250	0.5
73.24369	0.2
75.00742	2.1
81.84703	0.2
84.95270	0.2
85.02827	2.0
87.00728	0.3
95.01304	0.4
105.29440	0.3
112.77948	0.2
113.02326	1.0
229.29333	0.2
259.39401	0.2
455.35498	0.4
509.37137	0.2
530.84698	0.3
624.68311	0.3
631.38440	11.4
632.38885	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	693.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	6.2
59.01255	42.4
60.74385	1.2
64.53523	1.3
64.80706	1.4
69.03330	2.2
69.82704	1.3
70.57256	2.7
70.57595	2.4
71.01263	29.7
72.99198	10.0
73.02812	4.8
75.00755	22.0
78.19267	1.4
80.55546	1.4
83.04885	1.9
85.02829	36.4
87.00755	13.8
89.02346	6.9
92.88882	1.4
95.01260	7.2
99.00767	15.5
101.02281	1.9
103.00230	3.1
107.04919	2.2
113.02342	45.5
114.02625	1.6
115.00255	3.1
117.01840	3.5
117.03349	3.3
125.06075	1.9
129.01823	2.4
131.03387	2.3
132.02074	4.4
133.02817	4.2
134.03650	31.3
149.04439	1.5
149.05962	4.4
160.01581	21.9
161.02255	2.8
161.09618	2.7
161.13293	3.7
163.11179	2.3
168.48117	1.5
175.02396	6.0
175.03915	22.2
179.55286	1.4
187.11125	2.3
193.03459	2.0
193.05016	20.0
205.12245	2.9
206.52446	1.4
207.05049	2.7
214.34526	1.8
223.13246	2.6
231.05176	1.8
231.20572	1.4
249.06152	18.5
267.07193	73.6
268.07678	3.8
276.06146	1.6
309.42279	1.5
320.47818	1.5
375.29889	1.5
381.12213	1.7
403.96942	1.3
425.10876	4.3
443.11960	55.4
444.12457	4.2
455.19257	3.5
457.17535	1.7
486.75836	1.4
499.18237	3.1
517.19305	69.7
518.19342	8.3
531.20685	1.9
631.23853	2.5
633.22125	2.5
675.22961	2.9
693.23981	100.0
694.24249	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	693.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.3
59.01252	29.9
68.99703	1.4
69.03326	1.5
71.01256	26.9
72.99184	7.0
73.02828	3.4
73.33829	0.9
75.00749	17.6
83.01280	1.4
85.02824	28.3
87.00757	11.3
89.02318	7.6
91.03896	1.1
95.01252	8.3
99.00754	10.9
101.02341	1.9
103.00249	3.6
113.02331	40.1
115.00256	3.0
117.01829	2.1
117.03361	1.8
120.82270	1.0
129.01819	2.9
132.02086	2.6
133.02878	3.4
134.03635	26.5
134.96696	0.9
149.05978	3.3
160.01590	15.2
161.02313	3.5
161.09627	2.5
161.13277	3.4
163.11208	2.6
175.02414	3.7
175.03941	14.3
186.60997	1.1
187.11156	2.6
189.09161	2.0
193.03474	3.3
193.05003	15.6
205.12259	2.2
207.04973	2.0
207.10358	1.0
214.32172	0.9
221.01027	1.1
223.13356	3.0
229.41699	1.3
249.06134	15.9
267.07184	64.8
268.07516	2.6
341.15933	2.3
366.09799	1.3
381.11978	2.4
425.10938	4.3
443.11914	63.0
444.12411	5.0
455.19037	2.3
457.17255	2.4
474.54703	1.1
487.39774	1.2
499.18298	1.6
517.19312	59.7
518.19739	6.7
631.23315	2.1
633.21710	1.6
644.78192	1.0
675.22272	2.5
693.24030	100.0
693.34729	6.9
694.24219	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	693.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63516	1.4
52.82520	1.2
55.46590	1.5
55.46904	1.3
57.03321	7.0
59.01254	48.4
60.45848	1.1
69.03324	2.1
71.00893	2.3
71.01255	33.0
72.99165	7.5
73.02805	4.3
75.00747	19.2
83.01260	1.6
83.04895	1.4
85.02828	28.6
87.00755	12.8
88.21689	1.4
89.02321	10.4
91.03888	1.7
95.01257	6.6
98.95438	1.8
99.00761	14.5
100.58308	1.3
101.02332	6.6
102.29707	1.3
103.00249	3.4
111.00797	1.7
113.02338	47.9
114.02647	2.2
115.00285	1.6
117.01791	2.6
117.03346	1.7
119.03399	1.9
129.01828	1.5
131.03380	2.5
132.02048	2.6
133.02818	4.7
134.03641	28.8
149.04460	1.4
149.05927	2.6
157.01308	2.3
160.01579	20.8
161.02361	1.8
161.04401	1.8
161.09622	1.9
161.13188	2.8
163.11258	3.2
175.02371	4.7
175.03914	19.6
187.11298	2.6
189.09201	2.4
193.03404	2.5
193.05006	14.7
205.12238	5.0
207.04942	2.0
207.10150	2.6
223.13339	5.1
234.04913	1.4
249.06081	17.7
253.09344	1.4
267.07172	64.3
268.07266	2.1
298.30417	1.6
341.16061	1.7
366.09579	1.8
409.66388	1.5
425.10977	4.5
443.11929	48.1
444.12531	3.1
455.19263	3.5
457.17108	5.1
499.18152	4.0
517.19318	78.7
518.19659	7.8
575.11023	1.4
631.23901	1.5
633.21948	1.9
633.38483	8.5
651.40039	7.5
675.22626	2.5
684.88202	1.6
693.23993	100.0
694.24609	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	691.383
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16266	1.0
71.37638	1.8
78.95777	61.4
96.96834	5.3
142.08757	0.9
150.97884	0.9
152.99492	100.0
153.99860	0.9
165.12770	32.3
166.13115	1.8
171.00546	8.3
182.27098	0.8
183.13832	97.2
184.14183	4.9
191.10655	1.5
201.61856	0.8
209.11790	4.4
227.03117	4.6
227.12836	26.7
228.13150	1.9
245.04231	0.9
253.21623	0.9
318.91293	0.8
345.10898	0.9
363.12067	7.5
381.13437	1.2
437.15784	21.7
438.16394	1.3
455.16861	70.7
456.17102	5.2
500.18680	0.9
691.38281	58.7
692.38464	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	691.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03323	6.5
59.01253	29.3
60.01577	0.8
66.03621	0.7
67.01760	1.5
68.99683	1.1
71.01259	9.6
71.04891	2.0
72.99171	1.6
73.02817	2.2
75.00758	7.4
83.01261	3.5
85.02828	28.9
86.42561	0.7
87.00779	1.6
89.02309	2.8
95.01274	2.8
96.95889	4.3
97.02847	2.1
98.19753	1.3
98.95472	1.5
99.00784	3.1
99.92487	0.8
101.02331	2.3
108.96404	0.6
109.06452	0.8
111.00777	3.9
112.01534	1.5
113.02333	28.2
114.02688	1.3
116.92751	2.1
125.02350	1.1
127.85497	0.7
129.01859	1.1
139.00235	0.9
140.16139	1.0
171.10269	2.0
179.05562	0.9
183.14040	0.7
205.47308	0.7
209.11719	1.0
211.13344	1.8
218.46837	0.7
247.13379	0.8
249.18582	2.7
267.07089	1.9
275.20203	3.1
293.21219	8.9
388.20761	0.6
397.13626	4.1
415.14603	1.3
460.23892	0.9
471.34854	1.5
473.36279	11.8
474.36627	1.6
499.29031	1.7
501.35922	6.6
515.37164	1.0
527.37439	1.5
569.38440	1.3
587.39429	10.7
588.39899	2.4
631.38190	6.6
632.38843	1.1
647.34338	1.7
649.39716	8.8
650.39398	1.8
691.40686	100.0
692.41003	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01253	27.6
68.02930	0.9
69.03345	1.3
71.01259	13.8
72.99169	5.4
73.02847	5.3
75.00737	2.0
79.95604	4.0
83.01268	1.8
83.04913	2.1
84.02008	1.2
85.02825	7.5
87.00751	2.9
89.02326	8.0
95.01262	1.7
96.95895	100.0
97.06500	1.5
98.95451	1.2
99.00742	2.6
99.92471	1.5
101.02322	8.5
111.08032	1.3
113.02342	10.8
115.91934	2.6
116.92765	4.6
119.03400	2.2
123.08103	1.2
125.09572	2.1
127.11190	2.8
138.03075	0.9
139.11014	1.0
148.61435	0.8
149.04333	1.1
161.04448	2.6
163.11215	2.3
165.12804	7.8
171.10155	2.3
173.44052	0.9
181.08600	1.1
183.13840	61.1
184.14165	4.3
193.03433	1.7
199.09659	1.6
201.11273	30.9
202.11594	1.7
207.10283	0.9
209.11781	36.9
210.12038	1.9
211.13470	2.8
225.11304	1.7
227.12857	10.9
229.81918	1.1
235.08250	2.1
243.59070	0.9
249.06158	2.1
253.09309	5.9
267.07217	8.5
286.11609	1.0
291.47751	0.9
417.14160	2.3
442.91626	1.1
445.20880	2.0
463.21829	3.4
487.34329	14.1
488.34586	1.4
569.24457	1.1
631.36774	2.0
647.32990	24.9
648.33307	4.6
649.37805	1.8
654.69098	0.9
655.33270	1.7
673.34363	41.4
674.34595	6.6
691.35175	12.3
692.34808	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
58.00483	0.7
59.01256	22.9
59.11599	0.7
69.03301	1.0
71.01256	19.8
72.99171	1.5
73.02832	4.1
75.00754	0.8
83.01269	2.2
85.02827	3.6
87.00735	4.6
89.02311	13.7
92.62284	0.8
95.01274	1.0
97.02825	3.0
99.00777	1.1
101.02329	12.7
102.88998	0.7
109.06466	2.1
113.02333	5.6
116.78201	0.6
119.03387	3.6
121.10109	1.9
125.02366	4.7
129.64581	0.7
131.03458	0.8
136.39200	0.6
143.03377	2.0
149.42154	0.7
161.04483	2.7
163.11189	1.1
171.10263	4.4
179.05505	3.3
179.14351	1.0
195.13884	7.1
196.14429	0.8
207.10255	2.9
211.13341	2.1
221.06606	1.2
223.13347	4.9
225.11310	1.6
231.21246	0.8
235.08154	4.4
253.09315	2.6
256.13086	1.1
275.20151	6.8
291.19757	1.3
292.20148	0.8
293.21246	100.0
294.21594	8.9
305.08557	1.2
323.10172	0.8
397.13528	24.9
398.13898	1.3
415.14606	26.7
416.15005	2.7
486.33084	2.7
487.33502	4.3
529.34937	1.0
588.95935	0.9
691.35333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91259	0.3
53.07432	0.3
55.01764	0.5
57.03319	0.7
58.00467	0.7
58.18784	0.3
59.01255	17.3
64.05079	0.3
69.03329	1.2
69.41522	1.4
69.41946	1.9
71.01258	13.3
72.99185	0.9
73.02825	2.3
75.59383	0.4
81.03329	0.7
83.01242	1.1
83.04878	0.4
85.02832	2.8
85.52139	0.4
87.00758	2.9
89.02321	11.4
95.01255	0.8
97.02836	1.5
98.20522	0.6
101.02331	9.3
111.04424	0.5
111.08047	0.5
113.02345	5.2
113.09618	0.4
119.03400	3.6
125.02339	3.1
131.03365	0.4
141.01823	0.5
143.03400	1.6
161.04459	2.3
167.10718	0.4
179.05548	2.5
179.14319	1.1
195.13844	6.8
196.14479	1.1
205.12250	0.8
211.13402	0.8
217.07112	0.5
221.06570	0.7
223.13324	6.6
228.13638	0.5
235.08173	2.9
253.09270	1.0
256.13226	0.8
263.07626	0.6
270.40619	0.4
275.20190	3.7
287.07773	0.5
293.21234	100.0
294.21555	8.8
323.09650	0.7
326.44193	0.4
397.13513	21.0
398.13968	1.3
415.14584	24.1
416.14801	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	691.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
58.00446	0.2
59.01253	7.1
63.71785	0.2
69.48779	0.6
69.49203	0.7
71.01257	3.7
72.99187	0.6
73.02821	0.9
75.00771	0.4
76.14986	0.1
78.95802	0.2
79.95613	2.5
80.12060	0.1
82.49234	0.2
83.01253	0.5
85.02821	1.3
87.00705	0.3
89.02327	2.3
95.01241	0.2
96.95894	100.0
97.95842	0.4
97.96455	0.2
99.00767	0.3
101.02332	1.8
103.52360	0.2
113.02332	2.4
114.93288	0.6
116.92751	0.5
119.03391	1.1
122.51676	0.2
125.02360	0.2
131.03401	0.3
131.04445	0.2
143.03386	0.3
161.04482	0.5
171.10236	0.2
179.05498	0.6
180.68033	0.2
209.11807	0.4
211.13324	0.3
253.09612	0.2
267.07300	0.2
352.21631	0.2
443.15131	0.2
469.31943	0.4
489.34506	0.6
545.29968	0.4
549.36420	0.2
587.31744	0.2
605.31995	0.3
631.36963	1.8
647.33789	0.3
649.38074	2.5
650.38544	0.4
673.35187	0.2
691.25049	0.3
691.37604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03329	2.1
58.00465	2.6
59.01254	48.1
68.99745	0.9
69.03337	2.2
70.86798	2.8
71.01257	35.6
71.04901	2.6
72.99187	2.8
73.02817	6.4
75.00742	2.7
76.32523	1.0
81.03386	1.1
83.01258	3.6
83.04881	0.9
85.02830	6.3
87.00756	7.4
89.02319	26.2
95.01279	2.4
96.95921	1.5
97.02857	4.5
99.00757	2.8
101.02327	25.5
111.04408	1.0
113.02334	13.8
116.92744	2.1
119.03391	6.9
123.09073	0.8
125.02341	9.8
129.01791	1.1
131.03374	1.0
133.04985	1.4
137.18417	0.9
139.03963	1.2
143.03386	5.2
153.63422	1.0
161.04485	5.3
179.05516	6.3
183.13860	2.4
191.17989	1.0
193.03310	1.0
209.11592	1.0
211.13290	2.4
221.06683	1.5
221.15416	1.0
231.21101	2.5
235.08168	9.5
235.17012	40.3
236.17329	3.3
253.09261	2.4
267.07233	1.2
275.20157	49.3
276.20477	4.4
287.07779	2.6
293.21234	100.0
294.21524	8.2
305.08508	1.9
323.09692	1.3
347.28513	1.0
397.13498	60.3
398.13757	4.7
415.14566	40.3
416.15018	3.9
424.55872	1.1
457.28162	2.3
499.29141	6.5
500.29263	1.5
558.44080	0.9
647.32611	3.4
677.01398	1.2
691.34058	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	691.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23401	3.7
57.03324	45.0
57.42042	3.0
59.01251	40.5
66.61726	2.9
71.01254	34.6
71.58476	5.8
72.99178	10.9
73.02811	5.2
75.00753	28.0
76.54787	2.9
81.03339	6.9
84.64024	3.1
85.02817	26.3
87.00758	9.4
89.02336	5.7
95.01260	5.3
96.95885	5.1
99.00761	13.5
99.04419	14.5
101.02335	6.2
113.02344	24.0
121.02911	3.3
125.02295	5.7
149.02333	30.2
152.00987	3.8
161.04509	5.5
163.03944	3.6
164.04732	41.7
175.02380	5.3
179.07057	29.5
208.03732	6.1
222.05254	4.6
223.06140	10.2
231.05272	4.8
249.06140	43.1
263.12192	3.5
265.07230	5.1
267.89572	3.7
297.09769	9.0
339.10822	13.6
379.14139	3.8
547.16333	19.3
589.17706	43.9
590.17786	6.2
629.20715	24.8
691.20837	100.0
692.21082	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	691.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.8
60.99183	16.5
71.01243	0.8
71.57462	0.7
78.95764	2.9
87.00758	1.8
88.00285	1.8
88.98685	100.0
89.02319	9.8
89.99025	0.8
107.83254	0.7
113.02317	0.7
128.90895	0.6
147.86940	0.6
152.99547	1.5
163.46169	0.5
211.13400	0.9
277.21686	1.5
341.10944	1.3
391.52054	0.7
402.69064	0.7
695.70477	0.8
701.59467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03315	2.6
59.01253	22.4
60.50514	0.7
62.05386	0.7
65.70205	0.7
67.01742	0.7
68.99674	0.7
69.03318	1.0
71.01254	7.1
71.57629	1.3
75.00748	5.3
78.95742	0.8
83.01256	1.6
84.23488	0.6
85.02824	18.7
87.00739	2.3
89.02296	1.8
95.01260	3.7
96.95901	1.3
99.00755	7.5
101.02328	2.0
111.00766	1.5
112.01519	1.3
113.02325	19.1
124.14229	0.9
149.55338	0.6
149.58136	0.7
157.01303	1.5
165.12711	3.6
183.13832	31.8
184.14165	1.1
189.33975	0.7
193.12288	1.2
199.71037	0.7
209.11723	1.7
211.13339	38.1
212.13690	2.8
227.12846	2.7
235.08240	0.9
253.09241	2.4
423.32684	1.4
439.32208	2.1
447.22144	1.0
451.31915	0.9
453.33536	0.8
453.46161	0.8
463.21985	1.0
469.33127	2.5
471.35065	6.4
472.35434	1.4
499.34430	2.3
513.35522	0.9
527.12933	1.1
567.36798	1.5
585.37964	13.8
586.38147	2.4
604.29907	1.0
629.36951	11.7
630.37341	2.2
647.37872	4.6
657.34906	30.6
657.46045	1.6
658.35168	4.7
689.39032	100.0
690.39490	19.8
717.20105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29467	1.9
57.03326	43.0
57.61755	1.9
59.01254	29.6
59.28439	1.7
60.40356	1.7
64.14658	1.9
67.01748	2.1
68.99699	3.2
69.63454	15.6
71.01260	24.7
72.99176	9.2
73.02790	3.7
74.27442	1.9
75.00745	22.4
79.43630	2.1
80.07874	1.9
81.03326	9.0
85.02827	22.7
87.00745	8.0
89.02337	4.2
93.03330	4.0
95.01269	5.6
99.00762	12.8
99.04390	13.6
101.02323	7.9
111.00755	3.1
113.02341	23.3
117.01855	2.9
121.02800	2.5
137.61836	2.1
149.02344	23.9
150.03114	2.6
157.01430	1.9
161.04474	6.4
162.03052	2.2
163.03870	3.4
164.04703	51.2
165.05174	3.0
166.02588	3.1
175.02473	2.5
177.05504	2.4
179.07076	27.9
183.06577	4.4
208.03745	4.3
222.05270	3.1
223.06111	11.3
231.05103	2.8
249.06137	34.2
265.07095	4.8
267.07227	3.3
297.09760	9.8
339.10849	11.1
379.13934	4.0
467.10748	2.1
533.86627	1.9
547.16864	27.9
548.16589	5.7
588.38013	2.3
589.17859	41.6
590.17761	4.8
629.20740	27.3
630.20563	5.1
691.20844	100.0
692.20911	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	689.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35676	0.5
55.01740	0.9
57.03320	1.4
58.58022	0.4
59.01252	22.4
67.71374	0.5
71.01261	4.2
71.06758	0.9
71.07088	0.9
73.02817	1.5
75.00737	2.1
83.01277	0.7
85.02825	8.3
87.00743	1.5
89.02309	1.4
92.05581	0.5
94.97955	0.8
95.01273	0.8
96.95886	9.8
97.02767	0.5
99.00764	1.2
101.02305	1.5
113.02324	6.3
113.43502	0.5
116.92753	0.8
119.03407	0.5
121.02849	0.6
123.08051	1.1
134.05984	0.7
153.28603	0.6
165.12801	0.7
171.10196	2.0
183.13795	2.4
197.11736	0.6
207.10194	1.5
209.11908	2.6
211.13432	1.0
225.11272	1.7
227.12828	1.2
249.06114	0.9
253.09540	0.9
267.07257	1.8
379.86389	0.5
392.24860	0.5
396.21375	0.9
420.07510	0.6
463.21771	0.6
471.34827	1.3
497.27579	0.7
513.36041	4.8
514.36163	0.9
585.37976	100.0
586.38397	18.0
614.10858	0.6
629.36932	4.1
630.37274	1.0
645.34363	0.6
647.37939	2.3
671.32581	0.8
689.40393	6.4
690.39563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
64.12295	0.7
65.16897	0.6
66.75977	0.6
69.60483	4.2
71.01263	2.6
73.02829	1.8
73.46085	0.6
89.85702	0.6
92.56885	0.6
96.95902	0.9
101.02341	1.5
113.02274	0.6
143.50089	0.8
166.88100	0.8
183.13828	6.2
186.64418	0.6
209.11880	1.2
211.13344	5.6
227.12828	0.9
249.90427	0.7
258.86325	0.7
291.19598	1.3
336.53134	0.6
362.60742	0.7
397.75757	0.7
421.31198	1.5
423.32745	10.5
424.33130	1.9
439.32251	4.8
440.32343	0.8
441.33276	0.7
467.31503	3.4
481.32935	1.2
485.32770	89.6
486.33063	13.0
499.34268	2.1
511.52481	0.7
527.33606	4.0
528.34705	1.0
629.36877	1.0
657.34882	4.6
689.39130	100.0
690.39429	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	689.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03326	6.1
59.01248	8.2
64.37230	0.4
67.01756	1.1
69.17340	0.4
71.01254	12.1
71.57965	0.7
72.99182	2.9
73.02816	1.5
75.00748	27.5
75.80518	0.4
83.01260	1.4
84.02068	0.5
85.02825	26.9
86.03174	0.4
87.00761	3.4
89.02321	1.5
95.01258	2.7
95.79977	0.4
96.95886	6.4
99.00780	4.0
101.02320	1.5
111.00748	0.5
112.01547	1.4
113.02334	16.3
114.02637	0.7
115.00260	1.7
116.01068	0.5
117.01865	0.5
117.47491	0.4
118.86301	0.3
123.08045	1.2
129.01848	0.9
155.19206	0.4
157.01340	0.8
171.10175	1.1
175.02341	1.3
183.13805	1.3
189.12881	0.4
207.10097	0.5
209.11787	0.8
211.13374	0.4
225.11292	1.5
309.08817	0.4
448.91638	0.5
449.16068	0.5
481.33551	0.9
485.36655	2.4
513.31677	0.7
629.36499	0.8
645.36542	0.9
647.36890	0.5
689.39111	100.0
690.39435	16.8
717.49017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
57.03336	6.5
59.01253	23.4
59.01533	1.5
67.01772	0.8
67.98152	0.8
69.33430	7.9
69.33833	1.1
69.85909	0.8
69.87412	0.8
71.01254	8.3
72.99220	2.8
73.02838	1.4
75.00746	6.9
83.01266	4.1
85.02825	31.1
87.00790	2.0
89.02372	1.1
95.01263	5.0
96.95912	1.7
97.02885	1.9
99.00751	6.1
101.02333	2.0
111.00802	3.9
113.02328	31.4
123.08051	0.8
125.09698	1.9
163.11267	1.8
165.12860	2.2
171.10243	1.1
178.14894	0.8
181.12389	3.4
183.13829	12.4
207.10364	2.9
209.11784	1.2
225.11284	5.9
243.12505	3.0
245.67216	1.0
291.19727	1.6
352.84839	1.0
405.91544	1.0
463.22253	2.2
471.34851	13.5
472.35410	1.6
479.21722	1.3
483.22977	1.1
499.33987	4.7
549.83264	0.9
567.37347	1.8
585.37939	14.2
585.46014	1.0
586.38666	2.3
608.64417	0.9
629.36865	7.3
630.37109	1.2
645.35138	1.5
647.38074	9.5
647.47656	1.1
648.39990	1.3
671.33325	1.5
689.39600	100.0
690.39941	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	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01254	9.9
61.98719	1.2
71.01265	7.2
72.99195	0.9
78.68435	0.8
78.95805	0.8
85.02831	2.5
87.00784	1.1
89.02322	3.8
94.75043	0.8
96.95883	0.8
97.06448	1.1
98.20562	2.1
101.02335	5.1
111.08020	1.5
113.02313	3.8
119.03407	1.3
152.84435	0.9
161.04475	2.2
165.12766	8.5
167.14322	1.2
171.10268	1.2
183.13857	100.0
184.14259	5.5
189.81104	0.8
193.12280	3.2
209.11752	3.8
211.13359	94.7
212.13660	5.4
215.12910	0.9
227.12837	5.5
235.08221	3.3
253.09285	6.0
291.19662	2.1
305.63333	0.8
397.14166	1.1
445.21014	2.4
447.22473	3.8
463.22131	4.2
485.32669	4.1
657.34930	77.7
658.35291	13.8
689.38660	11.7
690.38843	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	689.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01248	14.1
70.43147	2.0
70.43498	1.1
71.01263	6.1
71.42299	0.7
75.00740	1.0
83.01272	0.9
83.04868	1.0
85.02812	3.7
87.00757	1.3
89.02325	3.8
96.95869	1.2
101.02319	5.1
110.96632	0.6
111.08017	1.2
113.02332	4.5
161.04501	1.9
165.12764	9.6
167.14226	0.8
183.13831	100.0
184.14175	6.3
193.12233	1.6
199.13269	0.8
209.11752	3.0
211.13339	95.3
212.13651	6.1
215.12781	3.5
227.12849	6.9
235.08244	3.7
253.09273	6.6
404.59540	0.7
410.65970	0.7
419.22888	1.0
421.62537	0.8
445.20731	1.9
447.22446	1.9
463.21906	4.4
471.34561	1.1
513.35724	3.0
585.37915	43.4
586.38458	8.2
647.37006	1.1
653.21124	0.9
657.34906	81.9
658.35266	15.6
689.38123	8.8
690.38074	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	689.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
58.06056	0.8
59.01254	16.9
70.47157	2.9
71.01241	7.0
77.96857	0.9
80.82999	0.7
85.02850	3.0
87.00765	1.1
87.37416	0.8
89.02341	3.5
95.01311	0.8
97.06470	0.9
101.02277	3.8
111.08022	1.0
113.02335	5.1
116.29163	0.8
119.03418	1.3
161.04495	1.4
165.12762	8.0
166.26035	0.8
171.06815	0.8
183.13841	100.0
184.14160	5.0
193.12328	1.9
199.13353	1.0
209.11749	2.8
211.13351	90.2
212.13638	5.0
215.12851	4.0
227.12883	5.7
235.08247	2.9
235.54678	0.8
253.09271	6.8
445.20883	2.1
447.22540	1.7
463.21817	3.8
485.32217	1.1
513.35803	2.6
585.37976	54.3
586.38696	11.6
629.37103	2.2
647.37952	1.0
657.34912	79.5
658.35400	13.1
689.38452	8.8
690.38190	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.3
61.98707	1.2
71.01266	7.1
71.57658	1.8
85.02836	2.6
87.00762	2.2
89.02325	3.3
96.91949	1.1
96.95912	1.2
97.06445	1.4
101.02325	4.0
111.08072	1.8
113.02338	4.0
119.03368	1.2
161.04523	1.8
161.98843	1.0
165.12770	9.7
167.14307	1.1
171.10184	1.1
183.13838	100.0
184.14133	4.7
193.12286	2.3
209.11798	4.3
211.13345	88.7
212.13719	6.5
225.11365	1.3
227.12968	4.6
235.08237	3.5
253.09357	7.0
271.09723	1.2
291.19675	1.9
445.20432	1.6
447.22580	2.3
463.22055	3.0
485.32489	2.4
534.97894	1.0
587.96960	1.1
657.34949	77.5
658.35168	14.1
689.38385	11.6
690.38220	2.3
703.57642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.2
59.01250	4.1
59.06264	1.6
64.07891	1.6
65.40729	1.6
71.01244	5.2
71.57305	2.7
72.99153	3.6
75.00361	2.6
75.00751	29.7
76.92786	1.7
83.01281	1.7
85.02821	21.6
87.00737	2.2
95.01260	3.9
99.00782	3.9
109.26140	1.5
109.74383	1.6
113.02353	12.6
124.50613	2.0
153.51364	1.7
157.01340	1.8
171.70422	1.6
209.11636	2.1
251.39702	1.9
299.04306	2.7
455.35242	6.9
555.37262	2.3
631.38483	21.1
632.38605	5.2
689.34259	100.0
690.34680	15.8
698.19690	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	689.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62152	0.4
55.01760	0.9
57.03336	1.8
57.45643	0.4
58.00462	1.2
59.01254	22.6
61.98711	0.8
65.34091	0.3
67.01749	0.4
68.99674	0.3
69.03324	1.1
71.01259	21.4
71.15926	0.5
71.16272	0.4
72.01566	0.4
72.99194	1.7
73.02826	2.9
75.00749	1.0
81.03344	0.9
83.01260	2.2
83.04900	1.3
85.02835	4.4
87.00752	4.4
89.02321	15.2
91.03931	0.4
93.03332	0.5
95.01264	1.4
95.04908	1.4
96.95921	1.0
97.02831	3.3
97.06502	0.6
99.00765	1.4
101.02323	14.6
109.02789	0.4
109.06487	1.1
111.04425	0.7
111.08044	8.8
113.02338	8.1
113.09584	0.4
113.64067	0.3
115.03874	0.3
119.03406	4.6
123.08010	0.5
125.02358	4.7
125.09653	0.5
131.03383	0.6
133.04945	0.6
135.11632	0.4
137.02422	0.4
137.09615	0.8
139.03992	0.4
139.11166	0.4
141.01909	0.5
143.03426	2.3
149.04471	0.5
149.09628	0.4
154.71611	0.3
160.33469	0.3
161.04469	3.5
165.12758	0.5
167.10751	1.6
171.10146	0.9
177.12773	1.9
179.05573	3.1
179.10658	1.4
183.13831	1.1
193.12212	0.4
195.13823	5.6
197.11707	0.5
201.11337	0.3
203.14294	0.7
207.10165	0.5
209.11772	1.8
211.13345	0.8
217.07098	0.7
221.06601	1.1
225.11275	0.4
227.12979	0.6
235.08183	4.9
239.79626	0.4
247.20650	2.6
253.09265	1.6
256.49017	0.4
263.07654	0.6
263.20197	0.4
267.07236	0.6
273.18579	1.5
277.09552	0.6
287.07764	0.9
291.19672	100.0
292.20007	7.4
305.08780	1.3
323.09772	0.7
379.12540	0.6
397.13501	37.1
398.13843	3.2
415.14594	22.9
416.14838	1.0
477.12598	0.4
485.32843	1.8
689.32751	4.6
690.33716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03329	1.9
58.00459	1.4
59.01254	24.3
61.98705	0.4
69.03337	1.4
69.37399	0.4
71.01256	20.0
72.99186	1.4
73.02827	2.7
75.00745	0.9
81.03330	0.5
83.01265	1.8
83.04884	0.6
85.02840	3.7
87.00755	3.9
87.04373	0.4
89.02322	16.7
95.01258	0.7
95.04912	0.6
96.95867	1.2
97.02837	2.6
97.06487	0.8
98.19662	0.8
99.00766	1.4
101.02328	15.2
109.06457	0.7
111.08054	5.9
113.02330	7.3
119.03391	4.9
121.02798	0.6
121.10129	3.2
123.00782	0.4
123.08079	0.7
125.02338	5.0
125.09599	2.1
131.03366	0.6
133.04958	0.5
137.09541	0.5
139.11209	0.6
143.03427	2.6
149.09595	0.6
161.04483	3.0
167.10677	1.4
171.10217	1.2
177.12805	1.2
178.76350	0.5
179.05537	3.5
179.10670	1.3
182.25241	0.5
185.11775	4.2
191.08482	0.4
195.13821	3.4
197.11734	1.0
203.38104	0.5
207.10139	0.6
209.11792	2.2
211.13332	2.4
217.07217	0.9
221.06619	1.6
223.13327	0.5
227.12981	0.7
235.08160	5.4
247.20665	1.6
253.09383	2.1
263.07724	1.1
263.20145	0.5
267.07187	0.5
273.18530	1.3
277.09271	0.5
287.07751	1.1
291.19666	100.0
292.20007	7.4
293.20987	0.5
305.08649	1.1
323.09848	0.9
379.12579	0.6
397.13513	34.7
398.13797	2.4
415.14612	21.3
416.14954	0.9
479.33832	0.4
485.32526	0.6
657.35223	0.5
689.33551	3.5
690.34460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
56.53571	0.7
57.03314	2.6
59.00991	1.1
59.01252	13.0
59.15695	0.9
70.30101	0.9
71.01250	9.3
71.04890	2.8
71.45200	1.9
73.02804	2.9
75.00760	1.7
83.04887	1.7
85.02821	3.2
87.00690	2.0
89.02310	4.8
93.76129	1.0
96.95868	2.5
97.02810	4.2
97.06441	3.9
99.00756	19.3
101.02328	6.0
109.06499	1.5
113.02351	4.2
119.03352	1.5
123.08011	1.6
125.09624	7.8
142.02583	1.4
153.12805	0.9
161.04443	1.9
163.11197	9.1
165.12738	4.9
165.42532	0.9
171.10185	1.0
175.81757	1.1
181.12257	19.7
183.13837	24.4
199.13322	13.4
207.10196	29.3
208.10555	1.6
209.11745	3.0
212.10788	1.1
221.22493	0.9
225.11273	43.4
226.11586	2.8
227.12762	2.7
243.12344	23.5
253.09140	1.4
273.18524	1.1
291.19705	7.1
377.46680	1.0
397.13443	3.5
415.14307	1.6
461.20139	2.7
463.21643	2.8
479.21378	11.0
480.21579	1.3
527.28577	2.1
585.38080	1.7
645.34656	9.9
646.34015	1.3
671.33209	6.3
689.33691	100.0
690.23022	1.7
690.34149	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	688.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.3
57.03322	3.8
59.01254	66.5
71.01254	35.9
71.04888	2.4
72.99186	3.4
73.02823	13.7
75.00756	2.8
80.89214	1.6
83.01263	3.5
85.02839	13.8
85.86830	1.7
87.00758	5.4
89.02313	14.4
95.01278	4.0
96.95894	84.8
97.06469	1.7
99.00760	3.8
101.02319	18.5
109.02782	1.8
110.69730	1.6
111.07992	1.6
113.02334	15.3
115.07574	2.7
119.03380	5.0
125.02280	3.1
131.03339	2.4
139.07658	1.8
155.07056	2.4
156.10159	4.2
158.11789	8.3
161.04457	6.0
165.12766	7.0
171.10204	6.7
172.17906	1.7
183.13843	10.8
185.11626	2.1
197.11781	2.4
208.14874	2.3
209.11775	7.3
225.11229	7.2
227.12846	12.3
229.14433	3.8
237.22134	2.2
267.07205	2.9
281.21219	4.2
320.17227	2.0
324.21484	2.4
331.61041	1.9
352.18625	1.8
367.31757	1.6
369.17889	1.6
373.14090	3.3
440.29950	2.3
446.53549	1.9
546.29053	4.8
584.34613	4.1
602.35309	6.2
617.31781	1.9
629.35913	4.5
644.36554	100.0
645.37170	13.0
647.36273	7.3
671.32416	5.3
688.32233	5.2
689.33148	7.2
690.31830	1.9
708.27661	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	689.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.2
59.01259	1.4
69.52266	0.2
71.01249	0.6
73.02802	0.3
75.00755	0.5
79.95615	3.0
83.02234	0.1
85.02838	0.6
86.10858	0.2
89.00742	0.2
89.01495	0.1
89.02307	0.3
96.95894	100.0
97.95814	0.4
98.20580	0.4
99.00757	0.4
101.02331	0.2
113.02316	0.7
114.93301	0.6
119.03507	0.3
138.05699	0.2
143.10602	0.2
157.28691	0.2
167.14256	0.2
181.12254	0.2
207.10120	0.3
209.11862	0.5
225.11287	0.4
229.14635	0.2
243.12367	0.2
263.49863	0.2
267.06979	0.2
335.57263	0.2
487.32510	0.5
513.20172	0.3
525.27466	0.3
543.28693	0.4
657.08124	0.2
689.34515	0.8
690.36847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.3
57.03322	3.8
59.01254	66.5
71.01254	35.9
71.04888	2.4
72.99186	3.4
73.02823	13.7
75.00756	2.8
80.89214	1.6
83.01263	3.5
85.02839	13.8
85.86830	1.7
87.00758	5.4
89.02313	14.4
95.01278	4.0
96.95894	84.8
97.06469	1.7
99.00760	3.8
101.02319	18.5
109.02782	1.8
110.69730	1.6
111.07992	1.6
113.02334	15.3
115.07574	2.7
119.03380	5.0
125.02280	3.1
131.03339	2.4
139.07658	1.8
155.07056	2.4
156.10159	4.2
158.11789	8.3
161.04457	6.0
165.12766	7.0
171.10204	6.7
172.17906	1.7
183.13843	10.8
185.11626	2.1
197.11781	2.4
208.14874	2.3
209.11775	7.3
225.11229	7.2
227.12846	12.3
229.14433	3.8
237.22134	2.2
267.07205	2.9
281.21219	4.2
320.17227	2.0
324.21484	2.4
331.61041	1.9
352.18625	1.8
367.31757	1.6
369.17889	1.6
373.14090	3.3
440.29950	2.3
446.53549	1.9
546.29053	4.8
584.34613	4.1
602.35309	6.2
617.31781	1.9
629.35913	4.5
644.36554	100.0
645.37170	13.0
647.36273	7.3
671.32416	5.3
688.32233	5.2
689.33148	7.2
690.31830	1.9
708.27661	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	687.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03316	3.8
59.01252	25.4
67.01761	1.1
68.34659	0.9
68.99687	0.9
69.03304	1.1
69.43814	2.0
69.44230	5.2
71.01256	9.3
72.99189	2.5
73.02817	1.6
75.00749	7.8
78.95831	0.8
78.98469	2.1
79.47926	0.8
79.95615	5.1
80.96397	26.2
83.01272	4.2
85.02826	22.1
87.00753	2.1
94.97970	5.3
95.01263	4.4
96.95886	1.3
99.00757	6.0
101.51646	0.8
111.00757	9.4
113.02335	19.4
122.97462	1.3
125.02335	1.4
134.75183	0.8
134.97502	1.9
139.00258	1.4
148.99049	2.5
152.98524	1.6
157.01372	1.5
164.98573	4.0
177.99948	0.8
183.13821	2.3
217.03658	1.3
225.00714	5.6
255.23320	0.8
281.64484	0.8
324.18347	0.8
423.32654	3.1
439.32111	1.7
451.32202	2.8
469.33224	14.8
470.33472	2.4
471.34875	7.5
472.34808	1.7
485.22089	0.9
497.32761	4.0
511.34375	1.4
565.35065	4.7
579.48047	1.0
583.36395	14.9
584.36719	3.7
627.35162	10.4
628.35608	1.8
645.36505	9.1
646.37244	1.9
687.38513	100.0
688.38770	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	687.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03324	4.6
59.01256	26.4
61.98720	1.9
67.01754	1.3
68.99734	2.0
69.03313	2.8
71.01257	12.5
72.99185	3.2
75.00764	8.0
78.98462	3.3
79.95606	5.5
80.96395	41.6
83.01264	5.0
85.02825	26.4
87.00755	2.9
94.97961	7.4
95.01258	5.5
99.00772	5.1
101.02361	1.9
106.97999	1.6
111.00790	8.8
113.02328	21.7
122.97473	2.4
123.04320	1.7
125.02305	1.7
133.91586	1.4
136.50725	1.4
139.00264	3.0
148.61455	1.4
148.99022	1.8
152.98531	3.6
164.98561	5.2
168.50462	1.6
225.00684	6.9
451.31717	1.8
469.33255	16.0
470.33789	3.5
471.35333	8.1
481.10281	1.8
497.32843	4.6
565.35461	3.6
583.36353	18.7
584.36902	5.7
616.83594	2.2
627.35156	8.5
628.36096	3.0
645.36609	9.7
646.36694	2.4
687.27979	15.4
687.39099	100.0
688.39496	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	687.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	6.8
68.99664	2.4
70.01453	10.5
71.01249	10.0
72.99211	2.3
75.00739	2.4
75.43121	2.3
78.95744	3.3
78.98436	9.2
79.95604	17.3
80.77288	2.0
80.96388	99.0
85.02814	5.9
86.54518	1.9
87.00744	4.0
94.97952	19.6
97.02849	3.4
98.19848	2.4
100.83048	2.0
101.02312	4.2
106.97916	2.4
109.78681	2.2
118.01154	2.1
122.17188	2.6
122.97482	2.7
125.02315	4.7
134.97453	5.7
142.04826	2.1
146.97375	2.1
148.99008	6.6
152.98463	7.9
164.98553	11.7
209.11790	2.6
222.18478	2.2
225.00739	19.5
274.11438	2.4
326.00485	2.3
334.00354	2.3
366.27338	2.4
480.11328	2.4
537.93774	2.3
633.00671	2.3
687.30298	100.0
688.30884	19.5
719.68158	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12270	0.7
57.03332	2.3
59.01254	9.2
69.03315	0.8
71.01253	12.2
72.99181	3.9
73.02816	1.0
75.00751	8.9
85.02831	11.8
87.00759	4.0
89.02297	2.0
95.01255	3.2
96.95899	1.1
99.00755	7.5
103.00246	1.4
111.08019	1.5
113.02335	11.4
115.00284	0.9
117.01844	1.5
127.70278	0.8
130.59268	0.8
157.01328	2.0
165.12782	11.7
175.02393	2.6
183.13835	96.8
184.14177	4.8
209.11752	2.8
227.12837	6.8
249.06117	1.2
265.94928	0.8
301.16461	1.4
415.19806	1.9
459.18756	1.6
477.19693	3.3
511.28961	6.2
625.32440	6.2
643.31824	1.1
649.38513	1.8
669.31293	3.5
687.32300	100.0
688.32690	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51147	1.0
57.03306	1.9
59.01258	22.4
69.03325	4.1
71.00967	0.8
71.01262	10.4
71.04882	1.7
71.57832	1.9
72.99171	1.1
73.02809	2.8
83.01247	1.3
83.04906	5.0
85.02820	4.3
87.00761	1.4
89.02302	3.7
95.19519	0.9
96.95878	4.2
97.06495	1.0
101.02348	6.1
111.92688	0.9
113.02338	4.9
119.03391	1.1
123.08010	1.3
125.09592	3.2
127.03911	10.7
139.03903	2.2
139.07500	2.0
142.87061	1.1
147.92572	0.9
148.35669	0.8
151.11194	1.2
153.12737	1.3
161.04442	1.5
161.09572	3.4
165.05515	2.2
165.12779	6.0
171.10182	2.1
179.10701	5.8
183.13846	64.2
184.14188	2.6
197.11775	51.6
198.12073	2.1
209.11739	4.9
211.13373	1.2
212.22646	0.9
223.13336	1.6
225.11238	1.2
227.12843	3.5
241.10797	3.6
253.09279	3.1
281.04541	1.0
407.24350	1.7
445.21002	1.1
463.21564	2.9
477.19717	1.7
511.22278	1.2
525.26538	1.6
601.39423	3.2
643.32373	5.9
669.31177	4.9
687.32208	100.0
688.22308	1.7
688.32715	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
59.01257	12.3
61.64679	1.2
62.93180	1.1
68.48515	1.0
69.25141	6.9
69.25557	4.1
71.01266	8.0
73.02827	2.0
80.26823	1.1
83.04894	1.8
85.02826	2.2
87.00761	1.6
88.23228	1.0
89.02312	5.4
97.06477	1.2
98.19753	2.2
101.02348	6.8
113.02333	3.1
119.03397	1.0
119.63032	1.0
128.02037	0.9
133.05025	1.1
159.11685	1.3
161.04520	1.5
165.12776	9.7
175.45586	1.3
177.12775	11.9
183.13838	95.7
184.14171	4.0
186.12744	1.1
195.13853	89.0
196.14146	5.3
209.11774	2.5
221.11877	2.0
227.12810	6.9
232.87692	1.2
235.08267	2.9
239.12924	5.8
253.09245	4.8
270.97934	1.2
286.93665	1.2
445.20688	3.0
457.20773	1.6
463.21744	6.5
475.21631	6.8
523.28906	1.9
641.35492	21.1
642.35883	3.2
667.33197	4.5
672.34253	1.2
685.34448	100.0
686.34656	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	685.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90208	4.4
53.06625	3.7
59.01269	32.0
59.89180	4.7
60.00798	4.2
64.59263	4.8
69.99764	17.5
70.00185	8.8
71.01259	29.3
78.95782	7.3
82.78635	5.0
85.02834	8.0
87.00770	7.5
89.02329	19.2
97.02874	5.3
101.02332	20.5
113.02351	11.7
119.03358	8.6
125.02413	7.6
135.96132	5.2
161.02400	4.6
172.64961	4.5
175.46423	5.4
179.05690	8.0
211.13263	12.5
227.20163	63.8
235.08228	13.7
397.13501	100.0
415.14685	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	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49384	0.2
59.01254	6.2
68.62657	0.2
69.03311	0.3
69.22137	0.6
69.22543	1.8
71.01256	4.7
72.99181	0.3
73.02831	1.0
80.91570	1.0
83.01250	0.6
85.02830	1.1
87.00764	1.3
89.02316	3.7
95.01246	0.3
97.02857	0.3
99.00773	0.3
99.04417	0.2
100.16709	0.2
101.02330	3.3
113.02331	2.1
113.09584	0.2
117.00318	0.6
119.03401	1.2
120.23857	0.2
121.10110	0.4
125.02365	0.4
125.09624	0.9
127.11189	1.4
133.04965	0.3
140.90923	0.2
141.00272	0.3
143.03430	0.5
143.62885	0.2
145.04964	0.4
147.89072	0.2
153.09171	0.4
161.04509	1.1
171.10190	100.0
172.10530	4.4
179.05508	1.0
179.14313	0.3
195.13855	2.4
196.14279	0.3
199.93225	0.2
223.13338	2.3
231.21098	0.3
235.08191	3.3
253.09274	8.6
254.09474	0.4
256.13101	0.4
265.21490	0.3
275.20172	5.8
276.20486	0.5
277.21732	3.9
278.22034	0.5
291.23291	0.3
293.21243	36.5
294.21545	3.6
323.09836	1.2
325.25150	0.2
341.10913	2.2
359.21814	0.3
359.25803	0.3
363.08734	0.3
369.24823	0.3
387.25256	1.5
405.26654	1.1
407.14410	0.2
407.18915	1.1
443.73242	0.2
447.31482	0.3
529.29602	0.3
623.34314	3.2
624.34839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	60.3
60.01574	1.1
65.95589	0.7
70.32796	2.3
71.01247	2.2
80.04931	1.6
94.06499	1.6
96.95889	8.4
104.04962	1.1
105.05721	2.1
106.06507	10.6
107.03660	4.3
113.02336	1.1
120.08083	31.6
121.05230	0.8
122.06010	56.9
123.06360	0.9
130.06497	1.2
132.04453	2.4
134.06020	63.7
135.06332	3.4
136.07597	2.0
137.04732	0.9
144.04463	0.8
146.06076	1.2
148.07530	1.0
152.07091	7.3
158.02321	1.3
158.06117	0.8
160.03917	2.4
164.07106	2.2
174.05554	2.1
174.09210	1.0
190.05032	2.9
191.14613	0.9
194.08186	3.2
200.07079	1.2
202.10670	0.8
208.09868	0.8
209.07289	0.8
210.07988	0.9
211.08727	1.1
211.12259	1.1
212.77240	0.8
221.10762	1.4
222.07831	1.0
223.08678	6.1
223.12242	1.5
224.09462	1.8
225.10283	2.8
227.11803	2.2
233.10841	0.9
235.08678	3.0
235.12347	2.0
236.09431	4.7
237.10262	8.9
238.11066	4.4
239.11850	6.0
241.13510	1.0
247.08766	1.0
248.09442	1.1
249.06706	2.3
249.10277	8.9
250.07463	1.0
250.10880	2.2
251.08238	3.3
251.11848	16.0
252.08858	0.8
252.12439	1.8
261.10355	1.5
262.07455	2.0
262.11014	1.1
263.08231	9.2
263.11807	3.5
264.09015	14.9
264.12134	1.6
265.09760	6.9
265.13333	1.6
266.10550	0.9
267.11240	1.5
269.12817	0.8
271.10791	1.7
275.08264	2.0
275.12067	0.8
276.09042	4.0
277.09784	14.3
277.12762	1.4
278.10553	9.7
279.11383	42.4
280.11948	6.0
281.09836	0.8
281.12830	1.7
283.10876	1.1
287.14005	4.9
289.09869	1.2
290.10529	2.2
291.11392	19.3
292.09009	1.3
292.12134	6.9
293.09503	1.1
293.12805	1.8
295.10831	3.1
305.09320	8.0
305.12979	7.2
306.09933	1.7
306.13489	1.3
307.11008	4.0
309.12436	1.0
311.14081	1.3
321.08945	1.5
322.09708	1.0
323.10422	6.3
324.11099	2.7
325.11368	0.8
326.12564	1.2
337.11917	4.7
342.16138	2.3
354.12372	0.9
355.12955	3.5
356.13879	2.4
356.17664	1.9
357.14438	1.0
358.19275	1.6
360.17203	2.1
365.11453	3.3
367.13184	1.1
368.13968	2.6
369.14853	1.3
370.15491	6.7
371.16177	3.0
382.11526	1.0
382.19556	1.6
383.12216	0.9
384.12848	1.5
384.17276	15.2
385.17838	4.4
386.18857	8.7
396.13513	1.4
397.14041	2.6
398.14853	2.7
398.19388	4.9
399.19485	2.2
402.18176	2.9
410.15167	1.8
411.15714	2.1
412.16568	4.3
414.18463	1.0
424.16815	0.9
425.17615	1.3
426.18240	18.3
427.18915	5.8
428.15875	1.3
430.17664	6.0
431.18414	2.1
442.17538	1.3
443.18307	1.5
444.19339	12.3
445.19608	1.6
452.16162	1.8
453.16925	1.8
456.16006	1.0
470.17105	5.0
471.17944	6.7
472.18423	1.3
486.20309	14.2
487.20816	2.7
489.18915	1.3
490.19586	6.7
502.19986	5.5
503.20474	1.3
507.24060	1.9
530.19305	46.6
531.20007	28.2
532.20374	3.4
549.25256	9.4
550.25317	1.4
562.21930	63.3
563.22223	11.1
567.26422	4.5
575.22540	1.2
593.23987	17.2
594.24573	2.4
609.27197	30.7
610.27557	4.6
611.24945	1.0
625.26721	2.5
635.25275	1.3
653.26166	100.0
654.26453	18.0
685.28925	21.9
685.40198	0.5
686.29358	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88823	0.7
55.01764	0.9
57.03322	5.9
58.57341	0.6
59.01257	5.3
60.33828	0.6
69.03332	1.3
70.32397	2.9
71.01261	4.0
73.02811	1.3
74.84469	0.6
83.01247	0.7
83.04903	1.1
85.02839	2.6
87.00746	2.8
89.02306	1.2
92.71839	0.6
93.05375	0.6
95.04906	2.5
97.06470	18.6
98.06842	0.8
98.19891	1.4
101.02335	4.8
106.20255	0.7
108.64865	0.6
113.02365	2.1
123.08056	10.4
125.09618	100.0
126.09946	3.4
143.05838	0.7
143.10727	1.0
145.04964	1.1
158.19189	0.7
161.04492	1.9
169.08620	2.0
176.23758	0.8
187.09692	41.8
188.10019	2.1
210.15404	0.7
230.17197	0.7
235.08188	4.0
253.09290	4.4
261.13574	0.9
277.21722	53.4
278.22107	5.1
405.17676	7.5
406.17786	0.9
423.18759	7.9
424.18784	0.7
450.05905	0.8
487.18265	0.8
523.78766	0.7
683.40100	93.6
684.40314	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	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74183	1.2
59.01249	52.6
65.00769	1.6
71.01256	14.0
72.99162	2.1
73.02821	3.5
83.01273	2.1
83.04904	2.5
85.02819	3.5
87.00767	5.6
89.02328	8.8
91.48873	1.5
95.01257	2.7
97.02885	1.6
98.20649	3.8
101.02315	9.2
109.06441	2.0
113.02325	7.0
120.60379	1.3
121.02845	4.2
145.04922	1.9
161.04405	4.4
163.83681	1.5
165.01845	4.1
171.10188	25.8
172.10509	3.0
203.14391	2.4
211.33287	1.5
235.08243	10.8
239.16580	1.8
253.09352	3.0
255.23154	2.9
275.20129	2.0
277.21619	4.2
279.23172	2.2
291.19617	2.6
293.21368	10.7
325.25479	4.4
341.24664	3.7
343.26483	4.7
351.23322	3.1
359.25839	7.7
361.27322	2.6
369.24374	11.8
387.25443	38.8
388.25504	2.9
405.21365	1.9
405.26514	26.2
406.27029	3.6
595.34424	2.1
623.34369	100.0
624.34943	18.6
696.02271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32074	0.4
56.85139	0.5
57.03322	3.6
59.01252	6.8
61.71929	0.4
69.03318	0.7
70.61466	0.9
71.01257	5.1
83.04430	0.5
83.04900	0.9
85.02845	1.2
87.00779	0.7
88.99814	0.6
89.02328	3.8
95.04903	1.2
97.06462	14.1
101.02360	3.2
113.02351	2.0
119.03403	0.8
120.90691	0.6
123.08055	7.4
125.09615	100.0
126.09944	4.1
143.10712	1.1
151.18999	0.4
161.04443	1.0
169.08614	1.8
179.05586	1.1
181.03279	0.6
187.09686	73.8
188.10023	3.2
211.09589	0.8
215.82280	0.5
233.71851	0.6
250.17485	0.5
253.09221	2.1
253.21696	1.0
261.13461	1.5
277.21732	15.9
278.22089	2.0
326.95010	0.5
393.17313	0.5
405.17618	6.5
423.18701	21.9
424.19070	1.6
683.40100	73.2
684.40485	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	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01254	55.0
71.01255	16.7
71.34516	2.2
72.05308	0.9
72.99202	1.1
73.02826	3.7
73.18241	0.9
76.38667	0.9
81.03299	1.1
83.01262	1.7
83.04886	1.9
85.02830	3.9
85.99958	1.3
87.00738	5.0
89.02334	6.7
95.01284	1.4
95.42152	1.2
101.02326	11.0
109.06459	1.8
111.08074	1.9
113.02314	5.3
119.03396	2.5
125.02281	1.5
125.09582	2.4
127.11126	2.0
137.09628	2.9
145.04977	3.0
153.09079	1.1
161.04422	4.7
171.10188	100.0
172.10498	4.0
179.05550	1.9
195.13855	3.4
203.14365	1.3
223.13342	2.7
235.08215	10.7
237.14857	1.5
239.16518	1.6
241.17982	1.5
253.09325	11.9
265.18027	1.3
275.17291	1.0
275.20120	7.2
276.20663	1.1
277.21729	1.6
293.21222	43.0
294.21512	2.3
315.26987	1.8
325.25446	3.1
333.28275	1.3
341.24762	4.1
343.26385	4.8
351.23416	2.8
359.26077	7.8
361.27469	1.9
369.24295	9.6
370.24695	1.8
387.25443	39.0
388.25876	3.7
405.26474	26.4
406.26910	3.4
407.19632	1.5
479.30121	1.6
595.35126	2.0
623.34363	85.3
624.34613	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	683.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78769	0.5
56.70708	0.4
57.03314	1.0
59.01262	3.7
59.68213	0.4
61.98687	0.5
71.01255	1.2
74.93627	0.5
78.95809	0.5
85.02835	0.9
89.93774	0.5
95.41866	0.5
98.02766	0.5
99.04401	0.7
109.46067	0.5
125.69424	0.4
135.08061	0.9
136.05141	0.6
137.05896	0.6
145.04913	0.8
149.06013	3.4
150.06773	30.3
151.07167	1.1
161.09589	0.5
162.06783	1.6
163.07559	24.7
163.30356	0.5
164.08289	2.6
165.36530	0.4
165.76918	0.5
171.10147	0.6
173.07993	0.4
176.08273	1.0
177.09143	2.5
177.25854	0.5
178.09932	2.5
179.10689	7.4
180.10988	0.6
197.02151	0.8
230.16692	0.8
277.21710	0.7
350.02313	0.6
423.32617	4.7
424.33127	0.7
439.31931	1.9
446.33810	0.7
461.36670	0.8
464.35144	7.9
465.35681	0.7
467.31586	1.8
477.35928	0.7
478.29657	1.2
478.36642	32.6
479.37402	57.5
480.37808	5.3
485.32751	45.5
485.38049	0.9
486.33008	7.0
499.34091	0.6
521.38513	3.1
522.38495	0.6
527.33936	0.8
601.26691	0.6
623.41449	3.7
641.42432	0.8
647.38000	100.0
648.38354	21.1
683.44147	7.3
684.44275	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	683.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23761	1.4
55.01765	12.6
57.03328	3.6
59.01255	58.0
61.01620	1.6
61.98695	4.7
68.99691	3.0
69.03348	2.3
69.50385	15.1
71.01257	29.5
72.99181	6.0
73.02818	4.6
75.00753	23.1
83.01253	4.1
85.02827	20.1
87.00749	7.8
87.81589	1.5
89.02328	8.1
95.01236	3.9
96.95898	7.3
97.02784	1.9
99.00752	8.5
101.02341	12.5
104.00766	1.7
113.02343	20.1
117.01823	1.7
117.03345	6.7
119.03419	3.0
119.04915	8.6
124.01552	3.1
125.02357	1.7
129.01836	7.5
134.03615	2.6
135.04358	3.6
145.02847	16.2
147.02914	9.8
153.18060	1.7
155.05077	1.7
163.03894	8.6
165.03944	2.3
168.51897	1.5
175.02515	1.8
180.06601	4.0
186.38820	1.8
209.11732	4.4
215.42593	2.2
223.13190	2.3
227.03500	1.9
227.12770	5.8
249.06068	10.9
267.07309	12.1
269.04483	7.5
269.21503	1.9
271.81073	1.6
287.15009	3.2
287.22314	27.0
298.04675	2.6
309.08289	6.7
313.07211	3.8
327.13416	3.8
328.14011	2.8
351.10956	2.3
395.09796	2.4
431.26672	15.0
438.20099	2.9
439.20615	5.7
449.27579	34.7
450.27756	4.9
479.13577	6.4
491.28653	100.0
492.29062	10.3
517.18878	2.2
518.19928	11.9
519.20721	5.5
537.21893	27.7
538.22382	4.1
597.31000	2.2
617.52289	2.1
639.32452	46.9
640.32739	8.0
683.24261	40.4
683.35352	3.8
684.25403	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	683.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	51.2
61.98700	2.3
71.01239	1.8
71.16046	1.6
80.04937	4.9
85.02837	1.1
88.98639	0.9
92.04911	1.2
96.53911	0.9
96.95929	1.5
99.00710	1.3
104.04924	1.6
106.06516	7.1
108.04459	1.1
113.02308	1.0
117.96130	0.8
120.04460	2.2
120.08073	3.4
121.05248	5.2
122.06014	19.5
130.06566	1.3
132.04442	1.4
134.05002	2.0
134.06018	39.7
146.05975	1.8
148.03934	1.7
148.07468	0.9
150.06772	1.5
152.07092	3.4
160.03979	2.6
160.06337	10.7
161.04701	1.3
170.09758	1.1
174.05531	4.9
190.05006	2.9
194.08220	2.1
197.07159	2.6
198.12668	0.9
200.07051	0.9
211.08775	2.0
213.10274	49.0
214.10593	2.7
223.08722	3.0
223.12129	0.9
224.09462	1.2
225.10321	4.6
226.11086	4.9
227.11758	5.5
233.07103	1.3
235.08658	1.2
239.11861	24.0
240.12230	1.9
241.13431	27.3
242.13747	1.9
249.10364	3.8
251.11893	4.7
253.13405	1.5
262.07367	1.1
263.08221	2.4
265.09784	1.7
265.13489	1.4
267.11316	3.1
275.11993	1.3
277.09833	10.8
278.10468	3.3
279.11270	2.9
285.12466	100.0
286.12827	8.6
287.14005	3.6
291.07809	1.3
292.08835	1.0
293.09747	1.4
293.12955	11.9
294.13028	1.1
295.10876	5.7
305.09384	9.0
306.09845	1.2
307.10867	7.0
308.11432	1.2
314.13242	0.9
316.14542	2.8
326.04074	1.3
327.10025	1.2
327.14200	0.9
328.10934	1.5
329.11502	1.0
330.12323	1.2
330.16104	1.6
332.17484	1.2
337.11987	4.4
338.12381	1.0
339.13776	1.5
340.14453	2.4
342.12518	3.3
343.13159	3.6
344.13831	2.4
344.17676	1.6
354.12457	1.4
355.13040	5.4
356.13898	3.0
357.14911	4.3
358.15594	24.7
359.15796	3.1
365.11407	14.0
366.11740	1.6
367.12967	2.6
368.13925	1.6
369.10556	1.3
369.14630	3.1
370.11618	1.8
370.15692	2.8
372.17383	1.9
382.11426	1.1
382.15768	1.7
383.12381	1.7
384.13300	5.9
384.17642	1.9
385.14316	2.7
396.13632	1.2
397.14038	9.2
398.14850	3.3
399.15872	2.4
400.16669	18.9
401.16925	2.9
411.16089	1.3
412.16824	8.9
443.15118	1.1
444.15305	1.1
475.17395	1.2
489.19470	1.2
490.20209	2.4
491.20905	5.4
503.24783	1.2
505.22501	5.5
506.22998	2.2
521.27588	1.1
539.26300	4.2
547.23505	29.5
548.23901	6.1
565.24481	20.5
566.25031	4.6
573.21088	1.5
583.25763	3.1
591.22491	15.9
592.22638	2.7
607.25653	88.6
608.25964	19.2
609.23621	1.7
610.23712	4.1
623.25140	2.9
651.24622	87.5
652.24890	18.4
683.27319	12.5
683.38885	1.4
684.27484	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.5
57.03300	5.8
57.57881	1.9
59.01255	85.4
60.56199	1.9
61.98701	4.1
62.61022	1.8
64.87019	1.8
67.14994	1.6
69.03305	3.0
69.33681	8.6
69.34115	10.5
71.00905	2.1
71.01254	32.7
71.02380	2.6
72.40388	1.8
72.99158	8.4
73.02802	5.2
73.48979	2.4
75.00745	22.0
79.16175	1.8
81.03304	2.1
83.01248	2.2
85.02831	25.7
87.00729	8.9
89.02331	9.6
91.01746	2.1
95.01247	6.9
96.95856	5.9
98.19772	3.7
99.00744	14.4
99.04282	2.7
101.02292	8.3
103.00167	2.2
111.00755	2.4
111.01864	2.7
111.04479	1.8
113.02335	28.0
117.03358	10.3
119.04891	14.8
129.01805	3.5
131.03404	2.5
133.02774	4.4
134.03612	4.8
135.04366	7.9
139.03888	1.9
145.02859	47.0
146.06004	2.2
147.02882	2.5
153.01756	3.9
163.03893	14.3
175.02367	3.0
180.06531	6.1
207.13814	3.7
209.11673	5.8
223.13287	4.0
227.12845	18.9
231.04965	2.6
249.06157	22.3
267.07309	20.0
269.04553	16.4
270.05057	3.2
287.14825	4.4
287.22076	8.4
300.02451	2.8
300.48660	1.9
309.08228	9.5
313.06924	2.2
315.04858	5.7
351.10687	3.0
361.18454	3.4
395.09283	2.7
413.10400	3.1
431.26062	4.4
433.13293	3.9
438.20392	4.8
439.20361	3.7
449.27667	13.5
455.12195	3.0
479.13513	14.3
491.28629	30.4
492.29031	2.8
507.22379	4.2
518.19122	5.9
519.20862	9.9
537.21912	59.1
538.21692	7.2
639.32379	15.3
665.24438	3.4
683.24927	100.0
684.26135	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	683.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.5
57.03300	5.8
57.57881	1.9
59.01255	85.4
60.56199	1.9
61.98701	4.1
62.61022	1.8
64.87019	1.8
67.14994	1.6
69.03305	3.0
69.33681	8.6
69.34115	10.5
71.00905	2.1
71.01254	32.7
71.02380	2.6
72.40388	1.8
72.99158	8.4
73.02802	5.2
73.48979	2.4
75.00745	22.0
79.16175	1.8
81.03304	2.1
83.01248	2.2
85.02831	25.7
87.00729	8.9
89.02331	9.6
91.01746	2.1
95.01247	6.9
96.95856	5.9
98.19772	3.7
99.00744	14.4
99.04282	2.7
101.02292	8.3
103.00167	2.2
111.00755	2.4
111.01864	2.7
111.04479	1.8
113.02335	28.0
117.03358	10.3
119.04891	14.8
129.01805	3.5
131.03404	2.5
133.02774	4.4
134.03612	4.8
135.04366	7.9
139.03888	1.9
145.02859	47.0
146.06004	2.2
147.02882	2.5
153.01756	3.9
163.03893	14.3
175.02367	3.0
180.06531	6.1
207.13814	3.7
209.11673	5.8
223.13287	4.0
227.12845	18.9
231.04965	2.6
249.06157	22.3
267.07309	20.0
269.04553	16.4
270.05057	3.2
287.14825	4.4
287.22076	8.4
300.02451	2.8
300.48660	1.9
309.08228	9.5
313.06924	2.2
315.04858	5.7
351.10687	3.0
361.18454	3.4
395.09283	2.7
413.10400	3.1
431.26062	4.4
433.13293	3.9
438.20392	4.8
439.20361	3.7
449.27667	13.5
455.12195	3.0
479.13513	14.3
491.28629	30.4
492.29031	2.8
507.22379	4.2
518.19122	5.9
519.20862	9.9
537.21912	59.1
538.21692	7.2
639.32379	15.3
665.24438	3.4
683.24927	100.0
684.26135	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	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89752	0.9
58.00482	1.1
59.00951	1.6
59.01252	29.6
69.37125	7.4
69.64203	0.7
71.01257	24.1
72.99201	2.0
73.02850	0.8
76.20986	0.8
84.89698	0.8
85.02838	3.1
87.00755	2.2
87.99937	0.8
89.02320	31.2
95.01259	1.4
101.02323	10.9
112.59332	0.7
113.02337	8.9
119.03384	10.5
131.03368	1.6
143.03435	4.7
149.04491	1.1
154.01268	0.9
161.04533	5.1
179.05547	22.9
180.05801	1.2
212.10144	0.8
224.19710	0.8
315.29871	0.9
341.10904	100.0
342.11255	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	681.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.1
66.10762	0.8
71.01258	3.2
71.49223	1.8
73.02840	0.8
78.95772	1.2
85.02866	0.9
88.97449	0.8
89.02312	1.6
94.13922	0.8
101.02316	3.0
105.78307	0.9
110.98405	0.8
111.08073	6.7
111.65786	0.8
119.05001	0.9
125.09696	1.0
127.11177	2.3
153.09111	1.9
167.10667	1.4
171.10190	100.0
172.10550	3.6
173.27014	0.9
179.10713	1.7
195.13829	4.1
235.08188	3.2
247.20789	1.0
253.09229	8.2
254.13490	1.0
277.21771	3.7
286.69357	1.0
291.19669	74.3
292.20068	6.4
355.80554	1.0
407.19299	1.7
445.23428	2.5
484.06168	1.0
509.27429	1.0
527.28448	2.3
528.28491	1.3
681.38983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.8
58.00475	1.3
59.01253	20.5
66.03369	2.1
69.03342	1.4
70.35506	4.8
70.35876	2.4
71.01254	10.0
71.02367	11.4
72.00788	3.7
72.99180	3.0
73.02818	2.6
74.02332	2.9
75.00754	4.1
83.01283	2.0
84.08033	1.6
85.02821	11.5
85.03919	1.6
87.00754	4.2
89.02306	2.7
93.03332	7.3
95.01286	1.8
96.95885	3.5
98.01067	1.8
99.00748	4.1
101.02323	4.1
106.04170	1.5
107.04917	3.3
107.28474	1.3
107.86848	1.5
110.06002	1.6
111.01894	20.3
113.02335	10.0
113.07090	7.7
115.00253	2.3
116.04932	1.8
117.03316	3.1
118.06532	2.9
119.04916	18.9
120.01099	1.5
120.05313	1.5
121.02922	1.5
124.02620	1.5
125.61523	1.5
127.08643	3.9
133.05228	2.6
134.03583	2.0
134.06017	14.4
135.04448	1.6
136.07552	2.1
145.02859	4.8
146.06044	11.2
147.04436	1.8
149.07053	2.1
153.06602	6.1
155.08144	4.0
160.07576	2.1
161.02379	1.6
162.05470	1.5
163.03955	15.5
163.08649	4.5
164.07129	2.4
167.04668	1.5
174.05539	1.5
175.02449	3.4
180.06583	37.8
181.13367	6.1
189.06572	6.2
191.08199	9.6
198.05524	1.8
200.10756	1.9
209.11737	1.6
211.13475	1.7
213.13878	6.8
215.08247	2.5
218.12888	1.7
221.09302	3.5
224.14053	4.6
227.03506	1.4
243.11363	4.2
249.06117	3.5
255.02997	1.7
257.12927	11.7
260.14014	4.3
266.11880	20.3
267.07327	10.2
283.14584	2.9
287.22318	1.9
310.19629	2.2
327.13470	28.0
359.16681	1.6
371.20996	1.6
374.13101	1.4
378.14526	8.7
394.21317	4.5
421.20068	3.8
431.26331	1.6
432.11185	3.2
438.20392	43.7
439.20590	4.9
449.27856	2.4
457.26215	11.6
465.19061	5.3
491.28635	4.6
501.25107	8.2
517.19281	11.8
518.19788	1.9
535.25171	1.8
537.21954	2.2
556.06830	1.7
582.62604	1.5
623.84998	1.5
638.33380	1.9
682.32556	100.0
683.24530	9.0
683.35010	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	681.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05189	1.3
54.47621	1.0
57.03314	1.0
59.01256	15.1
61.60816	0.9
61.98700	1.4
64.99646	1.0
65.53728	1.2
71.01246	5.5
71.58472	1.7
73.02838	1.3
80.30050	1.0
84.04341	1.2
85.02829	2.3
91.27768	1.0
101.02343	2.6
110.42154	1.0
117.03346	25.2
119.04913	29.6
120.05190	1.4
121.02837	1.4
145.02856	100.0
146.03221	3.4
162.06750	1.6
163.03922	18.8
163.07600	1.3
171.10306	1.5
177.09137	1.3
269.21194	3.9
287.22266	4.6
380.14386	1.2
398.76123	1.2
398.81384	1.1
413.25327	1.7
431.26376	5.8
433.25943	13.2
449.27441	12.2
473.27216	1.7
477.35870	2.4
491.28769	19.6
492.28745	2.4
557.93823	1.2
577.30084	3.4
595.31573	7.1
637.32275	64.3
638.32526	12.2
648.38232	1.3
663.84961	1.5
681.37891	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	681.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54584	0.9
59.01258	4.1
61.98708	5.0
62.36618	0.8
71.01273	2.0
71.34776	1.9
102.21850	0.8
113.02318	0.9
117.03355	21.1
119.04919	23.5
121.02842	1.4
125.02416	0.9
145.02864	100.0
146.03212	4.5
162.06734	1.2
163.03928	17.3
164.04245	1.4
177.09056	1.3
178.29378	0.8
269.21231	1.7
287.22339	8.9
415.24683	1.0
431.26367	3.1
433.25952	45.3
434.26205	6.0
449.27490	3.9
454.22784	0.9
475.27646	1.1
491.28622	5.5
577.30060	1.0
595.30786	1.3
637.32318	20.0
638.33185	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	681.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.5
61.98689	1.4
63.69299	0.4
70.33668	1.8
71.01280	1.1
85.02842	0.5
85.48381	0.4
96.95859	0.6
98.21130	0.4
101.02324	0.5
113.02325	0.6
117.03353	15.8
117.04193	0.8
118.03656	0.6
119.04926	23.9
121.02852	1.9
123.04491	0.5
133.02849	0.5
143.38408	0.5
145.02863	100.0
146.03220	3.7
162.06801	1.8
163.03932	19.4
164.04187	0.6
171.10107	0.6
177.09157	2.0
269.21259	1.5
277.21832	0.5
286.30902	0.4
287.19055	0.7
287.22287	8.8
288.22696	0.8
415.24933	1.0
433.25955	75.8
434.26227	9.3
445.23792	0.7
458.33502	1.3
459.33737	0.8
475.26868	0.7
500.55621	0.5
559.60382	0.5
607.22443	0.5
637.31842	1.0
650.57831	0.5
681.38293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52938	0.8
54.50943	0.8
55.01752	1.9
57.03307	1.4
59.01252	42.1
69.03337	2.5
69.26158	9.1
70.49993	0.9
71.01254	34.2
72.99174	4.0
73.02825	6.8
75.00764	1.4
81.03316	1.4
83.01256	3.4
85.02817	8.7
87.00744	8.2
87.62794	0.9
89.02320	32.9
91.03847	1.4
95.01252	2.1
97.02840	6.5
99.00747	2.3
101.02326	27.7
111.04424	1.5
113.02333	13.5
116.01777	0.9
119.03391	10.4
121.02833	0.9
125.02345	11.4
131.03377	1.4
139.03940	1.0
143.03386	6.4
143.60875	0.8
143.62167	0.8
161.04471	6.0
167.03386	1.2
179.05511	5.2
187.57098	0.9
219.05072	1.0
221.01280	1.1
221.06555	2.6
235.08203	13.2
253.09154	3.7
263.07794	1.3
277.09546	0.9
277.21616	1.1
281.24857	100.0
281.87839	0.9
282.25204	10.9
287.07721	3.4
305.08783	3.2
397.13492	68.4
398.14059	5.9
415.14572	32.6
416.14981	2.5
597.38263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65271	0.8
57.03318	3.5
58.02455	0.8
59.01255	37.6
60.01627	1.0
60.08040	0.8
69.02658	0.9
71.01257	7.1
71.58285	1.3
72.99185	16.0
73.02801	2.1
74.44990	0.9
75.00737	2.5
79.90135	1.0
81.82324	1.0
83.18176	0.8
85.02837	5.1
87.00734	2.8
89.02325	2.5
93.03339	1.3
96.95882	5.3
99.00733	3.6
99.04389	1.0
101.02323	2.2
113.02334	6.3
117.03311	1.6
119.04922	100.0
119.08559	1.1
120.05267	4.5
135.11617	1.1
137.09621	4.7
145.02867	3.2
146.05823	0.9
163.03929	64.2
164.04243	2.8
179.10681	2.9
181.08588	4.7
183.13797	3.9
197.11774	14.7
205.04950	1.4
223.06155	1.5
223.09749	1.3
241.10745	10.6
249.06201	1.2
267.07220	2.9
299.02008	1.0
349.33667	1.1
415.19998	1.0
439.12546	9.0
440.12683	1.2
457.13553	29.6
458.13727	2.9
459.18463	1.1
477.19727	5.1
492.04367	1.0
619.24097	2.2
621.21832	2.3
653.18420	1.0
663.23346	1.5
681.23950	69.2
682.23987	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	679.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70183	0.5
53.97732	0.6
54.37713	0.5
55.01758	0.6
57.03325	3.8
57.62843	0.4
59.01256	10.3
61.29301	0.5
68.99680	0.6
70.15810	1.1
70.16224	1.6
71.01257	19.4
72.99192	5.8
73.02821	0.9
75.00752	17.2
79.95615	0.5
81.59620	0.5
82.95331	0.8
83.01265	1.0
83.04911	0.6
85.02829	20.0
87.00757	6.9
89.02314	3.1
95.01281	1.6
96.95887	1.4
99.00754	5.2
101.02337	1.6
103.00231	0.7
113.02332	15.5
115.00266	1.1
117.01845	4.3
131.03322	0.5
157.01343	0.7
171.10240	0.7
173.35899	0.5
175.02469	1.2
175.03934	0.7
239.71408	0.6
305.95456	0.6
391.30264	1.3
393.31607	0.7
435.29028	2.7
437.30579	1.6
456.35626	1.0
467.31546	1.5
485.32510	1.8
503.21136	1.1
503.33997	1.4
679.36945	100.0
680.37262	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	679.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05622	0.6
55.01746	1.1
57.03329	4.0
59.01252	7.6
59.62621	0.6
61.41603	0.5
61.98686	1.0
63.65965	0.5
67.01785	0.6
68.99687	0.8
69.93329	3.4
71.01254	14.8
72.99181	11.8
73.02809	1.4
75.00748	24.6
83.01259	1.6
85.02823	27.5
87.00745	11.2
89.02311	1.3
95.01260	2.0
96.95847	0.8
99.00760	4.4
101.02308	1.2
103.00236	1.5
105.10667	0.6
110.29678	0.6
111.00777	5.2
113.02332	14.3
115.00271	1.3
116.01015	1.0
117.01806	0.9
128.01024	1.3
129.01823	2.0
157.01331	2.2
173.00861	1.2
175.02361	0.9
191.01932	7.6
191.14299	1.1
193.03461	1.9
193.15883	2.3
203.14326	0.9
214.13998	0.6
225.73969	0.6
232.28926	0.6
309.26462	0.6
331.13931	1.8
343.13959	1.8
345.15527	1.8
369.19174	30.6
370.19641	3.7
383.17111	10.3
384.17249	0.8
385.18527	5.3
398.19476	3.8
399.20209	24.1
400.20474	3.3
411.20117	0.7
427.20078	1.5
430.18478	8.3
431.18558	0.8
432.19983	14.5
433.20404	1.3
550.84827	0.6
591.61951	0.8
624.98535	0.7
631.34930	2.3
645.36676	1.0
646.37085	0.9
647.34589	3.0
648.34497	0.8
661.35999	2.6
662.36108	1.0
679.36975	100.0
680.37250	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	679.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.3
59.83507	2.1
64.13871	2.1
70.06954	7.7
71.01251	12.6
72.99167	2.8
73.02822	3.5
75.00753	5.0
85.02831	9.0
87.00759	2.4
89.02352	2.5
95.01311	2.3
96.95905	4.2
99.00784	4.7
101.02332	2.5
113.02343	8.8
121.02818	2.8
123.00745	3.1
131.03441	2.3
135.04520	2.4
151.03973	2.6
151.21481	2.1
160.01550	5.6
161.02377	29.9
173.02351	9.0
175.03918	16.9
176.04700	41.0
177.14253	2.3
179.69179	2.1
188.04686	3.5
189.05478	3.7
190.06303	10.2
191.03436	6.1
191.06993	8.9
205.05042	4.4
206.05788	6.2
221.08163	10.6
227.03474	3.1
249.06148	7.4
253.04987	4.1
255.02863	4.7
267.07101	13.0
268.07455	3.6
269.04620	2.7
281.04578	2.8
283.05899	2.3
284.03314	7.3
295.06223	6.3
296.06967	3.2
297.03964	5.3
309.04022	3.2
310.08530	5.1
311.05585	6.7
311.09103	4.0
312.06396	7.1
325.07095	3.1
325.10751	4.3
326.07913	5.1
327.08749	15.1
339.08817	17.8
341.10284	5.3
342.11191	13.4
354.11145	3.9
357.13422	100.0
358.13757	9.9
369.13702	3.2
386.09671	2.2
387.14429	5.3
395.13040	2.4
401.12445	24.5
413.12411	27.2
431.13528	10.7
499.18396	5.1
517.19324	20.3
518.19635	2.6
635.19598	11.2
679.24414	4.3
679.34729	4.0
700.20667	2.3
704.35547	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4273
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
59.01253	36.1
60.01585	0.3
70.86377	0.4
70.86691	0.5
71.01267	1.2
78.95782	0.3
80.96455	0.3
83.22137	0.2
84.05467	0.2
85.02834	0.4
89.02280	0.3
95.01290	0.3
101.02338	1.1
113.02357	1.0
119.03394	0.8
161.04491	0.5
277.21896	0.3
278.22269	0.3
279.23016	0.2
407.33020	0.6
411.05429	0.3
455.35300	100.0
456.35651	14.2
469.36713	0.5
617.40723	0.7
677.41730	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	677.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02860	0.3
59.01244	0.8
59.43584	0.3
71.01238	0.2
71.31409	0.2
72.96696	0.2
78.15343	0.2
80.04913	0.3
81.03333	9.8
82.03658	0.3
83.04900	24.5
84.05221	0.6
89.01638	0.3
96.95889	0.4
100.07572	0.4
107.06042	0.7
108.04413	0.7
125.07078	1.2
126.05515	0.5
143.08212	0.6
155.30727	0.3
191.59573	0.2
207.15009	1.6
224.17642	3.6
225.16046	14.6
226.16393	1.1
242.18765	1.1
250.15710	0.3
268.16519	0.4
290.22308	0.3
309.21838	0.6
324.26550	1.0
333.22858	1.5
341.29205	1.5
367.27145	1.1
433.31583	1.2
450.34531	2.0
451.32904	6.8
452.33194	0.9
550.43420	1.0
559.39722	0.5
565.44427	0.5
567.46423	0.3
593.44012	0.7
659.49030	1.6
677.49695	100.0
678.50037	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	679.1516
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
59.01238	1.1
63.70898	1.1
67.29456	1.0
75.88981	1.1
82.58949	1.2
82.67743	1.0
98.70606	1.0
107.01264	1.6
151.00230	1.3
152.27974	1.2
163.00269	1.6
171.12405	1.1
178.99831	1.2
183.04399	1.1
211.03915	1.3
227.03448	36.5
228.03854	2.4
229.04878	2.0
230.21893	1.7
230.24159	1.2
255.02968	66.9
256.03546	7.9
257.04437	2.2
283.02496	2.2
284.03271	100.0
285.03906	19.2
311.50482	1.1
341.94055	1.0
396.65381	1.3
530.07245	1.3
593.15411	1.2
635.16162	54.3
636.15967	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	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20332	0.3
55.01755	1.4
57.03330	1.0
58.00476	2.0
59.01254	38.1
59.36706	0.3
60.01588	0.5
66.93592	0.2
68.99689	0.6
69.03322	2.8
71.01256	37.6
72.01569	0.4
72.99180	3.2
73.02828	5.8
75.00761	1.0
78.95777	0.4
81.03325	1.8
83.01266	4.7
85.02824	6.6
85.64008	0.3
87.00755	9.3
89.02320	30.1
90.02649	0.4
91.03889	0.7
95.01269	2.8
97.02835	7.0
97.45984	0.3
98.19791	0.5
99.00767	2.4
99.04435	0.4
101.02324	28.7
102.02673	0.6
103.00200	0.3
103.03896	0.4
106.38247	0.3
109.02859	0.7
111.00777	0.4
111.04412	1.1
113.02335	14.9
114.02680	0.3
115.03921	0.6
116.95206	0.3
119.03397	10.1
121.02856	0.7
123.00691	0.3
124.01578	0.3
125.02345	12.0
127.03959	0.6
129.01852	0.3
131.03363	1.7
133.04971	1.5
137.02335	0.4
139.03912	1.1
141.01871	0.6
143.03410	6.1
145.02756	0.3
149.04501	1.4
155.03435	0.3
161.04469	6.8
167.03419	0.8
169.05009	0.7
179.05534	6.3
181.04883	0.3
185.04518	0.7
195.19981	0.3
199.06088	0.6
203.05617	0.5
217.07175	1.0
221.06596	2.2
229.34396	0.3
233.06740	0.3
235.08194	12.2
236.08600	0.5
245.06682	0.7
253.09264	3.8
254.09315	0.3
261.22342	0.3
263.07706	1.4
277.09308	0.9
279.23288	100.0
280.23648	8.3
287.07736	3.0
293.24973	0.4
305.08795	3.1
323.09726	1.8
361.11475	0.6
379.12610	1.0
397.13507	63.1
398.13882	4.3
415.14578	29.5
416.14795	2.0
641.57947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03326	4.7
59.01253	4.8
67.01737	0.5
69.03331	0.4
71.01256	9.1
72.99174	2.8
73.02813	1.0
75.00748	20.9
75.78360	0.4
83.01258	1.2
84.02007	0.5
85.02827	24.8
86.03179	0.7
87.00757	4.0
89.02337	0.8
95.01275	2.5
98.70556	0.5
99.00777	3.8
101.02335	0.5
107.88187	0.4
112.01531	1.4
113.02331	13.3
115.00228	0.8
116.01064	1.1
117.01806	0.8
117.85458	0.3
129.01840	1.1
136.00378	0.4
157.01311	1.6
160.58109	0.4
175.02397	0.6
224.77953	0.4
326.35818	0.4
421.31116	0.8
435.29077	0.9
437.30722	3.6
438.30927	0.8
457.33603	0.5
467.31653	3.3
468.32025	0.7
469.33682	0.8
481.33258	0.5
677.39044	100.0
678.39441	21.9
691.25690	0.5
701.32959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.6
57.03309	1.6
58.00470	2.3
59.01253	41.9
59.58173	0.3
59.76186	0.3
61.58284	0.4
68.99673	0.4
69.03317	2.4
70.88433	0.7
70.88778	0.8
71.01257	38.0
72.01602	0.6
72.99168	3.0
73.02821	6.6
75.00750	0.9
78.95786	1.1
81.03320	1.8
83.01259	4.3
83.04858	0.5
85.02348	0.6
85.02826	8.2
85.99938	0.4
87.00758	9.1
89.02319	29.0
90.02604	0.5
91.03870	0.6
95.01263	3.2
97.02839	5.8
99.00758	2.4
99.04383	0.4
101.02324	29.7
102.02664	0.4
103.03867	0.8
111.00771	0.7
111.04386	1.1
113.02332	13.0
115.03867	0.9
119.03395	11.9
121.02843	0.4
123.00747	0.4
124.01518	0.5
125.02339	11.8
127.03907	0.8
131.03374	1.7
133.04964	0.9
137.02293	0.4
139.03896	1.3
141.01810	0.6
143.03400	5.5
149.04454	0.6
152.99487	1.6
161.04482	7.3
163.03874	0.5
167.03395	0.6
171.02826	0.5
179.05539	6.1
203.05504	0.8
217.07091	0.6
221.06638	2.4
235.08186	12.5
241.01213	0.8
245.06639	0.6
252.74232	0.4
253.09312	3.7
261.22296	0.7
263.07693	1.4
277.09225	0.9
279.23285	100.0
280.23648	7.3
287.07712	2.0
305.08762	2.8
323.09891	1.6
334.61154	0.4
359.21982	0.6
361.11337	0.7
379.12689	0.8
397.13501	64.6
398.13803	4.6
415.14581	28.3
416.14713	2.1
595.28937	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	677.3548
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01760	1.2
57.03319	2.2
58.00476	1.0
59.01252	28.3
62.70633	0.7
69.03322	0.9
69.25945	4.7
69.26371	3.6
70.34880	0.7
71.01257	23.0
72.99184	32.8
73.02827	7.6
74.49609	0.7
75.00751	2.2
81.39230	0.8
83.01249	1.9
84.02001	0.9
85.02825	24.5
87.00729	1.9
89.02327	8.8
95.01263	4.5
96.19873	0.9
96.95860	0.9
99.00764	1.9
101.02336	7.7
103.00262	9.3
108.89856	0.8
113.02337	30.1
114.02659	1.1
115.00262	1.1
129.01833	2.5
131.03403	5.2
132.21585	0.7
133.01349	2.1
157.01279	1.1
171.10234	0.8
175.02394	3.0
193.03493	21.3
197.11804	1.0
209.11758	2.0
227.13054	0.9
249.11140	3.5
325.20197	1.1
395.28873	0.8
501.32343	6.3
515.28180	1.3
677.35388	100.0
678.35767	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	677.3545
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
53.49452	0.6
55.01751	1.1
57.03340	3.3
59.01252	8.3
69.03300	0.7
69.37123	1.4
69.37526	4.6
71.01254	11.1
72.99188	3.1
73.02808	1.9
73.32587	0.5
75.00745	17.1
83.01241	1.1
85.02825	18.2
85.03339	0.9
87.00762	3.7
89.02324	1.5
90.16802	0.5
95.01273	1.9
96.95903	1.5
99.00764	3.6
101.02325	1.0
113.02327	11.7
115.00263	1.5
116.01007	1.3
125.02246	0.7
129.01782	1.3
137.09476	0.6
157.01309	0.7
175.02377	1.2
177.09090	0.8
197.11725	1.1
223.09656	0.6
295.23087	0.7
311.22415	0.9
332.63019	0.6
409.31183	0.6
457.33127	3.4
469.30164	0.7
499.30615	0.7
501.32184	2.4
515.28082	2.9
615.35431	1.0
633.28925	1.1
677.35388	100.0
678.35767	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	677.3543
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01767	1.0
57.03326	1.9
58.00452	1.0
59.01254	24.5
67.60938	0.6
70.34255	2.5
71.01256	23.9
72.99185	39.4
73.02822	9.2
73.99490	0.6
74.06086	0.6
75.00745	2.2
82.96822	0.7
83.01277	1.9
85.02827	25.9
85.03349	1.4
87.00745	1.0
89.02324	7.9
95.01279	4.4
95.57238	0.6
96.95863	0.8
99.00742	2.2
101.02334	9.8
103.00252	9.6
111.00827	0.6
113.02332	32.1
114.02651	0.8
117.07187	0.7
129.01802	2.7
131.03391	4.8
133.01344	3.8
145.02808	0.9
157.01311	2.5
163.02417	1.3
163.16347	0.7
175.02380	2.2
193.03479	27.2
197.77466	0.7
239.08536	0.7
276.29828	0.7
364.41577	0.6
449.09174	0.6
461.84921	0.7
501.32217	5.1
504.11407	0.8
677.35443	100.0
678.35797	19.9
678.47339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03316	2.2
59.01250	9.3
59.88301	0.6
61.98695	0.6
70.03345	3.4
71.01250	12.1
71.04901	0.7
72.99182	4.8
73.02811	0.9
75.00746	16.4
85.02345	1.3
85.02824	17.7
87.00764	4.0
89.02319	1.7
95.01278	1.6
96.95866	1.1
99.00771	3.9
101.02320	1.7
113.02332	12.0
115.00220	1.0
116.01117	0.7
116.59637	0.7
117.01833	1.3
119.21655	0.6
126.54176	0.5
126.74174	0.7
129.01839	1.0
131.04477	0.8
145.02832	1.0
157.01283	1.6
175.02365	0.9
182.52858	0.7
209.11784	1.0
286.41583	0.8
320.23389	0.7
391.30167	0.8
423.28967	1.9
436.18826	0.8
453.30081	2.1
454.30731	0.7
455.35477	3.2
585.63812	0.8
605.66174	0.8
618.98346	0.8
656.26794	0.7
677.35376	100.0
678.35773	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	677.3545
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01754	1.1
57.03326	3.3
58.00460	0.7
59.01253	28.1
61.84232	0.3
67.01752	0.4
68.83021	0.3
69.03316	0.5
70.35185	1.7
71.01256	23.1
72.99184	34.7
73.02822	8.5
73.39014	0.4
75.00741	1.5
79.11026	0.3
83.01265	1.2
84.02034	0.5
85.02826	25.2
87.00741	1.5
89.02319	8.0
95.01264	4.5
96.03285	0.4
96.95888	0.5
98.20411	0.6
99.00759	1.8
101.02327	8.7
101.97455	0.4
103.00257	9.3
111.25169	0.3
112.77132	0.4
113.02333	30.1
114.02631	0.6
115.00230	0.9
129.01826	1.7
131.03397	4.9
133.01324	3.2
157.01340	1.5
163.02380	0.8
175.02449	2.1
193.03471	25.3
276.95496	0.4
439.32516	0.7
483.31293	0.5
501.32254	5.9
502.32324	0.8
515.28406	1.5
531.20978	0.5
553.24652	0.4
677.35406	100.0
678.35645	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	675.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01611	0.6
68.00817	0.4
71.57340	0.4
71.57784	0.6
78.95789	0.7
105.04362	0.4
184.93161	0.5
201.11330	0.5
211.13391	0.7
277.21750	0.7
279.23230	0.6
309.20694	1.0
397.13480	0.5
460.91965	0.5
474.50473	0.5
505.19498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39679	6.5
55.11078	6.4
57.03342	7.5
57.39887	6.1
59.01250	100.0
59.64909	5.8
66.10416	6.6
71.01266	30.9
71.26144	5.7
71.58446	12.5
72.60355	6.2
73.02828	8.8
75.00735	16.6
85.02834	21.7
86.14275	5.5
87.00727	7.6
89.02338	12.6
95.01290	6.6
96.95921	14.3
99.00771	7.3
101.02328	19.5
103.35223	6.3
113.02336	18.3
134.63498	7.2
145.02876	9.7
171.10196	8.7
202.27977	7.3
301.05212	13.1
446.85968	7.4
455.54819	8.1
515.28485	14.6
552.93530	8.3
677.35150	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
69.47135	2.1
71.01249	0.4
73.02815	0.3
73.68614	0.2
76.61456	0.2
80.11182	0.3
96.95887	0.4
120.08675	0.2
145.80103	0.3
159.18547	0.2
169.95346	0.3
181.64519	0.3
211.13373	0.3
213.63283	0.2
292.90369	0.2
321.76132	0.3
393.31509	0.7
425.30508	0.3
460.54880	0.3
471.34799	100.0
472.35132	15.4
676.33649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01250	10.0
61.98694	1.9
66.78600	0.4
71.01256	4.0
72.99213	0.6
73.02823	1.4
78.95779	0.9
83.01280	1.0
84.19228	0.4
85.02831	1.8
96.95901	0.6
98.02631	0.4
101.02331	2.0
106.67384	0.6
113.02319	1.6
116.92736	0.6
145.93289	0.5
183.13860	0.7
201.11353	0.5
211.13483	0.8
227.12718	0.6
229.27335	0.5
329.23398	0.5
471.34775	17.3
472.35345	2.3
615.38971	7.4
616.39075	1.5
631.38904	0.5
633.39581	0.7
675.41156	100.0
676.41437	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	675.4111
Annotation	Rubianoside I
Peak:m/z	Relative Intensity
51.16643	0.4
55.05349	0.5
57.39513	0.4
58.01340	0.5
58.16642	0.5
59.01252	8.0
59.08674	0.5
61.98701	1.8
65.75675	0.5
70.87215	1.6
71.01250	3.8
73.02823	2.1
78.95822	0.5
83.01269	0.6
85.02830	1.6
95.01255	0.7
96.95907	0.7
99.00774	0.5
101.02325	2.2
102.26308	0.6
113.02392	1.2
125.31425	0.6
127.58505	0.5
178.02159	0.6
211.13335	0.9
241.17468	0.5
250.33081	0.6
300.33087	0.6
301.93945	0.5
403.24524	0.5
471.34839	16.1
472.35059	2.3
483.41052	0.6
524.31909	0.6
615.39099	11.2
616.39258	1.7
633.40228	1.2
675.41168	100.0
676.41553	20.3
676.53479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
57.03329	5.2
59.01254	8.3
61.98731	0.8
68.99707	1.1
69.34406	7.8
71.01257	11.4
72.99176	3.7
73.02832	1.1
75.00748	31.0
78.95774	1.3
83.01257	1.9
85.02825	30.4
87.00760	5.2
89.02310	1.7
95.01270	2.1
96.95876	5.0
99.00759	4.0
101.02312	1.0
112.01556	1.2
113.02333	20.0
114.02672	0.8
115.00256	1.7
117.01796	1.2
129.01782	1.6
140.07408	0.7
146.45134	0.7
157.01302	1.5
175.02354	1.4
205.29759	0.8
211.13341	1.2
309.20901	0.8
423.32831	1.4
439.32040	1.3
469.33487	1.8
471.35025	10.5
472.35275	1.5
522.27814	0.9
527.33545	1.2
606.33478	1.0
647.37976	21.7
648.38086	3.0
675.37500	100.0
676.37921	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.8
57.03314	1.3
58.00469	2.8
59.01253	63.8
69.03314	2.1
71.01254	48.2
72.99168	3.7
73.02824	8.9
75.00749	1.2
81.03341	2.6
83.01256	5.6
85.02825	10.9
87.00754	10.5
89.02319	38.8
95.01289	4.0
97.02837	8.4
99.00771	2.7
101.02325	36.4
109.02811	1.4
111.04417	2.1
113.02335	18.8
114.02712	0.9
119.03383	11.4
121.02840	1.0
125.02336	14.3
131.03400	1.0
133.04999	1.3
139.03906	1.1
141.01857	0.7
141.05058	0.8
143.03386	5.9
149.04506	0.8
153.70786	0.8
161.04478	8.4
179.05536	5.3
185.04489	1.0
199.06071	0.9
217.07135	1.0
221.06612	2.4
229.30675	0.8
235.08197	13.3
253.09248	3.7
263.07678	1.0
277.21722	100.0
278.22098	7.1
287.07703	2.3
304.72498	0.7
305.08768	2.1
323.09891	2.1
367.77066	0.8
397.13495	52.0
398.13785	4.3
415.14551	26.7
416.15063	2.9
578.05804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
57.03333	3.4
58.00464	1.2
59.00953	1.5
59.01250	29.6
65.56300	0.6
68.69779	0.7
69.03313	1.0
69.43005	5.1
69.43430	1.5
71.01257	24.0
72.99184	33.8
73.02824	9.3
75.00754	2.4
78.77293	0.6
79.22112	0.6
83.01244	2.7
85.02827	26.0
87.00757	1.4
89.02315	9.8
95.01272	4.7
96.95893	2.5
98.19778	0.9
98.95462	0.9
99.00745	2.6
101.01700	0.9
101.02328	11.4
103.00240	9.6
111.00824	0.7
113.02334	30.0
115.91970	2.0
116.92723	4.8
129.01793	2.4
131.03409	4.5
131.04272	0.8
133.01355	3.4
157.01363	1.5
161.04614	0.9
163.02394	1.0
165.12782	1.0
171.10147	3.0
175.02414	2.7
183.13843	9.1
185.11739	3.0
193.03470	17.8
201.11255	1.4
204.30318	0.7
207.10278	1.0
209.11766	4.5
211.13371	6.6
225.11273	1.5
227.12825	1.5
229.14397	1.5
252.35828	0.7
253.09340	0.9
280.51422	0.7
302.04459	1.0
364.99670	0.7
408.24146	0.8
463.21945	3.0
499.30569	6.9
500.30750	1.4
504.98495	0.7
539.47693	0.8
632.25818	1.1
643.24976	0.8
657.34406	1.2
675.33826	100.0
676.34265	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52676	0.3
55.01748	2.1
57.03328	1.7
58.00462	2.5
59.01252	66.4
59.17660	0.3
60.01588	1.1
67.01785	0.4
68.99677	0.8
69.03331	2.9
69.26617	3.0
69.27040	1.3
71.01254	47.6
72.01582	0.4
72.99185	3.7
73.02819	8.6
75.00754	0.9
81.03353	1.6
83.01257	6.0
83.04900	0.9
85.02824	11.7
87.00755	11.3
87.01267	0.8
89.02318	39.1
90.02648	0.5
91.03873	1.2
93.03381	0.5
93.94178	0.4
95.01260	3.5
95.23866	0.4
97.02828	7.1
98.19788	0.9
99.00759	2.7
99.04416	0.5
99.19790	0.4
101.02322	35.8
102.02666	0.6
103.03857	0.7
109.02863	0.9
111.00778	0.9
111.04424	1.4
113.02332	16.5
115.03900	1.4
119.03399	10.4
120.26565	0.4
121.02837	0.8
123.00805	0.4
124.01525	0.5
125.02345	14.6
125.03245	0.7
127.03851	0.8
127.07513	0.4
131.03400	1.7
133.04980	1.6
137.02390	0.5
139.03888	1.3
141.01880	0.8
143.03398	7.5
149.04449	0.9
157.42477	0.4
161.04468	7.6
167.03413	0.6
171.02846	0.5
179.05521	7.4
185.04504	0.8
186.36446	0.4
199.06018	0.7
217.07114	1.3
221.06653	2.2
233.22772	0.5
235.08186	14.6
236.08598	0.5
245.06602	0.6
247.05278	0.4
253.09277	3.4
259.20782	0.7
263.07721	1.8
277.09354	1.0
277.21716	100.0
278.22052	10.2
287.07773	2.7
291.23499	0.4
305.08817	3.5
323.09814	2.0
360.98453	0.4
361.11343	0.7
379.12546	1.0
397.13507	64.8
398.13861	5.2
415.14575	28.1
416.14880	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	673.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03313	3.6
59.01251	37.3
68.99665	1.9
71.01254	20.7
72.23782	0.7
75.00742	2.4
83.01260	1.8
85.02827	16.5
87.00728	0.8
95.01265	1.1
99.00745	2.3
100.43837	0.8
107.09629	0.7
108.16147	0.7
111.00784	1.9
113.02330	14.1
123.27344	0.7
155.00667	0.8
171.10242	0.8
185.03273	0.7
209.11774	1.4
211.13435	1.5
355.49200	0.7
409.14041	1.0
455.35321	6.6
456.35910	1.1
483.35004	2.1
525.35852	1.1
551.37683	1.0
569.38483	2.3
613.37439	100.0
614.37744	16.8
618.35400	0.9
673.39581	86.5
674.40100	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10603	0.9
57.03307	3.2
59.01250	30.9
61.98699	1.2
67.05575	1.2
68.99704	2.0
71.01250	13.8
75.00748	2.7
78.95763	2.4
83.01258	1.6
85.02821	13.5
87.00748	1.8
91.74919	1.0
95.01301	1.4
98.20589	2.1
99.00768	2.5
100.77733	1.1
103.76043	1.0
111.00748	1.3
112.01627	1.1
113.02331	10.9
152.99550	1.2
209.11809	3.3
211.13441	5.1
227.12857	2.9
230.25122	1.3
277.21552	1.8
455.35205	4.4
481.95288	1.2
551.37506	1.2
569.38879	1.8
613.37445	100.0
614.37708	17.2
673.39612	91.7
674.39905	17.3
682.62372	1.2
703.43707	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	675.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02679	2.3
53.25849	2.2
56.03922	2.1
57.03322	3.7
57.88475	2.3
59.01256	25.4
68.10768	2.0
69.31110	6.1
69.31519	18.6
71.01251	12.6
85.02841	7.0
87.00745	2.8
89.02347	6.2
96.95885	2.9
101.02329	8.6
106.06582	2.7
108.65594	2.4
111.08102	3.0
113.02354	5.7
117.24350	2.4
119.03391	2.1
134.06065	2.9
136.07625	3.3
161.04492	3.4
165.12730	6.8
171.10237	3.5
180.55453	2.5
183.13847	100.0
184.14163	5.5
185.11775	51.7
209.11783	3.9
211.13359	52.2
227.12843	7.6
230.50117	2.8
233.15393	3.5
247.75658	2.3
253.09288	8.7
257.13095	4.6
403.24890	3.7
436.18878	4.1
447.22229	2.9
463.21884	3.3
518.88751	2.4
538.55634	3.1
543.91400	2.4
581.24060	5.4
599.24573	5.2
621.32727	12.8
625.22864	3.1
631.33221	31.1
632.33844	6.7
639.34564	3.3
657.34912	57.8
658.35150	4.9
675.34552	20.8
676.33856	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40599	0.3
55.01765	0.4
57.03323	0.9
59.01257	4.9
69.03348	0.3
69.94260	1.1
71.01260	4.2
72.99197	0.3
73.02836	1.2
83.01266	0.6
83.04897	0.6
85.02830	1.5
87.00748	1.1
89.02316	2.2
94.23013	0.2
95.01289	0.4
97.06461	0.7
101.02326	3.7
111.08038	1.1
113.02328	2.3
119.03352	0.7
133.04907	0.4
145.04999	0.4
161.04451	0.8
165.12770	10.0
166.13106	0.6
183.13834	100.0
184.14180	5.5
204.33977	0.3
209.11815	2.3
211.13390	0.7
212.24359	0.3
227.12839	6.4
228.13219	0.3
235.08272	1.2
253.09331	2.5
263.88141	0.2
274.17538	0.3
339.10394	0.3
365.38834	0.3
377.04437	0.3
445.20758	2.5
463.21884	5.1
464.22113	0.4
480.26602	0.3
511.28751	0.5
529.36578	0.3
629.35504	5.4
630.35675	1.1
655.33130	3.7
656.34045	1.0
673.34369	48.0
674.34723	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	671.4019
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03304	2.3
59.01256	10.4
61.98690	1.4
69.27345	9.8
69.27757	2.4
71.01252	8.5
73.02846	1.5
75.00739	1.6
79.03722	1.0
79.95596	1.7
83.01271	1.7
83.04401	1.0
83.04888	1.6
84.00732	0.9
85.02838	3.0
87.00755	1.3
89.02318	2.1
96.95897	19.9
97.02869	1.9
99.00787	2.2
99.88146	1.1
101.02328	4.4
104.66452	1.1
109.06477	1.6
111.04382	1.1
113.02333	3.7
116.92670	1.4
121.02874	1.7
125.09613	2.1
129.46864	1.1
135.08018	1.7
136.05234	2.4
149.06015	2.6
150.06758	21.4
151.07588	6.1
161.04520	1.8
162.06770	1.5
163.07559	19.5
163.11205	3.9
164.08319	3.4
176.08368	1.4
177.09106	1.1
179.10725	8.0
181.12244	1.8
183.13817	1.2
197.11778	1.1
207.10216	10.1
209.11774	28.0
210.12097	2.1
211.13329	3.5
213.18553	2.2
223.13274	1.5
225.11293	17.4
227.12923	4.8
241.17989	1.5
243.12396	2.0
253.09377	2.3
265.14450	1.1
279.89407	1.1
327.25650	3.0
329.23315	2.8
373.24054	1.4
399.21500	1.1
436.36450	1.1
446.33804	4.9
447.35120	1.4
448.31985	5.0
461.20392	3.9
462.33444	10.0
463.34393	7.9
490.33075	4.7
491.33795	2.9
508.33878	7.9
509.34818	13.3
510.35184	2.2
653.31219	5.0
671.40399	100.0
672.31012	2.3
672.40735	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	669.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36013	0.8
55.01758	2.6
57.03328	4.1
58.00458	1.4
59.01257	34.3
69.03333	1.1
69.27977	6.1
69.28397	2.6
71.01261	34.0
72.99177	3.7
73.02825	9.0
75.00738	3.7
78.95771	3.1
83.01260	6.6
84.63789	0.9
85.02820	16.0
87.00748	5.3
89.02322	12.7
95.01255	3.6
96.95887	2.9
99.00755	5.2
101.01701	1.9
101.02332	24.2
102.02675	1.0
111.00768	4.3
113.02326	15.4
117.03356	1.1
119.03408	4.6
119.04855	1.4
125.02327	1.6
134.03673	1.1
136.07489	1.8
143.03389	1.9
145.02882	4.3
151.00224	1.4
159.02847	1.8
160.01575	1.0
161.04486	3.3
163.03922	1.4
171.69069	0.9
179.05502	1.1
193.04991	1.0
204.10600	0.8
207.90996	0.9
225.11217	1.3
267.07199	1.2
284.03378	1.0
345.30099	3.4
447.71576	0.9
465.25189	1.2
493.19626	2.5
507.35373	14.4
508.20959	1.3
508.35529	1.4
669.22638	2.8
669.40753	100.0
670.24042	1.2
670.41010	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03327	1.2
59.01250	12.1
64.49213	1.1
71.01246	8.7
71.04893	1.3
71.57553	1.4
72.99163	1.4
73.02821	2.4
77.62405	0.9
78.95766	1.3
83.04916	1.5
85.02814	3.3
87.00745	1.6
89.02309	4.7
96.95912	2.8
97.02818	6.1
99.00771	6.9
101.02311	6.3
109.06453	2.8
110.03572	1.8
113.02325	4.1
119.03366	1.9
122.75445	1.0
125.02349	1.2
125.09534	2.2
125.13648	1.0
133.04884	1.0
135.08035	1.7
142.02577	2.6
157.01509	1.1
159.63744	1.2
161.04443	3.7
163.11194	5.1
165.12756	9.9
167.07062	1.1
171.10161	1.5
179.10678	1.3
181.12268	17.2
183.13832	100.0
184.14146	4.0
197.11780	2.0
207.10207	35.3
208.10497	1.7
209.11798	7.0
211.13332	3.2
225.11267	63.4
226.11613	3.2
227.12834	7.5
235.08192	3.7
243.12335	5.3
244.12952	1.2
249.15050	1.1
253.07021	1.0
253.09241	5.8
391.25058	1.2
417.26538	2.7
435.27600	2.3
445.20642	2.9
461.20264	11.5
462.20493	1.5
463.21646	5.5
516.09680	1.0
627.33746	4.9
639.19897	1.2
671.32831	85.5
672.33020	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	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17292	1.1
52.72790	1.3
57.03318	1.9
57.49897	1.3
57.58379	1.2
58.79239	1.4
59.01252	11.9
62.47850	1.1
63.15324	1.1
69.03327	3.8
69.92687	7.5
71.01268	6.8
72.25880	1.4
73.02815	1.5
83.04910	1.6
85.02827	3.8
87.00749	2.2
89.02318	4.3
96.95911	2.1
97.06483	1.4
101.02311	7.2
113.02330	3.4
119.03319	1.8
131.16251	1.2
151.65286	1.2
161.04401	2.2
165.12776	11.2
167.10655	4.5
179.05580	2.5
179.14314	4.9
183.13832	100.0
184.14111	4.3
195.13850	13.4
196.22263	1.2
205.12279	12.4
209.11835	8.4
211.13322	2.5
223.13350	85.2
224.13675	4.9
227.12822	8.2
229.14481	2.0
235.08260	3.0
237.07924	1.2
253.09265	7.6
255.20692	1.3
336.39682	1.4
389.26620	1.5
445.20743	3.0
459.22461	5.1
463.21793	4.7
464.04486	1.4
466.28238	2.5
471.34818	2.2
479.96317	1.5
491.14917	1.7
669.34906	91.1
670.35187	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	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.5
57.03324	2.1
58.00461	1.8
59.01253	32.2
59.41641	0.8
69.03319	2.2
69.86713	4.4
71.01254	40.8
72.99190	4.5
73.02826	7.2
75.00746	5.2
83.01264	4.5
84.02026	0.9
85.02825	18.8
86.03188	1.5
87.00745	3.5
89.02320	14.5
93.03324	1.1
95.01263	4.0
96.95897	1.2
99.00759	6.0
101.01693	1.5
101.02321	19.6
105.11168	0.8
111.00748	3.5
113.02328	18.1
119.03413	4.3
119.04923	1.0
124.01533	0.8
125.02315	1.6
129.01801	1.1
132.02177	0.9
133.02818	0.9
134.03633	5.6
135.03975	0.8
137.02403	1.0
143.03427	1.1
145.02829	2.2
149.02336	1.5
152.99467	1.2
159.02882	1.2
160.01521	1.8
161.04424	2.2
165.01886	0.9
175.02415	1.1
175.03841	1.3
178.02509	0.8
181.05000	1.2
193.04977	4.4
211.13336	1.2
227.43497	1.0
249.06085	2.8
267.07184	6.2
279.71692	0.9
284.03137	1.4
345.30182	2.2
443.11771	4.7
466.24777	1.0
493.18692	1.9
507.35385	11.1
508.35590	1.7
510.10431	1.0
540.18817	1.0
669.23676	6.3
669.40668	100.0
670.22766	1.8
670.41290	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	669.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42288	2.8
57.03321	7.0
58.00453	4.0
59.01254	100.0
69.03336	2.9
71.01259	82.1
71.58641	3.6
72.99177	9.6
73.02832	23.8
75.00736	5.2
78.95779	3.4
79.75877	2.4
80.78117	2.8
83.01251	12.5
85.02822	32.4
87.00753	15.1
89.02324	56.4
95.01254	6.9
96.95868	5.5
97.02811	3.3
99.00774	12.9
101.02325	54.0
101.03755	3.4
108.02013	2.7
113.02338	43.8
118.98738	2.5
119.03382	11.2
119.04872	4.3
121.02787	5.0
125.02325	9.7
131.03419	26.2
134.03627	6.9
137.02396	3.4
143.03413	8.9
145.02843	11.6
149.04486	23.6
151.03938	5.0
152.99570	3.2
161.04449	7.7
163.03951	3.1
175.03931	3.2
178.99774	3.7
179.05533	6.2
191.05505	9.0
209.04520	4.1
211.13354	30.7
215.05565	4.4
235.08440	2.8
254.42761	2.8
255.03111	5.4
267.07062	4.5
283.02402	4.5
284.03247	4.5
287.05579	3.2
299.01868	3.3
335.09732	21.0
397.13635	24.6
415.14386	11.4
421.20779	33.2
465.24860	6.8
475.10690	3.9
502.56830	3.0
565.25006	46.9
566.25458	2.9
583.26013	56.8
584.27454	4.3
625.26929	17.7
626.27783	2.9
669.21216	6.4
669.31873	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	669.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	5.5
59.01253	22.2
68.99678	3.3
69.03317	2.9
71.01258	26.2
71.57877	3.3
72.99188	9.6
73.02811	3.3
75.00745	19.8
79.75748	1.9
84.34576	1.7
85.02414	2.2
85.02831	22.7
87.00749	10.1
89.02313	6.7
90.72028	2.0
93.03314	4.2
95.01247	5.9
96.95872	2.5
99.00755	12.2
101.02303	5.8
101.02995	1.8
102.00011	1.7
103.00218	2.9
104.63103	1.8
111.00711	1.8
113.02325	24.8
115.00240	3.6
117.01775	2.9
119.04884	2.2
121.02822	9.0
122.03611	7.0
123.08092	2.5
129.01813	2.8
135.04366	4.2
146.03622	2.8
149.02345	35.6
150.03145	57.3
151.03854	4.4
152.00969	2.2
161.04367	2.0
163.03882	5.7
164.04713	21.7
165.05478	50.6
169.04915	2.0
175.02364	3.5
176.00987	3.1
177.05493	2.8
179.07014	12.0
180.04189	4.5
181.04919	3.7
190.02693	5.2
193.01372	2.5
195.06525	15.7
205.04958	3.4
208.03697	6.4
209.04359	4.7
223.06052	25.5
231.05067	3.0
237.11308	3.3
249.06142	40.8
267.07236	12.5
282.07385	3.2
297.09933	3.5
411.13135	4.9
455.11853	3.6
471.11938	3.6
472.12173	19.3
473.12909	18.8
527.14563	3.4
644.05103	2.0
645.01465	2.1
651.18732	3.1
669.20337	100.0
670.20825	19.2
692.94739	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	669.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20470	1.4
57.03318	5.2
59.01247	21.9
61.19416	1.6
67.01767	2.2
68.99683	5.8
69.03345	1.9
71.01252	29.9
71.58248	2.0
72.99194	10.4
73.02821	3.9
74.07597	1.3
75.00751	23.0
81.03329	2.2
83.01256	1.9
85.02821	25.7
86.04111	1.5
87.00748	9.7
89.02316	4.7
93.03329	4.9
95.01267	5.6
99.00744	15.4
101.02284	2.6
103.00231	1.9
109.02837	2.3
111.00783	1.9
111.04426	1.9
113.02341	24.5
115.00325	2.3
117.01851	3.2
121.02848	8.3
122.03650	9.4
123.04411	3.3
129.01828	2.6
131.03447	1.5
135.04387	3.9
146.03658	1.5
147.04408	2.0
149.01222	2.9
149.02356	42.3
149.05992	1.8
150.03145	65.2
151.03992	8.3
152.01031	4.0
163.03912	7.3
164.04720	29.2
165.05505	44.3
169.04959	2.1
175.00294	2.9
175.02385	4.1
176.01117	2.2
178.06236	2.8
179.07057	12.8
180.04245	3.8
181.05104	7.4
190.02608	6.9
191.03452	4.8
193.01346	4.8
195.06577	15.0
205.04990	6.0
207.02994	2.6
208.03754	10.6
209.04503	4.0
223.06090	24.1
231.05034	2.1
248.42747	1.4
249.06125	40.8
250.06401	2.7
267.07291	8.1
282.07465	2.5
283.08188	3.0
297.09705	3.6
411.12973	4.2
455.12070	4.0
469.13776	2.1
471.11298	4.3
472.12225	14.8
473.12939	14.3
487.15036	3.1
527.13818	2.2
651.19263	4.0
669.20319	100.0
670.20697	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	667.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66340	0.1
54.02575	0.1
54.94044	0.1
55.01783	0.1
58.00483	0.1
59.01249	1.7
69.93044	0.6
71.01250	1.6
73.02837	0.1
78.95821	0.1
80.89912	0.1
83.01302	0.1
84.79267	0.1
85.02817	0.2
85.50838	0.1
87.00773	0.3
89.02317	1.0
95.01260	0.2
97.06441	0.2
99.00784	0.1
101.02319	1.1
105.00355	0.1
113.02329	0.7
119.03418	0.3
123.08070	0.1
125.02309	0.1
125.09614	0.6
127.07543	0.1
127.11185	1.7
141.81781	0.1
143.03416	0.2
153.09088	0.6
161.04491	0.5
171.10181	100.0
172.10530	4.0
179.05510	0.3
214.87761	0.1
216.29617	0.1
235.08174	1.2
253.09262	4.9
254.09644	0.1
275.20291	0.1
277.21716	49.5
278.19016	0.2
278.22073	3.9
407.19208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18892	0.1
53.66348	0.2
54.47430	0.1
58.00472	0.2
59.01249	3.0
65.65679	0.2
69.93549	0.8
71.01254	2.1
73.02829	0.5
78.95774	0.2
79.89455	0.1
83.01266	0.4
83.04905	0.2
85.02830	0.6
87.00755	0.5
89.02327	1.1
90.94870	0.1
95.01273	0.3
101.02322	1.8
113.02337	1.0
119.03403	0.6
125.09616	1.0
127.07528	0.2
127.11178	1.9
143.03397	0.2
145.04956	0.3
153.09090	0.4
161.04530	0.8
171.10181	92.0
172.10518	3.4
179.05472	0.2
217.82683	0.1
233.22604	0.2
235.08202	2.8
236.08743	0.2
253.09262	6.7
254.09686	0.2
259.20544	0.3
275.20004	0.3
277.21713	100.0
278.22055	9.2
407.19168	0.5
503.46048	0.2
604.47998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.56903	0.8
71.57273	0.7
75.00768	1.5
85.02814	1.7
85.96202	0.7
113.02315	0.8
129.29080	0.7
163.21455	0.7
171.10167	1.3
195.13620	0.8
198.37021	0.7
209.11765	1.3
211.13477	0.9
234.38887	0.7
272.80771	0.7
277.21738	1.0
299.23285	0.9
631.38605	6.5
667.34393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03322	4.0
70.86405	1.4
71.01264	3.5
72.99187	1.4
75.00743	19.4
85.02821	16.0
95.01247	1.8
112.01561	1.4
113.02338	10.7
127.71124	1.3
138.68781	1.2
175.05302	1.1
229.24138	1.3
233.09470	1.2
270.33350	1.2
300.00375	1.2
402.32782	1.4
421.75137	1.3
455.35294	5.5
509.36380	1.8
555.36517	2.5
623.08392	1.6
631.38519	100.0
632.38800	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	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.9
57.03316	4.2
58.00463	2.4
59.01250	56.4
61.98698	1.0
69.03326	1.2
71.01255	51.5
71.58012	1.4
72.01566	1.3
72.99175	4.6
73.02823	11.1
75.00728	3.1
78.95767	2.6
83.01264	5.5
85.02822	22.1
87.00757	4.4
89.02316	25.0
93.06978	1.3
95.01258	6.6
96.95879	1.9
97.02841	2.1
99.00760	6.4
101.02319	34.8
111.00777	1.5
113.02338	20.2
119.03384	10.7
119.04894	1.4
125.02308	1.5
134.03590	1.8
143.03374	3.9
150.03102	2.6
150.09221	1.0
159.02795	1.4
160.01660	1.1
161.04478	7.7
163.03952	1.8
163.11182	1.5
165.05467	2.1
175.02374	1.2
175.03894	2.2
179.05511	4.5
195.06577	1.1
223.13373	1.6
245.76111	1.0
249.05959	1.4
255.02884	2.4
267.12253	1.3
301.20187	2.3
329.06570	3.4
375.23495	1.3
460.91666	1.1
487.32693	3.5
491.28690	1.5
505.18771	1.3
505.33902	21.3
506.34042	2.2
535.11969	1.1
667.39148	100.0
668.39746	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	665.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.5
57.03325	6.1
59.01252	49.2
63.34791	1.2
66.53001	1.1
66.82285	1.1
70.70573	1.2
70.87106	2.5
70.87446	1.4
71.01253	14.8
72.99201	3.3
73.02842	6.5
75.00751	23.4
83.01279	3.5
85.02824	26.8
85.03287	1.7
87.00766	4.6
89.02347	4.1
89.88628	1.1
95.01283	2.6
96.95913	3.6
97.02854	1.1
97.82755	1.1
99.00769	3.1
101.02324	7.9
111.00742	1.5
112.01546	1.3
113.02328	18.0
115.03876	1.2
120.01154	2.1
123.08097	1.3
125.02465	1.1
129.01814	1.7
132.03954	1.1
134.03699	2.5
135.08081	1.4
149.04456	1.2
150.80147	1.2
157.01436	1.1
161.04491	2.4
175.02496	2.7
193.05022	3.3
217.01534	1.1
220.31160	1.2
253.14507	7.8
254.14890	1.4
267.07288	2.1
300.73859	1.2
309.08801	1.4
348.83588	1.1
489.35236	6.9
507.35257	1.4
589.37610	3.0
623.34344	1.8
665.38989	100.0
666.39319	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	665.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35612	0.5
55.01752	1.2
57.03328	4.9
59.01254	11.8
68.99671	0.7
69.03332	0.6
69.25101	0.6
69.25430	5.9
71.01257	10.8
72.99187	3.0
73.02821	2.0
74.44843	0.5
75.00751	16.9
83.01245	1.4
85.02825	20.3
86.29160	0.4
87.00751	3.5
89.02299	2.4
95.01273	1.6
96.95900	1.6
99.00763	3.0
99.04400	0.6
101.02337	2.1
105.24485	0.5
110.82428	0.4
112.01548	1.0
113.02335	13.8
114.02668	0.5
115.00266	1.2
117.01816	0.8
117.03363	1.8
119.04940	1.3
129.01826	1.2
137.02290	0.5
145.02850	4.3
147.03352	0.5
151.00285	0.5
151.03842	0.7
157.01289	0.8
161.04541	0.6
163.03911	1.0
175.02420	1.1
175.03888	0.8
253.14452	0.9
260.89713	0.5
267.07217	1.6
268.07443	0.7
289.26202	0.5
307.08261	2.1
335.22470	0.6
415.10861	0.9
429.34335	0.6
441.33804	0.8
455.32306	0.6
457.33429	0.9
471.34686	0.8
489.35968	6.0
490.37225	0.5
517.30017	2.5
518.19934	1.2
519.20026	1.8
589.37659	1.9
665.39142	100.0
666.23260	0.8
666.39471	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	665.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.8
57.03321	4.1
59.01250	99.9
65.46755	2.1
69.03320	2.6
69.97996	13.8
71.01254	75.2
71.45626	2.4
72.99170	4.4
73.02821	14.5
74.09657	2.5
75.00751	3.1
83.01253	7.0
85.02822	35.7
87.00769	6.7
89.02318	29.0
95.01263	9.9
98.20507	2.6
99.00747	9.0
101.02333	34.2
113.02335	41.0
114.02806	2.5
119.03407	8.2
125.02332	6.1
143.03424	9.0
161.04462	12.6
185.55890	2.8
203.15002	3.1
232.17485	2.7
249.06081	4.9
267.07086	5.8
284.03009	2.5
399.23972	15.8
417.24847	12.1
561.29114	100.0
562.29639	13.6
579.30188	74.3
579.39380	4.5
580.30438	8.8
621.31232	10.4
665.27502	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	665.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
55.77287	0.8
57.03307	2.1
58.00440	1.1
59.00997	0.7
59.01252	9.5
67.01741	0.7
68.99664	0.8
69.03298	0.9
69.90686	0.6
71.01255	11.4
71.57507	0.7
71.57922	0.7
72.99192	4.9
73.02788	1.3
74.86342	0.6
75.00743	19.4
83.01247	0.9
83.75312	0.6
85.02824	13.8
87.00745	7.4
87.04372	1.0
87.61852	0.6
89.02295	1.4
92.25536	0.5
95.01242	2.0
96.95885	1.5
97.02802	0.9
97.21500	0.6
99.00751	4.0
101.02303	2.1
103.00236	1.2
113.02337	12.0
115.00226	2.2
117.01824	1.6
124.67551	0.6
129.01756	0.9
130.99731	1.1
157.01225	0.6
162.69150	0.6
163.03806	1.0
175.02357	1.6
312.98633	0.6
333.54901	0.7
384.73572	0.7
394.51944	0.7
395.29086	0.7
397.31003	1.2
429.29926	1.5
441.29919	3.0
445.33521	0.8
455.31454	1.1
459.31100	0.8
603.35162	2.7
647.33813	2.8
665.35468	100.0
666.35767	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	665.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.9
57.03333	3.9
58.37454	3.6
59.01250	100.0
60.01589	4.0
69.40181	36.1
71.01250	71.6
72.99186	12.3
73.02823	14.5
75.00747	9.9
75.53593	4.0
83.01278	11.4
85.02824	22.7
87.00758	11.1
89.02325	38.4
95.01274	6.3
96.95878	6.2
99.00751	10.1
101.02320	32.1
108.56068	3.4
111.00797	3.9
113.02325	42.1
119.03394	12.7
119.18102	3.4
125.02318	10.2
129.01872	6.2
134.03625	5.0
135.02861	5.2
143.03406	7.5
145.02885	5.6
151.00357	4.4
161.04460	8.6
163.03926	7.9
175.03915	7.0
179.05542	8.3
223.69687	4.7
255.03003	14.8
283.02499	5.3
284.03165	12.8
285.03976	6.4
343.81424	4.0
367.10355	10.1
399.23920	4.5
417.24518	6.2
561.29230	47.2
562.29657	8.9
579.30243	47.8
580.30658	15.7
621.31122	8.2
665.39728	6.3
684.76141	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	665.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.2
57.03317	4.2
58.00457	2.6
59.01252	79.9
64.53904	2.3
69.48313	5.0
69.48721	11.8
71.01258	58.8
72.99197	3.2
73.02819	12.4
75.27630	1.9
83.01262	7.3
84.12060	2.0
85.02832	29.5
87.00739	6.2
87.04394	2.5
89.02327	30.1
95.01260	2.7
99.00716	5.2
101.02327	37.9
101.61948	2.2
102.13122	2.2
112.01561	2.1
113.02338	35.2
119.03417	5.8
124.01572	2.7
125.02335	6.5
129.01834	2.0
143.03360	7.7
145.02754	2.3
158.58003	2.5
159.02866	2.4
161.04472	10.2
179.05542	4.5
228.27354	2.3
371.09579	2.2
379.66162	2.7
399.23856	7.1
417.24915	15.2
451.43707	2.1
561.29205	100.0
562.29388	13.2
579.30188	72.9
580.30499	14.2
582.30640	2.4
621.31360	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	665.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59301	1.3
54.51244	1.3
55.01765	2.6
57.03320	2.5
58.00470	3.8
59.01252	89.2
66.64352	1.2
69.03333	7.5
71.01254	58.5
71.42030	1.2
72.99184	5.6
73.02816	25.6
75.00745	2.7
78.98222	1.2
81.03319	6.0
83.01255	5.0
85.02824	23.9
87.00771	4.8
87.66951	1.2
89.01750	1.8
89.02316	33.9
89.46616	1.2
94.73466	1.4
94.77311	1.1
95.01251	2.2
96.95923	1.5
97.02827	9.8
97.06483	1.2
99.00778	3.4
99.04347	1.4
101.02328	54.1
101.03006	2.9
101.11301	1.3
102.02634	1.5
103.03893	34.4
103.41187	1.2
108.02016	2.3
109.02831	2.5
113.02320	6.2
115.03894	1.7
119.03390	21.1
121.02850	4.6
122.03636	1.8
123.00749	1.4
125.02334	47.4
126.02678	1.3
127.03944	3.5
131.03427	2.0
136.01558	87.9
137.01987	2.1
143.03432	5.4
145.04987	7.5
151.03915	100.0
151.88609	1.5
152.04221	2.8
162.03159	1.9
163.03926	2.5
163.06018	24.2
163.51506	1.2
164.06201	1.2
165.03915	3.1
177.05499	2.2
205.07092	2.6
208.78882	1.2
227.03377	2.2
243.02917	6.1
247.08194	12.3
255.02928	4.8
271.02481	8.8
284.03149	2.5
285.04044	3.1
299.01944	15.0
300.02576	5.1
307.10318	9.4
314.04306	15.5
315.05026	4.0
342.11047	3.6
357.13437	57.2
358.13763	5.3
517.18915	1.6
623.15979	2.7
645.91876	1.5
665.16479	13.6
666.17303	2.9
670.03235	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	664.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
61.98703	100.0
71.01257	0.5
72.48405	0.1
77.93573	0.2
78.06298	0.1
89.02334	0.5
101.02332	0.4
178.02705	0.2
184.34178	0.2
277.21768	0.5
278.22217	0.4
279.22449	0.3
575.46698	0.2
649.64111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3758
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01750	1.4
57.03328	4.7
59.01252	9.5
60.03665	0.3
62.40133	0.3
67.01734	0.6
68.99686	0.4
71.01255	10.6
71.04889	0.8
71.57951	0.5
72.99193	2.7
73.02822	1.3
75.00746	18.9
83.01246	1.6
85.02829	20.8
86.03144	0.4
87.00759	4.3
89.02296	2.1
95.01274	1.9
96.95873	1.2
99.00760	3.9
101.02314	1.7
107.01315	0.5
111.00790	0.5
112.01523	0.9
113.02336	15.3
115.00258	1.1
116.01057	0.8
117.01820	1.0
120.01122	0.5
128.03355	0.5
129.01810	1.0
134.03613	1.5
143.74521	0.5
157.01355	0.9
160.01556	1.2
163.03905	0.4
175.02394	1.0
175.03850	0.8
182.82526	0.3
193.04970	0.7
201.11374	0.5
225.76035	0.4
227.03441	0.5
246.37985	0.4
249.06142	1.1
255.02946	1.1
267.07300	2.0
283.02338	0.6
284.03232	0.7
329.12091	0.4
339.12299	0.6
439.32181	1.4
443.11948	3.2
444.12726	0.5
453.30005	0.5
455.31644	1.1
469.33414	0.5
485.32510	0.9
487.34421	10.5
488.34702	1.7
543.33942	0.7
557.15643	0.5
582.18445	0.4
587.36115	3.2
588.36774	0.6
663.37524	100.0
664.37915	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	663.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03326	2.6
59.01254	7.7
69.03317	0.6
70.34670	0.5
70.81910	1.5
71.00892	0.9
71.01257	11.2
72.99168	0.6
73.02811	3.4
78.95790	0.7
81.03324	0.9
83.01251	1.6
85.02820	4.7
85.06454	0.8
85.99923	0.8
87.00745	1.1
89.02327	3.5
91.36205	0.4
93.03251	0.5
95.01251	0.9
95.04887	0.7
96.38480	0.4
97.02819	1.4
97.06460	0.6
99.00751	2.3
99.04368	0.7
101.02324	10.4
107.04934	1.2
109.06439	1.1
113.02344	4.3
119.03377	1.9
123.08043	18.5
124.08428	0.6
125.02349	0.9
125.06007	1.0
125.09617	1.8
135.08073	0.8
136.05205	0.9
141.09128	0.9
142.02591	0.7
143.03407	1.1
145.10063	0.7
146.07259	1.4
151.07550	3.3
153.09160	0.8
157.06596	0.5
159.02878	0.7
161.04457	2.3
161.09628	11.4
162.09984	0.7
164.08298	1.2
169.08591	0.8
177.12679	0.5
178.09882	0.8
179.10680	4.4
187.11218	2.7
190.09802	0.7
191.10677	1.1
205.12277	13.8
206.12636	0.8
223.13347	22.7
224.13692	1.3
241.14429	39.1
242.14784	1.9
265.14380	0.9
277.21716	100.0
278.22104	8.1
283.15652	1.2
291.23199	0.8
373.37329	0.5
385.18671	6.9
403.19705	21.3
404.20184	2.1
408.92267	0.6
663.41071	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	663.3754
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01759	1.4
57.03327	4.2
59.00996	0.3
59.01254	4.4
67.01763	0.5
68.99691	0.5
69.03332	0.5
69.42185	1.4
69.42589	0.5
71.01255	8.2
72.99177	2.3
73.02810	0.8
75.00748	20.2
83.01270	1.1
84.02057	0.3
85.02824	21.5
86.03152	0.2
87.00756	3.1
89.02315	1.1
90.47992	0.2
91.70452	0.2
95.01267	1.8
96.95894	0.9
99.00760	3.3
101.02313	0.6
102.60964	0.2
103.00199	0.3
111.00776	0.2
112.01540	0.7
113.02332	15.2
114.02665	0.4
115.00247	1.0
116.01051	0.5
117.01806	1.2
120.85663	0.2
121.64625	0.2
129.01846	1.0
146.24100	0.2
155.56473	0.2
157.01334	1.1
169.36841	0.2
170.13351	0.2
175.02428	1.1
175.03746	0.3
237.07564	0.2
353.33398	0.2
428.74368	0.2
439.32281	0.8
455.31708	1.3
469.33066	0.3
485.32410	1.2
486.33133	0.2
487.34460	6.1
488.34567	1.3
543.33527	0.6
587.35645	1.2
603.35571	0.3
663.37506	100.0
664.37860	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	663.3754
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01745	1.0
57.03329	3.9
59.01254	4.8
61.98689	1.3
67.01732	0.7
68.99690	0.9
69.03328	0.7
69.43793	4.9
70.41180	0.5
71.01255	11.4
72.99171	8.2
73.02825	1.5
75.00750	25.4
77.36854	0.5
83.01247	1.9
85.02825	26.6
85.99987	0.6
86.51860	0.5
87.00755	19.3
89.02306	0.9
95.01260	2.3
96.95877	0.7
97.02844	0.5
99.00755	2.4
101.02327	1.4
103.00222	1.2
111.00772	8.2
112.01546	0.9
113.01615	0.9
113.02332	10.6
115.00246	2.1
116.01028	1.3
117.01843	1.3
121.36710	0.6
129.01843	3.4
148.15366	0.5
150.28262	0.5
157.01335	1.9
159.02910	0.8
173.00816	1.6
175.02364	1.5
179.35909	0.5
187.57166	0.5
191.01901	6.2
205.15854	0.8
211.13367	0.6
217.15933	0.8
233.11575	0.9
301.12888	0.9
315.14365	2.5
327.14429	2.3
329.16083	2.0
362.30588	0.6
367.17636	8.2
368.17883	1.2
369.19244	6.3
370.19580	0.8
382.19812	2.8
383.20758	15.2
384.21198	2.1
395.20972	1.0
411.20233	0.7
414.18912	6.0
416.20593	5.5
453.34079	0.9
531.44159	0.6
548.81958	0.8
615.35571	1.4
629.36780	0.7
630.37866	2.4
631.37622	0.7
645.36932	2.4
663.37512	100.0
664.37897	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	663.3751
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01750	1.4
57.03327	5.0
59.01256	5.0
60.47265	0.4
67.01699	0.4
68.99701	0.7
69.03333	0.5
71.01253	10.2
72.99181	3.6
73.02824	0.8
75.00745	19.0
83.01275	0.6
84.02051	0.6
85.02824	19.5
87.00764	4.1
89.02309	1.1
95.01247	1.9
99.00770	4.3
101.02333	0.4
112.01575	0.7
113.02334	15.1
115.00259	1.1
116.01127	0.8
117.01806	1.3
124.57647	0.4
129.01831	1.0
134.56926	0.4
138.90034	0.4
157.01311	1.3
175.02377	1.1
191.91052	0.4
202.63240	0.5
227.40623	0.4
266.60928	0.4
395.29633	0.5
421.30856	0.4
435.29349	0.4
437.30545	3.1
438.30829	0.5
439.32285	0.5
455.31580	1.5
467.31805	3.0
468.32050	0.7
469.33334	1.3
485.32388	0.6
487.34341	1.4
663.37500	100.0
664.37769	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	663.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08253	1.0
57.03320	3.7
57.42768	1.0
57.65403	0.9
59.01250	15.7
61.98685	1.0
66.11727	0.8
71.01256	22.2
71.58152	1.0
72.99186	8.3
73.02828	1.7
75.00751	24.0
78.95772	1.2
83.01226	0.9
83.04899	0.9
83.85211	0.9
85.02831	23.2
85.16121	0.9
87.00759	8.1
89.02311	3.2
95.01261	1.9
99.00758	4.1
99.79752	0.8
101.02330	2.1
113.02339	17.8
115.00272	1.4
116.01020	2.2
116.53953	0.8
116.92729	6.1
117.01833	1.9
119.03423	1.3
129.01851	1.1
169.87700	0.9
174.89047	0.9
181.21140	0.9
211.13507	0.9
287.93756	0.9
352.26566	0.9
421.30914	1.0
488.20834	1.0
601.37744	5.4
645.36536	2.9
645.89886	1.0
663.37549	100.0
664.37982	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	663.3752
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01749	0.7
57.03334	3.3
59.01256	5.9
67.12470	0.5
68.79774	0.4
71.01257	18.4
72.99178	4.4
73.02788	0.5
75.00745	15.7
76.01096	0.6
81.22756	0.5
85.02825	18.5
87.00751	4.4
89.02325	1.8
90.18193	0.5
95.01266	0.6
99.00756	1.9
113.02340	14.3
115.00271	1.0
116.01049	0.7
117.01833	4.6
171.69353	0.4
175.02319	0.7
451.31906	0.6
467.31830	0.5
469.33008	1.3
487.34433	1.9
551.63110	0.5
663.37524	100.0
664.37885	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	663.3752
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01749	1.8
57.03328	5.7
59.01254	5.7
67.01750	0.8
68.99689	1.0
69.42358	4.1
71.01254	10.3
72.99196	2.8
73.02808	1.5
75.00750	28.8
83.01263	1.4
84.02024	0.6
85.02827	26.9
86.03184	0.7
87.00735	2.8
89.02350	0.5
95.01259	2.6
99.00761	3.7
101.02335	0.9
113.02340	15.9
115.00256	1.4
116.01020	2.0
116.92727	2.9
117.01855	1.1
129.01826	0.5
141.48148	0.5
157.01286	0.6
175.02460	0.8
179.10675	2.0
190.16647	0.6
274.72769	0.6
341.65317	0.5
375.30334	0.8
421.31192	1.8
439.32150	1.0
441.32739	0.9
469.33301	0.8
483.35336	0.5
487.34232	0.8
601.37488	5.0
602.38440	0.6
645.36395	2.0
646.35687	0.8
662.36487	0.8
663.37421	100.0
664.37805	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	663.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70356	0.4
53.68975	0.4
55.01753	1.5
57.03327	4.2
59.01253	5.1
61.89241	0.5
61.98704	0.5
64.45186	0.5
71.01260	11.0
72.99191	2.3
73.02813	0.7
75.00748	17.5
83.01270	0.6
85.02824	21.6
87.00754	4.0
89.02319	1.4
89.71721	0.5
95.01272	2.3
96.29986	0.5
98.20670	0.8
99.00749	3.0
99.92443	0.7
101.02329	0.7
111.00742	0.4
112.01550	1.0
113.02339	14.9
115.00280	1.6
116.01065	0.8
116.92746	4.4
117.01830	1.2
128.47520	0.5
129.01825	0.7
135.24872	0.4
141.59377	0.4
157.01335	1.1
175.02403	0.8
231.25261	0.5
279.52353	0.4
322.22153	0.4
379.30298	0.6
409.30960	0.5
425.30612	0.7
439.32278	2.7
440.32541	0.6
455.31702	1.5
456.32187	0.6
469.33279	1.1
485.32440	1.5
487.22867	0.5
487.34402	10.3
488.34720	1.4
543.33038	0.7
547.46484	0.5
587.35834	2.0
663.37500	100.0
664.37854	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	663.3748
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
55.01752	3.3
57.03322	6.0
59.01250	23.1
62.02978	1.5
69.37502	12.6
71.01250	17.8
72.99187	5.0
73.02842	4.3
75.00750	23.5
83.01270	3.5
85.02824	26.0
87.00759	4.2
89.02326	2.5
95.01273	4.2
96.95901	4.6
99.00774	5.4
101.02305	7.4
112.96900	1.5
113.02329	15.9
119.03413	2.0
119.05000	1.2
129.01846	1.9
138.74709	1.3
144.18829	1.2
145.02869	2.1
175.02516	1.5
191.01935	2.8
204.03142	1.2
255.23364	3.2
267.07144	2.9
471.26324	1.8
487.34290	3.2
517.19476	3.8
601.37543	4.2
619.37750	1.4
645.36401	2.1
663.37604	100.0
664.38202	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	663.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90506	1.1
55.01737	1.1
57.03323	8.1
59.01253	39.3
66.12944	1.3
67.01791	1.2
68.99693	2.1
69.03344	1.3
69.41620	10.7
71.01254	34.1
72.99194	8.8
73.02805	3.9
75.00751	23.0
83.01247	2.3
85.02824	41.8
86.03162	2.4
87.00753	15.4
89.02327	11.8
93.03303	1.9
95.01266	9.1
99.00760	15.7
99.04372	1.3
101.02342	2.1
103.00238	5.1
107.04902	2.0
113.02335	57.3
114.02558	1.3
115.00260	4.4
116.52759	1.3
117.01813	3.5
117.03343	16.9
119.04916	23.5
121.02838	1.4
129.01826	4.3
131.03368	2.7
135.11731	1.7
139.85997	1.1
145.02861	54.9
146.03210	2.4
157.01332	1.7
161.09604	4.3
161.13266	2.8
163.03922	19.1
163.11223	2.2
175.02397	3.9
179.10677	2.1
187.11192	2.8
189.09111	2.2
193.03398	3.0
193.05046	1.1
205.07106	1.3
205.12282	2.7
207.05002	2.2
207.10124	1.9
219.06604	1.3
223.13289	2.6
237.07556	2.4
249.06114	22.4
250.06529	1.4
267.07217	100.0
268.07452	5.0
302.93176	1.1
334.81793	1.2
351.10876	1.8
395.09796	5.3
413.10889	43.4
414.11249	5.1
455.18967	2.4
457.17221	1.9
487.19617	2.2
499.18219	3.8
517.19269	77.0
518.19525	9.2
603.20691	2.3
645.22852	1.2
663.22931	89.6
663.35846	4.8
664.22943	16.9
664.32245	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	663.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	9.0
59.01255	39.8
67.81816	1.6
68.99680	2.4
69.03320	1.4
71.00848	1.7
71.01254	33.4
72.99184	9.1
73.02817	5.0
75.00747	22.8
83.01241	2.6
83.04900	1.8
83.23569	1.7
85.02825	41.5
87.00756	16.9
89.02318	8.5
95.01267	7.8
99.00769	15.7
101.02324	3.1
103.00238	3.8
113.02328	51.5
115.00265	3.8
117.01854	2.7
117.03351	14.9
119.04930	21.2
121.02849	2.3
124.36836	1.4
125.02341	1.4
129.01833	2.9
131.03387	2.3
145.02861	54.0
146.03226	2.6
149.02362	1.9
161.09518	1.9
161.13263	2.4
163.03914	23.7
163.11221	3.6
175.02400	4.5
187.11226	3.7
189.08980	2.5
193.03436	3.2
205.12254	3.5
207.04999	2.4
207.10269	2.7
223.06021	4.8
223.13312	2.6
228.70856	1.5
237.07584	3.2
249.06152	18.4
267.07214	95.8
268.07513	2.9
299.23758	1.6
351.10736	2.1
395.09708	7.5
413.10941	41.2
414.10999	4.1
415.50729	1.7
440.69989	1.5
455.19250	3.9
457.16879	3.6
487.19867	3.4
499.18100	4.3
517.19238	100.0
518.19611	15.1
603.20892	2.9
626.39435	1.8
637.22687	1.5
645.21985	1.9
663.22943	95.8
663.35199	5.7
664.23285	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	661.3958
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
55.01764	1.7
56.31630	0.3
57.03322	5.8
59.01251	3.4
60.30969	0.3
67.01759	0.8
68.15675	0.3
68.99686	1.1
69.03348	0.4
69.87108	1.1
69.87516	0.5
71.01254	6.7
72.99174	3.7
73.02827	0.5
75.00746	26.7
83.01266	0.9
84.02025	0.5
85.02824	25.7
85.99929	0.4
87.00742	2.9
89.02360	0.7
90.74986	0.3
95.01256	3.1
97.06506	0.4
99.00755	2.7
101.02354	0.4
102.47859	0.3
103.00231	0.4
105.70747	0.3
111.00826	0.4
112.01569	1.1
113.02334	11.8
115.00281	1.1
116.01044	2.7
117.01825	1.1
129.01860	1.0
130.99754	0.3
138.46706	0.3
147.88890	0.3
157.01297	1.6
171.10149	0.6
175.02332	0.6
176.76997	0.3
193.03491	0.3
362.68439	0.3
364.97794	0.3
389.28674	0.4
391.29819	0.4
405.31546	0.7
407.33392	0.7
441.33835	0.5
451.32144	3.5
452.32465	0.6
453.33829	2.7
483.34613	0.4
507.34680	1.2
509.32529	0.3
553.35406	0.7
643.38354	0.6
661.39569	100.0
662.39954	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	661.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03320	4.3
59.01253	8.7
60.37461	0.8
61.98705	1.0
68.99713	1.3
69.03315	1.4
71.01252	12.4
71.57841	1.8
72.99187	4.7
73.02824	2.1
75.00748	26.7
83.01265	2.7
85.02821	23.2
87.00747	4.2
95.01302	2.2
96.95906	1.0
99.00746	3.7
101.02315	1.4
108.38377	0.9
110.28317	0.9
113.02335	16.2
115.00312	1.3
116.01075	1.5
117.01807	1.3
119.67064	0.9
129.01834	1.1
157.01373	1.5
164.31914	1.1
175.02374	1.3
204.03659	0.9
209.23300	0.8
211.13394	3.7
212.13696	2.2
245.56781	1.1
251.08539	0.8
318.74664	0.9
357.79724	0.9
425.22995	1.0
439.32278	2.5
453.10461	1.1
467.31662	0.9
485.32794	2.7
499.28732	1.3
661.35931	100.0
662.36444	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	661.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03328	3.4
58.00454	1.1
59.01253	27.1
60.01585	0.4
67.01761	0.6
69.03339	0.6
71.01255	22.3
72.99186	34.6
73.02396	0.4
73.02817	9.3
75.00739	1.4
83.01263	1.1
85.02826	23.7
86.03123	0.6
86.53072	0.3
87.00750	1.7
89.02323	9.1
95.01261	4.0
99.00764	2.4
101.02330	9.7
102.02673	0.3
103.00259	10.3
113.02335	30.5
114.02617	0.5
115.00246	1.0
116.92760	0.4
117.01839	0.4
129.01797	1.9
129.46442	0.3
131.03403	4.9
133.01324	4.4
157.01309	2.0
163.02409	1.5
175.02374	2.4
182.70132	0.3
193.03476	25.7
193.17702	0.4
211.13138	0.4
374.09201	0.4
395.33069	0.4
423.32581	0.7
441.33615	2.3
485.32645	4.1
486.32834	0.5
516.85547	0.3
617.37067	1.0
661.35931	100.0
662.36273	17.2
662.47571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.7
59.01251	9.2
61.63467	0.5
63.27668	0.5
67.01746	0.5
68.99692	0.9
69.40469	4.8
71.01253	14.6
72.99183	7.0
73.02829	1.9
75.00751	20.7
83.01266	1.0
85.02828	26.4
87.00751	3.1
89.02335	2.8
95.01263	2.2
95.30964	0.5
96.95928	0.6
99.00753	4.1
101.02328	2.4
103.00243	1.1
113.02335	18.7
115.00218	1.5
116.00948	0.5
116.92742	0.8
121.95370	0.5
129.01826	1.3
131.03412	0.6
140.92786	0.6
142.40840	0.6
157.01314	1.0
175.02379	1.2
182.85158	0.5
193.03510	4.3
211.13377	0.9
247.71609	0.6
280.32755	0.7
334.13287	0.6
336.50116	0.6
409.28070	0.7
436.26807	0.6
453.30234	0.7
485.33408	0.7
661.35938	100.0
662.36261	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	661.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04248	0.4
55.01749	1.1
57.03323	3.6
59.01259	4.1
60.80280	0.3
61.09538	0.4
67.01743	0.4
71.01258	8.0
72.99186	3.1
75.00749	13.8
76.91110	0.3
83.01234	0.4
85.02825	16.1
87.00755	3.4
89.02328	1.0
95.01270	1.4
98.19740	0.9
99.00758	3.7
112.01504	0.5
113.02330	10.2
114.02631	0.5
115.00242	0.8
116.01043	0.8
117.01801	1.3
129.01865	0.6
133.45724	0.4
142.10194	0.4
142.12502	0.4
157.01309	0.9
175.02348	0.6
181.39891	0.4
193.88437	0.4
217.12178	0.4
230.63219	0.5
266.18881	0.4
317.87613	0.4
391.29996	1.1
405.28046	0.4
407.29761	0.5
425.29922	0.4
437.30627	0.9
439.32214	11.2
440.32422	1.2
451.28375	0.6
483.30276	0.4
485.32916	3.3
541.31915	0.5
585.34521	0.5
658.74628	0.4
661.35950	100.0
662.36316	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	661.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03346	2.5
57.03566	0.5
58.00459	0.9
59.01253	24.9
64.06548	0.6
69.03340	0.9
69.38045	3.1
69.38470	1.8
71.00854	0.5
71.01257	22.2
72.99181	31.7
73.02821	8.8
75.00749	2.5
83.01244	1.4
85.02826	22.2
86.03175	0.6
86.36079	0.5
87.00771	1.6
89.02319	7.4
95.00778	0.6
95.01263	5.2
96.95872	0.7
99.00753	2.0
101.02325	8.7
103.00258	8.0
103.03840	0.7
113.02336	27.0
115.00232	1.0
116.18773	0.5
123.08054	1.1
129.01805	1.9
130.57628	0.5
131.03419	3.6
133.01347	2.8
149.04463	0.9
157.01265	1.6
163.02409	1.0
175.02380	2.7
189.12701	0.7
193.03467	22.3
194.03781	0.6
439.32663	0.6
467.31589	1.2
485.32813	5.4
486.33047	1.1
524.27301	0.6
590.61450	0.5
661.35931	100.0
662.36279	20.7
675.91760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66932	1.1
57.03312	4.7
59.01241	3.4
61.61092	1.0
69.26890	11.1
71.01247	4.0
72.99171	2.3
75.00745	20.7
83.01271	1.1
85.02825	20.8
87.00750	2.4
95.01256	3.3
97.02884	0.9
98.20526	1.6
99.00733	2.1
111.77875	0.9
112.01572	1.4
113.02328	11.4
116.01012	3.9
123.08006	1.6
171.24635	1.0
175.02455	1.4
214.52829	1.1
223.71155	1.0
282.36615	1.1
385.21420	1.0
441.33578	2.5
485.32681	2.8
528.45514	1.1
530.32813	1.2
637.56989	1.3
661.35944	100.0
662.36267	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	661.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19988	0.6
51.64531	0.7
52.98761	0.6
57.03317	2.5
59.01251	24.1
69.03339	1.0
71.01257	18.7
71.58244	1.3
72.01566	0.7
72.99182	34.3
73.02826	6.1
75.00747	2.7
76.41543	0.7
83.01249	1.3
85.02824	21.5
87.00734	1.6
89.02316	9.4
95.01273	3.9
99.00748	1.7
101.02327	9.4
103.00254	7.3
111.00774	1.0
113.02337	29.4
115.00231	0.7
129.01825	2.3
131.03383	4.3
133.01318	2.7
147.90015	0.6
157.01317	1.7
163.02382	1.2
171.10181	2.1
173.04207	0.7
175.02365	2.0
193.03467	19.9
211.13338	3.5
272.90356	0.7
277.23969	0.8
343.41479	0.7
344.53494	0.7
358.89847	0.7
404.74084	0.7
467.31674	0.8
471.34686	1.4
472.37015	0.8
485.32828	5.8
486.33282	1.0
601.36499	0.8
661.35925	100.0
662.36285	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	661.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40630	0.5
56.74025	0.6
57.03319	2.3
58.00461	1.0
59.01254	28.8
65.22599	0.6
69.03328	1.1
71.01254	21.4
71.05782	0.8
71.06117	1.4
72.99183	35.2
73.02824	8.0
75.00752	1.6
83.01266	1.5
85.02828	22.0
87.00747	1.3
89.02321	9.2
89.71110	0.6
95.01270	5.4
99.00742	2.1
101.02332	9.2
101.05014	0.6
103.00255	8.3
113.02334	30.7
114.02645	0.9
119.03384	0.6
129.01843	2.1
131.03395	4.8
133.01311	3.6
157.01329	1.6
163.02356	0.9
166.66885	0.6
171.10187	1.4
175.02399	2.8
193.03471	25.9
211.13226	0.6
247.79659	0.6
275.58539	0.6
276.75391	0.7
309.43570	0.7
418.89951	0.7
467.31500	1.0
485.32770	5.1
486.33005	0.8
661.35944	100.0
662.36255	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	660.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	1.3
66.17952	0.5
71.01256	0.6
71.57058	0.5
71.57405	0.7
78.95786	1.5
80.38706	0.6
83.57269	0.6
98.64948	0.5
102.18129	0.5
132.33736	0.6
141.01601	71.5
142.01978	1.3
152.99535	0.7
165.31477	0.5
277.21796	0.6
279.23318	3.8
364.83832	0.5
504.31021	2.6
550.27380	0.6
648.76782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.6
57.03328	1.5
58.00461	1.9
59.01252	46.4
61.98676	0.8
68.99670	1.0
69.03320	2.4
71.01255	44.0
72.01605	0.7
72.99184	4.6
73.02821	6.7
75.00745	2.2
81.03329	2.5
83.01257	5.1
85.02824	10.3
85.99959	0.5
87.00756	10.8
88.46937	0.5
89.02319	38.4
91.03846	0.7
93.03339	0.6
95.01276	3.6
96.95898	0.6
97.02836	8.4
99.00755	3.1
99.04410	0.8
101.02322	37.6
103.03860	1.1
111.04395	1.5
113.02330	20.4
115.03883	1.3
119.03380	14.8
121.02816	1.1
124.01506	0.6
125.01441	1.0
125.02342	15.9
131.03380	1.6
133.04958	1.6
139.03851	1.1
143.03415	7.6
149.04433	1.6
161.04465	7.4
167.03398	0.9
171.10251	1.0
179.05531	7.8
185.04387	0.8
199.06000	1.3
217.07080	1.7
221.06604	3.0
235.08191	16.9
244.65363	0.7
245.06654	0.9
253.09239	5.5
263.07706	1.8
263.20145	100.0
264.20462	8.5
265.14441	0.7
277.09229	2.2
287.07797	3.6
305.08859	3.5
323.09796	1.6
379.12427	1.6
397.13486	80.5
398.13818	5.4
415.14560	36.8
416.14908	2.7
661.36566	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40920	0.2
51.23489	0.2
59.01252	100.0
59.66239	0.3
60.01595	1.1
63.71322	0.2
70.00101	0.3
70.38602	0.2
70.46094	0.3
75.44131	0.2
77.59550	0.3
78.95788	1.0
99.22883	0.3
112.52348	0.3
129.68483	0.3
152.99480	0.5
228.75917	0.3
587.22827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48395	0.8
53.52581	0.9
56.23018	0.8
59.01254	100.0
71.05069	0.9
78.95792	1.9
78.96278	0.8
81.70570	1.0
98.19775	2.5
108.02006	1.0
161.91156	0.9
171.78909	0.9
182.04924	1.2
229.73958	1.3
229.75909	1.0
233.44307	1.0
255.23253	4.2
423.24979	1.4
602.26233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48881	0.4
59.01239	1.7
66.53156	0.5
67.96008	0.5
69.78284	0.4
69.99277	2.3
71.01260	0.6
78.95776	1.6
84.07883	0.5
98.20493	0.6
106.90419	0.5
152.99449	1.1
171.00523	0.6
171.10194	3.8
209.11787	3.1
409.31055	1.8
455.31653	100.0
456.31955	12.6
497.32785	5.4
498.33035	0.7
587.82227	0.5
659.38434	2.2
660.37134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26572	0.4
54.16187	0.5
57.03327	0.6
59.01256	5.3
59.15156	0.6
59.51339	0.4
62.37191	0.5
71.01254	3.3
71.58769	0.9
71.91758	0.4
72.99181	1.1
73.02823	0.8
85.02833	0.8
87.00742	0.7
89.02335	1.6
91.70784	0.5
96.95912	1.5
97.02863	0.4
101.02325	2.7
101.05429	0.5
108.08078	1.5
113.02340	1.9
116.92741	0.5
119.03431	0.4
122.06010	1.5
131.03409	0.7
131.04388	0.5
134.06064	0.8
137.09555	0.5
144.82747	0.4
148.07593	1.8
150.05475	0.6
160.73788	0.4
161.04486	0.8
169.12227	0.5
171.10159	0.9
173.07129	2.7
175.27916	0.5
182.51216	0.4
183.13834	6.1
186.09294	0.6
193.03517	1.7
193.12280	1.7
199.13287	0.5
204.06763	0.6
209.11867	0.9
210.12080	0.7
211.13348	100.0
212.13695	6.6
225.10361	0.6
227.12920	0.6
235.08253	0.7
253.09352	6.3
253.13478	0.8
257.12939	0.9
267.07773	0.9
267.11227	0.6
279.11279	0.6
281.09311	0.5
282.10229	0.7
295.10889	1.1
297.12390	1.3
323.10394	3.2
341.11435	0.5
355.13275	0.6
367.09622	0.7
387.25494	0.7
399.12143	1.4
405.26495	1.3
447.22333	7.4
448.23059	0.9
497.28195	0.7
543.26239	1.1
547.23560	1.0
565.24438	1.2
583.25824	0.8
591.22144	0.8
609.23157	1.4
627.24664	2.9
628.25696	0.6
641.26074	1.0
641.35431	4.3
642.35394	0.7
659.26331	7.8
660.27777	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	659.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39168	5.6
59.01261	12.3
61.98712	10.2
63.08525	5.8
71.01273	7.3
73.56897	5.6
78.95794	17.0
80.96397	32.9
91.54379	6.8
92.05855	6.7
111.35391	6.2
119.24519	5.8
136.89653	6.6
145.25328	6.2
152.99475	14.2
188.29678	6.4
211.13206	6.2
299.04163	7.9
393.93433	6.3
409.12329	7.6
431.30792	6.6
440.42633	6.8
455.35306	100.0
456.35669	11.0
518.23816	6.5
577.27197	33.3
623.34406	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	659.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
57.03316	2.4
58.00466	1.1
59.01252	25.5
69.03321	0.9
70.54005	1.4
70.54377	1.2
71.01257	25.2
72.01617	0.7
72.99184	36.3
73.02821	8.7
75.00743	2.3
78.95786	0.9
83.01266	0.9
85.02824	22.1
87.00756	2.0
89.02317	8.6
95.01270	4.4
96.95913	0.8
99.00767	2.4
101.02334	9.4
103.00262	8.2
113.02335	28.8
114.02695	0.6
126.07239	0.6
129.01807	2.6
131.03406	6.2
133.01312	3.0
134.99374	0.6
136.07478	0.7
141.85501	0.7
152.99573	0.6
157.01321	2.1
163.02394	1.6
169.78047	0.6
171.10208	1.1
175.02400	2.3
183.13803	2.6
193.03474	21.2
209.11856	1.2
211.13263	3.5
213.14871	1.1
227.11664	0.6
278.99445	0.6
296.58420	0.6
483.31287	4.9
484.31622	0.8
583.25830	1.1
647.37836	0.9
648.38287	1.2
659.34424	100.0
660.34613	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	659.365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05236	0.3
56.57475	0.3
57.05309	0.3
59.01253	3.5
61.98706	0.7
62.29939	0.3
69.03314	0.5
71.01252	2.0
72.99187	0.4
73.47849	0.3
75.00735	0.4
77.02695	0.3
82.70155	0.3
83.01221	0.4
85.02824	0.6
87.00735	0.7
88.98677	0.4
89.02309	1.7
90.12592	0.3
96.95915	0.6
98.20622	0.6
101.02319	1.8
113.02308	1.1
148.54872	0.4
155.57173	0.3
161.04459	0.7
164.27373	0.3
165.12817	0.4
167.14326	0.6
171.10274	0.6
175.87001	0.3
183.12173	0.4
183.13821	7.1
185.11757	0.5
193.12311	1.6
209.11809	1.0
211.13345	100.0
212.13687	6.7
235.08348	0.5
253.09308	6.1
387.25357	0.4
405.26447	1.1
406.26477	0.4
447.22324	7.5
447.28067	0.6
448.22729	0.5
482.21564	0.3
641.35345	4.3
642.35345	0.6
659.34747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41369	0.9
52.96669	1.0
59.01245	3.1
63.96110	1.7
67.63956	1.1
70.68914	1.1
71.01252	7.1
71.57997	1.1
73.02805	1.3
78.95770	2.1
78.98477	4.9
79.95603	8.7
80.96391	53.9
81.03329	1.3
85.02812	3.3
87.00766	2.2
94.97954	14.3
96.95914	1.3
97.02827	1.3
101.02312	2.3
106.98046	1.9
109.57608	0.9
122.97469	5.8
125.02326	3.5
134.97435	2.8
136.98990	2.0
148.99063	5.7
152.98506	7.1
164.98547	9.3
182.99564	1.3
185.57596	1.1
206.99614	3.4
210.12077	1.0
211.13402	1.2
225.00682	17.4
242.06813	1.1
243.01733	1.9
266.53903	1.0
277.21719	2.8
299.04297	6.9
381.03653	2.4
455.35370	2.5
502.91373	1.1
577.26868	100.0
578.27155	16.5
599.23328	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	658.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01602	1.1
61.98695	0.9
71.57336	1.2
78.95786	1.0
79.95603	0.9
80.96394	4.2
82.54362	0.7
87.43256	0.8
92.67515	0.8
107.43045	0.7
131.96667	0.7
141.01602	75.3
142.01859	0.9
164.98590	1.0
176.07144	1.1
209.11858	1.0
211.13451	1.0
225.00807	1.2
246.04065	1.4
247.04495	1.0
277.19131	0.8
277.21680	3.7
299.04608	0.7
333.83252	0.8
410.20905	1.3
411.21054	2.2
425.95090	0.9
502.29544	2.7
545.67682	0.8
548.96637	0.8
577.26947	8.3
582.24164	0.9
626.23193	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	659.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.0
59.03266	1.6
61.94748	1.7
71.01247	12.6
73.02818	7.5
75.00758	2.6
76.64314	1.7
81.49732	2.1
83.01228	2.4
84.47977	2.0
85.02803	3.9
85.06454	2.1
86.11327	1.7
87.00762	2.6
89.02303	5.6
96.95889	2.6
101.02364	9.9
106.97147	1.7
113.02298	3.0
120.08089	2.1
122.06005	9.3
134.05991	2.2
135.04381	5.2
138.05557	2.0
144.04454	2.2
146.05959	4.1
148.07600	16.1
150.05484	3.2
151.00266	2.3
159.02968	2.5
161.04539	2.0
162.05519	2.2
171.10258	2.1
172.03914	5.7
173.07130	23.6
174.05415	3.6
183.13786	5.3
186.09222	2.5
190.04927	1.9
199.35152	1.8
200.03467	3.4
203.11798	2.6
204.06561	5.3
209.11778	7.1
210.11964	1.9
211.13356	100.0
212.13603	7.4
216.02959	1.8
238.11111	2.1
241.09784	2.5
251.11719	3.0
253.09319	10.8
253.13351	3.8
255.11441	3.7
257.12976	2.0
264.08908	2.1
266.06851	2.7
267.07788	4.0
269.12936	2.2
275.20172	2.9
279.07727	4.4
279.11255	5.3
280.08511	4.2
281.09241	5.2
282.09946	5.2
285.12283	3.1
290.06900	2.9
293.21295	3.2
295.10794	11.5
297.12466	31.6
298.12540	2.1
305.09238	2.7
314.09134	3.3
323.06943	2.9
323.10361	45.2
324.10757	4.3
340.12875	2.5
341.11328	2.9
349.08173	3.2
353.03226	1.8
355.12897	6.7
367.09344	11.0
399.12000	17.2
447.22247	7.4
455.26077	2.2
497.27502	15.4
537.25177	3.2
547.23804	11.1
548.23706	2.6
557.44098	1.9
565.23932	8.0
583.25183	8.0
591.22797	10.4
609.23309	8.2
615.29987	5.8
623.24841	10.6
624.25488	2.8
627.15710	3.0
627.24689	32.9
628.24719	6.1
641.25909	11.4
641.35358	5.5
659.27032	69.7
660.27386	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	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22449	0.6
57.03312	1.6
58.00477	0.7
59.01252	13.3
64.90265	0.6
69.03335	1.1
71.01254	8.5
72.99176	0.8
74.65894	0.6
76.85933	0.6
78.04124	0.6
81.03348	0.9
83.04900	3.9
85.02814	2.9
85.06454	1.6
87.00721	0.9
89.02325	7.0
90.05687	0.6
94.48647	0.6
95.01287	0.8
95.04896	0.9
96.95858	1.7
97.06470	2.3
99.00757	1.2
101.02328	5.7
107.08527	1.0
109.06469	2.3
111.08060	5.0
113.02344	4.0
119.03385	1.1
119.04926	1.1
123.08006	0.9
123.98819	0.7
124.48633	0.7
125.09612	6.2
127.11254	0.7
129.09058	0.7
135.08060	1.0
137.09648	1.4
149.09605	0.7
161.04449	1.8
163.11163	1.5
165.12711	1.3
171.10187	23.9
172.10561	1.1
183.13814	2.0
187.14787	1.3
193.12238	0.7
203.14363	0.8
205.15952	4.1
209.11784	13.0
211.13335	14.4
215.14397	2.2
219.10254	0.9
221.15401	2.6
227.12813	2.1
231.13866	2.4
233.15434	18.9
234.15651	1.3
239.16431	0.8
249.14931	11.4
250.15274	1.3
251.16563	0.9
253.09261	5.5
257.17456	1.4
283.19064	0.8
313.25217	0.9
323.23819	0.8
331.26431	2.5
339.23694	0.8
341.24933	2.8
359.25693	2.1
367.22653	1.6
375.25363	1.7
377.26987	1.9
385.23795	6.5
386.24274	0.7
393.26611	1.2
403.24939	20.3
404.25351	2.2
421.25949	26.3
422.26355	2.8
581.86334	0.7
629.35052	0.8
639.33801	12.1
640.34100	2.0
657.34912	100.0
658.35278	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	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56060	1.7
55.12444	1.2
57.03333	1.5
59.01252	15.9
61.98717	1.8
67.79854	1.3
69.03312	1.6
71.01248	9.3
83.04902	6.5
85.02822	2.6
85.06462	3.5
86.15041	1.3
87.00769	1.3
89.02299	6.3
96.00777	3.9
96.95881	2.5
97.06461	2.3
101.02313	7.6
111.08012	2.6
113.02332	3.1
122.05973	2.3
125.09576	7.8
134.05992	1.4
161.04510	1.9
163.11229	2.0
171.10181	20.1
172.10565	2.0
183.13834	7.1
185.11673	2.0
205.15912	2.6
209.09918	1.9
209.11800	21.4
210.12125	2.2
211.13368	32.0
212.13782	2.4
215.14427	2.1
221.15443	2.1
227.12918	8.0
229.25856	1.7
233.15453	33.0
234.15814	2.1
249.14883	12.1
251.16357	2.7
253.09303	6.0
311.59830	1.5
341.24799	5.0
359.26434	1.9
367.23141	2.9
375.25500	1.8
385.23666	11.1
386.24152	1.5
403.24860	22.0
404.24985	3.8
421.25955	19.0
422.26324	2.1
476.82651	1.6
581.23889	4.6
613.33289	4.5
639.33905	37.1
640.33838	7.7
657.26068	4.7
657.34906	100.0
658.35168	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41759	0.4
55.01755	0.6
59.01258	5.6
71.01257	4.3
74.74792	0.4
85.02821	1.3
87.00790	0.5
89.02327	2.6
90.44208	0.5
99.00784	0.5
101.02331	3.7
103.22309	0.5
105.74852	0.5
111.08017	0.8
113.02319	1.6
119.03400	0.9
121.78314	0.4
137.09627	0.5
142.47021	0.4
145.04971	0.6
161.04489	1.3
165.12779	7.5
171.10172	0.5
183.13835	100.0
184.14182	5.0
193.12273	1.5
209.11768	3.0
211.13348	52.7
211.90981	0.5
212.13661	2.9
227.12843	6.6
229.37178	0.6
235.08157	3.4
253.09247	5.4
254.09619	0.4
301.47690	0.4
419.22635	1.1
445.20728	2.7
447.22595	0.9
458.54144	0.5
463.21875	5.7
533.47839	0.5
569.90161	0.5
657.34906	53.8
658.35138	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	655.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01254	12.5
71.01265	5.6
71.04912	0.8
73.02822	1.4
85.02820	1.8
89.02338	2.0
93.70316	0.7
95.04922	2.5
101.02356	3.2
113.02361	2.6
121.02895	1.6
121.06544	1.0
123.04465	2.4
125.09658	0.9
126.41759	0.7
127.11213	2.7
131.03392	0.7
134.05998	0.7
135.08090	1.5
136.05237	2.1
139.57985	0.6
149.06024	2.6
150.06783	26.3
150.07991	1.5
151.07462	1.5
153.09102	0.7
159.13905	0.8
161.04468	1.0
162.06831	1.4
163.07567	15.4
164.08330	6.9
165.08914	0.7
171.10187	32.6
171.11624	1.7
172.10580	1.8
177.09161	0.8
178.09894	1.5
179.10695	16.3
181.16191	0.8
183.13893	1.3
185.11847	0.9
201.11311	1.5
203.14439	1.6
207.10265	2.4
209.11745	6.3
209.15410	0.8
211.13329	5.6
225.11336	3.3
229.12430	1.0
235.08308	1.8
235.13368	1.0
237.14919	3.8
247.13370	10.7
253.09390	2.7
253.21628	1.4
254.33455	0.7
265.14465	4.1
295.22995	1.1
311.26050	2.1
313.23843	15.3
313.27249	1.0
313.52902	0.9
314.24179	1.1
383.22537	2.5
401.23557	2.4
419.24451	2.5
433.33444	1.9
437.25565	1.1
448.35834	1.0
451.34494	1.0
475.34323	4.1
478.33539	1.0
492.34558	27.6
493.35281	30.1
494.35608	3.8
501.23267	1.2
595.38593	3.8
605.52222	0.9
611.31073	1.0
613.39813	3.9
619.31689	1.2
637.32806	3.3
652.85938	1.1
655.41174	100.0
656.33691	1.6
656.41602	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	655.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56614	1.6
57.03330	1.9
59.01254	14.0
59.31927	2.0
69.86426	4.2
69.86835	7.5
71.01270	9.9
73.02824	4.6
85.02832	2.9
87.00733	3.2
89.02328	5.5
92.62663	2.1
95.04900	1.7
97.02829	7.7
101.02329	9.8
109.06490	13.4
113.02329	8.0
125.09612	3.0
135.08008	2.4
149.05864	2.0
161.04472	2.9
163.11206	9.2
165.12738	2.7
171.10138	5.5
183.13840	40.5
184.14162	3.5
185.11700	4.3
187.38606	1.9
193.12193	2.6
207.10210	43.9
208.10341	3.5
209.11780	75.0
210.12117	3.8
211.13339	100.0
212.13692	5.8
221.15425	2.1
225.11259	22.2
227.12807	4.3
235.08160	7.6
247.13162	2.5
253.09247	7.9
318.80267	2.5
339.23196	2.4
342.46402	1.9
373.23886	6.2
383.22083	8.8
391.24783	4.9
401.23325	19.3
402.23682	2.2
419.24612	8.6
447.22449	2.5
450.50449	2.3
461.20285	7.7
609.32520	3.7
637.32275	34.6
638.32648	4.4
655.33398	63.1
656.33264	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	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68223	1.4
56.02163	1.2
57.03322	4.3
58.00497	1.6
59.01251	26.2
69.03320	5.1
70.12122	7.2
71.01257	18.5
73.02826	4.3
81.03352	2.8
83.01266	4.6
83.04868	6.8
85.02837	5.3
87.00755	4.4
89.02327	8.5
93.03329	1.5
95.04908	11.7
97.02835	3.2
97.06495	2.8
98.20478	2.0
99.00761	1.9
101.02332	13.0
106.04121	2.0
107.04956	1.7
109.06495	7.9
111.04392	1.8
113.02316	7.7
119.03384	2.5
121.02831	2.7
121.06466	5.2
121.20144	1.3
123.04433	1.4
123.08085	1.9
125.05864	1.8
125.09607	4.4
127.11204	2.1
127.31479	1.4
128.65335	1.4
133.05005	2.0
133.06483	1.8
135.08049	3.1
136.05220	10.5
137.09616	1.9
143.03404	3.2
145.05003	2.5
149.09598	7.2
150.06834	3.0
151.07562	35.4
153.09120	1.9
161.04440	4.1
163.11226	4.8
171.10188	100.0
172.10535	4.3
177.12823	2.0
179.05444	1.8
179.10712	2.3
181.12210	1.7
183.10187	7.5
183.13800	1.6
185.11775	3.0
189.09099	2.9
194.95926	1.3
203.14392	8.6
207.10233	12.8
207.13789	2.2
209.11768	19.5
209.15344	2.3
211.11450	2.2
211.13300	15.7
219.13861	4.9
223.13301	2.2
225.11296	11.1
227.12567	1.4
229.12347	3.7
229.14406	7.1
235.08220	8.3
235.13422	3.9
237.14908	15.2
247.10828	2.4
247.13377	43.4
248.13734	2.1
249.15036	1.7
251.16339	1.8
253.09332	12.0
253.14481	4.8
257.17572	3.6
261.15036	1.6
265.14429	19.9
266.14816	1.9
329.24872	2.3
334.64255	1.5
339.23343	2.4
357.24188	3.8
365.21185	1.5
373.23770	3.3
383.22440	9.8
391.24838	14.1
392.25244	1.7
401.23282	13.3
409.26117	10.6
419.24384	13.2
437.25372	5.2
493.35229	2.1
501.23309	4.8
595.38721	4.1
613.39502	3.5
619.31427	9.7
620.31824	1.9
627.33716	12.2
628.33734	1.9
628.81970	1.8
637.32312	17.0
655.31909	35.5
655.41504	13.2
656.33759	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	653.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94465	1.6
59.01260	11.5
64.78870	1.5
66.75572	1.6
71.01260	6.5
73.65079	1.5
89.02325	4.8
96.94711	1.6
101.02352	2.7
113.02317	2.2
117.59503	1.7
119.03438	1.6
125.02362	2.1
197.02164	9.0
253.21690	7.7
254.22058	6.2
255.22372	3.3
397.13647	4.1
398.13837	4.4
399.14197	4.7
455.35339	100.0
456.35550	14.1
653.27844	3.4
653.38171	17.7
654.38617	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03095	1.5
59.01252	100.0
61.98717	2.3
71.01260	5.0
74.23888	1.7
79.65333	2.2
87.00757	1.7
89.02314	3.5
97.02824	3.2
101.02325	3.3
113.02324	2.0
141.01607	57.8
207.10213	3.9
211.13356	4.5
229.48112	2.3
253.09258	2.0
255.23335	3.9
256.23660	5.2
275.06284	9.7
277.21729	4.0
305.57919	1.8
343.72147	2.3
391.19885	4.5
397.13205	2.3
535.27686	7.1
536.27081	1.8
595.29840	2.0
655.33630	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	655.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	3.3
55.98027	2.7
59.01254	100.0
69.03329	3.9
71.01254	8.2
71.06670	8.3
73.11663	2.9
97.02827	7.0
101.00829	3.8
125.14194	3.1
141.01610	69.7
142.05112	4.2
142.10951	2.9
163.79561	3.0
175.27048	2.9
201.02434	4.5
211.13356	7.3
239.03331	3.1
275.06146	17.4
277.21689	4.8
317.07202	3.6
391.19598	6.7
427.00589	3.0
535.27612	20.3
595.29498	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25937	0.2
55.01756	1.3
57.03323	1.3
58.00466	2.1
59.01252	38.0
60.01587	0.5
67.01759	0.3
68.99688	0.5
69.03323	2.3
71.01254	37.2
72.01596	0.6
72.99185	2.8
73.02816	5.7
75.00736	0.9
81.03329	1.4
83.01257	4.3
83.04882	0.3
85.02824	8.2
85.99997	0.4
87.00754	9.3
87.04350	0.2
89.02318	31.5
90.02658	0.6
91.03898	0.5
93.03329	0.4
95.01266	2.7
95.04909	0.3
97.02824	6.6
98.19809	0.7
99.00763	2.3
99.04411	0.4
101.02322	31.1
102.02682	0.5
103.00261	0.3
103.03865	0.5
109.02838	0.6
111.00770	0.5
111.04399	1.1
112.01565	0.2
113.02330	14.5
114.02672	0.3
114.95024	0.2
115.03883	0.9
119.03394	9.6
121.02820	0.6
123.00751	0.3
123.04402	0.3
124.01556	0.4
125.02341	12.9
126.02675	0.2
127.03896	0.5
131.03395	1.5
133.04955	1.1
137.02368	0.4
139.00266	0.2
139.03915	1.4
141.01842	0.9
143.03392	6.0
145.04823	0.2
149.02441	0.2
149.04480	1.4
152.99542	0.2
157.04895	0.3
159.02798	0.2
161.04468	7.6
167.03403	0.6
169.04971	0.3
171.02902	0.3
178.12056	0.2
179.05534	6.8
185.04475	0.7
199.06099	0.7
203.05446	0.4
217.07205	0.9
219.05232	0.2
221.06630	2.6
235.08195	13.9
236.08577	0.7
245.06674	0.8
253.09277	3.5
254.09854	0.2
255.23265	100.0
256.23608	8.0
263.07767	1.6
269.24771	0.9
277.09323	0.8
281.84015	0.2
287.07733	3.1
305.08795	3.2
306.09109	0.2
323.09784	1.6
361.11411	0.8
379.12424	1.0
397.13483	72.2
398.13837	5.4
415.14554	28.6
416.14871	1.9
562.32837	0.2
571.28540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
56.15472	0.3
57.03313	1.3
58.00463	1.9
59.01252	45.2
67.01773	0.4
68.99689	0.4
69.03320	2.1
69.06573	0.3
70.38016	0.8
70.65305	0.3
71.01254	37.0
72.01591	0.5
72.99183	3.0
73.02822	6.2
75.00746	1.0
81.03335	1.9
82.12372	0.3
83.00790	0.5
83.01257	4.5
83.04887	0.4
84.02041	0.3
85.02829	7.2
86.03174	0.4
86.36360	0.3
87.00748	9.0
87.01270	0.5
89.02319	32.8
90.02679	0.3
91.03876	0.6
93.03345	0.5
95.01263	2.8
97.02836	7.1
98.03162	0.3
99.00752	1.8
99.04436	0.3
101.02323	30.3
102.02689	0.5
103.03910	0.5
109.02849	0.6
111.00780	0.7
111.04396	0.6
113.02332	16.4
114.02685	0.3
115.03912	0.9
119.03387	10.5
121.02831	0.6
122.59101	0.3
124.01566	0.5
125.02339	13.7
126.02671	0.4
127.03937	0.7
131.03377	1.8
133.05000	1.5
137.02327	0.4
139.03902	0.9
141.01837	0.6
143.03392	6.2
149.02356	0.4
149.04446	1.0
157.04956	0.3
161.04463	7.3
167.03450	0.8
169.05009	0.4
171.02896	0.5
179.03313	0.4
179.05545	6.4
179.07138	0.4
185.04512	1.0
199.06020	0.7
203.05560	0.5
217.07156	1.5
219.04942	0.3
221.06644	2.9
235.08197	15.5
236.08528	0.6
237.22092	0.4
245.06659	0.8
253.09268	3.3
255.23267	100.0
256.23624	8.0
263.07690	1.4
269.24823	0.9
277.09311	0.9
287.07703	3.5
305.08835	3.6
323.09940	1.5
361.11429	0.7
379.12396	0.9
397.13492	71.4
398.13821	5.4
415.14560	29.2
416.14914	2.9
538.47900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30748	1.3
57.03312	2.7
59.00953	2.0
59.01255	39.4
61.98706	6.3
69.03332	2.2
71.01259	21.1
71.57909	2.5
72.99210	2.9
73.02823	8.8
75.00752	5.3
83.01263	3.8
83.04916	1.9
85.02834	8.8
87.00743	6.8
88.98691	3.1
89.02296	6.6
95.01234	1.4
96.95911	4.4
97.02846	2.4
99.00793	4.5
99.07986	1.5
101.02349	9.7
102.94737	1.2
105.01041	1.3
105.06888	1.3
113.02349	8.2
117.01851	1.4
125.02357	4.1
131.21519	1.2
134.03624	1.3
135.02890	2.8
141.12738	1.8
143.03415	1.9
161.04538	1.5
167.21718	1.3
175.02446	1.3
191.03487	1.3
209.11827	1.5
213.40540	1.5
241.21695	1.4
269.21317	3.5
275.09500	1.5
279.00623	1.4
285.07773	1.9
287.22281	31.4
288.22433	3.1
315.05084	1.8
431.26382	13.7
432.27029	1.6
449.27551	43.3
450.27805	4.2
450.74890	1.5
491.28656	100.0
492.28912	13.2
510.64395	1.7
535.26001	1.3
609.31287	28.7
610.31641	4.3
651.64868	1.7
653.32172	5.3
654.32544	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	653.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.5
58.00446	1.9
59.00988	1.8
59.01250	21.5
65.10380	1.5
65.81143	1.8
69.03318	2.9
71.01254	24.3
71.58414	2.5
71.58770	2.4
72.99191	9.3
73.02808	3.4
75.00748	19.2
77.31207	2.1
83.01257	3.1
85.02827	18.3
87.00758	9.8
89.02307	5.8
89.98149	1.7
92.68716	1.6
93.03288	2.6
95.01231	5.7
99.00768	14.0
101.02283	4.5
101.84071	1.8
103.00199	1.8
111.00735	2.9
113.02341	25.1
113.69143	1.6
121.02806	2.4
125.02324	3.2
133.02806	3.9
134.02676	2.7
134.03644	49.2
134.84239	2.2
137.02319	4.7
149.05991	16.7
151.00143	1.9
160.01643	9.5
161.02260	3.4
175.02472	2.8
175.03862	11.0
178.01366	2.0
178.02657	20.2
179.03290	3.4
193.03371	3.5
193.04991	57.6
203.03391	2.3
230.02017	7.4
231.02884	2.7
243.02931	4.7
249.06128	33.6
258.01566	7.0
259.02322	5.0
267.06805	4.0
267.09039	2.6
270.01636	2.4
271.02408	9.2
285.03778	2.2
286.01218	19.3
287.01999	15.9
301.03516	14.9
302.04031	2.0
314.00415	3.5
314.98135	2.8
315.01489	41.2
316.01495	2.1
328.99313	3.1
329.03043	60.0
330.03754	78.4
331.04071	7.9
336.07474	2.0
341.89108	1.9
344.05270	3.5
345.06134	72.1
346.06317	5.7
381.11664	8.0
399.12857	2.3
408.69150	2.0
425.10815	5.7
439.12128	7.1
443.11566	5.3
457.13480	12.2
552.94867	2.2
635.92804	2.0
653.18494	100.0
654.18762	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	653.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88799	2.5
53.52113	2.5
57.65187	3.2
59.01249	19.8
71.01270	20.8
71.57262	3.2
71.57957	2.8
72.99179	6.2
73.02823	6.3
74.16429	2.9
75.00744	7.9
85.02843	15.7
87.00741	6.7
88.23502	2.6
89.02322	8.2
92.82088	2.6
99.00747	9.2
100.84281	2.7
101.02335	3.8
104.41389	2.9
107.01276	5.2
109.02859	3.4
113.02321	18.4
122.06004	6.4
129.01837	3.7
132.04420	4.0
133.38222	2.9
135.04408	15.5
148.03915	3.1
149.02429	3.4
150.03111	3.4
150.05539	4.7
151.00284	17.6
160.03986	4.3
165.01807	4.6
172.07480	3.3
175.02589	5.5
180.04189	4.4
184.07593	4.5
193.01395	3.5
195.06528	4.0
212.05676	3.2
213.06589	3.5
215.08224	3.1
215.11691	3.8
217.09734	3.1
223.06082	8.5
225.07411	4.0
227.08163	12.4
229.09787	7.9
239.08195	8.7
239.11925	6.6
240.05205	3.6
241.09756	16.1
243.07648	4.9
249.06276	3.0
252.05339	4.0
253.06145	5.1
253.09708	10.0
254.03255	7.9
255.03087	3.2
255.07703	16.6
255.11441	7.2
257.12863	3.9
263.07898	4.3
265.09839	4.6
266.06876	6.3
267.07495	27.8
268.08499	5.8
269.09155	5.1
271.02634	5.0
271.07126	19.5
273.08826	7.7
279.07611	3.3
281.09219	20.5
282.06561	3.7
282.09750	3.2
283.07724	5.1
283.10867	54.2
284.11182	5.4
287.05704	13.3
293.05603	4.3
297.08765	4.1
299.06570	7.6
300.02643	4.2
301.03137	6.2
302.03372	4.3
307.07114	4.6
309.08786	37.3
310.08884	4.2
311.06775	15.1
327.09744	15.9
329.13211	2.9
331.09329	3.8
335.06775	10.8
340.12659	5.2
341.12585	3.2
343.09280	4.3
353.07660	5.4
385.10416	9.4
403.11365	12.4
491.12155	10.1
533.17377	11.4
534.17993	4.2
559.15704	4.5
577.16699	43.4
578.17310	4.0
603.14679	12.8
604.15424	3.1
609.18994	8.1
621.15771	100.0
622.15900	18.9
635.17407	6.8
653.18225	95.1
654.18494	15.9
668.37524	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	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03319	1.2
58.00464	1.8
59.01253	39.6
68.99687	0.7
69.03336	2.0
69.86516	2.7
70.54305	0.5
71.01254	34.3
71.88156	0.5
72.99186	3.0
73.02821	4.4
75.00763	0.9
81.03334	1.0
83.01274	2.9
85.02826	8.4
87.00743	6.1
89.02320	32.3
90.02602	0.6
91.03865	0.7
93.03333	0.8
95.01269	1.6
97.02818	4.7
98.20452	0.9
99.00764	1.8
101.02319	31.4
107.61637	0.5
111.04405	1.0
113.02325	11.4
113.03071	0.9
119.03390	11.4
121.02850	0.5
125.02325	9.0
131.03383	2.0
133.04988	0.6
137.02377	0.8
139.03941	0.7
143.03377	4.7
149.04454	1.3
150.23900	0.5
161.04475	5.2
179.05527	9.6
185.04430	0.6
209.11760	1.8
221.06633	2.5
223.13359	1.7
235.08206	9.2
253.09244	2.9
253.21722	31.1
254.22073	2.3
262.00027	0.5
263.07629	1.9
287.07718	1.4
305.08746	2.3
323.10022	0.8
397.13480	35.5
398.13763	2.5
415.14563	100.0
416.15045	6.7
421.10284	0.5
591.22620	0.8
651.24377	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	651.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70848	0.7
58.00471	0.8
59.01254	25.9
71.01263	5.6
71.58021	0.8
71.58430	1.1
72.99165	0.9
73.02819	1.1
75.00747	8.7
78.87864	0.7
80.11045	0.6
80.16328	0.8
82.95261	0.7
83.01260	1.3
83.04899	0.8
83.63670	0.7
85.02833	3.3
87.00755	1.7
87.16081	0.7
89.02319	1.7
93.03339	1.1
94.87876	0.7
96.95896	1.6
99.00747	1.4
101.02309	1.8
109.02866	1.0
111.52486	0.9
113.02336	3.2
117.03329	0.9
121.02853	4.5
123.00760	1.3
123.04402	0.8
129.01830	1.8
133.02782	1.3
134.03629	1.6
135.04398	1.2
136.01573	15.3
137.02319	2.4
139.03972	0.9
145.02849	1.7
147.02834	1.0
148.66588	0.7
149.02339	1.1
151.00285	6.6
151.03920	24.7
160.01567	2.3
163.03958	1.7
165.03960	17.7
166.02650	17.9
167.03323	0.9
173.05939	0.9
175.03934	2.3
181.05016	21.2
182.05295	0.8
188.04645	1.1
189.05374	0.9
192.51752	0.8
193.05026	2.3
195.65010	0.8
205.04961	0.8
249.06117	1.0
255.02986	2.1
267.07025	1.9
281.08234	1.0
282.05267	1.5
283.02588	1.4
284.03152	2.2
285.03754	1.6
296.06903	1.0
296.10309	1.1
297.07611	2.1
311.09320	3.6
312.10028	2.1
326.11597	3.8
327.12219	4.4
329.10553	1.0
337.09271	1.1
357.09793	10.1
357.13574	4.6
358.10004	1.8
372.12195	9.1
373.12341	1.0
387.14511	100.0
388.14822	8.7
651.30823	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	651.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47120	2.2
57.03323	4.5
59.01250	33.7
61.51721	1.8
68.99685	3.2
71.01255	32.8
71.58930	4.2
72.99180	8.3
73.02831	3.0
74.16608	1.9
75.00751	19.7
81.03372	2.0
83.01244	2.4
85.02818	32.6
87.00751	14.3
89.02327	7.9
89.03796	2.3
95.01252	7.8
96.95898	6.8
99.00776	14.7
101.02331	5.4
113.02330	35.4
113.03121	2.7
113.03491	4.2
114.01833	2.9
117.01846	3.4
117.03357	6.4
119.04891	3.2
123.00750	4.1
124.01549	6.3
129.01859	3.6
131.04518	5.8
132.02072	2.5
134.03636	82.5
135.03883	3.5
139.03922	6.4
142.51048	1.8
143.04744	2.0
147.04408	3.3
148.70169	1.9
149.06001	6.8
160.01570	5.8
161.02382	2.5
173.02330	3.4
174.03175	7.7
175.02548	3.0
175.03879	13.6
178.02681	3.7
191.03374	3.1
193.04994	100.0
193.06770	5.0
194.05362	4.4
211.16071	1.7
215.03320	2.1
223.07675	2.5
229.71902	1.9
235.05910	2.7
238.05957	2.2
249.06140	31.3
250.06505	3.1
251.07202	2.4
255.03052	3.4
261.08624	2.0
264.03949	2.0
265.04959	3.3
267.07193	76.0
268.07498	3.9
279.06650	6.7
282.05298	5.7
284.03247	4.7
297.07706	6.4
299.02066	2.2
309.07629	4.4
310.08264	2.4
312.09851	3.5
322.04755	2.8
323.05621	2.9
324.06509	4.6
337.06985	5.1
338.07877	4.8
339.08694	5.2
341.06934	2.9
352.09402	2.6
353.06616	5.8
353.10330	14.2
356.08966	2.4
368.08972	4.4
371.11334	5.6
383.11322	32.3
384.11652	4.4
401.12433	4.8
457.14343	2.6
475.15097	2.3
485.12982	6.9
601.16107	4.4
615.16412	2.8
621.18304	24.9
622.18719	6.2
633.18231	44.3
634.18781	6.7
651.19336	36.7
652.19507	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	649.3957
Annotation	soyasapogenol A monoglucuronide
Peak:m/z	Relative Intensity
57.03323	3.0
58.63128	1.1
59.01251	6.7
71.01244	5.2
72.99194	1.8
73.27816	1.1
75.00745	19.0
78.95766	2.4
83.01318	1.7
85.02830	16.8
95.01279	2.4
96.95882	1.4
99.00813	1.8
113.02332	9.1
181.57083	1.1
193.03535	1.1
206.74191	1.3
473.36456	4.4
527.37360	1.7
573.38007	3.5
622.06219	1.3
649.39563	100.0
650.39874	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	649.3961
Annotation	soyasapogenol A monoglucuronide
Peak:m/z	Relative Intensity
55.01750	1.3
57.03090	0.3
57.03329	4.8
59.01265	2.2
61.62493	0.3
66.95003	0.3
67.01756	0.3
68.99322	0.4
68.99687	1.0
69.03329	0.5
71.01257	4.3
71.34930	0.5
71.42244	0.3
72.99191	1.8
73.02806	0.5
75.00748	21.9
83.01250	1.2
84.02071	0.4
85.02825	22.1
86.03146	0.4
87.00758	1.9
95.01268	2.9
97.02830	0.5
99.00761	1.8
112.01550	1.7
113.02335	11.0
114.02687	0.4
115.00261	0.6
116.01081	0.6
116.92717	0.7
117.01833	0.6
125.09615	0.9
129.01802	1.1
130.60292	0.3
135.33633	0.3
136.28342	0.3
140.52203	0.3
157.01305	1.4
175.02390	1.1
184.60356	0.3
211.13263	0.6
307.62695	0.3
471.34586	0.9
473.36328	5.8
474.36890	1.2
527.37329	1.3
545.38721	0.4
567.62885	0.4
573.37976	3.1
574.38562	0.7
617.31604	0.5
631.38824	0.6
636.92432	0.4
641.43872	0.5
649.39569	100.0
650.39929	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	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.2
57.03312	3.5
59.01249	22.5
68.99667	1.3
69.03332	2.0
70.98263	2.5
70.98608	1.9
71.00900	1.7
71.01259	24.6
72.99184	8.0
73.02824	2.8
75.00748	16.9
83.01260	1.6
85.02825	28.5
87.00757	10.7
89.02321	7.0
93.03339	1.4
95.01258	5.1
96.95905	2.9
99.00755	14.6
101.02333	3.2
103.00231	2.9
111.00761	1.8
113.02332	38.6
115.00259	2.6
117.01839	3.8
117.03347	3.3
119.04873	1.3
121.02826	6.0
125.02328	1.3
126.90369	5.2
129.01775	1.8
131.03394	1.5
132.02042	5.1
133.02835	5.4
133.06348	1.2
134.03641	42.3
135.03996	1.1
141.72664	1.1
147.04436	3.0
149.02347	38.9
149.05928	2.7
150.03052	4.4
160.01599	15.6
161.02275	3.4
161.04472	1.5
163.03926	1.7
164.04700	32.9
165.01863	1.2
165.05399	2.1
175.00278	3.3
175.02420	3.6
175.03880	19.0
176.00993	1.4
176.04419	1.3
177.01895	1.4
178.02631	1.3
179.03355	1.5
179.07079	3.2
180.06541	1.6
190.02576	6.0
191.03477	2.9
193.03362	2.9
193.05002	27.0
205.04985	6.8
207.04958	1.7
208.03670	1.4
209.04483	4.1
223.06071	27.9
223.08112	2.5
224.06476	2.2
249.06096	18.7
267.07193	61.8
268.07547	2.0
284.03226	1.7
297.09702	1.8
341.23853	1.4
381.11877	3.4
382.86960	1.3
411.12952	2.9
425.11041	7.4
441.11044	1.2
443.11954	61.1
444.12137	5.2
455.11880	5.3
473.13025	100.0
474.13358	10.9
648.37048	4.6
649.17749	34.8
649.39703	1.9
650.18140	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	649.3961
Annotation	soyasapogenol A monoglucuronide
Peak:m/z	Relative Intensity
55.01760	1.7
57.03328	6.4
59.01255	2.8
59.41505	0.3
59.56823	0.3
67.01749	0.9
68.99678	0.6
69.03349	0.4
71.01262	4.5
71.04891	0.5
71.27834	0.7
71.28181	0.3
72.99187	2.9
73.02816	0.7
75.00751	24.9
77.34577	0.3
78.95738	0.4
83.01270	1.8
84.02012	0.5
85.02826	25.7
86.03156	0.7
86.58345	0.3
87.00756	2.0
89.02345	0.5
91.20389	0.3
95.01263	3.0
97.02805	0.6
99.00769	1.9
101.02319	0.4
111.00700	0.4
112.01565	1.4
113.02334	12.3
114.02649	0.5
115.00249	1.2
116.01045	0.9
117.01794	1.0
129.01781	0.9
137.74980	0.3
157.01366	1.4
167.87314	0.3
175.02440	0.6
408.73361	0.3
411.32269	0.4
413.34323	0.7
447.03165	0.3
455.35037	0.4
471.34988	0.6
473.36301	6.4
474.36816	1.0
513.35779	0.5
523.94305	0.3
527.36963	1.6
529.35913	0.4
573.37897	3.7
574.38928	0.7
631.38666	0.6
649.39575	100.0
650.39935	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3802
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01741	1.1
57.03327	4.5
59.01250	2.2
64.91015	0.4
65.88436	0.4
71.01250	4.4
71.05627	0.5
71.05956	0.8
72.99167	2.2
75.00749	23.5
78.67686	0.4
83.01266	0.6
84.02070	0.6
85.02824	24.2
87.00759	2.9
90.56167	0.4
95.01261	1.8
99.00765	2.3
102.58173	0.5
112.01521	1.0
113.02333	16.3
115.00240	0.9
116.01049	1.7
117.01808	0.8
123.51656	0.4
127.40125	0.5
129.01840	0.8
134.31215	0.4
142.73930	0.5
157.01341	2.2
175.02373	1.3
423.32596	2.9
469.33167	0.7
471.34790	9.0
472.35052	2.1
571.36774	2.0
647.37988	100.0
648.38336	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	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.9
57.03326	4.2
59.01235	3.4
71.01245	8.6
71.57275	0.6
71.57695	0.8
71.76092	0.7
72.99168	2.5
73.02791	1.0
75.00747	21.5
83.01236	0.8
85.02823	21.8
87.00738	3.2
95.01254	1.6
99.00742	2.5
106.92426	0.8
112.01517	1.4
113.02339	14.2
122.00554	0.9
129.01845	1.1
157.01318	1.5
166.77112	0.8
194.60179	0.8
196.47133	0.8
239.63356	0.8
347.29037	0.8
410.18903	1.0
422.54977	0.7
423.32538	1.2
439.32013	1.4
471.34943	8.1
472.35199	1.8
528.01660	0.9
571.36066	1.6
647.38031	100.0
648.38287	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	647.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
57.01446	0.3
57.03326	5.4
59.01251	3.6
60.12265	0.5
60.99191	0.4
67.01816	0.4
68.99692	0.5
69.03321	0.6
69.57930	3.0
71.01254	6.0
72.99181	2.1
73.02825	0.4
75.00748	27.1
83.01255	1.1
85.02826	21.8
86.03140	0.4
87.00742	1.8
95.01270	2.7
96.95898	2.1
99.00780	2.3
112.01601	0.6
113.02338	11.8
114.02679	0.4
115.00261	0.8
116.01018	0.6
117.01790	0.9
129.01836	1.1
133.11533	0.4
157.01332	1.1
175.02440	0.6
201.11148	0.5
223.09508	0.6
313.23804	0.8
335.22101	0.8
407.33194	0.5
471.34656	2.3
489.66434	0.4
537.15637	0.4
571.36487	0.5
647.37976	100.0
648.38361	20.8
648.46857	0.3
669.88867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58041	0.5
55.01751	1.3
57.03324	4.2
59.01243	3.7
71.01257	7.5
72.99192	3.1
73.02821	0.6
75.00750	21.3
83.01286	0.6
85.02827	21.9
87.00764	2.7
87.09067	0.5
89.02314	1.0
95.01257	1.6
95.48316	0.6
99.00776	3.9
113.02332	14.6
115.00243	1.5
116.01034	0.8
117.01810	1.1
129.01900	0.9
157.01285	1.0
175.02408	0.9
189.63699	0.5
364.60135	0.7
384.53296	0.7
423.32770	2.0
429.10620	0.6
439.32306	2.3
471.35150	6.7
472.35446	1.4
485.32745	3.2
496.99918	0.9
520.00085	0.6
527.33478	0.9
571.36487	2.5
647.38000	100.0
648.38354	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	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.5
57.03322	2.8
59.01255	3.0
67.01720	0.6
71.01256	6.5
72.99171	1.9
73.02805	0.8
75.00750	21.4
83.01234	0.7
85.02826	19.5
87.00745	2.9
89.02294	0.8
93.22446	0.5
95.01261	1.7
98.20541	1.5
99.00767	3.2
113.02332	15.5
115.00221	1.1
117.01833	1.0
129.01892	0.5
157.01320	1.0
175.02412	0.9
211.45815	0.5
347.35303	0.5
439.32129	0.8
603.39063	4.4
604.39490	1.4
647.37982	100.0
648.38361	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	647.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.0
58.35133	0.5
59.01234	1.7
66.05202	0.5
71.01250	4.6
72.99163	1.1
75.00745	10.6
81.70468	0.5
82.88126	0.5
83.01223	0.5
85.02824	11.3
87.00751	0.9
87.13927	0.5
95.01245	0.9
99.00757	1.4
113.02328	8.4
115.00230	0.7
122.10863	0.5
122.55647	0.5
122.85506	0.5
126.41369	0.5
129.01830	0.6
175.02403	0.9
208.87753	0.6
301.44049	0.6
423.32700	0.7
439.31708	0.6
468.46112	0.5
469.32544	0.6
471.34961	4.5
571.36572	1.2
587.56421	0.7
605.07062	0.6
647.37976	100.0
648.38409	19.3
670.46936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85109	0.4
55.01746	1.5
55.54489	0.5
57.03326	4.4
58.91809	0.5
59.01257	8.1
60.20507	0.5
61.98693	0.4
63.95694	0.4
69.03357	0.5
71.01262	9.0
71.58620	0.8
72.99180	2.2
73.02838	1.2
75.00752	20.1
83.01256	1.3
85.02829	22.2
86.07269	0.6
87.00754	2.6
89.02341	1.1
95.01280	2.5
99.00781	3.2
101.02336	1.9
112.01569	0.9
113.02341	14.4
115.00285	0.9
116.01081	0.6
117.01833	0.5
129.01825	1.0
157.01295	0.6
161.04388	0.5
174.53174	0.4
175.02379	1.0
209.11826	0.8
214.96193	0.5
423.32831	1.1
439.32153	1.2
453.33673	0.8
471.35037	7.7
472.35117	0.9
525.35706	0.9
571.36517	2.1
647.38049	100.0
648.27887	0.9
648.38446	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	647.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
59.01252	62.8
61.98679	1.6
70.81089	2.4
70.81432	1.5
71.01256	10.4
72.99158	1.3
73.02798	2.0
75.00768	4.9
77.72935	0.9
84.34707	0.9
85.02826	5.3
87.00729	2.7
89.02313	3.3
101.02291	3.5
113.02328	5.6
115.67435	1.0
117.48165	0.9
163.11133	5.5
196.34077	1.0
207.10191	17.2
211.98680	0.9
255.23331	3.2
277.21741	26.7
278.22015	3.5
291.23340	5.3
335.47849	1.1
349.27637	1.0
369.15475	5.0
387.16534	13.3
388.16830	2.4
471.34741	2.2
483.27524	1.6
557.34180	1.0
647.37970	100.0
648.38239	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	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21295	4.3
57.03327	5.0
59.01252	100.0
71.01257	75.5
71.37779	6.2
72.99176	9.9
73.02818	13.8
75.00735	38.1
83.01271	7.8
85.02822	31.3
87.00757	8.2
89.02305	34.8
95.01279	5.7
96.95898	32.8
98.95464	7.9
99.00740	12.3
101.02325	34.2
113.02344	41.7
119.03400	13.5
125.02362	5.2
134.03633	4.3
145.02924	4.2
161.04486	11.3
179.05585	8.8
201.11238	16.8
207.41371	3.7
209.11781	14.5
211.13509	3.9
213.14841	4.7
249.06084	8.7
255.03088	5.1
267.07239	27.1
380.16016	4.5
443.11844	5.9
543.28119	18.6
544.27954	5.3
561.29144	14.3
647.34119	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	647.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03326	4.5
59.01254	2.5
67.01731	0.4
68.99684	0.9
70.58550	0.7
70.58926	0.7
71.01260	4.6
72.99184	2.9
73.02828	0.6
75.00748	26.6
77.54636	0.3
80.41099	0.3
83.01266	1.5
84.02047	0.3
85.02827	21.7
86.03168	0.5
87.00762	1.7
89.02338	0.3
90.87608	0.3
95.01269	2.4
99.00780	2.1
111.00791	0.3
112.01553	1.2
113.02335	12.7
115.00253	0.9
116.01058	2.1
117.01815	0.7
129.01826	1.1
157.01321	1.3
175.02435	1.0
461.04904	0.3
469.33151	1.5
471.28241	0.4
471.34799	6.9
472.35101	0.8
525.35522	1.3
527.33282	0.4
585.38031	1.2
647.37994	100.0
648.38385	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	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03329	4.4
59.01251	3.9
68.99693	0.5
71.01259	7.4
71.49765	0.6
72.99176	2.6
73.02822	0.8
75.00749	20.2
83.01270	0.7
85.02828	18.8
87.00749	2.7
95.01249	1.7
97.02852	0.4
99.00771	3.0
112.01540	1.2
113.02332	12.5
115.00216	0.8
116.01013	0.7
117.01847	1.0
129.01779	0.8
157.01355	1.4
175.02324	0.5
374.59552	0.6
423.32663	0.9
439.32162	1.7
451.32019	0.7
453.33365	1.0
469.32840	0.5
471.34772	6.8
472.34689	1.1
545.10883	0.5
571.36176	1.1
645.67896	0.5
647.37982	100.0
648.38336	21.3
650.79712	0.5
671.66541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.38
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01747	0.7
57.03312	1.9
57.32796	0.4
59.01258	2.4
63.76474	0.5
71.01260	4.5
71.07072	1.1
72.99176	1.6
75.00751	12.7
85.02827	12.8
85.98750	0.4
87.00746	1.9
89.02324	0.5
95.01274	0.7
99.00715	1.3
113.02335	9.3
115.00225	0.5
117.01821	0.5
125.94550	0.4
128.21556	0.4
129.01840	0.5
145.47412	0.4
157.01347	1.1
175.02382	0.6
221.24306	0.6
300.71069	0.5
301.74991	0.5
325.49368	0.5
334.01001	0.5
366.04691	0.5
396.94049	0.4
423.32632	0.7
453.33450	0.5
469.33145	0.8
471.35022	6.2
472.35495	0.7
571.36554	0.9
647.38013	100.0
648.38391	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	647.3804
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
57.03313	3.8
59.01244	7.3
68.52318	1.6
70.95515	1.9
71.01257	7.9
71.06493	1.6
72.99203	2.1
75.00748	20.6
75.55824	2.1
78.95776	3.5
85.02835	20.2
86.32066	1.7
87.00768	3.0
96.95902	2.7
99.00740	2.1
113.02334	16.1
117.55452	1.9
147.88519	1.7
151.60776	2.1
191.01932	2.3
230.28214	2.2
311.86539	1.9
430.06213	1.9
471.34848	7.3
472.34766	2.0
647.38000	100.0
648.38153	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	645.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27545	0.6
50.28426	0.7
55.01756	1.4
57.03326	3.5
59.01251	4.8
65.07314	0.8
69.68366	5.6
71.01256	8.6
72.24416	0.7
72.99184	3.0
73.02792	1.3
75.00748	24.1
78.95768	0.9
83.01251	1.3
85.02824	21.5
87.00756	2.5
89.02324	0.8
95.01253	2.5
99.00749	3.7
111.00776	1.7
113.02337	13.1
115.00267	1.7
115.17104	0.7
117.01825	1.5
129.01837	0.8
157.01346	1.4
165.10535	0.7
173.00905	0.8
175.02328	1.6
281.23172	0.7
305.85397	0.7
423.32758	1.1
439.32254	0.8
451.31992	2.3
458.98969	0.7
469.33344	7.0
470.33569	1.2
471.35138	1.0
530.90576	0.8
569.34979	1.4
643.70813	0.8
645.36438	100.0
646.36755	18.2
652.71368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62654	0.4
51.26890	0.4
56.23863	0.4
59.01250	1.3
65.72440	0.4
71.01276	1.0
71.57502	0.7
71.57864	0.5
72.99195	0.5
80.96399	1.3
83.04881	0.8
85.02787	0.7
87.00764	0.6
89.03832	3.4
91.60526	0.4
93.03368	0.8
99.00808	0.5
106.04142	0.8
111.00807	0.4
117.03358	9.1
118.03647	0.6
121.02837	0.5
125.93234	0.4
134.03632	98.9
135.03969	3.4
137.02257	0.6
149.02374	0.7
149.05980	6.5
175.02454	0.5
178.02650	1.8
193.04993	100.0
194.05310	5.6
204.47404	0.5
211.13271	0.5
218.85405	0.5
225.16365	0.4
315.23831	0.6
433.32034	0.7
451.26657	0.8
451.32910	15.1
452.33209	2.5
645.27173	1.8
646.23547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4007
Annotation	Laetiposide D
Peak:m/z	Relative Intensity
59.01243	2.0
68.99684	0.4
70.10573	1.9
71.01242	1.0
75.00751	0.9
85.02802	0.7
86.23291	0.4
101.02285	0.7
108.94008	0.4
110.79032	0.5
113.02292	0.6
129.01880	0.8
178.76895	0.4
273.58719	0.4
561.73358	0.5
645.40070	100.0
646.40387	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	647.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03970	1.8
55.01749	4.1
57.03326	2.4
58.00483	2.9
59.01254	100.0
61.98734	2.2
69.03332	2.5
71.01255	63.5
71.58229	3.5
72.99184	5.6
73.02822	19.4
75.00742	5.4
77.30788	2.0
79.29008	2.0
81.03341	2.2
82.95290	4.5
83.01254	9.4
83.02388	4.8
85.02831	27.2
87.00755	5.7
89.02315	38.1
95.01273	6.8
96.95909	7.5
99.00792	5.8
101.02328	34.3
113.02330	39.5
119.03393	14.5
119.04932	5.7
123.37107	1.9
125.02326	4.3
131.03416	4.1
132.29776	1.9
143.03369	6.6
145.02856	5.0
149.04549	2.4
155.08186	3.8
161.04428	10.4
163.03914	3.8
167.03488	2.0
171.10263	2.3
179.05539	10.6
180.06583	8.0
201.11255	9.6
206.73314	1.8
209.11784	8.3
212.47685	1.9
216.73906	2.2
224.14023	4.8
236.78667	2.1
249.06252	3.5
253.09370	2.2
255.03053	4.1
267.07269	7.8
273.38876	2.1
284.03372	3.7
306.31491	1.8
323.99365	2.6
440.99496	2.0
537.17188	2.7
543.28015	27.2
544.28082	4.8
561.29102	29.3
562.29364	6.1
609.30182	5.4
647.26886	3.1
647.38373	3.3
648.26459	2.1
648.34106	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	645.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
57.03325	4.9
59.01253	4.1
59.90231	0.3
67.01752	0.5
67.84292	0.3
68.99673	0.9
69.03306	0.5
70.55138	1.2
71.01260	5.1
72.99183	2.5
73.02817	0.8
75.00748	25.0
76.86384	0.3
83.01259	1.5
84.02018	0.6
85.02827	26.4
87.00758	2.2
89.02302	0.9
95.01260	3.3
96.95873	1.2
97.02847	0.5
99.00768	2.5
101.02328	0.9
111.00807	0.5
112.01547	1.7
113.02336	14.7
115.00253	0.9
116.01019	0.9
116.92710	0.7
117.01822	1.4
127.04008	0.4
129.01799	1.2
157.01318	1.4
175.02409	1.1
196.79559	0.4
211.13309	0.5
295.85074	0.5
358.29767	0.4
407.36218	0.4
451.32172	1.0
467.31619	1.1
469.33206	10.2
470.33551	1.5
487.58096	0.4
523.34351	2.2
525.32764	0.5
569.34808	5.9
570.35162	1.0
627.35217	0.7
645.36444	100.0
646.36780	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	645.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20201	0.3
55.01742	1.1
57.03054	0.3
57.03326	4.4
59.01249	2.5
61.98692	0.3
67.01749	0.8
67.23600	0.3
68.99687	0.9
69.03333	0.4
69.68659	2.0
71.01260	6.3
72.99186	2.4
73.02808	0.5
75.00750	23.9
79.38194	0.3
83.01245	1.8
84.02032	0.9
85.02826	21.0
85.99972	0.5
86.03154	0.4
87.00768	2.6
89.02338	0.5
95.01260	1.7
99.00754	2.3
101.02328	0.3
103.00243	0.3
111.00780	1.6
112.01602	0.3
113.02333	13.0
115.00256	1.4
116.01020	0.3
117.01831	1.1
119.99572	0.3
124.01526	0.3
127.18952	0.3
129.01819	0.7
143.46558	0.3
157.01344	1.4
175.02406	1.3
355.73688	0.4
423.32669	1.0
437.30472	0.6
439.31946	0.9
441.33798	0.4
451.32504	1.8
469.33240	9.4
470.33572	1.5
499.34235	0.7
523.33875	0.7
524.34204	0.3
525.32324	0.3
569.34589	1.8
570.35266	0.3
627.35370	0.5
645.36438	100.0
646.36829	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	645.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03325	5.2
59.01246	3.3
68.99668	0.6
71.01257	6.3
71.38058	0.6
72.99171	1.8
73.02799	1.1
75.00749	30.2
83.01260	1.4
84.02026	0.8
85.02827	28.8
86.03181	0.9
87.00745	2.4
95.01250	2.7
96.95878	0.6
97.02809	0.7
97.03892	0.6
99.00755	2.4
99.33316	0.5
112.01564	1.0
113.02337	14.6
115.00244	1.3
117.01791	1.1
121.02774	0.5
129.01880	1.0
141.60410	0.7
157.01378	1.1
171.10172	0.9
175.02415	1.3
212.20888	0.5
242.62396	0.5
257.53415	0.5
259.81400	0.6
278.65567	0.5
280.96454	0.5
335.32932	0.6
389.68417	0.6
416.56717	0.5
424.50693	0.7
565.10522	0.6
627.35297	0.8
645.36456	100.0
646.36853	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	645.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03330	4.1
59.01238	1.9
65.10229	0.6
68.99693	1.2
69.60333	4.9
71.01249	6.1
72.99174	2.6
75.00752	21.5
79.28996	0.6
83.01252	1.1
85.02828	21.2
87.00749	2.6
88.16007	0.6
95.01262	2.5
99.00761	3.5
107.62176	0.6
111.00797	0.7
112.01533	1.5
113.02330	10.3
115.00264	0.6
116.01038	2.7
117.01821	2.6
124.43810	0.6
127.78602	0.6
129.01787	1.7
141.56520	0.6
157.01292	1.0
160.10344	0.6
175.02396	0.9
178.91423	0.6
407.29257	1.1
409.31226	0.9
423.32730	10.0
424.33014	2.1
469.33438	2.2
477.33939	0.8
523.34338	3.1
537.35950	0.7
582.18494	0.7
627.35699	0.9
645.36414	100.0
646.36749	23.0
660.01526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43189	1.3
57.03326	31.1
59.01244	5.6
69.03339	2.4
70.71036	1.7
70.71396	4.0
71.01264	3.1
71.97191	1.2
72.14729	1.4
81.03365	1.5
83.04897	1.5
85.02824	2.1
89.02299	1.5
95.01303	1.5
99.00767	2.4
101.02314	1.6
107.04914	1.4
108.57374	1.3
109.06468	6.9
112.38654	1.4
113.02326	1.6
120.54125	1.3
123.08049	27.5
124.08337	1.5
125.09612	5.9
135.08047	8.1
150.03076	1.9
151.11185	7.1
177.12791	2.2
178.91550	1.3
179.10835	1.5
195.13841	73.9
196.14139	5.0
203.83951	1.4
203.99500	1.3
211.07651	1.6
225.11331	1.6
239.12865	100.0
240.13193	5.8
255.02747	1.8
259.52451	1.3
271.02576	2.2
281.54459	1.4
300.02609	1.8
302.79370	1.7
463.36804	1.5
465.12061	3.0
539.14545	3.5
643.27307	14.8
644.27173	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	645.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
55.11202	0.7
57.03327	5.3
59.01251	3.2
68.99690	1.5
71.01259	6.7
72.60020	0.6
72.99189	3.2
73.02839	0.9
75.00748	25.0
83.01250	2.0
83.74080	0.6
84.02042	0.7
84.91331	0.7
85.02827	21.7
87.00747	3.8
89.02296	0.8
95.01260	2.1
98.20654	1.4
99.00763	3.2
101.02340	0.7
111.00745	2.0
113.02333	12.7
115.00233	1.7
117.01822	2.2
129.01855	1.2
155.40794	0.7
156.00369	0.7
157.01297	0.8
175.02400	1.8
194.64670	0.7
229.87132	0.8
234.90146	0.7
407.33188	2.8
577.57794	0.8
601.37494	2.7
645.36420	100.0
646.36774	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	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70433	0.8
57.03337	0.9
59.01245	5.4
69.03330	1.0
71.01250	2.3
83.04926	1.3
87.00732	0.8
89.02287	1.5
97.02853	1.0
97.06478	1.4
101.02315	1.2
109.06492	1.4
111.08044	26.8
127.07596	1.1
135.08041	2.3
137.09581	1.2
137.69427	0.8
147.11679	2.0
151.11192	5.2
151.88847	0.9
153.09163	1.1
153.12796	1.6
165.12778	3.5
167.10748	1.3
167.14291	1.3
169.12265	8.4
171.10199	1.7
179.10576	1.3
181.12318	1.6
183.13847	4.9
191.10660	1.1
193.12312	1.3
197.11772	79.5
198.12109	4.4
199.13329	4.1
211.13342	59.0
211.15414	1.7
212.13644	3.5
212.15611	1.0
215.10405	2.4
219.09979	50.7
220.10355	2.1
227.12836	2.4
231.10085	1.1
233.11559	25.1
234.11694	1.0
251.11433	1.5
253.09239	2.1
263.20190	4.4
265.18039	2.9
287.16479	1.4
291.19662	16.2
292.19962	1.3
309.20703	100.0
310.21054	10.5
313.17822	2.5
330.81561	1.0
331.18915	26.6
332.19067	2.7
374.33850	1.0
375.17838	2.5
396.70200	1.0
401.25391	1.2
405.26389	3.4
431.23175	1.3
441.69165	1.0
445.24533	2.8
447.22412	1.7
543.31812	3.3
641.40625	10.3
642.39960	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	641.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76437	1.0
57.03316	1.2
59.01249	3.3
69.03336	2.1
69.23969	3.6
69.24393	7.7
71.01257	1.7
71.04881	1.1
83.04878	2.0
85.44804	1.0
89.02351	1.2
93.03301	1.6
95.04895	2.2
98.20508	1.7
101.02316	1.8
104.49541	1.0
111.08051	20.6
111.26313	1.1
121.06480	1.1
127.07577	1.6
147.11694	7.9
151.11160	2.3
153.12808	1.7
165.12746	6.2
165.18423	1.2
167.65895	1.3
169.12254	8.7
171.10172	2.7
181.12268	1.4
183.13806	4.8
196.09077	1.1
197.11769	93.0
198.12108	5.6
199.13339	3.7
209.15361	3.7
211.13345	48.3
212.13658	3.4
215.10474	8.8
219.09903	6.4
227.12814	3.1
231.09987	1.9
233.11555	100.0
234.11885	4.6
251.11382	1.3
251.16533	2.3
253.09241	2.0
263.20157	4.1
265.18039	2.7
273.18533	1.5
291.19669	19.7
292.20160	1.8
309.20715	96.0
310.20996	7.2
313.17920	6.1
331.18912	10.5
343.26358	1.5
387.25467	2.1
405.26422	3.5
431.22836	3.7
445.24689	7.1
447.22449	1.9
543.31567	1.5
641.38995	7.8
642.41394	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	641.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.2
59.36395	0.3
59.98374	0.3
69.03329	7.6
69.54067	0.3
70.87012	0.9
70.87368	0.6
71.01237	1.5
73.58078	0.3
74.41943	0.4
81.23292	0.4
89.02306	0.8
95.01263	0.4
97.02831	32.0
97.06450	1.4
98.03161	0.7
101.02303	1.0
105.19765	0.5
110.03619	0.4
111.04379	1.1
113.02332	0.6
113.09596	0.7
125.06008	1.8
127.07539	0.4
135.07977	0.5
141.09065	0.6
152.00899	1.9
161.04393	0.6
163.02438	0.5
165.01450	0.4
165.04195	0.4
165.12700	0.8
167.14336	0.7
168.00320	0.4
177.01633	0.7
178.02385	3.8
181.12285	1.3
183.13846	3.9
191.00372	0.4
191.03235	2.9
193.12257	1.0
210.01424	4.3
211.13345	48.9
212.13690	3.3
219.06328	5.3
220.06917	0.4
221.11513	0.7
233.07899	1.2
233.11624	1.3
234.08665	1.0
235.08127	0.6
240.13632	0.4
246.54515	0.4
247.20656	0.6
253.09241	2.1
261.11081	43.8
262.11835	89.5
263.12122	6.1
264.42239	0.4
265.10757	0.5
267.12152	1.1
291.19684	4.6
294.10864	9.1
295.10455	1.2
303.19382	0.5
309.20703	15.3
310.21124	1.1
310.48010	0.4
313.17874	0.8
329.16006	0.9
331.18906	100.0
332.19250	10.3
359.48926	0.4
447.22321	2.0
572.32135	2.9
573.32745	0.8
641.39075	1.7
642.38867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03312	4.4
59.00954	1.5
59.01250	24.9
65.03831	2.2
69.42673	8.5
69.43081	5.1
71.01254	25.3
71.94827	1.5
72.99167	2.4
73.02823	8.7
76.62319	1.7
81.03353	2.8
83.01264	2.9
83.04908	10.2
85.02834	6.4
85.06450	2.1
87.00764	10.4
89.02328	9.1
91.05420	1.9
93.03352	2.0
95.01240	2.1
95.04915	2.6
97.02774	2.0
97.06468	5.7
101.02328	16.1
107.04893	1.6
109.06468	5.0
111.08046	8.3
113.02313	9.8
119.03362	2.4
119.04848	1.9
123.08044	3.1
125.02319	2.2
125.09624	11.9
133.04930	1.7
137.09613	4.5
137.54742	1.4
143.03387	2.0
145.04935	3.6
148.99928	1.6
150.42982	1.4
161.04446	5.4
171.10194	100.0
172.10507	3.5
173.53459	1.4
179.05673	1.4
187.09795	1.5
187.14787	2.4
205.15923	5.1
209.11769	9.7
211.13367	12.1
213.12881	2.2
215.14375	7.1
221.15372	4.1
231.13855	8.2
233.15430	27.9
235.08183	13.6
247.13469	2.3
249.14948	43.3
250.15292	3.3
251.16551	2.2
253.09235	7.4
259.00711	2.0
331.26340	2.4
341.24786	7.4
357.24393	2.0
359.25848	3.5
367.22769	5.4
372.27090	1.5
375.25473	5.4
385.23816	31.4
386.24176	5.0
393.26782	2.3
403.24902	65.7
404.25223	9.3
407.19080	3.0
421.25961	24.5
422.26309	3.8
477.28384	3.0
479.30566	1.7
485.23853	3.1
495.29453	2.2
611.34241	3.4
621.32837	71.3
622.32874	12.9
639.33923	62.4
640.34113	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	639.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.6
58.00447	2.4
59.01245	27.4
59.26303	2.3
68.99683	3.5
69.03333	2.8
69.26276	9.6
69.26699	15.1
71.01253	29.6
72.99172	5.6
73.02817	4.2
74.53622	2.1
75.00742	20.7
76.24093	2.6
83.01237	4.2
85.02818	27.8
87.00751	15.9
89.02318	12.7
93.03300	4.0
95.01272	4.8
98.20507	5.3
99.00751	9.9
101.02317	9.3
101.11315	2.2
103.00220	3.1
109.06409	2.8
111.00744	3.9
113.02327	26.2
121.02830	6.9
122.03626	5.6
123.04383	3.1
129.01820	3.2
133.02835	4.9
134.03630	34.5
135.04384	4.2
144.98296	2.5
149.02293	9.0
149.05962	8.2
150.03120	41.6
151.00323	2.6
151.03867	10.8
160.01491	8.0
160.39751	2.3
161.04395	3.2
165.05484	30.2
165.12770	2.6
166.02591	7.8
175.02390	3.7
175.03922	6.8
178.02588	4.7
179.07040	3.7
181.04968	22.7
183.13803	8.7
193.04996	26.7
195.06537	10.6
195.13818	3.9
197.15544	3.3
202.78293	2.4
205.31757	2.6
211.13341	100.0
212.13713	4.8
213.14960	19.2
217.68010	2.5
223.13315	6.5
235.13332	6.3
239.12770	4.1
239.73140	2.8
241.14450	64.6
242.14714	5.7
249.06171	32.4
251.12895	9.3
253.09290	32.8
253.14304	7.5
259.13351	6.5
263.12921	5.0
267.06927	4.1
341.10092	4.0
381.11765	4.8
442.10989	9.6
443.11664	14.6
447.22354	18.5
448.22647	2.5
477.16968	3.6
477.23431	43.6
478.23856	5.7
487.21701	6.3
489.23248	6.9
499.21796	7.2
505.22781	5.9
517.22815	5.3
577.24646	3.3
607.17352	5.6
621.18475	4.4
639.19159	85.2
640.19513	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39212	2.7
57.03311	6.2
59.01257	32.4
68.99657	3.1
69.03311	4.5
71.01257	33.1
72.99198	10.6
73.02814	3.8
75.00753	30.7
81.03295	2.3
83.01279	3.7
85.02829	30.1
87.00754	12.4
89.02314	9.2
93.03341	5.0
95.01254	8.0
96.37579	2.1
98.19783	8.2
98.80058	2.6
99.00751	18.4
101.02354	4.0
103.00248	4.4
107.01257	2.4
111.00696	3.8
113.02331	38.1
114.08791	1.9
115.00243	4.4
117.01796	4.1
117.03391	2.3
121.02840	4.9
122.03590	7.6
123.04417	5.3
123.08018	3.7
129.71570	2.2
132.02043	3.6
133.02818	9.1
134.02655	5.0
134.03629	69.9
135.04433	5.4
137.02347	6.3
147.04405	2.7
148.05162	2.5
149.02353	14.6
149.05952	13.2
150.03130	53.2
151.00204	5.5
151.03954	13.8
160.01524	10.3
161.02321	3.8
162.66405	2.2
163.03859	2.4
164.04642	4.7
165.05479	35.2
175.02441	4.3
175.03908	14.5
178.02577	11.0
179.03384	3.1
179.06915	3.0
179.10669	2.8
180.04216	2.3
181.04948	6.8
192.04155	2.7
193.04991	43.6
195.06494	6.9
197.11755	14.7
199.03986	4.4
211.13301	13.1
214.41151	2.5
215.03372	3.6
227.03380	3.2
231.04994	4.1
241.14313	8.0
243.02887	12.9
249.06128	73.1
253.09250	3.4
255.02901	8.8
257.04443	3.0
267.07159	9.6
270.01794	2.7
271.02451	25.2
272.03156	3.2
282.08890	3.7
284.02969	2.6
285.04153	5.9
299.02017	32.3
300.02606	13.2
314.04269	36.6
315.05096	30.9
316.05307	4.4
341.10281	4.6
381.11990	5.5
389.12125	4.0
442.11099	15.6
443.11795	14.1
477.23248	4.8
591.16943	4.0
603.17004	3.7
621.18256	19.2
622.18030	3.6
632.29248	2.7
639.18475	100.0
640.19067	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	639.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.7
59.01259	21.1
68.99685	4.7
69.57948	11.0
69.58365	3.9
70.65404	2.1
71.01263	27.6
72.99182	7.3
73.02801	3.0
75.00745	24.5
85.02833	22.0
87.00751	10.2
89.02319	5.2
93.03347	5.5
95.01260	8.2
99.00762	13.7
101.02335	3.0
103.00213	2.4
111.00854	2.4
113.02337	28.0
117.01827	4.8
121.02888	3.1
122.03599	9.5
123.04424	5.3
129.01845	3.6
132.01996	2.4
133.02888	6.0
134.03639	45.3
135.04420	4.4
137.02417	3.8
149.02341	11.8
149.05983	11.5
150.03148	54.9
151.03923	11.5
160.01575	8.2
161.02393	4.1
164.04720	2.5
165.05498	51.4
175.02521	4.0
175.03923	12.4
177.01868	2.6
178.02634	6.6
179.03439	3.3
179.07082	3.4
180.04213	5.1
181.04959	6.6
193.04996	37.3
194.05476	2.3
195.06570	11.3
211.13356	15.8
213.14862	4.9
231.05054	3.0
241.14461	9.6
249.06139	39.3
250.06256	2.6
251.05719	2.8
251.13029	2.3
253.09256	7.2
267.07224	8.7
341.10300	2.6
381.11853	4.6
442.11160	18.4
443.12006	14.8
447.22293	4.0
457.13379	3.0
477.23309	8.7
500.91776	2.7
518.58636	2.1
621.18317	3.4
639.19312	100.0
640.19568	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	639.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.8
59.01250	16.0
61.35600	0.9
62.82799	0.9
63.65165	0.9
67.01740	1.2
68.99687	3.4
69.03323	2.1
69.32143	2.5
69.32555	7.3
71.00903	1.1
71.01257	19.1
72.99174	6.9
73.02824	3.4
75.00747	18.7
83.01267	1.2
85.02820	21.1
87.00756	8.3
87.89463	0.9
89.02322	4.9
93.03336	2.3
95.01280	5.1
99.00760	12.0
101.02320	2.6
103.00261	1.5
109.02840	1.1
110.92719	0.9
111.00750	2.5
113.02327	21.5
115.00231	2.2
117.01820	2.6
117.03322	1.1
121.02803	5.3
122.03622	4.5
123.04413	2.6
129.01845	2.2
133.02850	4.6
134.03636	33.8
135.04428	4.5
136.01524	1.0
137.02289	2.4
148.05136	1.9
149.02348	11.8
149.05966	7.5
150.03128	32.5
151.03929	12.4
157.01299	1.6
160.01541	5.0
161.02325	3.3
164.04637	2.8
165.05486	29.6
166.05858	0.9
175.02376	3.7
175.03906	9.4
177.01791	2.1
178.02678	4.9
179.03427	1.9
179.07033	1.9
180.04193	2.7
181.04971	9.1
189.03894	1.2
193.04987	26.6
195.06595	7.9
196.78490	1.0
211.13376	7.0
212.13638	0.9
213.14888	1.8
223.34181	1.1
231.05017	2.4
239.07074	1.4
241.14424	3.4
249.06133	34.9
250.06378	3.2
253.06963	1.3
253.09270	1.3
267.06744	7.5
269.12860	1.1
282.08899	5.3
295.10916	3.3
300.02707	1.0
321.08844	1.9
341.10263	7.4
381.11914	5.1
415.14017	1.7
425.10745	3.0
439.12320	2.0
442.11151	8.9
443.12024	9.0
457.13657	3.6
477.23636	2.1
478.77231	1.1
502.79697	1.0
545.17786	2.4
589.16431	3.7
591.17004	1.8
607.17340	4.6
621.18225	3.8
639.19275	100.0
640.19513	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	639.157
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
51.97379	0.5
57.03319	1.3
58.92526	0.5
59.01237	1.6
65.00197	1.2
69.88974	0.5
73.02831	0.6
73.37936	0.6
73.60469	0.5
84.28463	0.6
85.02816	0.7
85.69102	0.6
93.03336	0.9
101.95399	0.7
107.01276	2.2
115.00359	0.6
124.01553	1.0
125.02347	1.4
136.01567	0.7
137.02357	1.4
138.05513	3.4
139.03865	0.6
143.04865	0.8
151.00275	9.2
159.04431	0.8
163.00262	2.4
169.01321	1.2
171.04427	0.9
175.03908	1.0
178.99750	4.7
187.03932	1.5
199.04044	2.8
203.03430	6.5
215.03432	4.7
217.01285	0.9
231.02953	5.5
232.03273	0.7
241.01353	0.9
242.02156	1.4
243.02953	8.2
258.01682	1.4
259.02457	16.7
260.02759	1.0
269.00839	0.8
270.01569	1.6
271.02490	19.1
272.02771	0.9
285.03867	2.0
286.01175	0.7
287.01978	30.6
288.02356	2.6
295.36774	0.6
301.03464	3.0
302.04190	0.7
311.83435	0.7
315.01480	62.2
316.02054	15.1
324.94208	0.7
327.08542	0.7
329.02957	1.0
330.03809	71.5
331.04492	26.5
332.04947	1.2
477.09967	0.8
521.22516	1.0
545.16455	0.7
607.16559	1.2
639.15643	100.0
640.15936	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	639.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24203	0.9
54.46783	0.8
57.03310	1.0
59.01242	4.5
65.00187	1.7
67.01770	0.9
72.99193	1.5
73.02810	1.0
74.93011	0.8
75.00741	1.6
78.11865	0.8
85.02822	2.1
87.00742	1.9
89.02323	2.0
91.21631	0.8
93.03329	1.8
95.01242	2.5
96.95885	1.4
99.00742	1.8
101.02323	1.9
107.01264	1.5
109.99987	2.4
111.00739	2.7
113.02319	2.2
121.02880	1.2
123.00759	3.9
124.01566	1.8
125.02324	2.6
135.00740	1.1
135.04361	1.2
136.98666	1.1
137.02324	3.2
137.99481	0.9
139.00305	5.4
147.02769	0.9
149.02321	2.9
151.00288	4.9
152.01018	1.9
153.01796	1.2
161.02350	1.3
163.00302	1.6
163.03883	1.6
164.00984	0.9
164.04698	2.7
165.01756	1.6
165.98970	3.9
166.99814	2.2
169.01393	1.6
171.04390	2.9
175.03911	1.4
178.99739	4.2
180.00359	0.8
181.05000	1.0
186.03139	0.8
187.03882	3.1
189.01884	1.3
191.03444	0.8
193.98547	1.2
197.02234	1.2
198.03047	1.1
199.03880	1.2
202.02599	1.2
203.03455	2.1
209.00818	1.9
213.01889	2.0
214.02570	2.4
215.03448	6.5
223.06093	5.8
225.01869	1.0
226.02740	1.8
227.03337	1.4
228.04146	0.9
229.01360	1.0
230.05513	1.1
231.02910	4.2
241.01395	3.4
242.02100	5.5
243.02911	6.8
244.03571	1.9
255.02921	1.9
257.04431	1.6
258.01660	6.0
259.02386	8.8
269.01059	1.4
270.01770	6.7
271.02448	7.2
272.03159	2.8
273.03998	3.7
281.06772	2.7
284.03275	1.9
285.03998	9.0
286.01273	5.0
286.04269	1.4
287.01984	32.2
287.05347	2.9
288.02313	2.2
297.00565	1.0
298.01099	2.8
299.01880	2.6
300.02756	1.3
301.03497	8.6
302.04260	10.0
303.04962	1.9
313.03568	11.9
314.04013	2.3
315.01553	16.1
315.05042	2.2
316.02155	7.2
317.02631	1.2
321.45337	1.1
329.02896	2.1
330.03781	30.8
331.04547	20.2
332.04843	2.0
477.10217	1.1
489.12177	1.5
567.26471	1.6
621.14471	1.8
639.15607	100.0
640.15900	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	637.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01255	5.0
65.03847	0.7
69.03335	0.4
69.18673	0.4
71.01257	3.1
73.02821	0.5
75.00825	0.3
75.08350	0.3
83.01269	0.6
85.02840	1.3
85.21091	0.3
87.00758	0.8
89.02317	1.8
91.05428	0.4
93.03374	0.4
95.04929	0.6
97.06458	0.8
101.02315	2.6
105.07001	0.4
113.02353	1.5
115.05412	0.8
117.03349	14.1
118.03649	0.5
118.10236	0.4
119.04916	25.4
120.05254	1.0
121.02840	1.5
123.04378	0.4
125.09621	2.4
131.37196	0.3
145.02861	100.0
146.03169	3.9
161.04503	0.5
163.03931	19.0
163.11093	0.4
164.04312	1.0
171.10190	2.3
173.44141	0.4
187.14816	2.1
209.11783	1.1
213.12816	1.0
231.13821	4.7
235.08194	0.7
235.68666	0.4
247.13373	1.3
253.09154	0.7
269.21255	1.4
287.19495	0.3
287.22278	8.6
288.22699	0.5
290.16605	0.3
329.24860	0.4
348.89825	0.4
373.23700	1.0
383.22324	3.3
391.24805	0.5
401.23337	6.3
402.23553	0.4
405.54724	0.4
415.24887	1.1
419.24594	1.7
424.70615	0.4
433.25949	69.6
434.26328	7.5
475.27231	0.6
534.82849	0.4
609.32434	0.5
619.31213	4.5
620.31470	0.9
637.32330	18.6
638.32654	3.3
665.06927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96650	1.2
58.44447	1.1
59.01249	3.4
66.52969	1.1
69.39909	2.4
69.40311	8.7
78.95785	1.4
79.95612	1.9
80.96399	6.9
94.97962	2.1
108.28011	1.2
160.20590	1.2
200.32341	1.1
209.11765	1.3
210.30440	1.2
225.00760	2.7
273.51871	1.3
297.70486	1.3
299.04535	2.6
312.81253	1.1
410.46646	1.3
460.14706	1.9
461.15991	1.6
475.17603	17.4
476.18161	3.9
477.19336	10.0
478.19565	1.5
489.19409	2.9
491.20853	4.3
503.17566	1.6
531.20428	5.8
555.28479	17.7
556.28076	1.8
566.02478	1.4
577.24585	22.3
578.24994	3.6
605.23792	3.0
637.26654	100.0
638.27039	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	637.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	8.1
66.36289	1.8
69.23516	3.9
69.23936	16.9
71.01250	9.3
72.99178	1.6
73.21404	1.4
73.24406	1.7
74.86507	1.6
75.00769	3.1
78.96112	1.7
79.56796	1.4
85.02818	5.0
89.02306	2.3
95.90712	1.7
99.00750	2.8
101.02307	2.1
113.02337	5.4
122.06059	2.0
145.02821	1.7
150.03056	2.1
150.05542	2.2
160.03909	5.2
165.05434	3.2
188.03398	1.9
199.00221	1.6
212.07080	3.1
227.03551	4.6
227.08141	2.3
228.03690	2.1
229.25381	2.0
238.08817	3.0
239.08170	2.5
240.05244	3.6
241.06161	2.9
249.06305	1.9
254.06888	2.5
255.03032	7.7
255.07790	10.2
256.03415	5.2
257.03745	3.5
257.09213	12.1
266.08218	4.8
267.07382	9.3
267.11484	3.6
269.09354	10.0
280.04770	2.0
281.05814	1.9
281.09320	7.1
282.02805	2.2
283.07248	6.2
283.10806	5.7
284.03299	8.9
285.03430	8.9
285.12384	2.4
286.03870	6.4
293.09290	4.1
294.06927	5.8
295.07184	14.4
296.07913	2.6
302.06451	1.7
309.08884	18.9
311.10349	33.5
312.10724	2.8
315.09760	2.6
337.08307	50.0
338.08539	4.6
350.06940	1.7
355.09210	6.0
373.13046	4.7
433.15131	5.1
450.62115	1.6
458.12659	2.2
517.18329	22.3
518.18671	2.7
531.65204	2.5
543.16211	10.7
561.16992	11.8
605.16290	100.0
606.16650	15.5
637.17188	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	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60742	2.8
57.03312	9.7
59.01252	49.5
61.99396	3.0
67.01746	7.9
68.99686	12.1
69.03333	7.7
69.59963	7.1
69.60374	14.6
71.01254	56.0
72.99179	8.0
73.02833	5.9
74.32366	2.9
75.00745	13.1
78.20905	2.8
83.01252	8.7
85.02828	49.9
87.00739	20.0
89.02319	12.2
90.06435	3.0
93.03342	4.8
95.01258	9.0
96.95891	15.4
99.00761	8.3
101.02329	10.8
107.01245	3.1
111.00751	10.0
113.02333	60.2
115.00225	4.0
119.04900	7.7
121.02796	3.1
123.04394	5.5
125.02325	4.5
126.08514	3.3
129.01810	2.7
132.02025	6.5
133.02869	6.9
134.03600	10.8
135.02917	6.7
139.00298	4.4
145.02846	17.5
147.04422	8.2
148.05193	4.5
151.00238	6.3
160.01581	23.8
161.02251	8.3
161.05916	5.5
174.03142	10.6
175.03935	27.3
176.04445	6.1
191.03436	8.0
191.07007	3.9
193.04916	12.1
202.02649	3.1
207.08185	3.5
209.06073	3.1
217.05106	3.1
221.05984	4.5
222.06915	4.2
223.07660	5.3
227.03479	9.5
235.07765	4.3
237.05530	4.2
239.07018	8.5
243.02759	4.0
249.05927	16.8
250.06265	9.6
251.07048	19.3
255.02983	16.2
262.06329	5.0
263.07614	39.8
264.07715	11.0
265.04993	4.7
267.06665	46.8
268.07114	7.7
271.02502	25.9
272.02777	7.4
277.05011	3.9
278.05652	6.8
279.06586	32.4
279.10159	12.2
280.07196	7.7
281.08777	65.0
282.09033	21.3
283.09546	4.3
284.03293	11.5
285.03644	3.6
294.05374	10.8
294.08957	19.0
295.05951	7.8
295.09167	4.6
297.11288	8.4
299.01981	22.4
300.02594	20.1
301.02966	6.0
307.05975	4.7
308.06958	12.0
309.07593	16.0
311.05585	4.6
319.06146	4.1
322.08398	9.7
323.05579	19.2
323.09189	27.1
324.09778	6.3
326.07996	4.0
337.09216	13.4
338.07846	18.6
339.08792	6.3
341.10236	20.6
353.10294	100.0
354.10687	6.6
371.11441	4.7
427.14194	6.8
465.62494	7.3
468.16049	3.5
499.14496	12.7
517.19135	9.9
529.16754	4.8
539.14795	5.1
540.13922	3.4
541.16998	16.2
546.64893	6.7
554.14685	4.1
585.15881	17.7
586.16345	3.6
605.18829	49.9
606.19318	9.6
617.18756	85.1
618.19073	15.5
635.19818	64.5
636.20496	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	635.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32928	4.0
57.03314	10.2
59.01250	64.7
69.32457	45.7
71.01254	25.2
71.36366	3.7
71.47866	4.0
72.99190	8.0
73.02785	6.4
75.00739	22.6
85.02826	50.1
87.00762	9.1
89.02340	9.0
95.01247	8.0
96.95911	10.3
99.00758	17.5
106.53644	4.1
108.09651	4.7
113.02314	29.3
121.02786	5.2
129.01839	7.9
135.02901	16.1
145.02853	5.2
151.00314	6.2
160.01637	6.1
161.02330	8.6
165.05464	4.4
175.03868	8.6
179.10684	10.8
227.03435	17.8
249.06104	13.5
250.06297	5.5
253.01704	4.1
255.02979	40.7
256.03510	7.7
267.07196	31.1
268.07336	9.1
269.04489	13.9
271.02344	4.6
283.02164	4.5
283.09720	6.9
284.03302	40.3
285.03979	21.9
296.07050	4.5
299.01825	7.9
299.09390	5.0
309.07632	7.5
312.06464	11.0
314.04303	5.4
323.09219	11.1
324.10062	7.8
327.08807	25.1
327.12054	5.1
328.09204	5.6
339.08707	39.1
339.12451	11.5
342.10931	28.1
354.11136	13.3
357.13443	100.0
369.13388	88.8
370.13840	8.3
387.14334	5.6
416.60703	5.1
429.17688	10.4
468.57471	4.5
473.16513	16.7
517.19305	32.0
635.23004	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59797	1.6
56.51280	1.7
56.81518	1.9
59.01253	38.7
61.87719	1.8
61.98694	2.3
67.03892	1.5
71.01254	34.2
71.15626	4.3
72.99163	2.5
73.02824	8.3
75.00737	9.3
83.01238	1.9
85.02827	12.3
87.00758	6.6
89.02310	18.6
95.01249	3.8
96.95879	6.5
97.02837	1.9
99.00801	2.7
101.02334	16.4
113.02324	14.2
119.03375	5.5
123.00769	2.5
125.02351	13.6
136.74142	2.1
143.03365	2.0
145.02881	2.3
161.04480	3.1
165.03902	5.8
165.12811	3.0
171.10234	13.6
179.05551	3.3
181.12225	2.2
194.33736	1.9
199.13371	3.0
205.12189	1.9
211.13266	3.1
225.11143	1.8
247.20731	3.7
271.20703	4.1
273.18546	1.9
277.07458	1.8
291.19690	30.9
292.20068	4.8
293.21152	6.2
309.20709	100.0
310.21005	7.8
315.19693	10.4
333.20767	16.3
341.10779	3.8
345.20697	5.5
363.21753	2.6
381.22882	9.6
399.21689	2.5
411.23969	16.1
453.24463	4.7
455.26300	2.8
463.98221	2.0
471.26208	17.4
472.26212	2.3
473.90207	2.3
601.99927	2.2
633.31018	50.9
634.31757	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	635.1614
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
50.31135	0.2
50.73836	0.2
58.11176	0.2
59.01253	1.0
63.02250	0.5
65.00192	0.5
69.44210	1.6
77.94628	0.2
79.82498	0.2
83.01233	0.5
85.02830	0.6
88.66151	0.2
93.03312	0.4
93.10731	0.2
95.01210	0.2
95.42116	0.2
96.95871	0.3
107.01266	1.9
108.02039	0.3
113.02338	0.2
117.03284	0.3
132.02049	1.4
135.00806	1.7
145.02867	0.3
150.03169	0.3
151.00287	2.7
152.01076	0.2
155.04956	0.3
161.02321	0.2
163.00264	1.2
164.01028	0.8
165.05428	0.2
167.04874	0.4
169.01347	0.4
171.04404	0.5
178.99799	1.6
183.04427	1.2
185.02373	0.8
185.06036	0.4
187.03949	0.8
189.05449	0.2
195.04295	0.4
197.06064	0.3
199.03934	0.7
200.04742	0.5
209.00766	0.3
211.03957	2.5
213.01883	0.3
213.05537	0.3
227.03445	43.7
228.03864	2.6
229.05006	2.2
239.03406	1.3
241.04903	0.5
255.02965	78.3
256.03461	7.8
257.04501	2.2
267.07312	0.2
283.02411	1.2
284.03256	100.0
285.03891	19.7
286.04514	1.1
299.01941	0.2
327.05087	0.5
393.06235	0.5
411.07370	0.3
425.42380	0.2
457.13083	0.5
471.09698	1.0
473.10989	0.3
473.16898	0.3
489.10559	0.2
491.28317	0.2
531.15918	0.2
538.89600	0.2
575.13574	0.2
593.15137	1.4
593.44623	0.2
594.15515	0.2
609.68976	0.3
635.16138	47.4
636.16412	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	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.7
59.01251	19.8
61.98682	2.8
70.29624	1.6
71.01257	13.4
71.58421	1.4
71.58852	1.5
72.99158	1.8
73.02802	1.5
75.00745	8.6
78.95746	3.0
81.03345	1.5
83.01264	2.5
83.04897	1.6
85.02821	7.1
87.00755	11.3
88.00253	2.5
89.02318	9.2
95.01263	2.5
95.04907	1.8
96.95863	2.3
97.06468	14.0
100.62962	1.4
101.02310	6.1
111.08032	1.4
113.02364	7.9
119.03410	3.3
123.08018	6.4
125.09615	99.3
126.09930	3.8
143.10677	1.9
145.02908	1.8
155.18857	1.4
161.04417	1.6
165.12744	6.1
169.08604	2.3
171.10173	2.9
179.05574	3.0
181.30901	1.4
183.13840	37.5
187.09688	66.3
188.09978	3.4
196.10359	1.4
196.42906	1.2
197.11801	3.3
202.11348	1.3
215.88873	1.3
227.12808	2.3
253.09364	2.9
309.20554	6.7
341.10880	3.1
393.66776	1.3
405.17517	2.3
423.18814	16.0
471.25803	2.3
487.22333	1.6
589.32513	9.8
615.29871	4.2
633.31036	100.0
633.39673	12.2
634.31433	22.3
634.40295	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	631.385
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
52.98864	0.4
54.20941	0.5
55.01748	1.9
55.50977	0.5
56.49503	0.4
57.03084	0.5
57.03328	5.3
59.01243	1.6
60.06014	0.5
60.14747	0.5
67.01746	1.1
68.99680	0.6
69.26407	5.9
71.01246	3.8
72.99173	2.0
75.00748	25.9
83.01273	1.7
84.02040	0.6
85.02821	22.1
87.00745	1.4
95.01254	3.0
97.02823	0.6
97.32954	0.5
98.20624	1.0
99.00770	1.3
111.00809	0.6
112.01545	1.2
113.01625	1.0
113.02337	12.7
115.00246	1.3
116.01036	0.7
129.01833	1.0
130.02162	0.5
143.82120	0.5
157.01315	1.0
175.02399	0.9
196.41888	0.5
299.25415	0.6
437.34103	0.6
453.33575	1.7
455.35205	7.4
456.35214	1.2
509.36386	2.5
547.66241	0.6
553.33948	0.6
555.36816	3.1
613.37183	0.7
631.38513	100.0
632.38916	17.1
632.47351	0.5
648.47296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
56.10287	0.3
57.03324	5.0
59.01254	2.5
62.48191	0.2
67.01756	0.6
68.99690	0.7
69.03310	0.4
71.01257	4.4
72.99186	2.5
73.02834	0.6
73.86658	0.2
75.00748	27.6
76.01096	0.5
83.01248	1.5
84.02058	0.5
85.02826	24.3
85.99999	0.3
86.03170	0.3
87.00746	2.0
89.02316	0.6
95.01260	3.1
95.01825	0.3
96.02436	0.2
97.02825	0.6
99.00765	2.0
101.02365	0.2
103.00267	0.2
111.00750	0.4
112.01554	1.2
113.02337	12.5
114.02694	0.4
115.00261	0.9
116.01051	0.5
117.01810	1.0
129.01846	1.1
157.01329	1.3
171.10126	0.3
175.02411	0.8
299.74734	0.2
337.98798	0.2
437.34256	0.9
453.33972	1.0
455.35287	8.1
456.36160	1.0
483.35095	0.3
509.36417	1.6
511.34253	0.4
555.36957	2.4
556.37537	0.5
613.37579	0.7
631.38513	100.0
632.38892	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	631.3852
Annotation	LMPR0106150003
Peak:m/z	Relative Intensity
53.02527	0.3
55.01757	2.0
57.03328	5.7
59.01256	2.1
61.49377	0.3
67.01770	0.5
68.99691	0.7
69.03307	0.4
71.01253	4.5
71.34042	0.6
72.99176	2.9
73.02823	0.5
74.49970	0.2
75.00747	27.1
76.01086	0.5
83.01253	1.2
84.02042	0.6
85.02822	25.5
87.00739	2.2
89.02285	0.6
95.01272	3.2
97.02790	0.6
99.00763	2.1
101.02318	0.4
109.92281	0.3
111.00736	0.3
112.01535	1.1
113.02328	12.4
115.00223	0.6
116.00996	0.5
117.01853	1.4
124.91853	0.3
125.30119	0.3
129.01794	0.9
139.00279	0.4
156.31798	0.3
157.01291	1.2
175.02390	1.3
185.54196	0.3
213.47484	0.3
231.15523	0.3
409.34634	0.6
453.33716	0.6
455.35220	1.6
555.36829	1.2
587.39728	2.7
588.40045	0.4
613.37262	0.7
631.38470	100.0
632.38800	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	631.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.1
70.07853	6.6
78.95778	46.6
106.85378	1.3
110.37443	1.2
110.98420	33.2
111.08063	3.9
152.99512	18.5
165.12772	49.1
165.48903	1.5
166.13153	2.3
167.01073	19.1
167.13905	1.2
174.80743	1.1
181.12289	1.4
183.13832	67.2
184.14200	3.8
185.02087	4.6
191.10852	1.5
202.24373	1.2
207.10187	1.9
209.11777	3.9
225.11339	4.1
227.12875	24.7
241.14474	3.5
253.21638	3.6
255.23259	3.9
294.58841	1.4
345.11053	4.9
377.13672	20.3
378.14127	2.1
395.14761	100.0
396.15106	6.3
415.89066	1.3
560.24915	2.0
631.36212	17.0
632.36737	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	631.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03088	0.7
57.03322	5.1
59.01245	7.2
61.98682	1.0
63.99625	0.9
69.33051	7.6
71.01250	6.5
72.99179	2.5
73.02824	1.1
75.00744	27.1
83.01252	1.8
85.02830	21.9
87.00731	1.7
89.02316	1.8
95.01269	2.5
96.95914	1.5
97.02847	0.9
99.00768	2.7
101.02305	1.8
103.00250	0.8
112.01562	0.9
113.02335	12.3
115.00263	0.8
116.01031	0.8
117.01837	1.2
129.01811	0.8
136.41368	0.8
139.07643	0.6
157.01324	1.5
171.10213	1.3
201.11333	3.9
204.06766	0.7
209.11690	1.1
211.13354	4.1
242.16515	0.9
453.33746	1.2
455.35263	7.6
456.36057	1.1
509.36420	1.3
555.36865	2.7
631.38525	100.0
632.38885	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	631.3852
Annotation	Laetiposide C
Peak:m/z	Relative Intensity
53.32042	0.4
55.01751	1.6
57.03325	5.7
59.01242	1.7
67.01762	0.8
68.99697	0.7
69.57620	2.9
71.01257	3.8
72.99193	2.3
73.02815	0.5
75.00749	27.2
82.94665	0.4
83.01250	1.4
84.01994	0.4
85.02827	22.9
86.03152	0.7
87.00740	1.5
95.01265	3.2
99.00777	1.5
112.01535	0.9
113.02335	11.0
114.02614	0.4
115.00234	0.6
116.01032	0.8
117.01823	0.7
129.01826	1.4
156.82161	0.4
157.01361	1.0
159.55638	0.5
175.02368	0.8
200.26155	0.4
283.57281	0.4
304.40686	0.4
367.11710	0.4
453.33792	0.6
587.38977	2.9
609.65253	0.5
631.38501	100.0
632.38843	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	629.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.5
57.03334	4.1
59.01254	4.9
67.01760	0.6
68.26460	0.4
68.99688	0.4
69.03317	0.4
70.59147	0.4
71.01255	8.0
72.99182	4.3
73.02811	1.0
75.00749	24.8
83.01263	1.1
84.02036	0.6
85.02824	25.2
87.00737	2.3
89.02322	0.7
89.30885	0.5
95.01247	3.4
97.02825	0.7
98.19825	1.1
99.00766	2.6
101.02336	1.0
112.01518	1.2
112.75586	0.4
113.02343	12.9
115.00287	0.6
115.67705	0.4
116.01016	0.5
117.01839	4.5
129.01808	0.8
140.00366	0.4
157.01291	1.8
175.02437	0.9
199.09769	0.7
201.23567	0.5
211.13385	1.3
258.15393	0.6
297.14240	0.5
299.33420	0.4
303.66953	0.5
441.33835	1.1
451.32095	0.8
467.02850	0.5
523.93884	0.5
611.35284	1.3
629.36957	100.0
630.37311	21.2
630.45313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	63.1
60.95250	1.3
70.66116	3.4
71.01266	4.4
73.02827	2.7
76.73919	1.3
85.02842	2.5
89.02298	1.5
93.03365	2.1
101.02326	3.4
104.13840	1.4
121.02847	3.9
122.03639	6.5
145.02840	1.5
149.02359	21.0
150.03137	46.3
151.00359	1.7
151.03773	2.2
161.02364	4.7
164.04674	7.8
165.05496	69.8
166.05818	2.7
176.04686	4.1
179.03413	9.7
180.04187	5.1
191.07065	2.3
194.05788	14.5
194.64546	1.2
195.06572	100.0
196.06949	4.6
209.08130	43.0
209.10072	2.7
210.08597	2.3
239.12794	1.3
245.87822	1.3
249.06155	1.6
258.62079	1.6
267.07245	2.2
293.73709	1.3
300.02863	2.6
327.93060	1.6
342.11136	5.8
357.13461	46.5
358.13873	4.6
405.15521	19.6
406.16025	2.4
566.40485	1.6
624.24573	1.4
627.25275	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	627.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
57.38544	0.8
59.01249	7.1
69.03313	1.8
69.48289	6.6
71.01257	4.4
71.04890	5.2
73.02801	2.2
83.01308	0.8
83.04907	1.4
85.02818	2.9
89.02283	1.0
95.04908	2.1
96.95879	2.6
97.02845	4.9
97.06476	7.6
98.19829	1.5
99.00758	17.7
101.02307	2.5
109.06458	1.3
110.03560	0.8
113.02330	1.5
121.02758	0.9
123.08018	2.6
123.97333	0.8
125.09621	10.8
127.11172	1.2
128.49760	0.8
135.08064	1.4
136.05197	0.9
142.02644	1.7
153.12767	1.3
161.09619	0.9
163.11203	13.0
165.12794	1.4
171.10190	7.0
181.12268	30.2
182.12666	1.5
183.13817	2.9
185.11711	1.5
197.11804	2.3
199.13370	11.2
207.08351	1.5
207.10225	26.6
207.12181	1.6
208.10538	2.0
209.11824	1.9
211.13327	15.7
221.11742	3.0
225.11288	42.6
226.11598	3.0
229.14410	9.3
231.11241	0.8
232.18604	0.8
243.12350	34.5
244.12627	2.3
269.04456	1.6
273.59555	0.8
291.19797	2.6
299.14865	1.8
309.20828	0.8
317.16046	17.8
318.16495	1.2
327.21777	32.7
328.22052	1.5
368.36386	0.9
383.86996	0.9
391.24847	0.9
421.69995	0.9
525.64362	0.8
627.37476	100.0
628.37927	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	627.21
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.29546	0.5
71.49319	1.1
73.02809	1.2
76.61880	0.5
85.60405	0.5
106.83548	0.5
190.99542	0.6
222.12999	0.5
286.45605	0.6
395.58026	0.5
409.12973	0.6
437.12604	1.2
438.13275	2.3
439.13333	0.8
451.14014	1.9
452.14948	5.6
453.15289	0.9
464.17654	0.9
465.16556	1.0
466.16418	1.0
468.34418	0.6
479.17349	1.1
480.14041	1.0
481.15045	10.8
482.15424	2.2
492.17529	1.5
493.15784	1.2
494.15875	1.1
495.16803	19.6
496.17056	4.8
507.16476	1.0
508.17169	2.6
509.18176	2.3
512.13501	1.3
521.14313	1.0
522.14905	1.0
523.16754	0.8
526.14996	1.4
533.18347	0.7
535.16132	3.7
536.16925	4.2
537.17303	1.0
539.22491	1.0
540.16217	3.7
540.23444	0.9
541.16809	1.0
551.19427	49.6
552.11420	1.0
552.19641	13.2
553.16980	0.9
554.17889	1.1
555.18677	2.2
568.16083	1.5
572.15942	3.3
573.15747	1.1
583.21289	0.8
586.17572	2.7
595.18170	12.3
596.18329	2.7
626.27338	1.0
627.20862	100.0
628.21240	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1565
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.88031	5.8
59.01257	8.0
71.01254	7.4
71.57313	7.0
81.03332	13.4
83.01261	14.4
85.02820	13.7
88.87382	6.0
97.02859	11.1
107.01279	10.2
109.02825	12.9
113.02283	8.5
119.04929	29.5
121.02827	15.9
123.04432	15.3
125.02349	22.2
135.04436	26.2
137.02325	19.2
139.03911	10.2
149.02390	8.7
150.03149	11.9
151.00301	25.1
151.03909	54.7
153.01820	14.1
159.04411	7.6
163.00244	10.2
163.03929	14.8
165.01773	13.0
167.03386	21.3
175.03902	8.4
177.01854	17.6
179.03351	13.1
184.18080	6.5
193.01419	7.8
195.02917	9.0
205.01360	14.1
205.05013	12.5
207.02991	12.2
209.04478	24.4
219.03070	10.8
235.02457	15.3
262.62906	6.0
291.05350	10.2
303.05084	8.6
313.07111	11.5
329.06516	6.6
355.08206	33.1
385.09143	21.8
387.07022	14.5
417.08252	10.0
419.09845	8.5
459.09219	8.5
465.10352	25.4
475.12256	18.0
503.12140	8.0
507.11371	44.2
508.11926	6.7
537.13495	7.2
593.15051	9.8
609.14319	10.2
627.15674	100.0
627.25366	13.7
628.16211	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	625.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61557	1.5
57.03330	32.8
59.01247	10.0
69.03336	1.9
71.01270	6.0
83.01262	1.7
83.04865	2.0
85.02836	2.0
85.06486	2.2
89.02342	2.5
101.02314	3.9
109.02849	1.6
109.06499	5.9
113.02337	2.8
123.08054	31.3
124.01522	2.0
124.08307	1.9
125.02410	2.1
125.09605	2.6
135.08054	7.3
141.77438	1.5
151.00308	2.8
151.03886	1.8
151.11194	9.0
164.01178	2.0
178.99828	3.6
195.13847	81.3
196.14256	4.8
203.03503	1.7
209.11848	6.5
214.02670	2.4
222.40710	1.7
227.03566	2.3
227.12804	15.0
233.05400	1.7
239.09088	4.6
239.12866	100.0
240.13214	8.3
242.02177	5.1
243.02940	2.3
255.02927	3.0
259.02493	1.9
270.01608	3.5
271.02499	23.4
272.02942	2.1
281.72437	1.9
284.03171	6.7
287.01987	11.4
288.02512	2.2
299.05612	8.3
300.02823	5.1
301.03571	3.1
316.02219	59.9
317.02866	12.0
365.58713	1.9
397.13486	7.1
401.80692	1.8
415.14658	3.2
625.13922	41.2
626.14191	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	24.5
65.41712	1.2
68.99745	1.1
69.03345	1.4
71.01258	15.9
72.99168	2.5
73.02840	2.5
75.00758	1.9
77.24343	1.1
80.02556	2.2
81.03329	1.3
83.01272	1.7
83.04881	6.9
85.02807	5.4
87.00762	3.6
89.02317	13.9
95.01273	1.2
97.02836	2.4
98.19589	1.5
99.00781	1.8
101.02324	13.1
113.02335	7.8
114.51447	1.1
119.03406	4.0
125.02343	5.0
143.03386	2.3
161.04492	3.4
163.11185	5.2
165.12785	2.6
172.05844	1.1
179.05501	2.7
183.54269	1.1
201.24654	1.0
209.11777	100.0
210.12137	6.2
216.75961	1.3
227.12820	18.5
228.13162	1.7
235.08234	4.1
253.09317	1.9
271.02463	2.1
285.03558	1.1
287.07611	1.5
299.05539	2.1
300.02786	1.3
306.07684	2.4
307.08249	1.5
370.08032	1.1
397.13477	27.1
398.13934	2.3
403.13910	1.6
415.14630	20.3
416.15356	1.8
465.57678	1.1
521.32617	3.3
625.28735	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	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68316	0.5
57.03338	0.6
58.00485	0.6
59.01254	21.3
60.72280	0.5
69.03333	1.4
69.92605	2.0
69.93018	1.1
71.01257	13.2
72.25573	0.5
72.99176	0.9
73.02821	2.5
75.00753	0.7
83.01274	1.5
85.02826	3.2
87.00758	3.0
89.02321	13.4
95.01251	1.1
97.02834	2.3
97.03423	0.5
99.00735	0.7
101.02333	10.4
111.08080	1.1
113.02340	5.7
119.03413	2.9
125.02343	2.6
131.03328	0.6
143.03404	1.4
161.04474	1.9
165.12766	9.4
168.47139	0.5
179.05489	1.6
183.13838	72.3
184.14172	4.1
209.11838	1.1
221.06642	0.9
227.03505	0.5
227.12866	11.2
228.13077	0.7
235.08220	2.1
255.03065	0.8
295.65012	0.5
369.10028	1.2
397.13501	8.3
397.51886	0.5
398.13904	0.8
415.14487	4.7
445.21036	0.5
607.26184	1.2
625.27124	100.0
626.27466	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56354	0.2
55.01757	1.1
57.03328	1.5
58.00476	1.3
59.01252	32.1
60.01556	0.3
67.59989	0.3
68.99688	0.3
69.03315	1.7
69.79957	1.6
71.01257	23.0
72.01602	0.3
72.99170	1.4
73.02818	4.0
75.00751	0.5
81.03331	0.8
83.01256	2.7
83.04919	0.6
85.02831	5.5
87.00758	3.8
89.02319	19.0
90.02659	0.4
91.03886	0.3
95.01247	1.6
97.02829	3.0
97.06469	0.9
98.19753	0.2
99.00747	1.8
99.04408	0.4
101.02325	16.5
102.02673	0.4
103.28868	0.3
109.02840	0.3
111.00780	0.5
111.04398	0.5
111.08060	1.3
111.15708	0.2
113.02334	8.4
115.03912	0.3
119.03400	4.6
121.02839	0.4
123.04430	0.3
125.02352	4.6
127.03919	0.3
131.03383	0.8
133.04921	0.4
139.03886	0.5
141.01830	0.4
143.03423	2.1
145.02821	0.5
149.04437	0.4
161.04448	2.2
163.03818	0.3
165.12767	12.9
166.13133	0.7
169.05002	0.4
179.05484	1.9
181.18170	0.2
183.13832	100.0
184.14168	6.5
185.04480	0.6
209.11781	1.5
217.07172	0.5
221.06609	1.6
227.12836	13.2
228.13228	0.9
235.08191	2.5
253.09280	0.8
255.02985	0.4
255.90295	0.3
263.07803	0.7
277.09283	0.3
284.03174	0.6
387.94070	0.3
397.13519	9.7
398.13809	0.8
415.14624	6.2
430.42880	0.4
445.21207	0.4
463.21661	0.4
607.25983	1.2
622.32733	0.3
625.27130	95.0
626.27441	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	625.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
71.57592	1.3
78.95770	2.1
83.70593	1.2
88.41045	1.0
92.65081	1.1
96.95882	4.0
134.06033	1.4
138.30975	1.3
152.99402	1.2
188.21405	1.2
213.10236	4.9
241.61388	1.5
277.21667	2.0
294.21381	1.4
299.13977	1.7
300.02841	1.7
342.12650	1.1
343.13013	1.3
398.15057	1.7
419.11224	1.4
420.16824	1.4
432.12433	2.5
433.12982	5.5
434.13812	3.0
447.14566	2.5
448.15439	12.8
449.16403	7.9
450.16638	1.3
463.17764	18.5
464.18469	3.8
477.19388	3.8
478.19946	2.3
479.20825	15.0
480.21060	2.4
491.17194	27.3
492.17490	6.0
503.16931	1.7
505.18961	4.3
506.19608	8.9
507.20395	3.6
519.20551	1.7
520.21509	3.4
523.19800	2.7
537.20569	1.4
538.22131	28.2
539.22882	6.8
593.24115	9.7
594.24585	1.6
625.26642	100.0
626.26880	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	625.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.1
64.52738	0.6
65.02744	0.7
73.02813	1.0
129.90901	0.8
134.05988	1.3
158.64816	0.7
213.10292	11.9
215.11833	1.5
230.03880	1.1
297.12589	1.0
299.14008	3.2
327.09961	1.2
328.10913	1.0
341.11758	1.4
342.12439	1.2
382.12033	0.8
385.14023	1.4
389.25888	0.9
398.14822	2.0
405.13483	1.1
418.10629	1.5
419.15536	1.3
420.16272	1.7
421.16760	1.0
432.12106	1.8
433.12677	6.0
434.13333	3.4
435.14038	1.1
435.19144	0.9
439.21255	1.1
447.14563	4.7
448.15375	14.2
449.16003	9.5
450.16574	1.9
461.11990	1.1
463.17728	22.5
464.18103	6.1
465.19229	2.1
475.13873	0.9
476.14587	1.1
477.19669	5.1
478.19955	3.0
479.20917	18.1
480.21140	4.2
490.16577	1.2
491.17212	36.5
492.17484	6.7
503.16779	0.8
505.18558	5.5
506.19571	9.3
506.73203	0.9
507.20197	4.9
519.20282	1.5
520.21124	2.9
523.19598	3.5
524.20184	2.0
525.25104	0.9
537.20929	1.4
538.22235	43.8
539.22736	14.3
540.23328	1.8
561.21857	0.8
593.23938	11.3
594.24438	1.3
625.26617	100.0
626.26971	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	625.1415
Annotation	8-Hydroxyluteolin 8-gentiobioside
Peak:m/z	Relative Intensity
56.21864	0.6
59.01255	0.8
63.02266	1.0
64.95653	0.5
65.00188	1.3
71.01265	0.5
71.26033	0.4
71.57806	0.6
82.96770	0.4
83.01250	1.1
88.21450	0.5
101.02358	0.4
107.01282	1.7
108.02063	1.7
109.02874	0.5
111.95409	0.4
121.02860	0.9
135.00790	0.9
144.37938	0.5
148.01563	1.0
151.00278	7.5
153.01897	0.7
163.00316	1.8
169.01381	1.0
178.99814	6.0
199.03935	1.6
209.11769	0.9
211.03960	0.8
215.03445	0.9
216.04343	0.6
226.02661	1.2
227.03453	2.8
227.12885	0.8
243.02956	10.3
244.03252	0.8
254.02155	1.8
255.02989	28.5
256.03317	2.1
271.02484	59.9
272.02930	6.2
273.04053	0.7
283.02542	0.5
299.01999	4.0
300.02753	100.0
301.03369	20.8
302.03790	1.3
450.49359	0.5
466.94296	0.5
505.09869	0.7
625.14087	47.9
626.14337	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	625.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	9.8
57.03326	9.4
58.00457	4.8
59.01251	92.6
60.01589	1.7
65.00185	1.5
68.99657	2.6
69.03325	4.1
71.01254	100.0
72.01579	4.7
72.99173	9.5
73.02823	21.0
75.00745	33.6
80.96374	2.3
81.03307	1.9
83.01250	15.5
83.04852	1.6
85.02823	56.7
85.99982	1.5
86.03131	1.7
87.00756	17.7
87.04389	2.2
87.12483	1.5
89.02322	26.7
93.03322	1.7
95.01274	11.6
97.02811	3.4
99.00760	25.2
101.02324	56.1
102.02635	4.6
103.03902	3.3
107.01262	3.6
111.00780	2.7
111.08028	3.9
113.02332	53.1
114.02685	1.8
115.00317	1.5
115.03909	1.9
117.01849	1.8
119.03376	6.2
119.04890	1.3
121.02820	3.2
122.03680	3.2
124.01483	1.6
125.02354	4.5
129.01823	6.0
131.03398	5.1
134.03633	2.2
134.05994	12.2
135.02896	2.0
135.04401	12.0
137.02324	2.1
138.05510	3.2
139.03848	1.3
143.03392	7.2
145.02832	4.2
147.02888	2.1
149.02330	6.9
150.03139	19.7
151.00279	14.3
159.02948	1.6
161.02356	1.8
161.04497	11.3
162.04704	1.9
163.06062	2.6
165.01820	2.1
165.03937	21.7
165.05470	18.3
165.12762	22.9
172.03812	1.6
175.02420	3.0
175.03862	2.3
179.05504	1.7
183.13828	66.5
184.14157	3.9
192.06580	5.3
195.06540	13.5
204.06537	3.3
205.05025	3.1
205.07082	3.6
207.04938	1.5
209.11717	2.9
225.00591	1.6
227.03510	3.1
227.12804	9.5
229.05011	2.1
249.06113	10.9
253.09265	1.9
255.02960	8.8
256.03583	1.9
267.07190	18.6
273.04092	1.9
283.02319	2.0
284.03238	8.0
287.05466	4.0
307.10788	4.2
311.13947	1.6
324.10059	1.4
339.08951	1.9
339.13394	16.0
367.12744	3.0
369.13535	5.0
397.13977	3.0
399.15710	7.4
415.14410	3.7
415.20013	2.7
416.75229	1.6
449.11050	1.6
459.18497	1.8
477.19745	75.5
478.20187	7.0
505.33646	1.8
506.19397	3.6
507.27499	1.7
517.18890	3.1
521.33228	8.5
543.78448	3.8
544.28668	1.8
545.14905	20.8
550.18353	6.5
582.21002	2.2
607.22266	2.5
615.79962	4.1
616.30524	1.5
624.30469	7.9
624.80872	50.8
625.22473	44.6
625.31036	10.5
625.81128	6.2
626.23584	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	623.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
55.40801	1.0
57.03311	4.5
59.01250	23.6
69.03332	2.7
69.97990	5.5
71.01256	27.8
72.99171	1.0
73.02831	6.0
73.26733	1.0
81.03314	1.5
83.01249	4.3
83.04896	3.6
84.07230	0.9
85.02821	8.7
85.99954	1.7
87.00761	9.2
89.02322	11.9
91.03887	1.4
91.84914	1.0
95.01267	3.2
95.04922	1.1
97.02835	1.5
97.06461	2.2
98.20505	1.5
99.00759	1.9
101.02324	19.0
107.04935	1.1
109.06454	3.2
111.08027	3.8
113.02339	10.6
119.03379	4.0
122.70828	1.0
125.02341	2.8
129.01765	1.4
131.03323	1.3
137.09581	3.0
143.03398	1.6
145.04993	5.7
161.04503	5.1
177.12733	1.5
179.05508	2.2
203.14308	2.3
205.15927	1.4
211.13298	2.0
213.14876	2.0
231.17484	2.6
235.08206	17.5
237.14801	2.1
239.16512	1.7
247.13232	1.3
249.14832	1.2
275.16504	3.3
277.18015	1.4
315.26868	3.7
325.25388	8.6
326.25497	1.4
341.24768	6.3
343.22656	1.8
343.26337	11.0
351.23392	3.1
359.25931	17.4
360.26199	1.9
369.24380	20.1
370.24539	2.7
377.26901	2.5
387.25424	75.5
388.25696	9.2
405.26462	69.0
405.31198	1.1
406.26724	7.2
479.29855	3.0
547.23529	3.2
595.34729	2.3
605.32751	2.1
623.25055	15.9
623.34265	100.0
624.25183	4.2
624.34564	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	623.3437
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
54.96873	0.7
55.01749	1.7
57.03313	3.3
58.00471	1.7
59.01253	27.3
60.01574	0.9
69.03328	1.7
71.01255	27.6
71.04906	1.2
72.99187	2.3
73.02826	6.9
81.03327	1.6
83.01262	4.1
83.04897	2.5
85.02826	8.7
85.06428	0.8
85.99957	2.1
87.00755	10.5
87.04389	1.1
89.02318	12.5
91.38482	0.8
95.01267	2.9
95.04879	1.7
97.02834	1.7
97.06489	1.8
99.00750	1.6
101.02324	15.7
106.04111	0.9
109.06476	3.3
111.00711	0.9
111.04395	0.8
111.08029	1.9
113.02335	9.8
119.03392	2.4
125.02326	2.7
128.31775	0.8
129.01816	1.1
133.04956	1.4
133.06494	0.9
135.08055	2.6
137.09610	3.8
139.11212	0.9
143.03366	1.7
145.04971	6.5
148.16705	0.6
153.09085	0.9
161.04486	5.4
161.09579	0.8
163.11215	1.0
165.12770	0.8
179.05495	2.6
187.05989	0.9
194.60931	0.7
203.14403	2.2
205.15892	0.9
211.13393	1.2
211.16833	0.9
213.14911	2.8
221.15500	1.0
231.17494	2.9
235.08220	16.8
235.16899	0.8
237.14960	1.9
237.18373	0.9
239.16528	4.4
241.18068	2.0
247.17056	1.2
253.09274	1.0
263.16428	1.0
265.18069	3.0
267.19681	1.1
271.20728	0.7
275.16583	3.3
275.19525	0.7
277.18091	2.3
278.18735	1.0
289.17828	0.8
313.25464	1.2
315.26935	5.2
317.28494	0.9
321.95624	1.0
325.25348	7.5
333.27975	1.5
335.08868	0.7
341.24838	4.5
342.25113	1.4
343.26434	9.0
344.26608	0.8
351.23267	4.2
352.16437	0.7
359.25958	15.1
360.26343	2.5
361.27386	2.7
366.29214	0.9
369.24347	21.2
370.24600	2.6
377.26883	2.0
387.25406	72.9
388.25702	9.2
405.26453	61.3
405.34311	1.0
406.26877	7.9
423.75436	1.1
447.27008	1.0
461.29175	1.1
479.30154	3.4
595.34644	2.0
623.34332	100.0
624.34686	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.0
56.02529	3.3
57.03329	9.9
59.01249	74.6
69.33005	36.1
71.01249	49.7
72.99197	4.6
73.02831	9.0
83.01262	7.4
85.02811	26.6
87.00740	7.7
89.02325	15.8
95.01302	6.2
97.06453	18.3
98.20569	7.6
99.00728	6.9
99.05544	3.5
101.02299	16.1
109.06455	4.5
110.06726	3.2
111.00809	3.4
113.02325	32.3
119.03391	4.5
119.04946	4.3
127.07520	6.9
128.03444	8.5
142.02774	3.6
143.03421	4.7
143.04546	9.4
143.10600	3.7
161.04469	10.0
171.06569	4.2
171.10103	3.8
175.03886	4.8
225.11226	9.9
227.03194	3.9
241.04884	5.5
254.07849	4.0
257.08359	6.9
259.19159	8.5
272.08896	4.9
306.07761	13.0
389.16077	6.3
391.23428	5.6
403.23264	6.5
421.24432	7.1
457.14185	4.9
517.65222	4.5
519.31726	100.0
519.39044	6.8
520.32001	16.3
537.32690	24.3
579.33960	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.2
57.88822	3.3
59.01250	90.1
69.43316	23.2
71.01250	53.6
71.04884	3.7
72.99194	6.3
73.02814	13.4
74.81548	2.8
75.00771	4.9
83.01239	8.4
85.02815	32.7
87.00722	3.8
87.19234	2.7
89.02310	17.9
95.01265	8.3
97.06457	19.7
98.19854	6.2
99.00764	8.9
101.02316	27.2
101.35786	3.6
113.02326	36.7
114.21738	2.8
119.03362	5.6
125.02319	6.1
127.07526	2.9
145.08615	4.3
159.03003	4.0
161.04500	15.4
173.40199	2.9
186.57399	3.0
197.12608	3.3
202.30376	3.0
229.17982	10.7
271.02591	6.2
284.03317	8.8
299.01971	6.1
299.05615	8.0
300.02795	5.9
314.04269	7.0
330.72247	3.2
373.22275	12.6
391.23346	27.3
392.23431	4.8
419.13098	3.5
501.30777	5.6
519.23853	4.9
519.31714	100.0
520.32068	16.5
537.32751	32.5
579.33789	12.3
623.15295	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84963	0.4
55.01757	0.5
57.03321	2.2
58.95372	0.4
59.01255	12.4
60.49717	0.4
61.98694	0.7
69.03344	2.5
69.50483	3.6
71.01259	6.2
72.99183	25.0
73.02827	2.3
75.00755	1.8
80.96388	0.7
82.89120	0.4
83.01252	1.2
85.02831	3.6
87.00748	1.1
89.02332	1.6
93.03339	0.8
95.01288	0.9
96.95853	0.7
97.02890	0.7
98.19854	0.8
99.00773	1.6
99.04369	0.5
101.02341	3.6
107.04926	0.5
111.00793	0.6
113.02336	6.6
117.03354	1.8
119.04921	100.0
120.01151	0.6
120.05245	3.1
121.02808	2.2
123.04394	0.5
125.02391	0.8
131.03404	1.4
139.11183	3.1
143.03395	0.5
145.02858	4.2
148.43987	0.5
161.04453	1.0
162.03148	1.4
163.03925	68.8
164.04230	2.5
175.07594	0.8
181.00328	0.4
183.10185	3.7
195.91064	0.4
207.10242	0.6
249.03134	0.4
249.06184	1.2
255.02748	0.6
267.07178	0.6
277.07175	2.0
307.08218	1.2
325.09232	1.3
373.26059	0.7
387.54044	0.4
391.23401	0.5
439.12479	19.9
440.12958	2.3
457.13519	30.3
458.13873	3.5
503.31903	0.7
551.27032	0.8
579.33734	1.5
597.63794	0.5
602.29834	1.6
602.79578	0.8
623.23511	16.3
623.32904	2.1
624.23383	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	623.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51191	5.8
51.89746	5.4
57.03328	10.6
59.01255	70.2
61.12683	5.0
67.19544	5.2
70.98720	12.2
71.01256	48.2
72.99179	18.4
73.02815	18.6
75.00758	34.8
85.02837	44.7
86.03156	9.0
87.00757	20.6
89.02337	17.3
95.01264	8.5
96.95911	6.4
99.00777	22.8
101.02338	15.3
103.78348	5.4
113.02343	66.2
114.02673	11.1
115.00352	5.8
117.01849	11.5
127.62599	5.4
137.02283	6.9
151.00266	6.9
152.27625	6.4
165.03926	6.5
165.53271	6.0
166.02634	12.0
167.02965	9.7
173.02435	6.3
175.03760	5.6
181.05019	26.8
182.05321	13.1
193.04987	9.7
233.86708	6.3
249.06108	31.1
250.06355	15.4
251.06740	19.8
255.03311	5.8
265.08322	6.7
267.07117	56.9
268.07474	47.2
269.07562	35.6
279.06525	8.2
303.22064	6.7
323.08896	6.8
340.08707	7.3
341.09985	7.6
353.10315	18.8
354.10620	27.8
355.10898	26.0
417.15552	22.1
418.15897	17.7
419.16196	30.7
495.12079	5.9
503.32166	9.2
519.31256	9.3
587.16357	7.9
593.17963	46.4
605.17810	98.1
605.26892	11.3
606.17902	12.4
623.18689	100.0
624.19476	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	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94152	0.2
52.55665	0.3
59.01240	1.5
63.02279	0.6
65.00191	0.9
70.34843	1.4
71.01250	0.5
83.01247	0.8
85.02808	0.4
92.97559	0.3
101.03877	0.4
107.01263	1.6
108.02084	0.6
122.84546	0.3
125.02391	0.4
128.89758	0.3
131.07968	0.3
137.02319	0.3
143.04976	0.3
145.02847	0.7
151.00279	6.6
152.01062	0.4
153.01906	0.5
155.04942	0.8
156.63493	0.4
157.02840	0.6
159.04378	0.5
163.00276	0.6
164.01134	0.4
169.01355	0.6
169.02850	0.3
171.04419	1.1
173.02434	0.3
175.03955	0.7
178.99783	0.5
183.04454	2.0
185.02309	0.3
187.03938	1.2
189.01895	0.4
189.05470	0.4
190.06310	0.6
192.00494	0.3
199.03935	8.7
200.04382	0.8
201.01849	1.0
203.03432	0.9
204.04308	0.5
205.08713	0.5
208.07292	0.5
211.03967	0.9
213.01868	0.5
215.03436	3.1
216.04114	0.4
219.06577	0.3
226.02599	0.7
227.03459	7.7
228.03905	0.4
229.01430	0.4
242.02184	4.3
243.02956	32.4
244.03464	2.6
254.02216	0.9
255.02975	15.9
256.03369	1.3
257.04507	4.0
259.06189	0.5
270.01688	4.9
271.02469	45.6
272.02985	5.2
284.03290	0.6
285.04037	6.8
286.04709	2.2
287.05569	1.2
295.26822	0.4
299.01968	54.8
300.02676	23.2
301.03247	1.5
313.03491	1.1
314.04315	45.3
315.05078	42.0
316.05466	3.4
339.07172	0.4
357.06213	1.6
389.16245	2.6
390.16159	0.5
391.83057	0.3
468.49905	0.3
519.31696	0.4
575.99005	0.3
623.16168	100.0
624.16541	16.1
624.27075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
50.77614	1.0
52.50792	1.1
53.31804	1.1
57.03309	2.3
59.01251	11.7
65.00201	1.6
69.39254	10.1
71.01258	6.2
73.02816	1.5
75.00738	1.7
84.29817	1.2
85.02802	4.5
87.00744	1.5
89.02319	2.8
93.03333	1.4
95.01247	1.1
96.95872	1.3
97.06462	1.4
98.20499	1.8
99.00787	1.1
101.02310	3.2
107.01271	3.3
113.02334	3.8
119.04861	1.1
120.45770	1.1
123.04404	1.5
128.03401	1.7
133.02850	1.9
137.02380	1.2
143.04588	1.0
145.02853	2.5
147.04309	1.3
149.02255	1.2
151.00275	7.0
155.04886	1.2
157.02922	1.5
159.04436	1.2
163.03883	1.6
165.98924	1.5
171.04416	3.1
175.03923	4.1
176.04733	1.3
177.95474	1.1
178.99759	3.6
180.04211	2.6
183.04428	2.0
187.03932	2.0
189.05457	1.4
190.06239	4.2
191.07030	2.9
193.05049	2.5
194.05823	1.7
199.03952	8.8
201.01903	1.9
205.08609	4.1
207.06651	1.4
208.07321	1.9
215.03427	7.7
227.03404	12.3
242.02191	9.3
243.02965	44.7
244.03363	4.6
255.02953	18.0
256.03473	2.1
257.04565	8.5
270.01660	8.9
271.02478	64.8
272.03082	5.3
284.03265	2.0
285.04044	15.7
286.04642	5.0
286.07599	1.2
287.01886	1.2
287.05594	1.7
299.01956	98.6
300.02670	22.8
301.03329	2.5
306.07745	2.6
313.03558	2.1
314.04300	100.0
315.05066	44.0
316.05505	2.5
389.16049	18.4
391.23441	1.7
419.13684	1.8
459.09167	1.3
491.52737	1.1
503.19321	1.9
519.31976	6.7
537.33124	1.5
623.16156	98.6
624.16492	17.4
633.41418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21671	1.6
52.94231	1.5
54.80832	1.7
56.52652	1.5
57.03330	2.4
59.01252	77.1
60.01577	1.9
61.98692	2.1
69.03361	1.7
70.35136	6.6
71.01255	15.2
73.02798	3.2
75.00735	5.4
80.04929	8.1
85.02822	7.6
87.00774	4.9
89.02329	9.3
89.50986	1.7
94.06544	2.0
95.01273	3.3
96.95889	7.4
99.00735	1.9
101.02312	10.2
104.04943	2.4
106.06492	9.9
108.04424	2.7
109.06467	2.1
113.01371	1.5
113.02331	5.3
119.03377	2.1
122.05989	3.9
125.02299	2.7
132.04404	1.9
134.06024	38.2
136.07600	5.0
143.03375	2.1
145.02820	2.2
146.06007	3.9
148.03946	2.6
148.07538	3.4
152.07072	6.9
158.06056	2.7
160.03879	4.7
161.04596	2.5
163.03934	2.0
173.04620	1.7
174.05550	4.7
175.03867	2.4
180.06537	7.2
188.07106	22.3
189.07477	2.4
189.67445	1.6
194.08299	2.8
195.13835	1.9
211.08740	3.9
223.08572	2.9
223.13376	14.2
224.09540	1.7
224.13670	8.3
225.10263	7.8
225.14900	3.1
227.11832	6.3
235.08533	3.3
237.10312	2.7
238.07297	3.0
239.11903	3.4
247.08531	1.8
249.06201	3.7
249.10445	4.0
250.84811	1.6
251.08235	3.1
251.11833	4.4
252.08922	4.6
253.09743	16.7
264.09094	2.5
265.09830	5.1
266.10434	2.2
267.07202	3.3
267.11417	5.9
268.03732	3.5
269.03979	4.7
276.61914	1.9
277.09857	12.0
278.10443	4.1
279.07751	6.9
279.11389	6.7
283.06076	5.1
284.03442	1.9
284.06458	5.3
289.09985	2.3
291.07834	2.0
292.08313	4.0
293.09296	7.3
294.09998	5.5
295.10864	40.8
305.09259	3.7
306.09894	3.1
307.10883	26.3
321.08810	3.5
321.12170	1.9
339.09851	2.2
372.17090	3.0
374.18546	2.4
397.13660	8.5
398.13980	6.9
400.16629	3.8
414.18362	5.3
415.14575	3.2
416.14886	3.1
442.17706	34.9
443.11838	2.9
443.18021	7.3
460.18790	7.6
474.19998	2.6
486.16751	9.5
502.19824	100.0
503.19977	15.3
504.17368	3.4
505.26413	1.7
518.19629	2.4
536.19598	2.3
546.18823	93.3
547.19196	15.1
578.21637	9.6
578.31787	2.3
579.33301	4.9
622.33337	2.4
623.33508	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	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.1
57.03318	3.5
58.00466	2.4
59.01253	100.0
60.01580	1.1
68.99705	0.7
69.03332	1.4
69.52239	2.0
69.52669	3.4
71.01257	64.3
72.99194	3.9
73.02825	12.4
75.00764	2.5
79.94153	0.7
81.03349	0.8
83.01263	8.9
85.02826	26.4
85.99976	0.6
87.00761	7.0
87.04406	2.5
89.02322	34.5
93.60345	0.6
95.01267	7.3
96.95906	1.8
97.02827	2.2
99.00771	7.1
101.02327	39.5
101.06034	0.9
102.02688	1.0
102.88116	0.7
109.61436	0.6
111.00793	1.4
112.01531	0.8
112.98728	1.3
113.02335	35.8
114.02734	1.1
115.00275	0.8
115.03891	0.7
115.45349	0.6
119.03391	14.8
124.01586	1.8
125.02341	10.0
127.22233	0.7
129.01863	2.2
131.03455	1.8
142.99837	1.1
143.03415	8.4
149.04517	0.8
151.00316	1.5
159.02948	2.7
161.04463	14.9
166.02638	2.2
174.01578	4.7
175.02443	1.0
179.05531	5.4
181.04967	3.2
183.13943	0.8
211.13342	8.3
249.06168	0.9
253.09177	1.4
255.10396	1.1
255.19707	0.9
267.07156	0.9
309.07651	1.1
311.69235	0.7
357.13596	1.2
387.10736	1.0
399.23828	9.6
400.24319	1.1
417.15796	7.1
417.24875	14.1
417.30090	1.1
418.25629	1.8
447.22430	1.0
459.26428	0.9
487.25604	1.0
525.27386	1.2
561.21436	1.1
561.29156	69.5
562.29431	9.7
579.30249	69.9
580.30548	12.4
599.60516	0.7
621.31494	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	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.4
57.03330	4.3
58.00489	2.1
59.01253	100.0
68.99694	1.0
69.03312	1.8
71.01256	64.0
71.57749	0.8
71.58115	1.3
72.01595	1.1
72.28818	1.0
72.99178	5.0
73.02824	16.1
75.00748	2.4
75.18739	0.8
79.23853	0.8
79.57212	0.9
83.01261	10.4
85.02825	29.0
85.99953	0.9
87.00745	6.8
87.04397	2.4
89.02322	31.6
95.01273	5.0
96.95892	2.1
97.02838	1.8
99.00761	8.1
101.02327	33.3
102.02696	1.2
111.00784	3.0
112.01585	1.4
112.98708	1.4
113.02336	33.9
114.02648	1.1
119.03406	11.4
119.04919	1.0
124.01553	1.4
125.02318	4.5
129.01836	3.4
131.03403	1.3
137.02388	2.4
142.99768	1.1
143.03427	5.3
145.02914	1.4
151.00293	4.1
159.02901	4.0
160.53827	0.8
161.04460	13.6
166.02628	7.4
174.01599	3.4
179.05528	2.3
181.04988	11.6
211.13313	7.1
249.06047	0.9
253.04993	1.1
253.09212	1.3
260.43796	1.0
267.07202	1.7
282.05493	1.0
284.03278	1.3
297.07867	1.6
387.10931	2.4
399.23950	14.8
400.24081	1.2
402.13254	1.9
417.15588	15.5
417.24731	11.1
418.15717	2.9
418.25092	1.7
447.22192	1.5
499.34708	1.0
501.00723	1.1
549.25812	1.7
561.29163	87.4
562.29462	11.7
579.30243	71.2
580.30615	9.4
621.31116	9.0
622.31934	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	621.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
70.17690	1.7
90.06650	0.6
105.04743	0.6
108.08092	0.7
117.93436	0.7
120.23542	0.6
125.54586	0.6
203.89864	0.7
211.86032	0.6
431.14584	1.2
445.16586	2.9
446.17334	2.9
456.52023	0.7
459.22028	4.5
460.18835	9.9
461.19830	27.9
462.20157	4.9
474.20547	1.5
475.21240	4.2
476.21152	1.2
519.20416	15.2
520.20416	3.4
533.22668	1.1
621.27179	100.0
622.27521	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	621.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56287	0.6
71.05572	1.5
79.57079	0.5
103.72569	0.5
195.90506	0.5
197.18388	0.6
339.24109	0.5
407.60593	0.6
417.17514	0.8
431.15186	0.9
442.17697	0.6
445.16818	3.7
446.17386	3.1
459.22287	3.8
460.18936	11.0
461.19809	31.6
462.20157	5.2
474.20514	1.7
475.21490	5.5
476.21887	1.1
505.18915	0.7
519.20337	15.9
520.20789	4.6
533.21808	1.3
609.99731	0.6
621.27185	100.0
622.27509	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	621.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.6
59.01254	76.4
59.50397	2.5
65.94933	2.2
69.55090	22.1
71.01260	20.8
72.99177	12.0
73.02815	3.6
75.00740	6.7
83.01248	4.9
85.02825	11.7
87.00758	9.6
89.02315	10.4
96.95885	12.6
97.61687	2.5
98.02312	2.7
98.95445	3.0
99.00758	11.3
101.02335	8.0
112.98693	18.1
113.02336	13.1
115.00254	7.7
119.04921	9.7
124.94949	2.5
129.01770	3.5
142.99745	18.4
145.02835	2.4
151.03900	3.1
154.99707	3.6
156.00526	3.6
173.00827	9.9
174.01611	47.2
175.02390	20.3
183.13853	5.5
189.66959	2.5
193.12277	3.4
200.00667	2.4
211.13347	100.0
212.13641	3.0
216.09126	3.0
223.13382	9.6
237.14801	2.8
253.09239	21.6
255.02986	5.0
263.12930	4.6
267.07239	15.9
284.03177	5.3
285.03937	3.3
309.07651	3.6
327.12296	10.5
339.12323	9.7
353.10272	6.2
407.30884	2.6
447.22348	12.7
499.21710	4.0
503.21371	8.6
538.13269	3.1
543.20709	7.1
561.21448	4.1
577.19922	3.0
591.22888	7.4
603.16498	5.1
621.24164	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	621.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.9
57.03314	5.6
59.01252	73.6
60.34628	3.3
69.26357	34.2
69.26768	4.8
71.01254	39.3
72.99176	13.3
73.02820	10.8
75.00736	13.6
76.55334	3.0
78.95809	3.5
80.48697	3.1
83.01260	6.4
83.02353	4.4
83.04888	3.1
85.02828	23.3
85.35228	3.1
87.00759	14.8
89.02308	14.9
96.95887	44.0
97.02844	3.5
99.00742	15.6
101.02321	18.9
111.00749	4.1
112.98680	15.6
113.02345	20.8
115.00253	11.6
119.03386	5.6
119.04893	14.8
129.01819	5.3
134.03658	3.4
142.99760	24.3
143.03419	5.0
145.02925	6.2
154.99750	3.3
161.04556	3.3
163.03889	5.0
165.03966	6.0
167.03334	3.3
173.00856	6.1
174.01607	54.0
175.02386	19.2
176.60754	3.4
177.05392	3.7
183.13820	9.5
192.96007	3.7
211.13322	100.0
212.13695	6.8
223.13319	5.9
227.03462	8.9
237.11098	4.2
249.06137	9.1
253.09293	20.8
255.03038	17.5
258.51608	3.4
263.12894	6.6
267.07214	12.8
271.02444	5.3
284.03253	16.9
285.03888	5.8
300.02643	6.9
309.07956	4.4
363.23160	3.8
447.22354	13.7
503.21225	6.2
539.64648	7.4
541.15344	3.8
543.20776	4.6
621.31793	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	621.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.3
57.03330	3.9
57.21131	1.2
58.00468	4.8
59.01254	100.0
60.99028	1.2
69.03307	2.1
69.39290	9.1
69.39698	3.0
71.01256	58.4
72.99178	11.8
73.02824	11.1
75.00753	15.6
83.01255	9.4
85.02827	22.6
85.40104	1.2
87.00766	8.7
87.04402	1.5
89.02324	41.4
95.01270	5.6
96.95894	12.6
97.02825	2.3
97.16750	1.3
99.00774	7.4
101.02323	36.0
111.00758	2.0
112.98694	7.5
113.02333	31.8
115.00265	7.2
119.03405	16.8
125.02347	7.1
129.01865	1.9
131.03397	1.9
134.03596	1.6
135.02893	45.5
136.01649	2.6
137.02400	1.4
140.98074	1.3
142.99792	12.6
143.03404	5.8
145.02850	1.4
147.08061	1.5
151.03943	6.2
161.04463	9.7
173.00864	4.4
174.01628	34.3
175.02429	11.3
177.12762	1.3
179.05579	7.6
183.13823	3.1
201.11325	1.4
211.13350	69.0
212.13669	3.0
223.13322	3.5
227.03436	1.8
235.08368	1.3
237.14990	1.9
249.14980	1.2
251.13083	1.3
253.09262	13.8
255.02930	2.9
255.19698	1.5
263.12943	5.1
267.06876	3.7
284.03360	3.0
357.13498	6.5
399.23883	5.4
417.24899	5.6
447.22333	9.4
457.12912	1.6
503.21252	4.0
535.27686	2.8
543.20972	2.6
561.20807	1.7
561.29156	28.4
561.37549	2.1
562.29382	3.6
579.30261	37.4
580.30713	5.5
621.22412	1.7
621.31799	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	621.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09082	1.3
55.67818	1.4
57.03322	4.2
59.01253	66.3
61.88339	1.4
69.67125	8.5
71.01256	40.4
72.99179	12.7
73.02840	6.0
75.00734	7.8
83.01265	6.0
83.04894	1.5
85.02837	12.9
87.00761	9.0
89.02320	27.0
95.01274	3.1
96.95899	5.4
97.02847	2.5
98.19886	3.0
99.00771	9.4
101.02328	17.7
104.59836	1.5
109.19868	1.4
111.00816	3.4
112.98693	15.6
113.02342	18.8
115.00251	12.0
119.03432	7.4
124.01567	1.4
124.98682	2.3
125.02343	3.1
129.01797	1.7
131.03375	1.9
135.02899	12.8
136.01569	12.5
137.02307	2.0
142.99756	18.0
143.03392	2.4
151.03934	20.4
159.02873	1.7
161.04483	6.0
173.00781	7.5
174.01622	52.0
175.02419	13.8
179.05557	4.7
183.13846	5.7
188.07150	1.5
188.16252	1.5
205.12273	1.8
211.13347	100.0
212.13686	6.3
223.13303	7.2
225.14899	1.8
227.03432	1.6
237.14864	3.7
249.06201	1.9
251.12817	3.2
253.09229	21.9
253.14517	1.8
255.02942	4.3
263.12921	4.5
267.06934	2.0
281.08453	1.8
283.02429	2.0
284.03226	5.4
287.22305	3.4
317.11105	1.5
342.11115	3.4
357.13452	31.0
358.13983	3.3
369.10156	6.3
399.24036	2.8
417.15884	2.4
417.24878	2.8
447.22366	13.5
503.21396	5.7
504.21344	3.0
521.22412	2.0
543.20752	5.8
561.21747	3.5
561.29150	15.4
579.30273	21.1
580.30280	2.1
603.23065	2.8
621.23206	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	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85459	2.0
53.50679	1.7
57.03321	5.7
59.01257	82.6
59.76931	1.9
69.03319	1.7
71.01261	49.5
71.40374	1.7
71.58363	2.3
72.99199	12.5
73.02817	9.1
75.00732	6.3
83.01269	5.9
85.02835	12.2
87.00756	6.7
89.02329	22.7
95.01261	2.5
96.95911	2.9
99.00764	12.3
101.02343	20.9
111.00783	3.7
112.98711	16.3
113.02336	18.9
115.00269	12.6
119.03429	8.2
121.02885	3.7
125.02358	5.4
129.01791	2.8
135.02893	4.2
136.01570	38.3
137.02368	2.8
142.99803	17.6
143.03386	4.4
151.03935	50.1
156.00572	2.3
159.02803	2.1
161.04488	10.4
163.03900	2.9
173.00838	7.3
174.01636	43.8
175.02419	15.5
175.03821	3.4
177.05534	2.3
179.05542	2.9
183.13841	4.4
211.13359	100.0
212.13657	6.3
223.13358	7.5
227.03496	2.2
234.89319	1.8
237.15028	2.5
249.55374	2.1
253.09274	19.5
255.02980	6.3
263.12927	4.0
267.06812	5.1
284.03329	4.8
285.03870	2.8
287.22067	2.2
296.10480	3.0
297.11353	4.9
327.12433	5.1
342.11050	4.5
357.13464	81.2
358.13916	6.1
369.10132	3.7
399.23764	4.4
417.25018	5.4
447.22476	11.9
502.19635	2.7
503.21326	7.4
504.20981	7.9
517.22498	2.4
543.20288	4.8
548.16174	2.1
561.21783	3.5
561.29266	23.7
579.30396	19.2
580.31146	2.2
603.23096	3.0
621.32074	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	621.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57932	0.8
53.32415	0.7
57.03342	1.0
59.01255	8.7
69.03342	0.9
69.47609	6.8
71.01254	7.2
73.02822	1.1
75.00761	2.7
85.02843	4.4
87.00793	1.1
89.02341	2.2
93.03342	0.8
95.01279	1.7
99.00760	1.5
101.02328	2.1
109.02853	3.1
110.10007	0.7
111.64532	0.8
113.02309	4.5
113.04257	0.8
123.00781	3.5
125.02352	0.8
128.83247	0.8
133.02948	0.8
137.02338	14.3
138.02896	0.9
139.03931	1.2
149.02379	1.5
150.02922	0.8
151.00285	30.8
151.03940	2.6
152.00980	2.5
152.04716	2.5
165.01810	1.6
166.02634	84.7
167.03294	4.9
175.03902	1.5
177.01834	4.7
181.04996	100.0
182.05365	4.6
184.03702	1.9
190.06331	1.7
191.03436	1.5
192.04201	1.5
193.04944	1.5
194.05959	0.8
205.08574	1.2
207.06546	1.2
209.04626	1.0
211.13329	4.2
249.06081	1.5
267.07202	4.8
279.06613	0.9
310.79251	0.8
338.08035	1.0
341.10355	0.8
353.10181	2.0
359.11569	1.3
365.02899	0.8
387.10849	19.9
387.15588	1.3
388.11340	1.7
402.13272	9.5
403.13660	1.0
417.15555	93.7
418.15961	12.2
422.47699	1.0
439.94702	0.8
561.29175	2.6
579.30573	2.6
589.87769	0.9
591.17371	2.0
603.16864	2.5
621.18030	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	621.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.2
58.00480	1.5
58.47838	1.3
59.01256	42.2
60.16849	1.3
65.40208	1.3
71.01257	21.3
71.58714	2.2
72.99182	9.5
73.02827	4.3
75.00748	25.9
75.39083	1.3
78.95793	1.8
81.03360	1.2
82.08042	1.2
83.01257	2.6
85.02834	27.6
87.00757	9.3
89.02340	5.8
95.01257	7.2
96.95917	1.4
99.00759	13.8
101.02325	3.0
103.00255	3.2
113.02335	23.0
115.00266	2.7
117.01799	2.6
121.02852	100.0
122.03143	2.4
129.01852	2.5
161.09705	2.1
171.10194	3.9
175.02425	4.0
189.09064	2.7
193.03500	3.9
205.12387	4.3
231.05019	2.9
249.06152	15.4
353.09039	3.2
371.09842	95.0
372.10196	5.0
432.07474	1.4
445.18683	2.2
468.20990	1.3
522.66620	1.4
559.21234	1.7
561.19928	3.7
603.21033	2.4
621.21967	88.7
621.32117	5.5
622.22058	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	621.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03316	4.5
59.01253	33.2
67.01752	1.3
68.99715	1.1
69.86839	1.1
71.00870	0.7
71.01250	20.7
72.99185	7.8
73.02818	4.5
75.00742	22.8
83.01232	1.3
85.02824	27.8
87.00761	9.4
89.02328	8.2
95.01257	6.8
96.95912	1.5
97.02781	1.5
98.20590	2.5
99.00755	12.0
101.02305	2.9
103.00244	3.7
107.04901	1.1
113.02334	29.6
115.00243	3.5
117.01785	3.6
121.02849	99.3
122.03185	2.7
129.01854	1.8
131.03372	1.5
157.01286	1.9
161.09637	2.6
163.11197	1.3
175.02402	4.6
180.45619	1.2
182.50156	1.2
187.11195	3.2
193.03456	3.6
205.12302	1.4
223.13278	2.2
225.13696	1.2
230.27744	1.4
231.05067	4.0
249.06157	14.8
291.98749	1.1
353.08746	3.7
371.09827	100.0
372.10220	9.2
389.99875	1.2
559.21661	2.0
561.19678	2.0
577.31000	1.9
603.20532	3.6
621.21906	88.3
622.22125	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	619.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01249	16.3
61.98700	2.1
65.03824	2.8
66.59097	0.8
69.45844	7.3
71.01254	13.9
72.99197	2.5
73.02822	2.8
78.95778	3.4
83.01257	2.0
85.02803	5.0
87.00757	4.3
89.02312	7.0
91.05418	1.7
95.04916	1.0
97.06472	2.8
98.19738	1.0
99.00736	1.1
101.02325	10.7
103.05412	2.7
105.06948	1.9
108.77244	0.8
113.02316	3.9
115.05392	1.8
119.03447	1.2
119.08517	1.2
123.08054	1.7
125.09595	11.7
129.06931	1.0
133.04913	0.9
133.10147	1.4
135.08015	0.9
135.24515	0.9
142.51007	0.9
145.04979	1.7
152.99513	2.0
159.11708	1.0
161.04465	2.1
171.10159	3.3
187.09715	2.1
187.14854	9.1
195.11771	1.0
213.12779	9.5
227.14409	3.6
231.13864	31.5
232.14224	2.2
235.08192	2.3
273.14972	1.3
274.69754	1.0
285.14865	1.1
330.54871	1.0
339.23239	1.6
358.41586	1.3
365.21121	2.8
365.26175	0.9
383.22244	23.0
384.22775	2.4
401.23325	11.6
402.23483	2.3
459.27759	2.0
607.14258	1.0
619.31195	100.0
620.31573	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	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28543	2.4
57.03307	5.7
59.01255	26.9
68.99694	4.0
69.29008	32.7
71.01253	34.1
72.99192	12.9
73.02804	5.0
75.00745	22.5
85.02818	30.8
87.00758	11.8
89.02325	11.8
95.01241	3.3
99.00762	17.2
103.89004	2.6
109.02866	3.6
111.00826	4.0
112.48814	2.6
113.02336	41.3
117.01819	2.8
121.02840	2.7
129.01871	3.8
137.02364	6.9
147.04399	3.5
151.00284	13.4
166.02641	38.5
174.01643	2.6
174.03152	8.1
175.02306	4.1
181.04991	49.0
189.16699	2.6
202.02524	4.4
223.07571	3.1
237.05452	4.1
249.06097	39.9
251.07112	7.6
252.07715	2.9
263.07129	4.7
264.07916	3.4
267.07162	100.0
268.07324	3.9
279.06729	10.4
279.10278	5.9
282.08990	4.7
294.05402	3.3
294.08914	5.7
295.06140	4.0
297.11383	3.8
308.06851	3.6
309.07477	6.2
322.08441	3.8
323.05511	8.3
323.09213	9.2
338.08023	8.2
339.08459	6.6
341.10223	6.2
353.10272	55.2
354.10852	3.7
387.10797	9.6
402.13257	4.8
403.87473	2.9
413.12808	4.2
417.15527	73.5
418.15839	8.2
427.14075	5.0
480.91397	3.2
485.13208	9.7
571.14697	4.2
573.16388	4.1
585.16443	6.1
591.17249	41.3
592.17664	5.6
603.17102	62.9
604.17371	10.9
621.18243	64.4
621.28119	4.6
622.18988	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	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.11565	0.8
77.37871	1.0
78.95744	0.8
79.42282	0.8
99.08448	0.8
111.40831	0.8
137.55711	0.9
175.34392	0.9
197.96577	0.8
331.92307	1.0
335.57660	1.1
401.13956	1.4
415.15552	3.4
416.16391	9.6
417.16898	2.1
429.17130	1.6
430.18057	3.4
431.18765	1.6
458.17007	1.3
459.18246	100.0
460.18607	16.3
472.18423	1.1
473.19812	13.9
474.20624	5.5
485.16241	1.0
500.18387	1.0
501.19458	1.8
503.17023	3.0
517.18982	1.5
518.11780	2.0
518.19574	44.4
519.19775	6.3
532.21100	8.2
533.21924	90.6
534.22314	14.7
549.78375	0.9
571.39624	1.0
587.22717	6.4
619.25604	54.0
620.25836	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	619.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.1
57.03313	2.1
58.71270	0.6
59.01256	14.2
65.03831	2.2
69.70662	4.8
69.96402	0.6
71.01256	11.6
72.99184	1.4
73.02814	2.6
75.00721	0.7
78.56068	0.6
78.95763	1.5
83.01249	1.7
85.02820	4.3
87.00743	3.2
89.02324	5.0
91.05400	1.8
95.01241	0.7
97.06474	2.8
99.00759	0.9
101.01807	0.7
101.02336	8.3
102.04607	1.4
103.05404	2.1
105.06988	0.8
109.06460	1.1
111.08031	1.2
113.02338	4.6
115.05398	1.9
117.06979	1.6
119.03397	0.9
123.08009	1.9
125.09611	13.5
133.10147	1.6
135.08031	1.0
145.04958	1.8
149.22127	0.7
154.02364	0.7
157.10095	1.3
161.04404	1.8
171.10193	1.4
171.11646	0.8
187.09683	3.0
187.14848	7.2
195.11678	1.4
209.11681	0.9
211.13232	0.7
213.12793	12.2
214.13184	1.0
226.74739	0.7
227.14297	1.7
228.15137	0.9
231.13867	22.7
232.14186	1.9
233.23650	0.8
235.08270	3.8
235.13565	0.6
261.14984	0.6
272.14172	0.7
273.14905	1.0
339.23224	1.2
357.24182	1.0
365.21179	2.4
383.17371	1.2
383.22302	20.9
384.22620	1.8
401.23300	11.0
402.23782	1.3
405.17499	3.5
459.27176	1.3
619.31207	100.0
620.31586	15.5
626.68427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67495	0.6
55.01754	1.0
57.03336	3.3
57.03563	0.6
58.00438	0.8
59.01249	15.4
61.82946	0.7
67.01773	0.7
68.99696	0.6
69.40796	5.4
71.01255	16.2
72.81924	0.6
72.99187	4.0
73.02827	1.2
75.00749	11.7
80.85282	0.6
81.03373	0.7
83.01271	1.2
85.02823	18.1
87.00746	6.4
89.02324	5.9
89.03806	1.5
95.01261	4.3
96.95895	1.2
99.00755	9.2
101.02319	1.7
103.00228	2.0
105.03334	1.0
113.02333	23.9
114.02639	0.9
115.00262	1.6
117.01805	1.7
117.03369	4.8
119.04919	0.7
128.71187	0.7
129.01848	1.3
132.02042	3.9
133.02872	5.7
134.03633	65.6
135.04292	2.9
139.00238	0.9
149.05974	6.3
157.01335	0.9
160.01581	16.5
161.02364	4.5
173.48532	0.7
175.02406	2.4
175.03894	16.4
177.01791	0.9
178.02643	1.7
179.03371	2.7
192.89375	0.7
193.03621	1.6
193.04991	38.9
194.05327	1.9
207.04942	1.3
222.14317	0.6
227.03499	1.0
231.04985	0.9
242.60678	0.6
249.06097	12.3
267.07159	43.1
268.07623	2.0
283.02390	0.7
284.03088	1.1
363.10699	0.9
366.09427	1.2
381.12097	4.1
407.92120	0.7
425.10825	8.3
426.11127	1.1
443.11938	100.0
444.12225	10.6
486.34973	0.7
574.32703	0.7
601.15759	0.7
617.99719	0.7
618.34845	1.0
619.16711	23.1
620.17029	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	619.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59130	2.2
53.85703	2.2
55.01778	2.7
57.03312	7.1
58.00444	2.3
59.01252	74.2
61.36181	2.1
69.52808	21.0
71.00887	4.8
71.01257	48.8
72.99181	14.0
73.02817	9.2
75.00751	21.9
83.01276	4.9
85.02827	36.3
87.00759	10.5
88.03883	2.6
89.02324	18.0
95.01276	7.3
96.95888	39.3
99.00761	14.9
101.02343	14.9
101.78255	2.6
103.00253	4.6
113.02334	43.9
115.00256	3.7
117.01841	2.6
117.03346	11.5
119.04916	24.8
121.02823	6.3
125.02317	3.9
129.01801	3.0
135.02908	4.3
145.02858	40.3
149.02357	36.5
149.04459	3.1
150.03099	3.4
156.19768	2.4
160.03957	3.4
161.04448	3.1
163.03923	27.0
164.04732	28.6
175.02412	6.0
185.11792	4.5
190.02724	5.6
205.04932	6.0
209.04480	3.8
223.06081	20.9
249.06175	18.9
255.02971	3.0
261.07379	3.1
267.04370	5.3
267.07217	71.0
268.07578	5.2
284.03311	4.4
351.10803	2.6
395.09836	7.5
411.13083	4.0
413.10928	38.7
463.83115	2.7
471.25858	3.3
473.13025	100.0
474.13351	9.3
517.26349	10.8
535.27814	5.6
618.34705	7.9
619.16418	19.5
619.26239	3.3
619.35242	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.406
Annotation	Momordicoside F2
Peak:m/z	Relative Intensity
55.01767	1.8
57.03326	5.3
59.01252	2.7
67.01755	0.9
67.72292	0.3
68.99699	0.7
69.03297	0.4
71.01257	5.2
72.99178	2.7
73.02831	0.8
75.00749	34.8
78.95802	0.7
83.01256	2.0
85.02827	26.8
85.99950	0.5
86.03172	0.4
87.00742	1.3
89.02317	0.5
95.01273	3.4
96.95885	0.5
97.02852	0.5
98.20556	1.1
99.00777	2.3
101.02325	0.5
111.00709	0.3
112.01524	1.5
113.02338	11.2
115.00252	1.0
116.01021	0.4
117.01807	0.6
129.01849	0.8
152.99529	0.4
157.01331	1.3
168.50035	0.3
175.02414	1.1
249.47888	0.4
439.35950	1.0
506.06439	0.4
599.39746	1.0
617.40582	100.0
618.40887	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	618.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03309	2.9
58.00464	1.2
59.01252	53.5
61.98692	1.9
68.37242	1.0
69.03316	1.1
69.35929	9.0
71.01254	31.6
71.04876	2.6
72.99180	2.2
73.02826	4.7
73.03158	0.9
75.00737	4.2
82.15178	0.9
83.01246	3.3
83.04875	1.7
85.02815	7.8
87.00743	3.0
88.57166	1.1
89.02321	10.2
95.01264	2.2
95.37166	0.9
95.99834	0.8
96.95898	5.3
97.06464	1.4
99.00764	3.2
101.02314	12.2
109.83104	1.0
111.00737	1.1
113.02337	11.5
113.05944	1.4
117.01788	1.2
117.03375	0.9
119.03384	4.2
119.04904	0.9
120.01149	1.0
125.02288	1.3
131.07021	3.6
135.02888	2.5
135.04401	1.4
145.02977	1.1
151.00317	1.2
151.28522	1.2
160.03972	2.2
161.04456	3.1
165.12746	3.6
167.10663	1.1
170.82164	0.9
171.10158	1.7
175.02396	1.3
182.15718	0.9
183.13869	8.6
185.10208	1.8
185.11749	22.2
208.13376	2.8
209.11716	1.6
210.14886	1.5
224.16435	1.6
226.14488	1.3
226.18054	2.1
227.03395	2.0
227.12877	3.4
228.15952	4.8
228.36276	1.0
249.06284	2.4
255.02985	5.5
267.07211	2.0
268.07477	1.3
275.11313	1.3
284.03204	4.7
285.03809	1.8
288.18158	1.6
305.16080	1.8
342.22614	2.3
347.17056	5.6
438.28784	1.2
504.49127	1.1
511.47931	1.1
518.19281	1.3
525.23608	1.0
559.28809	1.3
600.34192	4.5
601.34222	1.2
618.34937	100.0
619.35693	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	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.2
58.00459	1.7
59.01254	46.0
61.98706	1.9
70.63783	2.7
71.01257	41.9
72.65244	1.1
72.99193	4.4
73.02843	1.6
73.96600	0.9
79.18438	1.0
83.01279	2.3
85.02832	8.9
87.00758	9.6
89.02322	45.1
95.01220	1.2
101.02325	20.8
113.02339	16.3
119.03403	17.0
119.04831	1.1
125.02387	1.1
131.03404	3.3
143.03423	5.8
145.02782	1.3
149.04463	1.9
161.04475	6.6
171.10182	5.3
179.05551	16.2
183.13852	2.3
190.62538	1.1
195.13861	8.5
203.88995	1.0
209.11844	1.0
223.13350	5.1
225.14908	2.6
228.13358	1.0
256.13147	1.8
275.20187	3.3
293.21243	100.0
294.21591	8.7
317.21188	3.0
323.09824	4.4
329.21277	1.1
335.22363	1.0
341.10867	36.7
342.11172	2.3
427.97229	1.0
580.23633	1.6
581.20093	1.1
617.31628	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	615.3905
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester hexadecanoic acid
Peak:m/z	Relative Intensity
55.01747	2.1
57.03332	5.4
57.59500	0.6
59.01246	3.0
68.99689	1.2
69.52864	0.6
71.01258	4.1
72.99168	2.3
75.00749	32.7
78.03932	0.7
83.01255	1.0
85.02827	27.5
87.00761	1.9
91.95241	0.6
94.21485	0.6
95.01282	2.2
97.02773	0.6
97.61671	0.6
97.62321	0.6
99.00766	1.9
101.02320	1.9
112.01570	1.2
113.02338	13.9
115.00265	1.0
117.01782	1.1
129.01782	1.1
129.45160	0.7
157.01382	1.3
171.10172	2.1
175.02412	1.2
202.28250	0.7
209.00514	0.7
260.22769	0.7
288.81973	0.6
351.15244	0.6
494.33157	0.8
615.39038	100.0
616.39459	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	616.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40882	0.3
70.10152	1.4
71.21757	0.3
75.56797	0.2
76.57723	0.3
78.41288	0.2
78.95785	2.3
79.95602	2.4
88.98672	0.6
91.87115	0.3
96.95892	100.0
96.96895	2.7
135.57982	0.2
135.92041	0.3
152.99533	0.3
171.10117	0.6
189.72368	0.3
217.84792	0.3
257.33713	0.3
307.10434	0.3
450.54745	0.3
551.89172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.318
Annotation	Guangomide A
Peak:m/z	Relative Intensity
54.09673	0.6
57.03341	0.6
59.01254	7.1
69.85834	0.5
70.87717	1.7
71.01257	5.8
72.99181	0.7
73.02829	1.9
75.00727	0.9
78.05254	0.5
78.95812	0.8
83.01260	1.1
85.02834	2.3
87.00739	1.1
88.98685	2.4
89.02322	4.2
90.67532	0.5
95.40272	0.5
97.06502	0.8
99.00739	0.8
101.02313	5.1
102.42343	0.6
111.08038	0.9
113.02346	3.0
119.03413	0.8
125.09599	1.7
127.11205	2.4
133.05013	0.5
143.03429	0.8
145.04915	0.7
152.99591	0.6
153.09064	0.8
161.04480	1.9
164.93721	0.6
165.12766	8.6
171.10188	100.0
172.10533	4.6
176.49269	0.6
179.05559	0.7
183.13837	87.7
184.14160	5.3
209.11716	4.8
210.97128	0.6
211.13330	1.5
227.12848	7.6
235.08228	4.0
253.09265	7.2
354.97220	0.6
407.19241	2.1
439.51648	0.6
445.20764	2.8
463.21875	5.7
500.30356	0.7
516.74341	0.7
617.31708	55.2
618.31970	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	614.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60265	2.5
55.49264	2.8
58.02837	6.3
59.01254	21.3
61.98715	3.0
71.01258	9.9
72.99197	4.4
73.02830	3.4
74.02357	17.0
75.00764	3.5
78.13500	2.7
82.02896	3.9
85.02834	10.9
86.02372	6.4
87.05500	3.4
89.28716	3.0
96.95876	3.2
97.02846	3.9
99.00737	6.5
99.05534	14.6
101.02334	5.8
109.03988	3.0
125.02322	2.9
128.03424	40.9
135.05548	4.8
141.13753	3.0
143.04550	58.6
146.04486	3.9
160.00616	13.5
167.04520	3.6
171.10196	4.8
174.01733	4.4
177.03372	6.1
179.04575	9.9
188.61302	2.9
210.08780	8.4
221.72868	3.2
229.78506	3.5
254.07768	17.3
272.08954	29.9
288.06683	7.7
306.07684	100.0
307.07965	8.8
614.31934	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	614.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57999	0.3
59.01247	0.8
67.59204	0.3
69.48997	0.3
71.58082	0.6
73.58087	0.3
75.00752	0.4
78.95779	1.6
79.95605	2.6
96.95892	100.0
96.96897	2.5
107.92411	0.3
171.10184	0.5
211.38972	0.3
223.29619	0.3
399.25891	0.3
614.37463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3538
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
57.03331	1.7
59.01241	3.2
61.98685	2.2
69.57857	3.2
69.58280	4.5
71.01266	5.0
72.99173	2.5
75.00747	30.6
85.02818	11.9
87.00755	1.4
95.01268	2.0
98.20567	1.0
99.00733	2.3
113.02354	5.7
115.00162	1.0
117.01776	1.5
157.87773	1.2
169.51044	1.2
171.10069	1.6
177.02441	1.0
239.80954	0.9
368.02396	1.3
437.30389	3.9
439.32135	15.2
465.53543	1.4
471.31168	4.5
493.33322	3.1
497.32642	1.3
539.34113	2.1
559.89441	1.2
597.34711	1.5
615.35394	100.0
616.35706	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	611.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01246	2.0
71.01247	0.8
71.57409	0.5
78.67424	0.6
78.95737	0.9
83.04906	1.1
85.02827	2.3
97.06483	2.4
109.49519	0.6
111.08054	1.4
123.08059	0.7
127.11150	0.9
165.12753	5.8
171.10175	5.1
183.13838	100.0
184.14198	5.0
185.11760	1.0
199.60164	0.7
209.11813	4.2
211.11455	1.0
211.13338	9.5
221.11845	1.7
225.11162	1.0
227.12857	6.5
229.14407	6.9
239.12759	0.8
256.83932	0.7
291.19760	2.7
301.16629	5.1
309.20767	3.1
327.21786	26.4
328.22150	2.0
406.24179	0.6
611.38037	32.8
612.38245	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	611.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23106	1.3
55.87246	1.5
59.01256	2.6
71.01248	1.9
76.05231	1.3
78.95779	35.4
79.95623	3.8
96.95887	100.0
96.96844	52.1
98.02357	7.7
98.19796	2.6
98.90542	2.8
118.96490	2.6
120.07336	1.6
126.28493	1.5
173.38757	1.5
177.79976	1.3
225.11000	1.5
229.75891	1.7
253.09285	1.8
277.21692	12.9
278.22009	2.0
291.04025	3.4
330.68478	1.5
333.04962	3.4
351.06082	6.0
360.61279	1.7
365.36728	1.4
560.54535	1.8
611.37695	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	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37250	2.0
59.01238	6.3
59.27742	2.5
71.01254	6.0
71.57433	3.8
78.95778	49.7
79.95618	2.7
88.71766	1.7
89.02328	2.2
90.48400	1.9
96.95897	100.0
96.96848	77.0
98.02361	4.4
98.90594	4.0
100.55522	1.9
105.90703	1.8
118.96511	4.8
147.81647	2.3
149.06036	2.4
171.04413	2.2
189.00775	5.0
193.04987	2.0
253.09198	5.5
253.12250	4.4
277.21725	30.8
278.21982	3.2
291.04007	6.2
297.11307	26.0
313.11014	3.2
333.05231	3.3
335.03107	2.9
351.06143	15.9
407.17365	3.3
551.25006	4.3
589.15363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.251
Annotation	Karajinone B
Peak:m/z	Relative Intensity
54.39731	1.2
59.01256	10.4
68.52537	1.1
71.01237	1.8
71.51661	1.3
71.57573	1.8
78.26511	1.5
99.99970	1.5
102.19356	1.6
120.08093	2.3
121.05251	2.7
122.06028	13.8
123.06225	1.3
134.06042	7.3
137.97990	1.2
160.06322	8.1
172.23523	1.4
205.29713	1.3
211.08623	2.1
213.10284	30.8
215.11844	15.0
216.12347	1.6
225.10294	2.9
226.11150	1.9
239.11891	19.2
240.12015	1.5
241.13399	15.8
242.13750	1.4
249.10484	1.2
263.71490	1.6
267.11520	1.8
283.10913	3.6
285.12451	100.0
286.12796	6.4
293.12918	2.0
309.12338	2.2
325.12030	8.4
369.14511	1.5
449.16086	4.9
450.16583	2.1
458.26535	1.8
463.17752	7.6
464.18307	5.3
465.19397	5.5
467.24557	4.0
477.19226	2.5
478.20050	6.1
479.20911	11.8
480.21030	2.0
491.24698	6.1
493.22467	30.4
494.22873	6.9
535.23492	56.9
535.31622	3.0
536.23987	10.7
538.22223	17.0
539.22723	2.9
579.22467	22.9
580.22986	4.6
611.24994	14.1
612.25671	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	611.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60829	2.9
60.44450	2.7
69.61898	4.7
69.62304	18.0
75.00735	3.8
81.77028	2.8
83.01264	5.2
93.03303	5.7
95.01272	3.4
98.19807	7.2
103.08842	2.9
107.01292	5.3
109.02843	7.5
111.00761	4.2
111.04443	4.1
119.01331	2.9
119.04908	28.2
120.52802	3.1
121.02821	12.0
123.00764	7.4
123.04407	7.0
124.01590	4.2
125.02332	12.9
131.04535	4.5
135.00806	6.4
135.04425	56.4
136.04733	4.5
137.02365	9.7
138.03110	4.3
139.00221	3.4
139.03912	6.1
145.02831	5.1
149.02354	8.1
150.03020	3.9
151.00241	10.6
151.04008	3.3
153.01854	9.2
153.05452	4.0
161.02347	5.8
163.00291	11.0
163.03868	5.5
165.01852	11.1
166.95560	3.3
167.03400	12.2
177.01860	9.4
178.99808	5.3
179.03438	5.4
179.12238	3.1
181.01292	3.9
187.03862	3.9
189.01945	3.5
191.03462	9.1
193.01379	13.8
193.05020	3.9
203.03415	5.2
205.01353	8.8
205.05049	5.7
207.02962	7.2
207.04994	4.5
207.31303	3.9
208.00038	4.7
209.04507	21.3
217.01393	4.5
219.02917	7.2
221.01056	3.2
221.04509	6.5
223.02359	3.9
227.07111	23.9
233.04417	5.0
235.02425	19.6
239.05618	8.2
249.03975	5.5
261.04037	11.4
265.03546	14.7
279.04904	4.3
283.05948	5.9
287.05560	9.5
295.06085	4.0
300.06677	5.2
328.06079	8.6
329.06320	3.7
341.06384	4.4
371.07715	60.5
372.07965	5.5
385.09332	5.7
401.08484	42.4
402.08804	3.5
403.10342	4.1
413.08508	4.2
431.09451	8.9
449.14566	22.0
458.43951	3.0
461.10571	4.0
473.10773	15.8
491.11978	100.0
492.12061	14.4
501.12534	6.4
521.12756	3.9
593.14990	5.2
611.16113	72.3
612.16479	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	611.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	11.4
64.96958	5.5
70.86435	12.7
74.02350	9.6
96.95895	17.5
99.05523	9.9
104.17902	5.4
114.21789	6.4
128.03409	32.7
143.04494	35.7
146.04539	5.5
179.04506	11.2
198.99657	5.7
210.08817	8.1
254.07823	9.6
272.08862	42.5
288.06671	9.9
304.06146	13.1
306.07687	100.0
307.07986	6.6
308.09030	5.6
338.04858	7.0
501.22919	5.3
509.05362	5.5
526.67468	5.1
558.02753	5.1
611.13892	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	610.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78728	1.4
59.01254	45.1
60.01591	1.5
61.98697	14.4
71.01245	9.3
71.58519	3.3
74.02303	1.9
78.95778	20.5
80.96394	3.5
85.02816	4.4
89.02320	2.8
90.29199	1.7
94.97944	1.7
99.00803	1.6
99.08028	3.1
101.02315	2.8
113.02332	4.6
113.03486	2.2
113.09593	3.3
116.04984	2.8
119.03357	1.9
125.02367	2.3
129.09148	3.7
139.11198	2.3
152.99507	5.7
163.11131	2.0
168.04222	5.4
171.10184	13.4
173.35567	1.9
174.09981	1.5
181.12241	3.2
183.13823	2.8
193.12263	3.8
197.11798	9.5
199.13351	4.1
209.11821	3.1
211.13332	19.0
212.13684	2.5
213.94154	2.0
213.96371	1.5
224.06856	2.1
242.08002	6.9
258.12335	2.0
275.20239	1.9
278.11884	2.4
293.21262	17.2
294.21570	2.5
311.22287	96.8
312.22528	9.9
325.23947	2.2
341.70590	1.6
397.13589	1.7
536.29956	100.0
537.30414	13.3
581.24152	7.1
610.26453	2.7
611.25171	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	610.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78728	1.4
59.01254	45.1
60.01591	1.5
61.98697	14.4
71.01245	9.3
71.58519	3.3
74.02303	1.9
78.95778	20.5
80.96394	3.5
85.02816	4.4
89.02320	2.8
90.29199	1.7
94.97944	1.7
99.00803	1.6
99.08028	3.1
101.02315	2.8
113.02332	4.6
113.03486	2.2
113.09593	3.3
116.04984	2.8
119.03357	1.9
125.02367	2.3
129.09148	3.7
139.11198	2.3
152.99507	5.7
163.11131	2.0
168.04222	5.4
171.10184	13.4
173.35567	1.9
174.09981	1.5
181.12241	3.2
183.13823	2.8
193.12263	3.8
197.11798	9.5
199.13351	4.1
209.11821	3.1
211.13332	19.0
212.13684	2.5
213.94154	2.0
213.96371	1.5
224.06856	2.1
242.08002	6.9
258.12335	2.0
275.20239	1.9
278.11884	2.4
293.21262	17.2
294.21570	2.5
311.22287	96.8
312.22528	9.9
325.23947	2.2
341.70590	1.6
397.13589	1.7
536.29956	100.0
537.30414	13.3
581.24152	7.1
610.26453	2.7
611.25171	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	610.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33669	1.1
59.01253	40.2
60.01573	1.0
64.95757	0.8
69.68349	3.3
69.68768	3.2
71.01255	4.8
72.99191	1.1
73.02829	1.0
80.45439	0.8
83.01224	1.3
85.02831	1.9
86.89925	1.0
89.02311	1.7
99.00819	0.9
101.02307	3.1
101.32951	0.8
103.00237	1.3
106.06516	5.6
113.02337	2.7
122.05994	6.1
132.04448	3.0
134.06012	29.9
144.04451	0.9
146.06001	1.1
150.05554	1.6
150.61328	0.9
152.07072	6.8
158.06036	1.1
160.03893	1.7
162.05484	1.2
172.03981	0.9
176.03407	1.4
190.05014	6.2
192.04250	1.1
194.08160	1.4
202.05023	1.0
208.03658	0.9
215.11682	1.9
223.05963	2.2
224.09377	1.9
235.08813	1.8
239.08092	1.6
239.11870	5.9
241.09767	1.3
249.06290	1.5
249.10237	1.2
250.10974	1.0
251.11951	2.8
252.10007	1.2
253.06062	2.4
253.09935	1.3
255.11441	1.2
265.10037	2.3
265.13318	1.9
266.06985	1.7
267.07443	5.2
267.11383	1.8
268.08511	2.1
277.09857	1.4
279.07855	2.1
279.11365	3.3
280.08450	3.6
281.09326	2.6
281.12692	1.1
283.10861	21.1
284.10959	1.8
287.10318	1.5
294.10168	2.3
295.10849	12.5
305.09286	1.3
306.10101	1.2
307.10782	2.0
309.08707	3.0
309.12402	3.8
323.10242	3.7
327.13498	1.3
337.11682	2.4
402.18115	2.3
428.16125	1.5
430.17624	9.6
456.15411	2.1
462.20392	3.2
474.16483	2.4
488.18192	1.6
490.19696	8.2
491.19940	1.1
505.33557	2.3
506.19138	9.9
506.34131	1.1
507.19742	1.0
523.34436	1.2
524.20068	3.6
534.18829	18.0
535.19226	2.0
538.22125	1.6
548.20099	1.7
566.21399	100.0
567.21643	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67622	0.7
55.60110	0.9
59.01250	4.4
69.03315	0.8
69.27073	10.5
71.01273	1.2
75.96593	1.0
95.04886	4.3
98.20550	2.1
109.06454	1.1
121.10117	25.8
121.51326	0.8
122.19487	1.0
125.09593	1.6
127.07533	1.0
127.11183	1.1
147.31213	0.9
171.10185	66.4
171.84770	1.0
172.10519	2.2
177.16388	1.4
183.13815	6.6
185.11771	2.8
197.11749	1.9
199.13391	1.3
207.09993	3.3
209.11827	1.1
211.13403	1.8
223.13187	2.1
227.12866	2.3
231.21193	4.0
247.13222	0.9
267.91464	0.9
275.20148	88.2
276.20447	7.0
278.11368	11.0
286.09924	0.9
286.17648	1.0
293.21222	100.0
294.21497	8.7
297.18442	2.7
315.19409	56.0
316.19736	3.8
329.17377	2.4
359.18442	10.0
405.07849	1.2
609.41309	65.4
610.41553	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	610.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32729	0.9
56.58236	0.8
59.01255	36.2
68.99664	0.8
69.46966	4.4
69.47375	1.7
71.01260	7.1
73.02834	1.7
75.00761	1.8
79.14963	0.7
83.01244	1.0
85.02825	3.3
86.11610	0.7
87.00803	1.1
89.02310	2.0
97.87128	0.8
99.00754	1.1
101.02328	3.6
102.81972	0.7
106.06509	4.7
108.04419	1.1
113.02343	2.9
117.86413	0.8
122.06051	5.7
125.02283	1.1
132.04463	2.8
134.06013	26.4
135.06401	1.2
138.03105	1.0
138.96898	0.8
141.68506	0.7
144.04424	1.0
145.02834	1.2
150.05521	1.4
152.07094	4.9
155.31674	1.0
168.04216	2.2
172.03900	0.9
176.03426	1.6
176.07062	1.2
190.05000	3.6
191.03415	0.9
192.04179	1.2
193.04863	1.1
207.06596	0.9
211.13371	2.2
215.11754	1.1
223.06046	2.5
224.09438	1.8
227.03252	0.8
227.08301	1.3
235.08514	0.9
239.11880	6.4
240.10263	0.9
241.09769	1.3
249.10326	1.2
251.11934	2.5
253.06161	2.2
253.09721	1.9
254.06458	1.1
255.11327	2.0
263.08212	0.9
265.06158	0.9
266.07080	1.3
267.07608	3.3
267.11389	1.8
268.08353	1.9
277.09875	1.5
279.07791	1.8
279.11307	2.2
280.08560	2.3
281.09305	1.8
283.10876	16.8
295.10843	9.9
307.10910	2.8
309.08832	3.2
309.12500	3.0
310.12906	1.2
315.13351	1.5
321.08826	1.0
323.10251	1.0
327.09705	0.9
327.13443	2.0
337.12054	1.3
361.29663	0.8
383.12524	1.0
397.13403	0.9
402.18213	2.6
406.70663	0.8
428.15961	1.1
430.17648	6.5
446.17242	0.9
456.15421	1.7
462.20322	2.3
474.16672	2.7
490.19962	6.4
504.32584	1.1
505.33804	4.9
506.19403	8.9
506.33505	3.7
507.19376	1.4
516.17798	0.9
522.22443	0.9
523.34436	1.9
524.20612	3.8
534.18884	16.7
535.19012	2.3
538.21680	1.1
548.20056	2.3
566.21423	100.0
567.21704	14.9
609.79578	1.3
611.20087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34798	2.0
51.92622	1.9
57.03322	1.9
59.01254	100.0
71.01251	16.0
71.45593	4.1
73.02829	4.1
83.01251	3.6
85.02826	7.5
86.56984	2.1
101.02330	7.1
113.02342	9.0
118.96861	2.3
129.01968	2.3
161.04556	2.5
238.61440	2.1
309.08304	2.7
316.36795	1.9
361.34909	2.2
378.82919	2.2
489.34341	44.0
490.34470	7.3
505.34357	3.9
507.35434	23.1
508.35367	2.7
549.36371	8.1
609.34576	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	609.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
58.91761	0.6
59.01254	100.0
60.01592	1.0
61.98704	6.2
62.41672	0.5
62.46363	0.6
70.35051	2.1
71.01263	9.3
73.02831	1.5
75.00754	0.9
78.95808	1.0
79.95624	2.1
80.96394	8.8
83.01255	0.9
85.02828	4.0
87.00758	0.8
89.02338	3.4
94.97972	1.6
95.01257	1.2
96.95896	0.6
97.02837	1.1
99.00768	1.2
101.02320	3.0
113.02327	9.2
119.03414	1.6
134.97462	1.1
143.03493	0.9
145.02824	1.3
148.99016	0.7
152.98541	0.9
161.02339	0.9
161.04442	3.2
164.98590	1.9
193.73988	0.7
211.13338	1.3
225.00792	2.3
226.89619	0.7
243.98024	0.6
273.46689	0.7
299.25925	0.8
311.22345	2.2
339.23767	0.7
345.30234	3.7
368.82864	0.6
387.57837	0.6
447.23770	3.9
489.34366	17.7
490.34732	2.4
507.35330	3.8
511.18353	0.7
536.30121	1.9
549.37128	1.2
609.25781	13.8
610.26318	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24851	0.4
57.24370	0.5
59.01258	1.0
61.99617	0.5
65.19403	0.5
69.03330	0.6
69.91610	2.0
88.16589	0.5
92.01619	0.6
93.03335	0.9
95.04902	33.7
96.05246	1.1
107.20120	0.5
116.69009	0.5
122.83519	0.5
139.45789	0.6
161.03746	0.5
167.10744	0.7
179.10687	0.5
179.14314	0.9
183.13817	0.7
189.05260	1.1
192.51010	0.5
195.13841	10.2
196.14545	0.5
205.12263	1.3
223.13306	7.5
224.13736	0.6
228.13637	1.0
231.21111	0.9
246.12305	11.5
256.13168	1.3
265.21805	0.9
275.20239	4.3
278.11356	73.3
279.11761	3.9
293.21234	100.0
294.21579	8.6
300.24704	0.6
315.19400	27.4
316.19760	2.0
359.17789	0.7
572.31708	3.4
573.31848	0.7
609.41620	8.8
610.41455	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	12.0
59.01250	89.8
59.01887	3.1
67.53288	3.6
69.38463	29.4
69.38867	6.1
71.01247	39.1
71.05226	4.2
73.02831	9.7
74.23335	3.2
83.01257	9.5
83.04916	4.8
84.26633	3.2
85.02811	16.7
87.00741	3.8
89.02339	12.9
94.12115	3.0
95.01230	4.7
99.00781	5.3
101.02322	20.1
113.02342	23.0
115.85778	3.0
117.37317	3.2
125.02309	4.1
135.02893	5.5
135.05544	3.6
149.88538	3.4
161.04489	10.7
161.92227	3.7
181.54391	3.8
183.13887	4.5
193.63187	3.3
211.13420	17.4
220.26471	3.3
336.86026	3.5
361.29538	14.3
397.13412	6.7
415.14655	4.8
491.28088	4.2
505.33838	100.0
506.34183	12.1
523.34741	32.0
524.35394	4.0
537.28857	3.8
565.35962	6.9
609.29840	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	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24881	2.4
57.03320	3.3
57.98251	3.5
59.01252	100.0
61.71109	2.5
63.74457	2.5
64.39912	3.3
65.15508	2.5
66.20093	2.6
66.58115	3.3
69.03341	5.2
71.01249	42.7
72.99174	5.7
73.02814	11.3
75.00746	9.3
79.55577	2.7
83.01255	5.4
85.02825	15.7
87.00764	6.0
88.98669	4.4
89.02311	27.4
91.42403	2.9
95.01244	6.7
96.95877	6.8
98.20557	6.9
98.95537	3.1
99.00744	9.0
101.02324	24.1
113.02324	28.9
114.01826	2.7
119.03363	4.4
125.02313	4.1
134.03630	5.4
138.05505	3.3
143.03410	6.0
150.03137	3.7
161.04497	7.0
183.13873	6.9
211.13342	90.1
212.13647	4.2
241.08603	8.8
249.06134	4.6
267.07172	7.1
361.29410	7.2
370.79150	2.8
371.40015	3.0
397.13474	37.1
398.13861	3.9
415.14380	18.2
443.11847	9.1
444.12421	15.8
505.33731	39.9
506.34103	7.1
523.34637	10.1
610.39679	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.9
57.03327	5.8
57.84069	2.1
59.01253	100.0
69.93558	9.6
71.01260	22.0
73.02820	4.2
83.01271	5.1
85.02823	12.8
89.02325	5.9
95.01257	4.0
99.00761	5.0
101.02326	9.4
109.96339	2.1
113.02334	20.3
125.02296	2.6
125.68539	2.1
143.03326	2.2
150.69373	2.5
161.04552	2.2
162.53958	2.2
184.06154	3.2
211.13293	5.7
229.17972	2.7
267.07248	4.2
361.29568	4.0
387.14618	3.6
434.13013	4.0
443.11594	4.5
505.33862	62.4
506.34103	8.9
523.34955	22.0
524.34924	3.8
565.35431	2.9
610.17566	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	609.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.5
61.86398	0.6
61.98705	12.9
71.01263	2.2
73.81935	0.7
75.00706	0.8
78.27813	0.7
78.95780	37.5
85.02820	1.2
89.02328	1.3
91.41332	0.6
93.13396	0.7
96.96844	7.1
101.02297	1.3
113.02356	1.9
117.03363	12.6
119.04924	42.3
120.05280	1.6
121.02825	1.0
145.02864	94.4
146.03232	4.2
152.99496	43.6
163.03929	40.1
164.04274	1.9
167.10709	0.8
171.00571	1.2
171.10178	0.7
195.13832	5.2
195.42964	0.9
196.14290	0.9
211.13345	3.1
221.19095	8.1
222.19354	0.9
223.00110	3.6
223.13394	4.2
225.11348	0.8
229.77803	0.8
241.01161	16.7
259.02274	1.1
265.17981	5.2
271.06070	0.8
275.20163	2.4
283.19180	9.7
293.21259	21.8
294.21582	2.5
300.02991	0.9
301.20209	18.7
302.20560	1.5
315.04810	8.3
333.05933	1.2
429.22720	0.9
441.19910	0.8
444.37601	0.8
447.23886	100.0
448.24249	13.1
489.24832	1.4
512.46051	0.8
609.26776	53.0
610.26996	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.7
59.01254	100.0
69.03333	3.6
69.49942	5.6
69.50349	13.2
71.01260	39.9
72.99181	4.1
73.02825	11.8
74.64053	2.7
75.00754	6.0
79.95631	5.8
80.96400	7.8
81.03331	2.9
83.01263	9.5
83.33794	2.5
85.02816	20.2
87.00756	8.4
88.07561	2.5
89.02317	10.8
95.01269	6.2
96.95877	5.2
97.02842	3.4
98.19834	5.6
99.00753	5.2
99.04404	3.4
101.02323	26.2
102.02732	2.3
107.93156	2.1
111.00799	3.9
113.02337	22.4
116.92744	4.5
119.03342	3.9
125.02339	5.5
134.03598	5.0
145.26170	2.6
155.89850	2.4
161.04488	7.0
186.17628	2.4
193.05022	2.6
211.13385	7.6
213.18640	3.1
246.56061	2.6
267.07288	3.8
271.06116	3.8
287.22192	9.0
361.29562	9.1
431.26520	10.7
432.27051	2.7
433.17224	7.8
449.27512	10.7
491.28995	13.8
505.33762	80.4
506.33997	9.7
507.28366	6.0
523.34839	25.6
524.35748	4.2
525.29297	3.1
565.36053	3.8
587.80591	2.5
609.24207	7.1
609.32233	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	609.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.4
59.01248	10.1
61.98708	16.2
65.38217	1.0
71.01257	4.0
78.95779	51.0
85.02808	2.2
85.62572	1.0
89.02313	2.4
95.39374	1.2
96.96857	9.7
98.19739	1.6
101.02318	1.9
110.02426	1.1
113.02329	2.1
117.03365	11.7
119.04919	47.2
133.20465	1.1
144.15106	1.1
145.02858	92.3
146.03209	3.3
152.99495	60.1
153.00533	0.9
161.02315	1.3
163.03918	33.4
164.04265	1.6
171.00551	1.8
171.10213	1.7
195.13867	7.2
211.13321	4.4
221.19061	9.1
223.00096	5.7
223.13382	5.7
241.01137	16.7
263.82205	1.3
265.18167	5.7
275.19983	2.7
283.19193	11.6
293.21213	32.2
294.21515	3.0
301.20160	15.9
302.20615	1.8
315.04944	8.4
322.26608	1.1
447.23892	100.0
448.24289	13.7
609.26740	70.7
610.27167	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	609.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
58.21614	0.6
59.01255	3.6
61.98703	2.0
65.79936	0.5
66.07910	0.5
69.02734	0.6
71.01256	1.7
73.02798	0.6
78.95786	5.7
80.96378	0.5
82.39223	0.7
84.01302	0.7
85.02826	1.0
96.95909	0.7
96.96867	0.7
101.02306	1.1
113.02328	1.3
117.03358	14.9
117.04189	0.9
118.03635	0.8
119.04922	50.3
120.05283	1.6
121.71870	0.6
124.41479	0.6
145.02858	100.0
146.03201	4.2
152.99501	4.7
163.03926	39.4
164.04210	1.4
211.13312	3.3
221.19040	9.2
229.97328	0.7
241.01198	3.0
265.18118	5.5
283.19193	9.2
284.19534	0.8
293.21255	2.1
301.20224	18.0
302.20563	1.7
315.04800	0.7
397.13394	1.3
429.21783	0.9
447.23886	87.0
448.24191	9.7
489.24817	2.9
609.28442	17.9
610.29175	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	609.146
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.57933	0.6
59.01227	0.9
67.50725	0.8
69.46111	0.6
69.61008	1.6
69.61417	3.9
81.50594	0.6
89.02294	0.8
107.01147	0.8
111.43846	0.8
112.46783	0.7
113.86409	0.7
137.02393	1.1
138.44258	0.6
145.06090	2.6
151.00313	1.7
171.04384	0.9
183.04440	2.7
199.03636	0.8
211.03905	2.1
213.05302	0.9
227.03439	11.4
239.03375	0.7
255.02960	46.0
256.03549	5.4
257.04697	0.8
269.04596	1.0
281.04703	1.1
283.02469	87.8
284.03180	27.9
285.04013	48.3
286.04440	3.2
297.04010	1.4
326.04324	1.1
327.04962	2.4
338.33105	0.7
446.08575	18.6
447.09280	100.0
448.09659	10.8
459.09146	1.6
489.10370	8.1
531.11597	0.8
609.14618	28.8
610.15039	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	608.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	5.3
59.01245	2.5
69.28600	9.1
70.02821	1.5
71.01255	1.7
74.02345	11.0
76.72823	0.8
82.02861	1.0
85.02808	1.0
86.02355	3.7
86.98981	1.0
87.05515	3.0
97.03947	0.8
99.00722	0.9
99.05520	9.7
101.02336	1.0
101.07099	1.5
102.05476	2.0
109.04003	1.2
111.05560	1.0
116.01650	1.0
123.00819	1.1
123.05537	1.4
125.02311	1.3
125.03485	1.4
127.05021	3.1
128.03436	28.5
129.03812	0.9
135.05537	3.0
137.07098	1.1
141.06622	2.0
143.04529	38.8
145.06104	1.3
146.04485	4.4
147.88194	0.8
151.00258	1.4
153.06590	3.0
160.00650	12.4
166.09715	2.2
167.04565	2.1
167.08156	1.3
170.03302	0.9
177.03355	2.9
179.04533	8.2
192.07733	1.3
197.05679	1.1
198.08821	1.6
210.08792	7.4
211.13272	2.7
227.03381	1.4
242.07986	0.9
254.07802	12.3
255.02965	6.0
271.02356	4.4
272.08911	21.2
273.09192	2.3
284.03192	2.5
285.04062	1.2
288.06595	7.5
299.01886	0.8
300.02774	11.8
301.03619	1.8
306.07666	100.0
307.07889	6.3
608.25195	2.8
609.14496	10.4
609.25055	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	609.1462
Annotation	Rutine
Peak:m/z	Relative Intensity
56.37007	0.5
63.02268	0.6
65.00198	1.2
70.84900	0.5
83.01310	0.7
86.60165	0.5
86.70585	0.5
107.01264	2.3
108.02097	1.0
109.02837	1.1
121.02836	1.4
148.01596	1.5
151.00281	9.8
163.00281	2.0
164.01051	0.6
169.01315	0.7
171.33736	0.6
171.98645	0.5
178.99779	5.4
190.99828	0.7
198.03149	0.5
199.03970	0.8
211.03967	0.7
216.04366	0.8
226.02658	1.6
227.03448	3.1
230.26382	0.7
243.02977	13.0
244.03506	0.9
245.04440	1.6
247.47995	0.6
254.02208	1.8
255.02972	26.8
256.03314	2.4
271.02487	59.3
272.02917	6.2
299.01999	1.7
300.02753	100.0
301.03442	30.3
302.03903	1.8
336.51367	0.6
343.04797	0.9
397.83389	0.7
551.05646	0.6
609.14630	79.6
610.14972	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.3
65.00186	2.4
69.52486	0.6
69.52845	5.1
71.01250	3.3
72.99176	0.8
73.02810	1.1
83.01260	1.7
85.02808	1.3
87.00735	0.9
89.02293	1.4
89.26141	0.6
93.03342	1.5
95.01271	1.6
99.00751	1.1
107.01252	2.2
108.02058	1.1
109.02810	1.6
109.99982	3.4
111.00751	2.4
113.02331	1.5
117.03329	1.8
121.02782	0.9
123.00783	2.4
124.01562	0.9
125.02306	2.9
132.02092	1.0
135.00748	1.0
135.04359	0.9
136.98701	2.0
137.99500	1.4
139.00314	5.1
143.04875	0.8
145.02826	1.4
147.00751	0.8
147.04405	0.9
148.01575	1.1
149.02347	1.0
151.00282	7.9
152.01030	3.3
153.01830	1.0
155.04895	0.8
163.00255	1.9
165.01816	1.0
165.98984	5.1
166.99738	3.3
169.01389	0.8
171.04407	1.7
173.02324	0.8
175.03963	0.8
177.90263	0.7
178.99759	5.5
182.03545	0.7
183.04552	1.5
187.03882	3.0
193.98470	0.9
196.85880	0.7
198.03191	1.0
199.04036	3.2
201.05457	1.8
209.00786	2.7
211.03880	2.4
211.13297	2.9
215.03416	2.1
226.02689	2.7
227.03444	8.8
228.03952	1.3
229.04950	2.1
239.03378	2.1
243.03012	13.3
244.03613	2.3
245.04526	2.1
254.02232	3.8
255.02969	34.8
256.03534	4.7
257.04480	3.2
271.02475	45.2
272.03146	12.5
273.03912	1.8
282.01669	1.4
283.02472	15.2
284.03024	3.0
285.03952	4.0
285.06851	0.8
299.01883	3.2
300.02731	73.0
301.03473	31.9
302.03903	2.0
343.04675	0.9
357.13412	1.1
361.16406	1.1
369.13391	2.0
384.47873	0.7
397.13745	1.1
422.74759	0.7
489.12372	1.2
503.19409	0.8
554.38025	0.7
591.13684	2.4
609.14557	100.0
610.14948	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	607.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.01244	16.7
73.02820	5.3
75.00746	4.9
82.40428	2.7
83.01237	3.3
85.02828	10.3
89.02346	3.0
98.20565	12.2
99.00743	4.3
101.02327	8.9
101.19671	3.2
107.51904	2.5
113.02351	8.1
125.02326	3.1
161.04469	6.2
189.06413	2.7
201.23042	2.5
246.96199	3.3
375.23917	2.9
487.32770	25.3
488.33105	3.8
503.31662	5.9
505.33932	11.8
547.34979	3.7
563.34338	13.6
564.13770	2.9
607.21136	2.8
607.34094	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	608.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51281	0.3
53.88383	0.4
55.01761	0.5
57.03333	2.3
58.00463	0.4
59.01252	17.0
67.01740	0.5
68.99680	0.9
69.03328	0.8
69.90475	0.5
69.90815	2.3
71.01251	16.3
72.01556	0.5
72.99188	4.2
73.02821	1.7
75.00746	9.6
79.82204	0.3
81.03329	0.5
83.01257	0.9
83.04916	0.4
85.02823	18.1
87.00747	5.8
89.02316	5.3
89.03824	0.9
91.03887	0.8
93.03334	1.1
95.01271	4.4
95.04893	0.7
96.95865	0.5
98.20509	0.7
99.00758	6.7
99.04375	0.4
101.02329	2.0
103.00242	1.5
109.06453	0.4
110.02356	0.7
111.00811	0.9
112.01550	0.6
113.02332	20.5
114.02651	0.7
115.00261	1.4
115.16986	0.4
117.01825	1.4
117.03350	3.0
119.03331	0.5
121.02896	0.6
122.02351	0.6
123.03162	5.6
123.04067	0.6
123.04358	0.4
125.02333	0.6
129.01820	1.2
131.03351	0.7
132.02065	1.1
133.02855	1.6
134.03633	31.0
135.04256	1.8
136.03918	0.8
137.02348	0.5
138.05501	20.0
139.05865	0.5
149.01160	0.6
149.02293	0.4
149.04755	0.5
149.06006	3.7
150.03127	0.6
151.03877	0.4
157.01358	0.7
160.01566	4.7
161.02350	2.4
161.04440	0.8
164.03456	6.5
165.05513	0.6
175.02376	2.2
175.03929	4.9
178.02634	0.6
179.03398	1.3
193.03508	0.8
193.04984	20.7
194.05338	1.0
194.51169	0.4
205.06982	0.4
207.04993	1.1
209.11839	0.4
211.13327	2.9
231.05034	0.9
249.03458	0.6
249.06120	12.1
250.06404	0.6
255.02991	0.6
267.07181	45.7
268.07535	1.9
284.02985	0.5
364.83685	0.4
381.11847	0.6
397.13403	1.9
411.09396	0.5
414.10480	1.6
415.14801	0.7
425.10999	2.6
432.11508	5.5
443.11926	100.0
444.12234	10.5
465.95142	0.4
503.32083	2.0
504.32523	1.9
521.33154	0.6
522.33551	0.4
608.16187	6.8
608.24982	0.3
608.40356	0.7
609.16577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05995	2.0
51.91407	2.0
55.01760	2.0
57.03320	4.6
59.01254	100.0
71.01260	25.3
73.02829	9.0
79.24052	1.8
83.01225	4.8
85.02814	15.5
87.00781	2.3
89.02328	9.0
93.06985	3.0
95.01285	3.8
98.20547	5.9
99.00733	2.8
101.02316	16.3
113.02331	18.5
119.03435	2.8
127.95016	2.0
151.03906	4.4
159.02933	2.5
161.04440	10.7
198.12706	2.0
209.11305	2.0
223.44453	1.8
229.18033	3.8
355.11798	3.8
373.22336	6.1
391.23270	10.6
403.13943	3.5
485.18420	2.1
503.32263	64.6
504.32870	12.4
521.33362	25.2
522.33649	4.8
563.34076	2.9
582.67133	2.3
607.20801	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.5
59.01254	89.6
61.51074	1.9
69.49907	13.2
71.01259	27.5
73.02820	9.5
75.09143	2.1
83.01263	3.4
85.02836	16.7
86.03169	1.9
87.00764	2.7
89.02325	5.5
92.99255	1.7
93.06994	3.5
95.01272	4.3
97.02824	1.8
98.20592	3.0
99.00745	4.2
99.04402	2.1
101.02322	13.4
111.00813	3.6
113.02336	20.4
125.02345	3.2
135.03008	2.0
143.03500	1.6
161.04480	7.6
171.10179	3.9
179.05394	2.6
185.15414	2.8
209.11774	2.1
229.18098	7.9
359.27594	2.3
373.22287	12.4
391.23221	8.0
403.13495	2.1
503.32278	100.0
504.32474	13.3
521.33258	24.2
522.33624	3.5
563.34033	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01718	1.7
55.01761	3.4
57.03326	4.5
59.01255	94.7
68.47623	2.4
69.31905	7.9
69.32331	14.7
71.01261	38.1
72.99205	2.4
73.02818	11.1
83.01260	6.5
85.02827	24.4
87.00773	2.4
89.02316	9.1
95.01285	3.4
97.02830	3.2
97.06487	16.7
99.00761	4.6
101.02325	23.4
107.53961	2.5
109.06458	7.9
113.02341	24.0
113.43729	2.7
119.03410	2.8
125.02436	2.6
127.07566	6.1
142.54128	2.1
143.03389	4.3
161.04436	16.2
185.89442	2.2
199.59171	2.3
217.36086	2.4
219.19087	2.8
243.19705	8.7
357.22775	6.9
375.23834	6.6
387.23978	9.1
405.24994	5.8
485.31509	4.3
503.32294	100.0
504.32571	15.6
521.33289	26.7
522.33557	5.3
563.34442	5.7
623.07953	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	605.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46627	0.4
53.13019	0.5
59.01245	0.9
71.06869	0.8
88.98677	1.6
93.03334	4.5
118.46831	0.5
119.04900	0.9
148.08839	1.6
150.10416	1.3
151.11201	0.7
162.91612	0.4
163.11179	0.8
165.12762	25.5
166.13068	0.8
176.11940	0.7
177.03719	0.5
177.12784	0.6
191.14290	1.1
217.15857	0.9
244.10793	7.4
247.20634	11.7
248.20932	0.6
273.18591	7.6
291.19659	100.0
292.19995	7.7
313.17844	22.1
314.18210	1.4
605.38226	26.3
606.38629	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	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33236	3.9
53.79255	3.9
57.03321	9.7
57.94629	3.9
59.01254	100.0
67.12215	4.6
71.01253	62.5
71.57633	4.3
72.99187	8.0
73.02817	33.9
75.00748	17.0
76.91188	3.6
83.01266	17.4
85.02827	47.1
87.00751	25.2
89.02318	14.4
94.66098	3.8
96.95881	6.7
99.00761	9.6
101.02324	28.8
113.02355	36.3
121.02824	13.5
125.02328	7.9
134.03624	10.6
136.01556	19.1
137.02342	7.0
145.02863	7.5
151.00290	4.9
151.03923	31.4
159.04396	5.2
160.05214	18.9
161.04466	4.9
163.03873	5.2
175.03966	4.5
175.07596	11.7
177.01762	6.1
181.05020	7.2
193.05028	9.8
202.02681	9.1
203.03453	10.2
209.11870	8.8
217.05043	6.7
218.05849	10.9
233.08125	10.8
249.06119	7.8
255.03041	12.1
267.07190	19.3
284.03183	9.0
306.05435	4.9
309.08041	6.8
315.49905	4.4
355.11819	36.2
385.12842	11.5
403.14001	16.5
405.87946	5.9
565.19006	6.6
577.15814	5.7
589.15527	17.1
607.19806	34.4
608.20648	6.5
608.29895	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	605.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89384	0.8
72.58308	0.8
89.90450	0.9
245.63651	0.9
383.11832	1.0
416.16412	1.2
427.18759	1.1
429.17096	1.7
430.18021	1.6
444.19193	1.1
459.18326	3.2
471.18170	1.1
473.19916	3.6
485.19427	1.9
486.20795	3.6
487.21173	2.0
499.17865	2.6
501.22961	2.9
511.21432	2.1
513.19464	2.5
514.20117	9.8
515.20477	1.6
518.19849	1.8
529.22485	100.0
530.22778	19.5
533.21680	2.3
561.25409	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49425	5.2
51.76695	5.2
55.01756	6.4
59.01255	84.6
59.48832	5.7
69.36676	44.6
69.47788	6.8
71.01255	40.5
71.43736	6.2
75.16582	5.0
85.02836	12.6
89.02312	10.3
90.37232	6.6
90.69569	6.8
95.57809	6.5
96.95916	8.2
98.20638	6.8
99.00760	6.9
101.02328	19.8
112.33903	6.0
113.02390	13.4
116.97129	12.2
119.67962	6.0
151.03787	8.5
161.04422	7.6
171.10278	7.1
175.03995	7.2
253.09277	34.9
268.70148	6.0
291.16885	8.9
291.19553	42.4
309.20721	100.0
351.90900	5.7
457.27936	8.1
605.32574	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	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.52548	0.3
54.61098	0.3
56.30628	0.2
69.74964	0.3
73.28007	0.3
77.72482	0.3
99.98025	0.3
106.06506	0.3
106.98830	0.3
120.04343	0.4
151.58780	0.3
174.31624	0.3
186.05556	0.4
244.17244	0.3
279.03494	0.3
323.25165	0.3
329.62607	0.3
366.22928	0.3
394.11948	0.6
401.18231	0.4
415.15475	0.7
416.16467	0.7
427.19421	0.4
428.16336	0.7
429.17081	1.2
430.17947	1.2
442.17578	0.5
443.18942	0.9
444.19110	1.0
455.19382	0.5
457.20892	2.3
458.20905	1.0
459.17886	3.0
460.18936	0.5
461.23532	0.8
469.20483	0.6
470.21198	1.0
471.18182	2.5
472.18982	1.3
473.19678	6.0
474.20068	0.9
485.19861	2.2
485.23923	1.1
486.20731	4.6
487.21423	2.0
496.19077	1.2
499.17609	2.5
500.17929	0.6
501.24017	2.7
502.23425	0.5
503.20718	0.5
510.20673	0.4
511.21457	3.1
512.21997	0.6
513.19324	3.1
514.20007	9.9
515.20081	1.6
517.18774	0.7
518.19574	1.7
527.20990	0.4
528.21930	0.8
529.22449	100.0
530.22803	18.4
532.21301	1.8
533.22089	2.3
561.25250	0.9
573.21600	1.4
605.24646	1.4
630.50275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	100.0
58.03664	1.6
59.01253	4.8
61.90985	0.4
70.33297	0.5
71.01264	1.0
75.00711	0.5
75.62203	0.4
81.03346	1.9
83.01278	0.6
85.02811	1.0
99.04399	27.3
101.02324	20.5
102.02686	0.6
113.02350	0.9
125.02379	2.9
143.03606	0.5
161.04437	0.6
162.72838	0.5
177.05525	1.0
189.20421	0.5
255.06688	1.0
265.05069	0.5
267.03085	1.3
267.06873	1.2
268.07590	0.7
279.06943	0.7
282.08963	0.6
283.06036	2.9
284.06555	0.7
293.04468	0.6
294.05347	0.8
295.06305	0.7
296.07016	1.1
298.08557	0.8
300.10086	0.9
308.07016	0.8
309.07874	1.4
310.08496	0.9
311.05655	7.4
311.09241	1.4
312.06223	1.1
323.09332	1.4
324.10196	1.4
325.07245	0.6
326.07968	11.2
327.08737	2.6
327.12302	0.8
338.11887	1.0
339.08774	1.5
339.12531	2.0
341.10315	21.2
342.11023	3.2
354.11221	0.7
356.12640	14.5
357.13272	5.8
369.13458	5.6
370.14197	0.6
413.16422	0.8
431.17212	1.1
455.17191	2.8
461.18408	0.9
473.18182	16.6
474.18927	2.7
495.20190	2.1
503.19388	0.5
513.21320	28.5
514.21649	5.1
543.22961	0.9
554.09644	0.5
563.31793	0.5
605.22070	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	605.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.5
69.28702	2.5
69.37392	13.1
69.37816	10.9
69.89681	2.3
71.01277	7.1
75.00751	4.3
77.16957	2.3
79.92484	3.1
83.02396	7.3
85.02831	7.1
98.19831	4.8
99.00790	4.2
101.02328	4.9
112.57848	2.6
113.02332	3.9
119.04937	13.5
121.02839	8.5
125.02511	2.8
138.08026	3.2
145.02837	7.2
145.06125	4.3
146.03651	3.3
161.02371	4.7
163.03908	6.1
166.95172	2.7
175.02480	3.4
175.03960	10.3
176.04735	4.7
183.13899	3.4
242.88683	3.2
255.03033	7.3
263.07043	4.8
267.06845	3.9
269.04437	3.2
269.08298	4.6
279.06592	4.2
281.08133	11.8
282.08878	3.5
284.03226	6.8
286.86557	2.6
293.08249	4.4
294.09021	5.3
297.07654	24.9
309.07697	38.7
309.11295	9.6
310.08221	4.7
312.10056	26.1
323.09210	7.2
324.10043	26.0
327.09076	3.7
327.12363	100.0
328.12732	7.7
337.07281	3.7
337.59811	3.2
339.12347	73.3
340.12448	6.4
357.13388	8.9
371.11530	3.6
383.11331	11.0
442.11673	2.9
517.19305	3.6
572.20264	3.3
605.26312	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	605.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76800	4.5
56.80676	4.4
57.03319	8.4
59.01257	65.6
59.37823	3.4
71.01273	26.9
72.99194	7.3
73.02814	6.1
75.00735	14.2
83.01270	4.6
85.02813	16.4
87.00758	5.3
89.02312	12.0
96.95889	9.2
99.00747	9.9
101.02326	11.4
113.02331	21.6
119.04943	21.6
145.02849	15.0
147.04379	5.2
151.03955	6.5
154.41331	4.5
158.69463	4.0
161.02376	6.9
161.04443	7.3
163.03902	8.5
191.03497	5.7
191.07060	6.3
193.05000	6.8
227.03516	7.9
229.09605	4.4
238.04852	4.1
247.46523	4.1
249.05962	9.6
253.08942	4.1
255.02960	14.2
265.05048	4.5
267.02902	8.5
267.07037	17.3
269.04590	100.0
269.52713	4.1
270.05042	6.5
279.06757	5.4
284.03210	12.8
285.03979	4.7
296.06976	5.1
297.04495	6.4
297.07770	12.9
309.07623	11.4
311.09277	7.4
312.09967	8.9
324.06339	9.3
324.09866	5.3
327.12427	18.4
337.07217	16.3
339.08682	18.0
339.12454	12.0
341.06555	6.1
351.09021	6.2
352.09586	6.1
353.06747	21.8
355.08163	7.9
356.08966	14.6
368.08936	20.3
369.13623	7.9
371.11313	56.4
383.11362	72.5
401.12479	32.9
402.12833	4.2
442.11673	4.6
523.63904	7.5
605.18909	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	605.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39931	1.0
57.03327	6.5
59.01254	25.0
68.37044	0.9
69.03336	1.7
70.22620	4.1
71.01255	24.6
72.99182	7.0
73.02805	3.3
74.02344	1.1
75.00744	13.4
83.01279	1.8
83.04865	1.1
85.02825	22.5
87.00747	10.5
89.02312	6.4
91.03845	1.0
95.01264	5.5
96.95883	1.4
99.00764	10.8
99.04379	1.9
101.02343	4.8
103.00229	2.1
109.64777	0.7
111.00704	1.1
113.02332	31.9
114.02658	0.9
115.00250	1.6
117.01778	2.5
117.03355	4.3
119.04927	1.2
121.02853	1.3
128.03404	1.1
129.01785	1.6
133.02850	12.2
134.02660	1.9
134.03636	36.3
135.04425	19.1
137.02333	1.4
145.02840	3.6
149.04517	1.0
149.05968	3.1
160.01564	8.0
161.02361	43.1
161.04387	1.9
161.05994	1.6
162.02689	1.7
163.03902	0.9
165.04039	1.1
175.02365	2.7
175.03918	8.7
176.04256	1.0
179.03415	9.6
193.03395	2.3
193.05000	22.9
205.07069	1.0
207.04988	1.3
219.06612	0.9
249.06126	10.9
253.07077	1.1
255.03001	2.4
267.07190	71.3
268.07568	3.5
271.02502	2.2
277.07034	2.3
284.03296	1.3
285.03870	1.3
300.02661	2.7
341.10205	1.0
349.90228	0.9
357.13367	1.5
367.10291	1.1
393.07513	1.2
411.09354	5.2
425.10748	2.2
429.10281	11.5
430.10770	2.0
443.11948	100.0
444.12161	9.6
523.63733	1.4
545.29346	2.5
579.37097	0.9
587.12982	0.9
589.29199	0.9
589.66882	1.2
605.15027	38.5
605.31293	1.4
606.15411	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22525	0.9
53.15936	1.3
59.01249	4.0
60.99178	2.7
64.98685	1.0
67.16402	0.9
71.57757	1.8
78.95798	5.5
82.53800	1.0
87.00754	7.2
88.00272	10.2
88.98681	15.2
89.02321	100.0
122.67490	1.1
152.76300	1.1
152.99501	3.4
171.10225	5.3
184.84375	1.1
266.15524	1.0
277.21725	2.9
295.22769	3.1
331.21082	1.2
431.22272	1.5
627.33716	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	605.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66076	1.5
57.03318	4.6
59.01251	31.9
69.03329	1.6
71.01257	24.4
71.58334	2.2
72.99187	5.8
73.02821	6.4
75.00749	13.2
83.04917	1.8
85.02825	18.6
87.00749	8.5
89.02356	9.5
95.01278	4.2
96.95887	4.0
99.00749	12.4
101.02318	8.0
105.70213	1.7
113.01608	3.1
113.02328	25.2
115.00289	3.2
117.03355	5.3
119.04858	2.3
119.18224	1.7
122.92942	1.7
132.02036	2.0
133.02861	15.6
134.03641	36.1
135.04433	18.1
137.02330	2.6
143.03470	2.0
145.02866	6.3
149.06003	2.9
160.01549	5.3
161.02365	41.4
161.04424	2.4
175.02483	2.9
175.03934	4.5
179.03410	9.3
186.12364	2.0
193.03383	2.6
193.04994	23.4
194.09753	1.5
219.06740	2.2
227.03484	2.5
242.27728	1.6
249.06146	13.7
255.03033	4.5
267.07199	39.9
271.02521	2.1
277.07129	2.7
308.64719	1.6
335.51364	1.6
411.09232	10.8
429.10593	5.0
443.11954	100.0
444.12183	11.9
456.29321	2.3
523.63629	2.3
545.21558	2.5
562.28827	1.8
605.14355	11.8
605.29907	2.0
606.15405	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92310	3.2
57.03315	3.3
59.01250	72.5
69.03345	3.9
71.01255	20.6
72.99172	5.1
73.02811	6.5
75.00741	3.9
77.59869	3.2
79.42395	3.3
83.01283	5.3
83.04884	4.8
85.02827	6.9
89.02331	12.1
98.20638	8.8
101.02335	16.4
102.57243	3.7
111.24139	3.5
113.02351	6.9
125.09644	5.8
137.09636	6.5
161.04526	3.4
163.11206	9.2
171.10139	16.3
185.11795	12.7
189.05388	3.6
191.14360	8.3
199.13445	6.0
209.11761	25.2
211.13390	11.4
212.13567	3.7
223.42003	3.9
230.12325	4.2
236.59874	3.2
237.11313	7.3
245.19127	22.9
253.09239	45.3
260.21289	3.6
289.18112	100.0
290.18469	11.8
307.19150	89.9
308.19467	6.9
603.30811	4.7
603.39563	5.3
604.29736	4.0
604.39465	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01405	2.5
58.27612	2.4
59.01253	53.6
71.01257	11.0
71.45018	2.6
71.45365	3.6
75.00755	4.8
81.03330	3.3
83.01264	4.2
85.02850	3.2
87.00737	2.5
89.02325	8.6
89.21109	2.0
91.07804	2.4
91.57697	2.4
97.02879	2.3
97.06473	6.4
99.00726	2.7
101.02338	13.6
102.78504	2.3
113.02319	7.5
119.03386	4.4
123.04420	5.7
125.09589	5.6
135.08066	2.7
137.09575	5.4
142.92596	2.3
161.04483	4.7
163.11174	7.3
171.10165	3.0
185.11797	10.4
189.12602	2.3
191.14345	7.1
207.10184	2.9
209.11780	19.4
211.13293	5.7
223.00319	2.5
225.11263	5.4
237.11296	4.8
245.19048	18.3
253.09261	43.5
257.77325	2.7
263.20065	3.7
272.50537	2.6
289.18100	100.0
290.18430	8.2
307.19165	88.6
308.19513	8.0
346.07742	2.5
603.31329	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.5
59.01252	68.9
61.98681	9.3
71.01244	19.0
71.58328	4.7
73.02785	4.8
74.24548	3.4
75.00745	6.0
85.02827	10.8
89.02323	18.9
89.98859	4.1
93.53056	3.6
95.04865	4.8
96.95905	4.3
99.00781	6.8
101.02347	19.5
109.06471	4.9
113.02337	10.6
119.03407	5.3
121.02856	9.8
123.04421	6.4
125.09613	9.8
128.03441	3.5
129.19113	5.0
130.81677	3.5
137.09644	4.7
148.61414	3.4
163.11278	4.9
169.12206	11.1
171.10164	16.5
183.13805	6.2
185.11839	8.0
191.14323	8.2
209.11760	22.7
211.13361	7.5
245.19023	17.4
246.00983	4.3
253.09264	35.0
272.08701	3.8
289.18097	100.0
290.18457	10.2
306.07751	4.2
307.19168	65.7
308.19382	9.3
499.84363	4.5
603.30493	24.3
603.39038	10.6
604.30029	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06063	2.0
59.01256	44.5
61.98695	2.2
70.09290	9.5
71.01260	23.1
72.99210	3.1
73.02850	10.6
85.02828	6.1
87.00775	3.5
89.02328	15.7
89.40417	2.2
99.00702	2.8
101.02330	21.7
103.03896	15.3
113.02364	3.5
119.03395	8.7
125.02328	11.5
127.03945	2.6
132.59259	2.1
143.03397	3.8
163.06013	17.4
205.07112	4.6
211.13234	2.7
235.17000	100.0
236.17375	5.2
247.08176	6.0
262.38907	2.6
307.10397	7.0
307.19156	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	602.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
59.01250	5.1
67.64094	0.9
68.99689	2.3
69.62939	2.3
69.63345	5.2
70.40785	1.0
71.01258	4.5
89.02332	1.5
97.28856	1.0
101.02313	3.4
113.02347	1.4
118.02907	2.0
129.20901	1.1
149.02354	1.7
150.03062	1.3
162.12607	1.3
171.32948	0.9
177.04219	9.1
178.65077	1.0
179.07051	1.5
190.04951	1.7
190.12212	1.7
195.06497	1.3
204.13930	2.1
208.13350	4.1
209.03256	2.8
218.67563	1.1
222.15010	2.1
234.15033	1.8
260.12952	1.6
288.12442	27.0
289.12723	2.7
306.13474	51.5
307.13803	3.2
366.15552	1.1
380.17203	14.5
381.17233	1.3
535.48706	1.3
542.22443	35.5
543.22949	5.7
554.22137	1.6
602.24536	100.0
603.24933	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	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.3
63.74271	0.5
71.01244	2.0
85.02817	1.8
87.00757	100.0
88.00279	15.1
88.00845	0.6
88.01119	1.6
89.02333	2.1
101.02327	1.8
113.02347	2.5
119.03443	0.5
140.35216	0.6
161.04445	0.8
169.42227	0.6
171.10193	0.7
179.05553	0.8
197.11804	0.8
230.01324	0.8
277.21732	32.2
278.22113	2.1
296.96185	0.5
309.20825	0.5
323.09775	2.0
341.10883	0.9
439.28476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
58.00457	2.9
59.01252	44.7
60.65496	0.8
67.42208	0.8
68.79932	0.7
69.03320	2.4
71.01254	58.8
72.99174	4.0
73.02818	11.1
75.00732	6.1
78.95785	1.0
81.03326	1.3
83.01263	13.8
85.02825	18.6
87.00750	69.0
89.02319	45.8
95.01246	4.9
97.02836	2.5
97.06448	1.1
99.00748	3.2
99.04370	0.9
101.02325	34.4
102.02651	0.9
111.00746	1.9
113.02333	41.7
114.02628	1.0
115.03892	2.5
119.03392	13.0
125.02306	2.3
129.01830	2.5
131.03398	5.0
139.07504	0.9
141.01823	4.7
143.03407	11.0
149.04416	1.6
159.02829	1.7
161.03192	1.2
161.04471	15.7
164.71533	0.8
171.10136	2.0
179.05540	19.6
186.25816	0.7
207.78334	0.7
211.13255	1.5
218.66794	0.8
228.25731	0.7
229.79561	1.0
255.21144	1.0
261.22168	1.2
263.23761	1.2
273.22134	3.8
277.21725	100.0
278.22134	8.5
289.21793	1.0
291.19998	1.8
291.23282	27.7
292.23624	2.8
301.21582	2.8
319.22784	9.1
323.09808	15.9
324.09961	0.9
331.22742	1.3
341.10880	53.8
342.11276	3.1
349.23517	1.4
373.24188	0.9
429.19949	0.8
561.51941	0.8
601.30078	0.9
601.37762	12.8
602.37683	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	598.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.4
70.78406	3.2
71.01261	4.3
71.57399	2.9
71.57813	6.6
78.95795	9.1
80.96246	3.1
82.95297	15.3
84.00785	100.0
84.95016	13.3
100.58902	3.2
127.54423	3.7
152.99490	7.4
182.15596	3.6
197.08806	3.6
253.09207	8.7
276.61292	3.5
277.21774	30.8
298.98022	3.5
299.67856	3.7
366.04395	3.4
381.18890	3.5
394.19513	3.8
538.27448	4.5
583.68915	4.2
598.29938	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	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18978	0.3
52.55898	0.3
54.73863	0.3
55.01764	1.3
57.03331	2.1
58.00468	3.3
59.01253	71.0
60.01579	0.6
69.03332	0.7
71.01256	61.8
72.01582	0.7
72.99183	4.3
73.02821	3.8
73.48202	0.3
75.00755	0.7
81.03296	0.3
83.01267	6.3
85.02829	9.9
87.00300	0.3
87.00757	17.4
89.02322	58.8
90.02667	0.8
94.45173	0.3
95.01260	3.2
97.02837	1.3
98.19743	0.7
99.00769	1.2
99.04372	0.5
101.02329	30.5
107.03374	0.4
111.00744	0.7
113.02339	28.3
113.51006	0.3
114.02689	0.8
115.03875	0.8
117.01860	0.4
119.03397	22.3
120.03708	0.5
125.02338	1.2
127.07546	0.4
129.01848	1.0
131.03413	2.5
141.01889	1.5
143.02350	0.6
143.03416	8.3
149.04443	1.5
155.03413	0.4
159.02849	0.8
161.04475	8.3
161.50871	0.3
168.47104	0.3
179.05539	19.1
180.05838	0.3
203.05643	0.3
259.20627	0.3
273.22223	0.9
275.20157	0.5
277.21722	100.0
278.22052	9.7
291.23334	6.6
292.23608	0.9
301.21707	1.3
319.22784	3.0
320.22968	0.4
323.09833	10.8
324.10284	0.7
341.10889	38.0
342.11163	2.7
349.23761	0.5
392.21863	0.3
601.32343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64732	0.3
58.02845	0.3
59.01249	3.0
59.91936	0.3
61.98704	0.5
69.50472	2.8
71.01257	2.1
75.00745	5.2
80.04928	0.3
81.03334	12.3
82.87122	0.3
83.04899	36.4
84.05218	1.1
85.02823	0.9
87.61996	0.3
89.02323	1.0
96.95916	0.4
97.83584	0.3
98.20525	0.7
100.07560	5.2
101.02314	1.2
108.04460	0.4
108.93475	0.4
113.02345	1.0
116.21984	0.4
119.03406	0.4
119.04871	0.5
122.46110	0.3
125.02325	0.4
125.07076	0.4
126.05502	0.9
127.03941	0.5
143.03378	0.4
145.02824	0.5
145.04907	0.3
161.04585	0.4
165.05415	0.4
199.13341	3.6
199.18079	6.4
207.14867	0.7
224.17661	0.8
225.16035	8.3
243.17105	20.2
244.17473	1.0
269.15131	1.0
284.03336	0.4
309.21860	1.4
353.20819	6.4
397.13608	1.7
415.14566	0.7
433.32300	0.5
451.32724	1.8
462.16800	0.7
469.33951	11.5
470.34311	1.8
521.32849	0.4
553.39972	0.5
579.37732	2.8
597.38708	100.0
598.39032	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	598.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	15.4
59.01256	13.1
61.98695	3.3
67.07063	1.7
69.55323	13.9
71.01247	8.6
72.97410	2.6
74.02348	27.9
81.04453	2.1
82.02857	3.2
83.01265	2.0
83.62393	1.8
85.02805	2.8
86.02361	11.1
86.05954	1.8
87.05517	4.7
96.95852	2.0
97.03978	2.8
99.05524	21.3
100.00305	2.3
101.07098	3.1
102.05472	4.0
104.33924	1.7
109.03951	7.0
112.03941	3.3
113.02322	2.7
113.03425	2.6
123.05553	1.9
125.03454	4.4
127.05025	4.7
128.03433	69.5
129.03870	1.9
135.05522	5.8
137.07092	2.4
141.06650	2.6
143.04536	97.9
145.06117	2.5
146.04503	11.3
151.03839	1.7
153.06587	4.2
156.89584	1.9
166.09792	3.2
167.04489	3.1
167.08163	6.4
170.03236	3.1
171.10172	6.7
172.17216	1.7
179.04553	26.3
181.06190	2.5
185.05553	3.4
188.32637	1.7
192.07787	2.7
197.05679	3.9
209.11778	7.0
210.08804	20.2
228.10037	2.1
254.07823	52.3
254.10255	1.9
255.08121	3.9
272.08896	100.0
273.09167	6.3
291.19669	1.9
325.18689	4.1
344.46786	1.8
469.23999	4.4
580.26965	3.1
598.28070	23.5
599.28320	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	597.3044
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
54.49452	1.3
59.01255	2.4
71.57418	1.9
78.95779	68.2
95.22105	1.5
96.03735	1.4
96.96841	12.6
110.19083	1.3
121.21106	1.5
152.99496	100.0
153.99757	1.8
160.31633	1.6
166.86548	1.4
171.00526	3.3
188.76283	1.5
223.00087	8.7
241.01126	22.8
281.24863	65.9
282.25134	5.1
315.04855	18.3
333.05814	2.9
427.26630	1.4
597.30475	74.4
598.30579	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04578	0.4
59.01255	2.1
61.98698	0.5
71.01249	1.5
71.58358	0.8
79.95609	1.0
80.96394	1.3
81.95184	0.5
82.95984	0.6
85.02823	0.6
91.71150	0.4
99.92467	0.5
101.02332	0.8
110.04380	0.4
113.02341	1.0
116.92735	0.6
117.03352	13.9
118.03694	0.5
119.04918	23.7
121.02857	1.1
123.04422	0.4
145.02859	100.0
146.03200	3.7
163.03920	17.7
164.04228	1.0
172.59741	0.4
178.28366	0.4
200.79190	0.4
258.95886	0.4
269.21234	1.8
287.19376	0.7
287.22308	8.6
288.22546	0.8
300.34900	0.5
415.24863	1.6
433.25952	67.4
434.26303	9.6
465.41882	0.5
475.27005	1.7
501.63034	0.5
595.26135	3.9
596.26819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55061	0.6
57.03328	1.2
59.01241	1.9
68.99691	1.9
69.03311	1.6
69.38554	6.2
71.01253	2.7
71.10090	0.6
73.02824	1.3
75.00758	1.8
81.03334	7.3
83.01248	6.5
85.02828	3.0
87.18189	0.6
93.03339	6.0
95.01271	2.3
95.04906	4.9
95.39996	0.6
97.02836	5.1
98.02352	0.7
99.00776	1.1
99.04395	2.6
101.02322	0.9
107.04906	1.6
108.02058	0.9
108.22667	0.6
109.02848	2.7
109.06546	0.5
111.00790	1.0
111.04382	3.0
113.02335	2.3
119.04921	8.1
121.02852	3.4
122.03543	0.7
123.04408	16.9
125.02338	10.8
133.02988	0.7
133.06491	0.7
135.04414	4.3
137.02376	4.0
137.06009	7.1
139.03918	11.6
141.05487	1.1
147.04453	3.9
149.02374	1.8
149.05974	1.7
151.03931	4.6
151.07541	0.6
153.05455	0.9
155.03421	1.3
161.05988	1.7
163.03925	3.3
163.07555	1.7
164.04645	1.0
165.01869	2.0
165.05484	7.7
166.02640	1.1
167.03418	29.5
168.03802	1.0
173.05891	0.7
175.04041	0.9
177.05516	2.7
179.03453	7.1
179.07074	1.4
180.04082	0.9
181.05000	2.4
189.05544	7.9
191.03465	1.6
191.07007	1.0
193.05002	3.4
195.06709	0.7
197.04541	4.4
205.05005	1.0
207.02872	0.6
207.06587	2.8
209.04510	31.6
210.04779	1.4
218.26974	0.6
219.03015	1.0
219.06487	1.1
221.04474	5.1
223.06056	1.2
229.08693	1.4
233.04457	1.8
235.06079	1.8
239.05583	12.7
251.05609	5.3
263.05652	2.2
269.06595	1.8
273.07721	3.9
281.06653	1.5
285.07730	1.6
293.06836	0.9
314.08096	0.7
315.05051	1.0
315.08737	18.6
316.09006	1.5
327.08673	9.2
328.09152	1.0
329.10165	0.8
339.08539	0.7
341.10416	1.1
343.86746	0.7
345.09763	8.0
346.14053	0.6
355.08340	0.7
357.09796	100.0
358.10074	11.2
369.09741	4.1
370.10318	0.9
371.11215	0.8
387.10861	79.2
388.11270	7.3
399.10764	4.5
417.11908	25.1
418.12201	2.1
429.11823	2.0
441.11862	0.9
447.12534	0.8
459.13037	9.4
460.13361	0.9
471.13095	1.0
477.07800	1.2
477.14066	13.6
478.14224	1.7
489.14093	5.2
490.14252	0.8
507.15204	1.9
579.17517	1.3
597.17944	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	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
62.96271	0.7
63.32241	0.7
64.75936	0.7
69.32529	7.4
69.60809	0.7
78.95777	63.4
93.72305	0.7
96.96833	14.1
98.20630	0.9
150.97989	1.2
152.99495	100.0
153.99850	0.9
171.00555	2.6
171.58412	0.7
183.79967	0.6
223.00072	11.2
241.01151	26.6
259.02240	1.4
279.23288	66.8
280.23575	8.1
305.48965	0.8
315.04904	15.5
333.05759	1.2
442.85788	0.7
595.28882	74.5
596.29059	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	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.68254	0.6
54.39041	0.8
59.38741	0.6
69.72878	0.7
71.34300	1.7
78.95776	86.4
81.88758	0.6
84.17381	0.7
95.71539	0.6
96.96842	17.0
152.99489	71.3
153.99852	1.3
183.13809	1.7
223.00032	2.6
231.67369	0.7
241.01155	36.0
242.01421	1.1
279.23285	72.1
280.23657	7.2
315.04834	12.8
316.04919	0.7
339.77490	0.7
373.93982	0.7
380.30771	0.7
415.22729	7.1
416.22910	0.9
416.73593	0.8
433.23651	2.1
595.28900	100.0
596.29260	15.1
602.75409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91441	4.4
55.95741	4.7
59.01253	60.1
71.01250	10.0
73.02821	7.2
78.95800	5.4
81.77394	4.2
83.52396	4.8
85.02849	9.5
87.04395	100.0
89.65054	4.5
93.60443	5.1
96.95902	4.6
112.67390	4.2
229.82446	4.8
509.25873	22.4
515.87799	6.1
551.26965	46.4
552.27185	8.7
595.30200	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	595.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.2
58.00459	3.4
59.01248	16.7
69.24672	3.8
69.25097	6.6
71.01263	14.6
72.99169	2.0
73.02814	2.4
75.00746	2.4
75.57283	0.8
83.01274	1.2
83.05374	0.8
85.02820	5.8
85.06485	0.8
87.00748	3.2
89.02311	9.1
93.03331	1.7
95.01260	1.3
96.95901	1.2
99.00768	1.8
101.02324	9.9
111.00748	1.3
111.98057	0.8
113.02346	6.0
119.03412	2.3
119.04914	3.6
121.02840	3.3
125.02345	2.6
137.56760	0.9
161.04471	3.1
165.01765	1.0
165.12790	2.3
179.05495	2.1
179.14276	1.4
183.13809	3.1
185.15353	1.3
195.13860	1.9
197.15376	2.4
205.04427	0.9
205.12277	1.5
209.04491	2.0
211.13351	19.6
212.13736	1.4
213.14912	35.0
214.15164	1.6
221.11752	1.0
223.13329	8.4
225.14842	1.2
235.13383	3.6
239.12936	1.1
241.14423	100.0
242.14714	6.4
243.16037	2.9
247.13402	1.2
251.12888	5.8
253.09267	23.0
253.14362	7.9
254.09837	1.2
255.03149	1.1
259.13306	4.1
259.15714	1.3
264.46750	0.9
267.07248	1.9
271.05981	1.1
277.14468	3.4
284.24777	0.9
313.07315	1.0
346.61798	0.9
355.08252	5.0
385.09280	4.1
415.10184	1.4
447.22488	1.3
475.12405	1.8
477.23425	38.6
478.23773	4.2
487.21695	2.1
489.23398	3.5
505.22372	1.6
513.23193	2.5
529.22662	1.6
595.15515	2.3
595.23541	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	595.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.6
59.01251	32.1
69.62453	1.6
71.01241	10.9
73.02814	3.1
82.28415	1.7
85.02831	4.1
86.50842	1.8
87.00744	4.4
89.02325	6.9
95.01278	2.3
98.20647	4.3
101.02346	8.8
108.02071	3.5
109.02845	2.6
111.00726	2.7
113.02323	4.9
115.00241	4.6
119.03400	2.1
121.02908	2.4
123.00762	6.9
123.04348	4.1
123.08045	4.6
124.01520	4.5
136.01599	3.7
147.04427	3.3
151.03870	4.4
160.05272	2.9
163.03902	4.4
164.52087	2.0
175.02393	8.6
175.07686	2.4
177.05432	2.2
183.13844	3.1
187.04005	2.7
188.04706	6.5
189.64078	2.1
191.07477	1.9
202.25275	2.0
203.07088	3.8
211.13362	8.0
213.14899	17.8
217.44659	2.0
223.13274	3.8
230.22150	2.5
237.11288	7.7
240.47997	1.9
241.14407	48.7
242.14668	2.5
251.12941	3.4
253.09222	11.6
253.14392	3.5
259.13306	2.1
276.17078	1.8
277.14508	2.0
298.08398	9.0
313.10754	31.3
314.11182	4.1
325.10876	3.9
343.11902	8.6
358.10474	5.6
373.12885	100.0
374.13409	10.1
403.11456	4.4
447.21994	2.2
477.23242	25.1
478.23453	3.0
489.23187	2.7
505.22910	2.0
573.04803	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	595.1672
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
65.00188	1.6
69.03319	1.6
70.33823	3.1
71.01250	3.0
73.03971	0.9
78.34831	1.1
79.01759	2.7
81.03329	2.8
83.01263	4.8
87.18320	1.0
92.38097	1.1
93.03336	9.8
93.68112	1.0
95.01257	1.7
95.04878	1.4
97.02847	6.1
107.01269	9.6
107.04874	1.9
109.02839	4.2
111.04386	3.3
113.02309	1.9
113.03448	2.2
114.01871	1.7
117.03334	2.7
119.04916	54.1
120.05243	1.7
121.02846	4.7
123.00774	2.6
123.04433	3.2
124.54496	1.1
125.02327	12.1
131.04512	7.3
135.04407	4.6
136.01570	1.5
137.02342	7.0
139.03917	8.5
142.85263	1.3
143.04927	6.9
145.02873	8.7
147.04387	3.7
149.02342	7.1
150.03104	2.5
151.00310	6.3
151.03906	2.7
158.20866	1.1
159.04453	1.5
161.02383	1.8
161.06020	2.7
163.00267	2.7
163.03908	5.0
165.01839	7.5
167.03409	11.3
175.04033	1.7
177.01866	9.3
178.02531	1.3
179.03397	4.3
181.04932	1.2
185.05968	2.3
187.03929	8.2
190.02576	1.3
191.03374	5.7
193.01390	11.7
193.04938	1.3
197.04428	2.6
199.07515	2.6
204.00575	1.8
205.01353	8.8
206.02098	2.2
207.02953	4.7
209.04427	4.5
219.02913	4.9
221.04477	1.6
223.02536	2.8
227.07024	4.4
233.04591	1.3
235.02470	16.7
239.05423	1.8
249.04024	2.6
261.03931	1.5
265.03464	5.9
265.08704	2.1
269.08353	1.8
271.06104	6.6
283.06149	2.2
283.09680	1.3
313.07187	20.9
325.07129	7.2
343.08231	7.7
355.08224	100.0
356.08569	11.4
367.08124	3.9
385.09262	86.6
386.09570	7.7
397.09491	5.3
415.10309	27.7
416.10657	3.0
427.10007	3.3
457.11325	14.0
458.11795	2.3
475.12460	47.4
476.13049	5.4
487.12531	7.4
488.13654	1.1
505.13440	14.1
506.13907	2.6
577.15668	5.7
595.16675	90.7
596.16943	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	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94033	3.7
56.13489	4.2
59.01250	100.0
71.01264	18.9
71.38302	4.8
71.38649	5.2
73.02798	4.8
78.30645	4.0
83.01225	5.7
85.02847	7.1
86.83857	3.9
101.02327	6.4
113.02359	15.1
123.82719	4.0
167.59949	4.1
172.13406	4.0
345.29608	5.1
489.34372	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	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73569	0.4
57.03318	0.7
58.63969	0.4
59.01254	23.3
61.98683	0.9
71.01256	1.0
73.23906	0.5
74.07166	0.5
78.95775	10.0
80.96391	1.6
82.95979	0.5
85.54241	0.4
97.06482	0.4
98.20596	0.8
113.09589	2.5
113.96399	0.5
117.03337	0.7
119.04866	0.5
119.24416	0.5
145.02835	3.1
152.99495	3.1
168.04187	2.7
177.12764	0.6
179.14340	1.4
181.12267	0.8
195.13843	20.2
196.14194	1.3
201.83037	0.4
224.06860	1.3
224.82541	0.5
242.07988	4.2
277.21744	15.8
278.22037	1.7
295.22781	100.0
296.23151	9.6
309.24194	0.6
449.23071	1.6
520.30450	55.0
521.30743	8.7
594.26428	2.9
595.32013	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.3
59.01252	100.0
60.01582	1.3
71.01257	15.8
72.01572	1.4
73.02821	3.5
78.95774	1.7
81.42119	1.4
83.01272	2.4
85.02822	10.7
89.02333	2.1
95.01257	1.8
97.02863	1.5
101.02343	7.7
113.02324	8.6
125.09618	2.2
161.04503	3.2
187.09750	1.7
205.39476	1.3
213.18591	1.8
344.01895	1.3
345.30237	3.0
485.50461	1.5
489.34317	54.2
490.34650	9.5
507.35336	29.4
508.35916	4.7
549.36469	4.2
558.04456	1.6
565.49066	1.5
593.27740	2.1
594.30585	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13121	2.6
54.15112	3.3
57.03317	4.5
59.01250	100.0
71.01249	15.2
73.02821	4.6
75.00738	3.3
82.40671	3.2
83.01273	4.0
85.02832	12.8
89.02329	3.3
101.02329	10.2
113.02322	8.9
117.57473	3.1
118.23425	3.0
121.35564	2.8
124.01543	2.8
153.13165	3.2
213.18556	3.2
230.18221	3.3
345.30371	4.4
489.34375	47.0
490.34393	6.7
507.35507	23.7
508.36011	4.5
599.18768	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	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.6
59.01255	100.0
71.01264	21.1
72.34805	4.8
73.02847	5.7
74.05875	6.2
78.67435	5.3
82.95358	5.5
85.02859	8.7
89.02315	13.6
94.52863	4.9
97.06490	6.1
98.20593	11.7
101.02346	9.8
110.29105	5.3
113.02330	17.2
150.95409	4.5
297.69437	5.3
342.02515	5.5
361.92810	5.4
489.34567	9.6
593.35699	6.8
594.30701	7.3
602.11914	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72983	2.2
78.95774	77.2
96.96833	13.7
98.60457	2.4
121.23154	2.2
127.62059	2.1
137.53490	2.1
149.12959	2.0
152.99484	100.0
153.99780	2.2
223.00015	9.1
229.78340	2.7
241.01180	31.2
251.29161	2.6
271.50647	2.3
277.21716	54.2
278.21893	4.6
315.04904	20.6
543.88959	2.4
593.27332	91.5
594.28052	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	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88713	2.2
57.03318	2.6
59.01255	100.0
61.98682	3.7
69.35644	2.3
71.01269	14.9
72.99159	2.7
73.02827	6.5
78.90405	2.5
80.96393	6.0
82.96017	2.9
83.01245	3.5
84.97297	2.6
85.02821	7.9
87.00737	2.5
88.03954	2.4
88.98680	4.8
89.02332	5.9
91.63004	3.0
98.19780	5.6
99.00790	2.5
101.02315	8.7
113.02345	6.1
114.01846	2.4
127.73818	2.1
161.04448	3.6
193.56001	2.3
213.18666	3.1
220.44437	2.6
222.83063	3.2
248.65741	2.2
271.76074	2.6
345.30078	4.2
419.43799	2.7
463.41327	2.6
489.34436	23.0
490.34760	3.0
507.34943	4.7
593.25635	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	36.9
65.25258	0.7
71.01264	1.2
78.95779	75.9
85.02811	0.8
96.96842	14.0
101.02331	0.8
111.06126	0.7
150.97858	1.0
152.99495	100.0
153.99834	1.0
158.14113	0.7
160.69748	0.7
171.00531	2.8
223.00102	10.2
241.01149	30.1
242.01343	0.9
259.02127	2.2
277.21729	51.5
278.21973	3.7
292.63693	0.7
304.82022	0.7
315.04858	17.5
316.05203	0.7
333.05917	1.6
344.08182	0.9
413.20755	1.6
438.79175	0.8
479.07642	0.7
593.27313	84.3
594.27661	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	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
59.01257	4.6
61.98706	3.0
63.96108	1.0
69.03320	0.6
71.00890	0.7
71.01252	7.3
71.57581	0.5
72.99194	0.5
73.02824	1.8
78.91153	0.4
78.95795	0.8
78.98463	5.0
79.95112	0.7
79.95610	33.0
80.96394	62.1
81.03320	0.5
82.95947	0.9
85.02818	3.1
87.00742	2.4
94.97968	14.3
96.95902	1.5
97.02823	1.3
99.00769	0.6
101.02345	2.7
106.97981	2.8
113.02367	0.6
113.62695	0.5
122.97475	3.7
125.02373	2.9
127.03957	0.9
127.06047	0.5
128.99014	0.5
134.97490	4.9
136.99048	1.7
148.99040	5.0
152.98537	5.9
161.04497	1.7
164.98557	10.2
182.99596	0.5
195.13779	0.5
196.84233	0.5
206.99664	3.1
225.00681	14.4
226.01039	0.8
241.00282	1.9
248.04941	0.5
271.01297	0.5
278.48523	0.5
299.04437	3.8
315.03922	0.9
341.05429	0.9
371.06631	2.4
385.08096	1.5
399.09613	1.1
413.11215	1.3
441.14380	0.6
455.15323	2.3
495.18936	1.4
518.00195	0.5
523.18567	0.8
524.19104	1.1
548.22089	0.5
593.26324	100.0
594.26666	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	593.264
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.88483	0.5
59.01253	6.3
61.98700	1.2
63.96109	0.9
64.86089	0.5
70.33037	1.9
71.01255	6.8
73.02824	2.0
78.95774	0.5
78.98467	5.0
79.95612	33.7
80.96394	58.4
81.03329	0.8
83.01308	0.7
85.02834	3.2
87.00757	1.9
94.97966	13.0
95.01263	0.6
96.95914	1.6
97.02840	1.2
101.02311	2.3
106.97981	2.5
111.42095	0.6
113.02348	0.8
122.97481	5.8
125.02354	3.1
127.03877	0.6
134.97496	4.4
136.99023	0.8
148.99048	4.7
152.98552	5.7
161.04477	0.8
164.98555	9.3
179.00179	0.7
182.99615	1.9
188.98489	0.5
195.13922	0.6
197.01253	0.5
206.99545	2.9
225.00720	15.8
226.00957	0.7
241.00307	1.3
243.01773	2.3
299.04468	2.9
315.03833	0.9
362.35162	0.5
371.06641	1.8
385.08441	1.2
399.09665	1.4
413.11276	1.5
429.78082	0.5
441.13947	0.5
455.15747	2.0
495.19034	1.5
518.28687	0.6
519.28992	1.2
523.18146	0.8
593.26379	100.0
594.26740	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	593.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80857	0.4
57.03032	0.4
57.03312	1.6
59.01250	5.6
71.01246	3.4
72.99173	1.4
73.02840	0.7
75.00737	2.3
83.01244	0.6
85.02814	3.6
87.00764	0.8
89.02318	1.2
93.03358	0.6
96.61658	0.4
96.95878	2.0
99.00742	1.3
101.02328	1.6
108.25986	0.4
108.94707	0.4
113.02298	2.3
117.01830	0.5
119.04922	0.7
121.02851	2.7
122.03552	0.5
123.04422	0.8
124.01550	0.6
125.02303	0.8
129.01820	0.4
135.04388	0.6
135.21872	0.5
136.05148	0.6
137.02327	1.4
138.03139	0.6
138.08937	0.4
139.00301	0.5
139.03969	0.6
143.04573	0.8
143.94592	0.5
145.02882	2.4
147.04424	1.9
151.03885	1.1
161.02396	0.5
161.05949	0.6
162.03143	0.8
163.03915	5.4
164.04236	0.5
164.79147	0.4
165.01857	1.4
167.03409	0.6
171.10179	1.0
173.02443	0.7
174.03104	2.9
175.02544	0.7
175.03917	15.0
176.04639	3.4
177.05482	1.7
179.03349	0.8
180.04198	10.7
181.04779	0.9
188.04695	3.0
189.05499	6.1
190.06284	19.2
191.07063	13.6
192.07365	1.0
193.04993	9.7
194.05768	4.9
203.07072	2.0
205.08640	16.4
206.08998	0.6
207.06615	4.0
208.07350	11.0
208.29884	0.4
209.07764	0.8
209.11813	0.8
211.13281	0.9
222.08859	0.9
223.09738	1.3
227.03430	1.1
229.14386	0.9
229.67216	0.7
232.58389	0.5
249.06146	0.8
255.02971	2.7
283.02631	0.6
284.03210	3.2
285.04041	1.2
299.01913	1.5
306.07727	0.6
314.04282	0.9
325.78848	0.5
329.10178	0.7
343.21347	2.3
344.12708	2.6
345.13229	0.7
353.10074	0.5
359.15002	100.0
360.15305	11.7
371.11209	0.6
389.16284	0.9
408.42410	0.5
431.17163	0.5
546.28046	0.5
575.27380	0.7
593.15063	3.2
593.28156	11.0
594.28265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01759	1.5
56.92845	1.1
57.03326	2.0
58.00491	0.9
59.01251	25.7
65.00218	1.5
71.01252	19.9
72.99177	4.6
73.02819	11.5
75.00745	5.7
83.01241	5.0
84.56814	1.0
85.02824	9.0
87.00772	2.4
89.02336	4.6
95.01260	2.9
96.95888	3.8
97.02834	1.5
99.00766	3.9
101.02325	9.8
108.99232	1.0
113.02322	10.1
117.01807	1.6
119.03380	1.5
119.04899	1.0
128.03448	1.1
134.03632	1.9
135.41989	1.0
137.02359	1.4
138.03169	1.2
143.03407	1.5
143.04594	1.2
145.02827	1.9
151.00267	6.7
159.04408	1.3
161.04443	2.4
165.01820	2.3
171.04509	1.6
171.10143	1.7
175.02457	1.2
175.03905	2.2
178.99773	3.0
183.04466	4.2
185.02379	1.2
187.03929	2.4
189.05508	1.2
193.04996	2.8
199.03897	7.5
201.01929	1.3
203.03479	1.8
205.05008	1.4
211.04004	1.4
215.03436	5.1
216.03685	1.4
220.07295	1.6
227.03452	10.0
229.14417	1.9
242.02087	7.0
243.02954	36.5
244.03395	4.1
249.06142	2.3
255.02956	16.9
256.03381	1.4
257.04504	6.1
267.07233	2.9
270.01755	5.1
271.02484	49.8
272.02966	5.4
283.02396	1.3
284.03275	6.0
285.04047	15.3
286.04724	3.8
287.05765	1.8
299.01959	78.7
300.02609	20.9
311.09064	1.4
313.03531	2.1
314.04321	97.8
315.05051	48.1
316.05383	3.0
343.21222	3.7
371.15012	11.5
372.15430	1.2
414.45056	1.2
533.20117	1.4
549.28870	2.4
575.27087	1.2
593.15118	100.0
593.28033	20.8
594.15350	16.2
594.28369	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.0
60.57594	0.3
63.02278	0.8
65.00193	1.0
69.43590	0.6
69.43993	2.1
83.01257	1.1
85.02817	0.5
91.01766	0.4
93.03335	1.1
101.02326	0.3
107.01266	2.6
109.02834	0.4
117.03382	0.3
121.02922	0.3
125.02368	0.7
132.02081	1.1
135.00789	1.4
137.02321	0.4
143.04935	0.5
151.00264	3.6
153.01814	0.8
154.04092	0.4
159.04448	0.7
161.14371	0.3
163.00323	1.4
164.01082	0.5
165.01854	0.5
165.51016	0.3
167.04968	0.4
169.01376	0.5
169.06577	0.5
171.04427	0.7
175.03963	0.4
178.99757	0.3
183.04417	1.3
185.02457	0.4
185.06044	1.8
187.03944	2.1
189.05482	0.5
190.99791	0.4
192.00470	0.3
195.04533	0.4
199.03957	0.9
200.04771	0.5
211.03949	1.8
213.05511	1.2
227.03459	46.4
228.03841	3.5
229.05008	5.6
230.05411	0.4
239.03464	1.6
240.03900	0.4
241.05023	1.1
255.02982	85.7
256.03513	10.1
257.04529	4.1
258.05042	0.3
283.02536	1.4
284.03262	100.0
285.03986	43.8
286.04388	3.2
297.04529	0.3
327.05005	2.2
593.15118	95.4
594.15454	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	592.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01254	31.2
61.98700	4.2
63.99146	0.7
71.01250	2.4
71.01605	0.7
73.00418	0.6
73.02845	1.0
74.86884	0.6
78.95780	13.2
79.95610	2.0
80.96387	7.6
81.06226	0.6
85.02834	1.1
87.00775	1.1
94.97953	1.7
96.95862	0.9
100.84076	0.6
101.02342	0.7
113.02345	1.0
117.84591	0.6
122.78432	0.6
125.02328	0.9
134.97502	0.7
138.20111	0.7
152.99556	4.3
161.42093	0.7
164.37257	0.7
164.98546	1.2
168.04224	2.2
169.12152	0.7
179.14287	1.3
189.61696	0.7
195.13835	10.6
196.14354	0.9
205.12283	1.1
211.13371	1.2
223.13344	10.6
224.06882	1.7
225.00714	1.6
229.80399	0.9
242.08020	6.2
249.18393	0.7
275.20123	5.5
293.21231	100.0
294.21600	10.2
307.22888	1.3
321.96799	0.7
390.36337	0.7
447.21497	2.6
464.25793	0.7
475.28918	1.3
516.41168	0.7
518.28876	69.6
519.29120	9.1
593.26221	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98575	0.4
57.03336	0.5
59.01254	1.5
63.02267	0.5
65.00195	0.5
71.37834	0.8
75.00759	0.5
83.01267	0.7
85.02819	2.5
89.02283	0.6
92.78705	0.3
93.70407	0.3
99.00789	0.5
101.02309	0.8
107.01282	1.5
113.02303	0.5
117.03358	0.4
117.47726	0.4
119.04900	0.6
132.02026	0.8
135.00815	0.8
143.04915	2.4
145.02873	0.5
147.04440	0.4
151.00293	2.2
157.06557	0.7
159.04456	0.6
159.08014	0.6
163.00255	0.6
164.01022	0.6
169.01350	0.4
178.99794	1.5
183.04465	1.2
183.08072	0.8
185.05978	4.2
187.03958	0.8
191.01913	1.3
199.04054	0.7
209.03023	1.1
211.03984	1.8
212.04468	0.4
213.05466	0.7
225.16902	0.3
227.03520	32.3
227.07066	42.4
228.03883	2.6
228.07393	3.3
229.04915	2.2
239.03471	0.6
241.05038	0.6
255.02985	58.9
256.03458	7.2
257.04480	2.8
257.56570	0.4
283.02405	2.1
284.03268	100.0
285.03946	33.4
286.04480	2.0
327.05453	0.5
369.11227	0.4
371.11313	0.7
389.12527	2.4
426.82584	0.4
429.08200	1.4
431.13272	3.1
445.94070	0.4
473.11050	0.6
593.15106	66.1
594.15454	12.0
619.24841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	2.4
57.03337	2.4
59.01252	100.0
71.01260	16.4
71.45454	3.4
71.83887	1.6
73.02827	3.4
83.01275	4.2
85.02814	10.2
89.02332	2.6
89.76909	1.6
93.06986	3.6
93.78674	1.9
99.00746	2.3
101.02325	9.3
113.02326	7.8
161.04451	6.9
190.55710	1.6
312.62015	2.0
357.22974	3.0
375.23929	5.9
487.32794	36.9
488.33078	4.4
502.32855	2.2
505.33725	16.9
547.35028	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03525	3.7
55.24378	3.2
59.01250	100.0
60.39019	3.7
70.83319	3.3
71.01253	22.9
85.02823	11.3
93.35671	3.4
101.02317	16.9
113.02312	11.2
121.67696	3.9
128.90044	3.9
137.42410	3.8
159.27486	3.9
161.04390	7.9
213.18622	4.5
229.75137	4.0
255.10242	11.7
375.24097	8.7
487.32617	44.3
488.33066	5.4
505.33856	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72056	0.3
55.82247	0.2
59.01241	1.7
61.98705	100.0
62.98391	0.3
63.13457	0.2
71.01262	0.7
73.02818	0.3
77.55547	0.2
79.95621	0.2
80.96386	2.2
85.02839	0.3
94.97993	0.5
113.02349	0.3
143.78242	0.2
209.11876	0.3
225.00653	0.4
229.75026	0.3
592.24792	0.7
593.26135	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01252	35.3
63.96107	1.2
69.03321	1.1
71.01250	12.3
73.02820	3.5
75.00716	1.7
77.18450	1.1
78.98460	6.8
79.95607	13.0
80.96391	76.4
81.03320	1.6
83.01283	1.2
85.02830	6.1
87.00734	2.0
89.02317	1.3
94.97958	15.3
95.01270	1.3
96.95885	1.8
97.02845	1.5
99.00724	1.5
101.02332	6.2
106.97977	3.4
113.02306	5.8
122.97458	6.6
125.02329	3.7
130.75113	1.1
134.97487	4.9
148.99072	6.7
152.98532	9.0
161.04517	1.2
164.98564	11.0
165.12701	1.7
171.10103	1.3
182.99635	2.5
206.99619	3.2
225.00710	16.5
243.01738	1.6
248.52020	1.0
253.09319	1.8
291.19669	3.7
299.04504	3.3
309.20682	3.9
313.88965	1.6
361.27197	1.3
487.32764	3.4
591.24817	100.0
591.33386	6.6
592.25122	15.3
618.00208	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
69.41777	2.0
69.42171	13.4
71.01257	16.1
72.99175	3.7
73.02822	5.6
75.00748	2.4
83.01254	3.3
85.02826	12.9
87.00751	2.9
87.95396	1.6
89.02327	4.6
93.06920	1.6
95.01257	3.0
96.95876	3.2
97.02821	1.7
99.00771	2.8
101.02332	12.1
104.04037	1.7
107.05559	1.5
110.20425	1.5
113.02336	9.4
121.02838	3.0
143.03532	1.9
161.04480	5.8
171.10193	2.1
180.52805	1.5
195.60893	1.7
201.11198	1.6
340.02539	1.7
375.23932	2.8
487.32794	20.9
489.34152	3.3
505.33929	11.3
591.34387	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	591.2481
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03304	1.3
59.01250	50.9
61.98690	1.1
63.96115	1.2
71.01250	9.5
71.13187	0.8
71.13533	1.5
73.02827	3.5
78.98461	5.7
79.95606	13.3
80.96391	70.9
81.03316	1.0
83.01256	1.1
85.02824	3.7
87.00743	3.2
94.97958	14.8
96.95889	1.4
97.02824	2.1
99.00741	0.8
101.02325	4.8
106.97958	3.2
113.02307	2.4
122.97460	5.0
125.02341	2.8
127.03892	1.0
134.97511	4.3
136.99084	0.9
144.99606	0.7
148.99054	5.6
152.98529	8.5
161.04480	1.6
164.98531	11.8
165.12804	1.0
182.99603	2.9
206.99641	2.6
225.00691	18.9
236.78596	0.6
239.81694	0.6
243.01736	1.3
291.19540	1.9
299.04352	2.8
299.07529	0.6
375.23734	1.9
471.33121	3.0
487.33032	1.1
489.34122	1.8
591.24774	100.0
592.25024	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	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.94498	0.7
55.87923	0.7
58.21245	0.6
110.69044	0.7
124.53598	0.8
126.33423	0.7
176.57164	0.7
209.80162	0.8
325.91080	0.8
429.16782	0.9
443.22656	1.7
445.19791	1.5
459.21686	1.8
471.21481	1.6
471.26340	1.4
472.22833	1.5
473.23227	1.7
482.21149	1.6
485.19730	2.0
487.24994	2.9
497.23392	4.1
499.21411	2.4
500.22174	11.1
501.22589	2.3
515.24530	100.0
516.24829	21.8
519.23749	1.1
559.23352	3.4
560.23706	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	591.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01250	50.9
61.98690	1.1
63.96115	1.2
71.01250	9.5
71.13187	0.8
71.13533	1.5
73.02827	3.5
78.98461	5.7
79.95606	13.3
80.96391	70.9
81.03316	1.0
83.01256	1.1
85.02824	3.7
87.00743	3.2
94.97958	14.8
96.95889	1.4
97.02824	2.1
99.00741	0.8
101.02325	4.8
106.97958	3.2
113.02307	2.4
122.97460	5.0
125.02341	2.8
127.03892	1.0
134.97511	4.3
136.99084	0.9
144.99606	0.7
148.99054	5.6
152.98529	8.5
161.04480	1.6
164.98531	11.8
165.12804	1.0
182.99603	2.9
206.99641	2.6
225.00691	18.9
236.78596	0.6
239.81694	0.6
243.01736	1.3
291.19540	1.9
299.04352	2.8
299.07529	0.6
375.23734	1.9
471.33121	3.0
487.33032	1.1
489.34122	1.8
591.24774	100.0
592.25024	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	591.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74281	0.6
59.01254	6.7
69.95573	0.7
71.01242	4.4
72.99208	0.8
73.02826	1.8
75.00748	1.4
85.02808	1.9
87.00758	1.5
93.03313	1.1
94.07372	0.9
96.95971	0.8
99.00760	1.0
101.02345	1.8
102.14977	0.8
108.02056	1.1
109.02847	1.3
111.00748	1.2
113.02329	1.9
121.02843	2.4
122.03625	1.6
123.00795	1.6
135.04477	0.9
136.01567	47.1
137.02382	8.5
149.02333	1.6
151.00317	10.0
151.03915	67.1
152.04485	2.5
159.04520	1.0
160.05173	1.4
162.03148	0.9
163.03777	0.9
166.02635	30.7
167.03157	2.4
174.06506	1.1
177.01811	1.6
177.05519	2.0
179.03391	0.8
181.04988	39.0
187.03937	0.8
190.06174	0.9
205.05104	1.4
208.43597	0.9
219.02467	0.8
228.69937	0.8
234.14574	0.8
235.13301	0.7
255.02725	1.0
267.06967	3.0
271.02356	0.9
281.77536	0.8
297.07880	0.8
328.11459	0.8
329.10333	2.4
341.13766	1.3
357.09811	13.9
357.13846	0.6
358.10120	1.5
372.12125	7.1
384.60046	0.8
387.14496	100.0
388.14740	9.6
467.93079	0.7
474.25217	0.7
485.56436	0.8
486.22733	0.7
547.27148	0.8
604.84119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.7
59.01250	52.3
70.96636	6.5
71.01256	30.5
72.99201	6.0
73.02818	8.0
75.00751	20.4
83.01268	4.9
85.02817	27.9
87.00765	14.4
89.02319	13.9
95.01267	5.9
96.95874	7.8
99.00765	9.7
101.02316	6.1
113.02333	29.5
119.04926	3.8
120.01199	3.6
121.02843	6.6
123.00809	8.0
125.02293	4.3
129.01872	4.9
134.03502	2.8
136.01573	58.7
137.02357	12.8
145.02875	4.3
151.00298	14.1
151.03923	74.3
159.04369	4.3
160.03958	7.1
160.05185	3.5
166.02621	33.1
167.03317	3.1
175.02510	3.7
175.04074	3.5
177.05505	4.1
181.04974	39.4
181.06363	4.6
213.35397	3.3
241.57376	3.1
249.06097	16.1
252.07819	5.6
255.02879	6.7
264.07800	5.4
267.07202	39.3
279.06528	4.0
280.07617	4.5
293.08234	12.4
315.27209	3.7
323.05823	3.6
323.09256	16.4
329.10574	4.3
357.09818	15.2
372.12042	5.9
387.14478	100.0
388.14709	6.7
455.12216	5.1
561.16138	12.7
573.16089	19.5
591.17157	18.2
591.26288	11.8
592.25909	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	590.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.0
57.03326	2.2
58.00463	6.3
59.01252	100.0
61.98695	5.8
70.02834	1.7
71.01252	62.8
72.99180	7.4
73.02820	3.2
83.01250	3.6
83.03702	1.5
85.02818	13.3
85.06429	1.7
87.00745	3.8
89.02316	80.9
89.54304	1.5
91.40046	1.8
95.01264	5.2
98.02364	2.0
99.00713	1.4
101.02325	43.4
108.08049	5.5
110.53790	1.8
113.02325	25.4
119.03392	39.6
122.79706	1.5
125.02386	1.7
126.09116	6.0
131.03384	1.9
135.08060	4.2
136.07440	1.8
139.49342	1.5
143.03389	6.5
149.04445	3.2
156.10109	2.4
156.68825	1.7
161.04431	6.3
165.12651	3.1
171.10066	1.6
179.05553	15.9
181.57333	1.6
183.13843	19.4
208.09258	1.6
209.11676	2.0
210.05931	1.6
225.22173	13.8
227.12946	2.5
236.14163	1.8
244.68396	1.7
253.21611	3.1
271.22705	6.5
277.21436	2.2
289.18051	4.6
296.25885	4.2
301.16452	2.8
307.19006	2.1
320.27802	1.6
324.25031	1.9
380.31485	1.4
392.31580	5.2
410.32764	44.6
410.44446	1.6
411.32742	3.9
428.33789	22.8
429.34097	2.8
473.33105	2.7
492.77975	1.7
573.34143	2.0
590.39142	43.8
591.39874	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	589.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
56.19212	0.5
57.03331	0.9
57.24038	0.6
59.01254	100.0
60.01600	1.0
61.98719	0.6
71.01248	4.6
71.58431	1.0
72.99183	0.7
73.02834	1.6
75.00753	1.4
83.01242	0.8
85.02837	3.2
87.00799	0.8
89.02332	1.2
95.01279	0.6
99.00791	1.8
101.02346	1.9
109.02865	0.5
113.02343	3.6
118.51254	0.5
124.30943	0.5
125.02340	0.5
135.18140	0.7
137.18196	0.5
161.04541	1.2
187.08762	0.7
211.13400	0.8
211.17091	1.2
249.06369	0.5
255.11429	0.6
267.07239	1.8
285.08981	0.9
291.19604	0.6
373.22449	0.8
469.31836	3.4
487.32736	1.6
497.28604	0.7
516.26721	0.6
545.33087	1.1
589.32501	6.3
589.40515	0.6
590.33154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.6
56.40336	0.7
57.03310	3.4
58.00473	1.2
59.01253	24.3
60.01576	1.0
68.99686	1.6
69.03329	1.8
71.01254	21.5
71.04874	1.4
71.57926	1.1
72.99174	6.5
73.02814	3.0
75.00346	0.6
75.00743	17.0
78.68027	0.8
81.03340	6.0
82.67820	0.7
82.95281	1.8
83.01273	2.5
83.04900	27.2
84.05182	1.1
85.02824	18.7
87.00748	6.7
89.02308	5.0
95.01244	5.0
95.04882	0.9
96.95889	5.0
99.00758	10.3
101.02326	3.2
103.00230	1.8
106.06513	11.1
109.02821	1.5
111.00776	1.2
113.02335	23.2
113.09622	1.3
114.09142	1.0
115.00238	1.5
115.07534	8.9
117.01820	2.1
117.03330	1.9
119.04861	1.6
121.05327	0.7
125.02328	1.1
127.03896	2.3
129.01804	1.0
132.95540	0.7
133.04871	0.8
135.04480	1.2
137.09601	1.1
139.07553	15.4
139.11151	1.2
145.02834	4.0
145.04915	1.7
150.05498	8.1
151.00296	1.1
156.10225	5.0
157.08615	14.7
158.11763	5.1
160.01524	1.0
163.03888	2.3
163.07610	0.8
167.94293	0.9
171.10196	1.1
175.02417	3.3
178.99748	1.2
180.13831	0.8
181.08609	3.0
181.12280	4.2
188.09084	1.1
190.06386	0.8
194.04500	1.5
199.09689	3.9
199.13396	2.7
205.07066	1.3
224.12796	3.7
231.04938	1.3
241.18974	0.8
242.13922	3.2
248.43719	0.9
249.06145	16.2
250.06529	1.0
253.05009	1.3
267.07217	7.7
284.03403	1.0
322.20236	3.2
340.21234	4.2
383.06540	0.8
395.09766	1.3
400.12430	6.6
443.22778	3.0
444.11310	2.2
492.20813	1.5
546.16296	2.0
572.26910	1.8
590.15912	3.1
590.28180	100.0
591.28186	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.1
59.01252	100.0
66.43360	2.8
69.03334	4.1
71.01254	19.6
71.33701	2.8
73.02827	8.8
75.00745	6.2
83.01227	3.9
85.02824	10.7
89.02312	16.1
95.56454	3.2
95.76976	2.8
98.20547	10.1
99.00767	5.1
101.02322	13.2
113.02347	17.2
119.03395	4.7
125.02341	4.4
135.26170	2.5
153.19775	3.3
156.14621	2.9
161.04488	6.0
171.10123	3.7
179.05609	2.8
229.86177	3.2
300.07132	3.0
373.22101	4.7
485.31299	12.1
503.32416	5.1
517.89478	3.2
527.27295	6.3
589.34802	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34007	3.0
54.64801	3.0
56.29367	3.2
59.01249	29.5
71.01254	8.9
85.02824	4.1
89.02303	3.8
101.02317	3.6
113.02335	7.4
122.74269	3.1
137.07803	2.8
158.58307	3.0
161.04404	3.4
195.13878	6.6
201.42239	3.4
253.09285	30.8
267.07217	5.9
275.20163	4.2
293.17987	6.8
293.21249	100.0
294.21588	9.1
324.85440	3.0
426.21829	3.7
447.68735	3.3
552.18829	3.2
589.31934	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	589.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.01254	100.0
60.01583	1.0
61.98734	0.7
71.01254	3.2
71.58102	0.5
72.99216	0.5
73.02825	1.0
75.00750	0.8
76.19431	0.4
78.95776	0.4
83.01275	0.4
85.02821	2.5
87.00761	0.6
88.77087	0.3
89.02340	0.8
95.01271	0.6
99.00787	0.9
101.02295	2.3
113.02323	2.6
124.90562	0.4
148.20486	0.4
161.04510	1.3
165.23134	0.4
171.10289	0.6
187.08743	0.5
201.95253	0.4
209.11923	0.4
211.17049	0.5
239.08299	0.4
249.06140	0.6
255.11467	0.9
259.10931	0.5
267.07324	0.8
285.09091	0.9
291.19812	0.9
293.21393	0.5
303.10251	0.4
325.27722	0.4
373.22382	1.1
374.22668	0.5
412.38507	0.5
455.26395	0.6
469.31708	3.8
470.31885	0.5
487.32895	1.6
497.28278	0.6
503.32898	0.6
516.28204	0.5
545.33405	2.0
589.32886	3.5
590.33337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
69.25481	3.1
72.99187	1.7
75.00748	100.0
76.01093	0.9
80.25962	0.2
93.60820	0.2
97.78268	0.2
277.21695	0.3
352.60822	0.3
590.49933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06183	0.3
59.01244	0.9
63.55057	0.3
72.99179	1.9
75.00746	100.0
76.01089	1.1
78.95770	0.5
89.02308	0.3
95.92049	0.4
98.19733	0.7
98.27048	0.3
101.02351	0.3
102.92239	0.3
130.16875	0.3
152.99493	0.7
180.04253	0.3
218.44978	0.3
233.94695	0.3
277.21823	0.4
279.23035	0.3
298.39307	0.3
362.42014	0.4
407.01529	0.3
443.73441	0.3
460.82138	0.3
504.88763	0.4
510.35001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48713	1.8
52.87379	2.0
59.01248	34.1
61.98696	4.4
63.67373	1.9
71.01246	5.4
71.12743	4.3
75.47378	1.9
78.95782	2.2
85.02802	3.1
89.02320	4.2
101.02316	6.6
113.02322	4.0
113.09605	2.9
119.03427	2.1
121.10144	2.5
130.99348	1.8
171.10228	8.9
183.13812	3.7
211.13408	2.4
223.40968	2.0
235.16884	3.1
253.09241	25.7
275.20160	14.5
276.20511	3.5
293.21252	100.0
294.21606	11.7
299.99286	1.9
470.16562	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.2
59.01252	100.0
60.01587	1.6
61.14448	0.9
64.85401	1.0
66.00979	1.0
71.01252	28.3
72.99193	1.4
73.02824	7.0
75.00758	1.8
81.74917	1.2
83.01276	2.6
83.04894	1.1
84.19077	1.0
85.02821	10.4
87.00780	2.3
89.02326	13.0
95.01273	2.8
95.04908	1.1
96.95370	1.3
96.95866	5.6
97.02860	1.5
98.19738	2.6
98.95489	1.7
99.00754	2.6
99.92464	1.7
101.02312	12.2
105.62441	1.2
113.02332	20.3
116.92747	5.4
119.03377	6.6
124.06639	1.0
140.68927	1.2
143.03383	2.0
161.04460	6.2
176.80162	1.2
179.05502	4.4
229.72162	1.3
255.02943	1.7
284.02975	1.2
286.18811	1.0
297.04047	1.4
373.22266	1.6
421.13031	5.8
467.29895	1.3
485.31299	17.2
486.31662	2.1
503.32269	9.0
504.32587	1.2
589.15918	1.3
589.26459	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00542	2.5
59.01250	100.0
65.85089	2.6
68.70863	2.6
71.00948	2.6
71.01266	27.3
72.99134	2.7
73.02803	4.3
83.01239	3.0
85.02816	11.7
89.02315	15.2
96.95889	6.2
101.02328	14.9
102.64582	2.5
113.02314	15.5
119.03345	5.3
161.04413	6.8
161.92023	2.7
179.05507	5.0
229.79640	2.9
421.12970	17.6
422.13263	3.1
456.08524	2.7
465.11401	4.4
485.31094	16.2
486.31485	3.3
503.32281	9.8
615.04736	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	589.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08573	0.8
53.26088	0.6
57.03312	2.1
57.39444	0.6
59.01253	18.8
59.37502	0.6
68.99684	1.2
69.03311	1.6
69.30669	6.7
71.01252	20.3
72.99189	6.3
73.02830	2.1
75.00750	15.9
78.60823	0.5
81.03336	0.8
83.01273	1.1
85.02823	21.3
86.03152	0.6
87.00754	7.3
89.02313	5.6
89.03843	1.3
93.03340	1.0
95.01259	5.5
98.20602	0.9
99.00767	11.5
99.04422	0.7
101.02305	1.1
103.00252	2.5
111.00763	1.0
113.02334	30.1
114.02660	0.6
115.00256	2.0
117.01901	2.8
117.03348	11.4
119.04922	23.0
121.02876	1.7
129.01825	1.8
132.02068	1.8
133.02824	2.8
134.03635	39.2
135.04329	2.1
137.02361	0.7
145.02849	32.6
146.03207	1.1
147.04387	0.7
149.05977	3.5
157.01321	1.8
160.01575	8.8
161.02315	2.2
163.03917	23.4
164.04251	0.8
175.02368	2.8
175.03925	12.8
178.02757	0.6
179.03427	1.7
191.63701	0.6
193.03471	1.9
193.04990	27.0
194.05331	1.7
195.55214	0.6
207.05040	1.1
219.06596	0.7
231.05099	1.2
237.07724	1.4
249.06100	17.2
249.08525	1.0
252.06342	1.1
253.07246	0.8
261.07687	0.9
267.07172	68.9
268.07529	2.9
333.09711	0.6
351.10916	3.9
381.12048	3.7
395.09738	6.0
413.10886	42.1
414.11292	3.9
425.10907	5.0
443.11942	100.0
444.12228	10.5
451.13867	0.6
589.15613	23.0
590.16309	3.0
590.28387	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	589.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.5
59.01250	36.2
65.20257	1.5
69.03320	1.9
71.01253	30.7
72.99176	7.4
73.02832	4.6
75.00751	22.7
84.98771	1.6
85.02827	27.6
87.00741	9.3
89.02318	8.4
95.01254	6.2
96.95889	12.4
98.20548	5.0
99.00765	14.2
101.02305	3.5
103.00247	5.6
111.00765	2.0
113.02333	44.3
117.01822	4.9
117.03356	12.1
119.04926	33.6
129.01854	3.0
132.00865	1.5
132.02042	5.4
133.02878	4.7
134.03639	45.0
135.04379	2.5
138.81192	1.7
145.02856	33.8
149.05959	4.7
160.01587	15.6
160.73393	2.2
161.02339	3.0
163.02666	3.4
163.03914	33.1
175.02528	4.3
175.03912	18.1
179.03355	2.2
181.19246	1.8
193.03391	2.9
193.05011	32.3
206.29050	1.9
229.79984	2.3
237.07669	1.9
249.06105	20.1
250.06413	2.1
267.07199	87.2
268.07553	3.9
351.10880	5.9
365.56458	1.8
381.11890	3.0
395.09766	5.0
413.10873	63.9
414.11234	7.1
425.10751	4.0
443.11935	100.0
444.12103	11.9
477.74573	3.1
589.15417	34.1
589.30054	2.1
590.16278	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	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03331	0.4
59.01254	54.5
60.01600	0.7
61.98726	0.5
70.35384	1.3
71.01254	7.6
71.53501	0.4
72.99213	0.5
73.02841	1.8
74.73068	0.4
80.75962	0.4
83.01280	1.0
84.16824	0.4
85.02833	2.7
87.00782	1.2
89.02313	5.4
95.01274	0.5
99.00794	0.8
101.02332	5.2
113.02341	5.1
119.03397	1.6
143.03394	0.8
148.08846	0.9
150.10408	0.8
151.11234	0.5
161.04520	2.1
162.04866	0.5
163.06068	1.9
163.11176	0.7
165.12776	14.3
166.13171	0.7
171.10243	1.4
179.05499	0.8
191.14447	0.5
197.11821	0.6
201.11316	0.6
205.07127	0.4
247.20654	7.9
248.21046	0.5
249.05939	0.4
253.09285	15.7
254.09657	0.7
273.18619	4.0
285.07806	0.4
291.19678	100.0
292.20016	10.0
385.69162	0.5
467.30145	4.3
468.30487	0.5
485.31201	1.2
558.54047	0.4
587.31403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75611	0.8
56.31617	0.7
57.03310	2.5
59.01002	1.1
59.01251	14.4
59.48819	0.7
67.59622	0.7
68.28115	0.6
68.99664	1.5
70.71974	2.6
71.00902	1.1
71.01254	17.1
72.99180	5.1
73.02811	1.8
75.00362	1.0
75.00752	16.1
83.01275	1.1
84.82211	0.7
85.02351	1.2
85.02828	19.8
87.00751	6.5
89.02322	5.2
89.03815	1.1
89.88441	0.7
91.03896	1.1
93.03320	1.5
95.01265	5.3
99.00761	12.4
101.02340	1.7
103.00231	2.7
113.02334	30.2
115.00266	2.2
117.01803	2.4
117.03357	14.0
119.04916	19.8
120.05179	1.0
121.02820	1.7
121.96391	0.7
129.01779	1.8
132.02055	1.4
133.02812	2.2
134.03635	48.3
135.04364	3.0
145.02859	34.9
146.03204	1.3
148.19896	0.7
149.05992	4.6
157.01315	1.3
160.01541	6.1
161.02335	2.6
163.03932	17.3
171.64934	0.8
175.02409	2.2
175.03908	8.7
179.03345	1.6
193.03566	2.2
193.05003	33.3
203.06894	0.9
207.04991	1.3
231.04993	1.0
249.06122	16.0
250.06416	1.1
252.06598	0.8
267.07187	51.3
268.07657	1.8
351.10861	3.7
367.61044	0.8
381.11981	3.7
395.09842	6.3
413.05356	1.2
413.10919	26.3
414.11148	2.5
425.10864	2.9
443.11945	100.0
444.12274	9.4
514.28046	0.8
589.15692	32.9
590.15894	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06050	0.6
58.02829	0.9
59.01258	0.9
71.56439	1.4
83.04909	0.8
87.00755	100.0
87.92400	0.9
88.01090	1.9
93.03347	5.2
96.95907	1.1
98.02422	0.6
103.91947	1.1
109.02827	1.8
111.04412	9.5
126.78008	0.7
127.08656	1.6
127.92039	0.7
137.02359	2.1
139.08669	1.1
147.08510	0.8
155.03419	1.1
161.96033	0.8
175.05077	0.6
213.08743	2.6
243.05086	11.6
243.09851	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	585.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01578	1.1
61.98684	1.0
67.05141	0.5
70.86769	0.9
70.87103	1.1
71.01260	2.4
73.02821	1.0
75.00786	1.1
79.12485	0.5
83.01281	0.6
85.02834	1.1
88.98696	0.6
89.02345	1.3
101.02337	1.4
106.82264	0.5
113.02334	1.3
134.47476	0.7
171.10170	0.8
195.10307	0.9
345.24338	0.6
433.88596	0.6
489.85651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26761	1.9
59.01250	34.4
71.01258	7.8
71.57526	2.7
80.26046	2.0
81.05647	1.7
85.02825	3.9
89.02357	4.5
101.02330	7.0
113.02328	3.8
119.03410	1.9
120.54729	1.9
121.02853	3.3
121.10110	4.7
125.09619	6.1
131.69075	2.1
161.04445	3.7
185.11760	6.4
214.37036	2.1
221.15401	4.1
236.10442	4.3
253.09271	22.0
263.20166	6.3
273.18582	7.9
291.19669	100.0
292.19888	11.4
293.17374	2.5
449.16113	5.1
527.28546	8.4
528.28857	2.7
587.39410	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	583.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.8
63.96094	1.1
70.88235	1.8
71.01257	7.7
73.02811	1.4
75.18750	0.8
78.98469	6.0
79.05878	0.8
79.95604	12.8
80.96391	83.3
81.03330	1.2
83.68483	0.8
85.02826	3.5
87.00735	3.5
88.02534	1.0
94.97971	16.0
95.14872	1.0
96.95885	2.0
97.02823	1.1
100.60188	0.9
101.02322	1.8
101.41096	1.0
106.97970	3.1
122.97433	3.7
125.02325	2.6
134.97426	4.2
136.99008	1.1
148.99049	5.8
152.98532	6.8
164.98558	9.9
202.16508	0.8
203.30089	0.8
206.99696	1.8
225.00708	13.0
283.26593	1.5
299.04489	2.7
352.87430	0.9
527.71338	1.0
564.23395	1.0
583.31555	100.0
584.31909	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	583.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16550	11.1
59.01245	67.5
69.31885	38.2
69.32307	85.4
71.01263	43.1
71.21404	12.4
85.02833	15.9
89.02278	14.9
96.95901	13.3
121.02818	12.8
122.03677	12.3
165.05641	27.7
170.68674	11.8
179.36583	12.7
185.11699	22.8
236.87329	13.6
255.03004	16.7
300.02750	14.0
361.16684	69.7
377.09772	17.0
377.82257	13.5
523.21753	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	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
59.01250	11.3
61.98694	1.6
71.01266	5.4
71.38329	0.8
71.38664	1.0
72.99162	0.8
73.02808	1.2
75.00755	1.6
78.91763	1.3
84.42077	0.7
85.02821	1.5
89.02314	1.8
93.03335	3.6
96.95892	2.1
101.02340	2.3
113.02339	2.7
115.61778	0.7
119.04852	1.0
121.02832	5.7
122.03629	13.7
133.02866	1.8
134.03682	1.0
136.01584	1.4
137.02371	1.6
138.69092	0.7
145.02861	2.6
147.04419	1.2
148.01590	1.1
149.02359	33.9
150.03145	88.9
151.03467	3.6
153.05466	0.8
163.03955	2.1
164.04709	6.2
165.05498	100.0
166.05872	4.4
175.03946	0.8
177.05544	2.5
179.07056	0.9
180.04233	5.6
193.04988	0.9
195.06577	59.1
196.06920	2.6
267.06839	1.3
268.07489	2.7
280.07370	1.2
283.09790	0.8
287.22253	2.0
307.10062	1.6
308.07053	1.8
308.10477	1.6
309.07803	1.4
312.06244	1.1
323.09259	2.1
324.10114	2.3
325.10815	2.6
326.11493	4.2
327.08749	6.0
327.12100	1.1
337.10892	0.9
338.11548	1.4
339.08749	8.3
339.12384	1.6
340.09091	1.0
341.13956	1.1
342.11029	5.2
343.11957	1.4
354.11096	2.9
357.13443	19.4
358.13837	2.5
369.13400	19.7
369.17725	1.5
370.13876	2.2
421.22363	2.1
429.40222	1.0
431.26474	1.7
449.27621	3.8
457.13113	0.8
461.15878	1.1
475.17935	1.2
505.18826	6.8
517.18494	1.9
535.19733	38.5
536.19824	5.3
583.21350	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	582.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31775	0.7
52.69715	0.7
54.87403	0.8
59.01254	21.1
70.61863	3.2
71.01242	1.9
78.95779	19.8
78.98465	2.2
79.95581	1.7
80.96394	18.0
82.95975	1.3
94.97967	3.1
122.97507	1.0
148.99055	0.9
152.99487	3.4
161.96739	0.9
164.98518	2.0
168.04272	2.5
175.81210	0.9
187.39166	0.8
209.29149	0.9
224.06879	9.8
225.00623	2.6
226.01083	1.0
242.08018	1.7
283.26428	100.0
284.26776	8.1
508.34088	52.7
509.34464	7.1
582.30310	25.1
582.39374	1.5
583.30475	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	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09380	0.6
57.03327	0.7
59.01255	9.2
61.98712	0.7
64.59321	0.6
66.70496	0.6
71.01261	5.3
73.02834	0.8
75.00765	0.9
79.02418	0.6
85.02834	2.5
87.00765	1.4
89.02332	1.6
93.03336	3.8
95.01261	0.9
96.95899	1.9
99.00751	0.8
101.02335	2.6
109.02831	1.0
111.00761	0.8
113.02358	1.7
121.02839	7.9
122.03632	15.0
125.02337	1.2
131.03406	1.0
133.02876	2.2
134.03645	1.8
136.01552	2.2
137.02362	1.2
145.02850	1.2
146.03598	0.8
149.02356	32.3
149.04280	1.2
150.03137	93.7
151.03471	3.3
152.01074	0.7
159.04375	0.7
164.04694	6.4
165.01807	2.3
165.05492	100.0
166.05835	3.2
175.03926	1.1
177.05525	2.7
179.07039	0.8
180.04195	7.4
190.06380	1.0
193.04968	0.8
195.06566	53.3
196.06912	2.8
205.05046	0.9
213.05675	0.6
224.51044	0.8
225.07645	0.9
227.03394	1.0
240.04228	0.9
240.07791	0.9
243.06670	1.1
251.07341	0.7
255.03011	2.4
255.06659	2.1
267.06833	1.0
268.07370	2.5
270.08960	1.6
271.02527	3.0
271.09674	1.4
278.05756	0.7
279.06808	0.7
280.07578	1.2
283.09668	1.5
284.03293	1.8
293.08279	1.0
295.09747	0.6
296.06900	1.2
299.01962	0.8
299.09271	0.8
300.02747	5.1
301.03424	1.1
301.10748	1.7
307.09784	1.4
308.06827	1.4
308.10458	1.9
309.07712	1.5
311.08994	0.8
312.06448	2.1
323.09338	3.0
324.06485	1.4
324.10004	2.2
325.07147	0.9
325.10794	2.7
326.11584	4.3
327.08755	5.8
327.12137	1.2
339.08664	8.8
339.12421	2.7
340.09061	1.3
341.13937	1.4
342.11060	5.4
352.09842	0.7
354.11063	3.0
357.13431	20.3
358.13644	2.0
368.98215	0.8
369.13425	19.3
370.13696	2.3
377.09671	2.0
461.15952	1.1
487.17740	1.2
502.16229	3.2
502.65930	1.3
505.18640	6.2
508.28928	0.7
517.18787	1.4
535.19733	28.5
536.20129	4.2
553.20734	0.9
583.19415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15692	0.3
59.01254	3.4
60.01593	0.3
61.01686	0.8
61.98705	100.0
78.95780	2.1
90.23611	0.3
98.19789	1.2
123.26472	0.3
123.27362	0.3
152.99490	0.8
188.20691	0.3
190.92366	0.3
279.23270	7.9
280.23636	12.7
280.26764	0.6
281.23959	7.8
281.27045	0.5
282.24188	4.1
418.55917	0.3
434.32199	0.3
455.11719	0.3
504.31229	0.6
505.31451	1.2
506.31915	1.4
507.31842	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	582.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	8.6
64.95102	5.0
68.85092	3.3
71.04881	7.4
71.17445	7.1
71.99023	5.2
73.96341	3.7
74.00548	6.9
74.02340	14.9
74.07461	3.3
82.02866	5.9
86.02350	10.8
97.03947	13.3
99.05526	15.1
100.00278	14.0
102.00075	8.9
105.99554	11.4
113.58003	3.9
118.25241	3.6
128.01672	4.6
128.03448	86.7
131.02783	3.9
135.05521	5.5
143.04529	52.5
146.04541	5.6
146.08130	29.7
151.05031	7.9
153.06583	10.3
160.00658	5.0
169.06079	17.8
175.01720	18.7
179.04539	20.7
197.05624	9.2
203.04889	5.4
204.08411	3.5
210.08855	8.4
226.08276	5.1
252.06427	3.8
254.07825	19.5
272.08899	69.5
275.10733	10.0
277.12210	12.5
286.05130	7.4
304.06116	100.0
309.09464	13.8
482.98904	4.4
564.17731	5.5
582.19183	41.4
583.19128	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	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98243	8.6
54.78938	9.0
59.01251	100.0
61.98703	15.0
71.01255	23.6
71.57921	15.5
75.00745	16.7
79.67971	7.3
85.02846	20.2
89.02375	11.6
96.55527	8.5
96.95892	27.7
99.00745	11.7
101.02340	13.2
111.08068	9.2
113.02357	20.3
145.02805	10.1
161.02316	11.9
181.04973	11.0
183.55162	8.6
197.11856	19.9
253.09319	36.8
261.26074	9.9
291.19641	15.0
296.49063	9.9
309.20694	50.9
317.52328	9.8
424.58258	9.2
581.27081	45.7
582.28674	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37748	0.6
59.01257	0.8
63.96104	1.3
68.76579	0.5
69.03316	0.7
69.92992	3.0
71.01238	7.0
73.02822	1.2
78.98457	6.1
79.95604	9.3
80.96389	66.8
81.03327	0.7
85.02814	2.4
87.00755	2.8
94.97964	16.3
96.95900	2.8
97.02805	2.1
98.20514	0.7
99.00763	0.9
101.02322	3.2
106.97981	3.5
122.97469	6.6
125.02314	3.1
127.03920	1.7
134.97502	4.1
136.99008	1.2
148.99025	6.3
152.98526	7.9
157.94682	0.7
164.98549	12.4
167.88399	0.6
182.99576	2.1
206.99567	3.8
225.00681	17.2
225.56023	0.6
226.01105	1.0
243.01819	2.0
281.24869	3.8
281.93503	0.7
299.04398	2.8
581.29980	100.0
582.30316	15.2
604.11194	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	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
56.62162	1.6
59.01248	7.1
69.63803	1.5
71.57453	2.7
78.95779	100.0
96.95887	13.5
96.96865	4.0
98.95461	4.3
99.92452	13.6
115.91968	33.8
116.91982	1.9
116.92738	24.9
118.97778	1.5
128.11353	1.6
150.97896	3.8
152.99506	25.3
164.90450	4.0
171.00528	11.7
172.95389	8.1
178.88361	2.3
179.89140	37.2
179.90665	2.8
180.89938	26.0
181.90767	1.9
185.11699	2.5
186.90752	1.6
190.66975	1.6
196.89429	47.0
196.91254	2.9
197.89455	3.1
204.89969	1.9
205.90764	3.8
234.91081	2.5
235.91818	9.5
236.92572	26.3
252.92177	4.4
278.93665	4.4
281.24921	14.8
282.25192	7.2
292.95285	3.5
310.96326	6.2
348.35037	1.7
444.62189	1.5
473.13773	4.1
477.44061	1.7
490.14178	4.9
506.32449	6.4
507.32877	4.3
533.16559	4.0
545.16083	5.5
563.16791	4.4
581.18329	48.2
582.18536	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	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02940	4.5
53.52574	4.4
57.03314	7.6
59.01248	51.7
61.98698	9.2
71.01263	28.0
71.57770	5.9
72.99191	10.2
75.00753	26.6
85.02831	29.1
87.00777	10.0
89.02336	9.0
95.01273	5.8
96.95907	7.6
99.00768	21.5
101.02333	5.1
103.00245	5.4
113.02330	30.7
113.91790	3.6
116.92707	4.1
121.02851	100.0
124.00472	3.9
126.95738	3.6
135.69827	4.0
161.56964	3.8
165.12802	21.6
170.22346	4.3
175.02435	7.3
180.15877	3.9
183.13829	31.7
197.11789	5.4
227.12839	8.7
231.05084	5.8
245.48795	4.7
249.06081	11.9
287.47910	4.3
309.20703	15.9
371.09787	61.8
452.29379	4.4
464.21680	5.3
551.06329	6.2
581.10968	17.9
581.22406	97.8
582.10815	5.7
582.22449	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	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.5
61.98717	0.7
62.36658	0.5
62.96276	0.4
64.29163	0.4
71.06797	0.9
78.95780	31.5
79.95641	0.4
80.96408	0.7
93.98855	0.5
96.61669	0.4
96.95892	7.8
96.96848	0.9
98.89962	0.4
98.95507	0.7
99.92463	0.9
115.91959	4.2
116.92770	3.0
118.01637	0.5
152.99515	6.4
168.04222	2.6
171.00549	1.8
172.95445	1.3
179.89137	4.6
180.89943	2.7
194.87750	0.4
196.89409	6.3
206.91479	0.6
224.06873	8.7
235.91710	1.1
236.92555	3.0
242.07890	2.6
270.93155	0.6
281.24860	100.0
282.25171	9.3
310.96402	0.7
473.14221	0.8
482.25839	0.7
490.14053	0.7
506.32504	50.2
507.32809	7.5
525.50897	0.5
545.15833	0.9
563.17175	0.9
581.18140	7.0
581.37585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3379
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
51.55247	0.7
54.20646	0.7
57.03320	1.4
58.00470	2.8
59.01252	52.5
69.03348	1.3
70.61436	1.7
70.61848	1.6
71.01254	51.4
72.01570	0.9
72.99185	3.5
73.02825	3.6
74.39812	0.8
75.00742	0.9
78.95795	1.8
79.39639	0.8
80.96389	1.8
83.01264	6.3
85.02821	8.9
87.00748	17.5
89.02316	55.7
94.97978	0.7
95.01283	2.3
96.95892	5.9
99.00790	1.0
101.02322	26.5
102.02707	0.8
102.62749	0.7
103.09437	0.7
113.02328	26.1
114.02697	1.3
119.03394	22.0
125.02370	1.5
129.01830	0.9
131.03398	3.1
134.20306	0.7
141.01785	1.6
143.03423	8.7
149.04477	2.1
153.48657	0.8
159.74059	0.8
161.04460	9.7
179.05536	20.4
180.05858	1.1
255.23271	100.0
256.23666	8.2
262.85522	0.8
268.65033	0.9
269.24838	13.0
270.25095	1.5
279.23282	1.1
281.24884	2.4
297.24387	4.2
313.23743	0.9
323.09799	12.2
341.10867	40.8
342.11261	1.8
579.27759	2.2
582.18494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.2
61.98703	1.2
63.54230	0.2
71.01242	0.5
71.57896	0.2
78.95779	7.2
78.98479	0.3
79.95605	0.6
80.96393	4.1
82.95972	0.2
85.02824	0.4
94.97950	0.7
96.95855	1.4
99.01686	0.2
106.97980	0.3
112.71327	0.2
115.91907	0.5
116.92711	0.5
142.23466	0.2
148.99062	0.4
152.98438	0.2
152.99556	1.4
159.31995	0.2
164.98518	0.6
168.04230	1.2
171.00557	0.3
179.89078	0.6
180.89865	0.5
183.36987	0.2
189.11992	0.2
196.89391	0.8
224.06969	0.9
225.00630	0.6
236.92577	0.4
242.07942	1.9
267.89868	0.2
281.24850	100.0
282.25201	9.1
291.39764	0.2
324.99280	0.2
448.69391	0.2
506.32513	22.6
507.32813	3.4
529.24847	0.2
553.45715	0.2
580.28723	5.7
581.18317	0.9
581.28729	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87413	0.5
55.59673	0.5
59.01236	1.2
63.96106	1.3
69.03335	0.6
71.01256	7.0
71.34409	0.7
71.34750	0.7
73.02824	2.2
78.95780	1.7
78.98473	7.6
79.95610	12.4
80.96393	74.3
81.03314	0.6
82.68848	0.5
83.33910	0.6
84.35307	0.4
85.02824	2.9
87.00753	2.8
94.97959	18.2
96.95895	7.3
97.02840	1.1
97.80139	0.5
99.00782	0.6
101.02318	3.4
106.97977	4.1
109.02857	0.6
121.37892	0.5
122.97476	5.5
125.02336	2.9
127.03915	0.9
134.97499	5.6
136.99049	1.5
148.99054	6.6
152.25714	0.4
152.98541	7.8
152.99683	0.7
164.98553	10.4
164.99831	0.9
182.99583	2.3
188.98065	0.5
206.99591	2.5
225.00710	16.4
226.01080	0.5
243.01848	2.2
279.23294	2.8
299.04388	2.5
343.00919	0.8
347.18900	0.6
387.08344	0.6
412.07504	0.5
579.28430	100.0
580.19531	1.0
580.28778	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
57.71982	0.4
59.01254	5.4
63.96104	1.3
69.03335	0.7
69.28394	4.4
71.01257	7.6
73.02808	2.2
73.10430	0.4
78.95771	4.5
78.98468	5.2
79.95208	0.3
79.95605	12.7
80.96391	79.4
81.03343	0.9
85.02821	3.2
87.00753	3.4
91.03902	0.5
94.97968	17.9
96.95893	18.4
97.02831	1.6
98.19826	0.9
99.00768	0.5
101.02300	3.0
106.97958	3.6
113.02339	0.6
122.97485	3.4
125.02360	4.2
127.03891	1.1
134.97478	4.7
136.98033	0.4
136.99054	1.8
148.99051	6.8
152.98506	5.7
152.99466	0.5
164.98549	12.4
178.94191	0.8
194.93732	1.0
206.99648	2.0
208.47195	0.4
225.00705	14.4
226.01025	0.6
227.03287	0.4
242.07933	0.5
245.04259	1.5
247.45102	0.4
253.21751	0.7
279.23367	2.5
281.24850	28.9
299.04349	4.0
343.00781	0.7
349.75156	0.5
481.25864	0.7
496.60104	0.5
506.32489	7.2
515.83899	0.5
579.28406	100.0
580.28723	15.9
580.37665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52613	4.2
59.01241	20.1
59.42255	4.0
61.98699	4.2
71.01277	6.8
71.57832	7.2
78.95779	100.0
85.02831	5.6
96.95879	6.1
96.96863	6.7
151.33597	5.3
152.99492	14.3
171.00558	15.2
174.01605	8.6
212.73454	5.0
289.18069	10.2
307.19052	8.8
399.67548	5.1
528.62897	4.4
579.31732	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86182	0.7
55.01751	0.9
57.03319	1.2
58.00456	1.1
59.01250	52.0
61.40885	0.7
69.03346	0.9
69.73660	2.2
69.74092	3.2
71.01255	35.4
72.99169	1.8
73.02818	34.5
73.32593	0.8
73.38244	0.7
75.00735	1.5
83.01257	12.8
84.73777	0.7
85.02819	6.2
87.00745	2.1
88.98676	1.0
89.02312	7.5
95.01276	1.3
96.95899	2.9
97.02866	0.9
99.00745	1.1
101.02325	28.8
105.24566	0.9
108.02039	1.5
109.02833	8.3
112.55547	0.8
113.02344	10.3
119.03391	3.0
121.02817	1.3
123.00758	0.9
123.04401	1.9
125.02319	2.3
131.03395	2.4
136.01553	14.0
137.02325	3.0
143.03410	3.3
143.04958	1.6
146.03604	1.6
149.02293	1.1
149.04465	1.9
150.03096	1.3
151.03917	19.6
155.03395	0.9
159.04457	2.0
160.05202	1.9
161.04478	5.2
161.05637	0.9
163.03868	1.9
165.05487	1.2
171.04440	1.9
172.05194	2.5
173.05952	2.0
175.03903	1.0
175.07550	1.1
179.05542	1.3
187.03970	6.1
188.04726	3.8
189.05319	0.9
202.06247	6.0
203.07024	3.5
213.21504	0.9
215.07024	1.5
221.06480	1.2
235.07706	1.0
249.05823	1.0
251.07126	2.0
262.48822	0.8
263.07159	4.9
267.06943	1.9
278.05939	1.3
278.09369	2.5
279.06656	5.3
280.07239	0.9
281.07941	1.2
291.06714	2.4
293.08112	2.4
294.05914	0.8
294.08899	4.6
295.09631	1.9
306.09262	1.0
307.09772	1.4
308.06961	1.8
308.10315	1.8
309.07654	5.9
309.11328	4.3
312.10007	0.9
323.09158	4.7
324.10068	15.9
325.10590	1.2
327.12390	7.4
328.12708	1.1
339.12363	100.0
340.12695	12.7
357.13312	1.5
417.60968	0.9
444.73178	0.9
501.17743	2.4
519.18774	4.4
537.19934	3.0
579.21417	4.6
580.21118	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	579.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	6.7
63.25692	0.7
71.01266	4.7
71.70059	0.7
72.89534	0.8
73.02811	1.4
83.01255	1.3
84.02023	1.0
85.02808	3.7
89.02345	1.1
93.03324	0.8
95.01298	1.1
101.02347	1.9
107.01289	1.4
109.02819	2.7
113.02317	2.1
119.04900	1.8
121.02840	1.0
123.00769	3.3
125.02319	1.5
126.16765	0.7
127.66157	0.8
137.02350	10.8
138.03076	0.7
139.03769	0.7
145.02766	1.2
149.02339	1.6
150.03104	1.2
151.00285	26.3
151.01527	1.7
151.03856	1.6
152.00937	2.1
152.04694	2.8
154.02676	1.0
161.04483	0.9
165.01880	1.3
166.02634	64.9
167.03316	4.6
175.03915	1.7
177.01831	4.0
179.03506	0.8
181.04990	72.4
182.05376	3.5
184.03751	1.7
192.04187	0.9
193.05038	1.5
205.04964	1.4
205.08717	1.5
207.06537	1.2
231.02591	0.7
267.07117	0.8
271.06125	3.7
305.21564	0.8
343.21170	1.9
359.11362	2.7
371.14883	0.9
387.10843	16.5
388.11334	1.9
402.13022	7.0
417.15555	100.0
418.15878	13.2
579.18530	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83961	0.2
55.01761	0.4
56.65679	0.2
57.03318	0.8
59.01252	100.0
60.01589	1.2
69.03329	0.3
69.34683	2.8
71.01256	7.9
71.01855	0.3
72.99195	0.5
73.02829	2.4
75.00734	0.5
83.01266	1.2
85.02829	5.1
87.00755	0.9
88.98695	0.3
89.02319	2.5
95.01260	0.8
96.95890	2.6
97.06474	2.2
99.00773	0.6
101.02327	4.0
109.02891	0.3
109.06476	1.0
111.00787	0.4
113.02325	4.4
115.00277	0.4
119.03407	1.2
121.02847	1.0
124.35793	0.3
125.02344	0.3
126.90273	1.8
127.05063	0.6
127.07564	0.6
129.01836	0.4
137.02364	0.5
143.03471	0.7
143.10728	0.6
145.02884	0.7
147.04402	0.3
149.02412	0.3
150.03168	0.6
151.03906	0.4
159.02986	0.5
161.04483	2.1
163.03954	0.6
165.05464	0.4
175.02515	0.6
175.03957	2.0
190.06384	0.8
191.07072	0.3
203.07219	0.3
205.05058	0.4
205.16031	0.3
214.73833	0.3
215.16528	0.3
222.05312	1.2
235.07648	0.4
237.05486	0.2
239.02716	0.3
239.07161	0.3
245.17488	0.3
251.07085	0.5
253.08739	0.6
255.02911	0.4
259.19223	1.1
261.05484	0.4
263.07217	1.5
267.06714	0.7
269.04816	0.6
269.08209	1.7
270.04886	0.5
271.05234	0.6
275.07291	0.3
278.09546	0.4
279.06683	1.6
280.07370	0.3
281.08160	2.8
282.08908	0.7
283.09775	0.5
284.03378	0.4
285.03860	0.4
291.06787	0.9
292.07291	0.4
293.08344	0.8
294.08942	1.6
295.09918	0.3
296.07162	0.3
296.10583	0.9
297.07678	7.1
297.11075	0.5
298.08188	0.9
307.09634	0.4
307.45554	0.3
308.10620	1.0
309.07770	11.0
309.11380	3.4
310.08148	1.0
311.09311	0.4
312.10046	7.9
312.13553	0.5
313.10501	0.9
323.09216	2.7
324.10019	6.9
324.13821	0.5
325.10605	0.9
327.12366	32.1
328.12759	4.2
339.12350	27.1
340.12723	3.5
345.13577	0.4
355.09113	0.3
357.13486	0.6
357.26443	0.3
375.14505	0.4
375.27600	0.4
391.23489	0.9
403.23544	1.0
421.24396	0.7
483.29391	0.3
484.25772	0.3
501.30975	0.4
519.31744	10.2
520.32477	0.9
535.22266	0.3
537.32605	3.1
579.23315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03318	1.4
57.14207	0.5
59.01254	49.7
60.01583	0.7
69.03342	0.7
69.27396	2.4
69.27820	3.7
71.01258	9.8
73.02824	4.2
75.00736	1.5
77.28737	0.5
82.71037	0.5
83.01257	1.9
85.02837	8.2
87.00777	0.8
89.02303	3.2
95.01294	0.7
97.06467	0.6
99.00754	1.1
101.02320	6.0
109.02866	1.8
111.00783	0.9
113.02334	4.2
119.03383	1.6
121.02835	3.9
122.03622	2.6
123.00747	1.0
123.04373	0.7
124.01585	1.2
128.72237	0.6
133.02831	0.6
134.03622	1.2
135.04396	0.5
136.01567	45.5
137.02435	4.0
138.03125	0.8
141.05638	0.6
143.03392	0.7
145.02873	1.2
147.02910	0.9
151.03920	63.1
152.04257	2.6
159.04425	1.2
160.01569	0.8
160.05190	1.8
161.04498	3.5
161.05605	0.7
162.03172	1.7
163.03923	3.0
166.02654	1.1
173.06042	0.6
175.03955	1.3
175.07547	1.0
177.05534	1.4
179.03445	1.2
181.04851	0.9
187.03935	1.1
188.04721	1.7
189.05466	0.8
191.01949	0.7
203.07054	0.9
205.04968	0.6
206.05879	0.9
221.08145	0.8
229.18234	0.6
244.53746	0.6
253.09641	0.6
267.07278	1.0
269.14032	0.9
325.10605	0.8
326.11270	0.6
327.12000	1.0
339.12177	0.8
342.11093	12.3
343.11499	1.3
343.21338	1.4
357.13434	100.0
358.13766	11.9
434.13092	1.4
519.31622	3.0
537.19751	1.2
537.32654	1.1
579.19891	1.6
580.16779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74712	0.4
55.72416	0.3
56.39898	0.4
59.01251	10.8
69.30718	3.4
70.54980	0.4
71.01239	1.7
73.02811	0.6
77.86466	0.3
83.01260	0.5
85.02830	1.2
89.02324	0.6
98.20580	0.8
101.02321	1.0
107.01280	1.4
108.02044	1.6
113.02328	0.8
121.02821	0.6
125.02298	0.4
135.00795	0.6
135.02809	0.3
137.02357	0.8
148.01572	1.5
151.00270	3.0
151.03876	0.3
153.01897	0.7
160.05219	0.5
161.04514	0.4
163.00328	1.0
164.01091	0.5
171.10139	0.4
178.99849	3.2
198.03117	0.4
199.03885	1.2
203.03383	0.4
214.93297	0.4
226.02654	1.2
227.03500	2.3
243.00476	0.5
243.02957	10.0
244.03467	1.1
254.02217	2.5
255.02974	24.4
256.03323	1.6
271.02472	53.2
272.02945	4.7
281.08295	0.5
297.07599	0.6
299.02072	2.0
300.02737	100.0
301.03207	10.5
309.07767	0.7
309.61591	0.4
324.10098	0.6
327.12387	3.2
339.12308	2.2
340.12323	0.5
345.13327	0.9
375.14508	0.8
415.06537	0.5
431.06180	0.4
457.11295	0.4
487.05176	0.4
519.31915	1.5
537.20160	0.5
537.32568	0.5
557.19476	0.5
579.13544	63.5
580.13837	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51964	0.7
56.75409	0.9
57.03330	1.8
59.01252	100.0
60.01582	2.0
69.85799	4.7
71.01259	9.6
73.02830	4.1
75.00751	1.5
77.57736	0.7
83.01266	1.9
85.02839	6.8
85.53357	0.7
86.57656	0.8
87.00776	2.1
89.02320	4.3
96.95895	1.2
97.06474	2.7
98.19849	1.1
99.00751	1.3
101.02355	6.0
109.98841	0.8
113.02328	6.5
117.03355	1.8
119.03402	1.7
119.04915	1.1
125.02354	1.7
128.03447	0.9
134.03650	1.2
137.02347	3.0
145.02875	3.5
151.00313	0.9
151.03943	3.2
152.01173	0.8
160.05208	2.0
161.04471	4.2
161.05966	0.9
163.03925	1.9
164.04698	1.0
165.05502	1.0
167.03435	1.0
167.61406	0.8
175.03914	1.5
177.01733	0.9
177.05579	1.0
190.06226	1.0
191.01918	0.9
222.66632	1.0
229.18019	1.0
243.02927	0.8
253.08810	0.9
255.02852	1.0
269.08286	1.3
271.02429	1.9
279.06699	1.5
281.08206	2.3
282.08981	0.9
284.03195	0.9
294.08853	1.5
297.07758	6.6
300.02713	2.1
309.07822	8.5
309.11295	2.0
311.10349	1.2
312.10010	6.8
323.09183	1.9
324.10104	5.9
325.10577	0.9
327.12384	28.8
328.12592	4.0
339.12363	26.1
340.12723	3.5
343.21454	1.5
345.13327	2.5
355.09131	1.7
357.13086	1.7
375.14511	4.3
387.11801	1.7
391.23584	2.6
469.56509	0.9
489.14325	1.1
498.14536	1.4
519.31726	13.3
520.31329	1.1
537.32654	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	578.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49521	0.5
57.40763	0.4
58.11622	0.5
59.01244	2.0
61.98700	0.9
67.57079	0.5
71.01242	0.7
71.58211	0.6
71.58641	0.6
78.95779	100.0
96.96852	8.9
122.98418	0.8
127.11175	0.8
140.78859	0.6
152.99506	15.0
167.14307	1.5
168.13896	1.5
168.29753	0.5
171.00580	20.4
194.05786	0.8
211.13387	0.8
229.14388	1.2
241.18085	1.9
268.09610	2.7
366.16821	1.5
578.30981	48.8
579.31378	7.2
597.03967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00626	0.2
59.01254	16.2
71.01264	0.3
78.95779	5.7
80.96404	2.4
84.87141	0.3
94.97974	0.5
149.68849	0.2
152.99551	1.4
156.57422	0.2
159.85643	0.3
164.98610	0.3
168.04269	1.3
206.40952	0.2
224.06781	0.6
225.00787	0.3
242.07869	2.5
279.23294	100.0
280.23657	9.1
504.30981	20.4
505.31085	2.7
541.29211	0.3
578.27203	3.6
579.27094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56528	0.3
59.01254	21.8
61.98695	0.3
63.86246	0.2
70.00198	0.3
70.18320	1.1
73.23009	0.3
73.69489	0.3
78.95779	22.0
80.96383	0.8
81.52890	0.3
96.96798	0.4
111.83333	0.3
122.98403	0.5
131.98770	0.3
136.15085	0.3
147.21986	0.3
152.99500	3.0
168.04234	3.4
186.79420	0.3
224.06895	8.8
225.07155	0.4
242.07938	1.5
246.31050	0.3
279.23294	100.0
280.23624	10.4
289.37537	0.3
339.43713	0.3
453.46609	0.3
473.64359	0.4
504.30981	57.3
505.31296	8.2
579.28326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.7
59.01284	1.6
61.44263	1.8
64.07661	1.9
71.01258	2.6
71.04877	7.2
71.57357	3.4
75.12785	1.5
97.02837	4.2
97.06475	4.9
99.00761	23.4
123.08073	2.4
125.09629	14.7
142.02618	2.4
163.11186	16.9
164.11525	2.0
171.10175	3.5
181.12263	60.9
182.12633	4.3
183.13803	4.9
199.13377	15.5
207.10228	37.9
208.10583	3.4
225.11288	100.0
226.11630	6.1
243.12315	37.0
277.21719	57.6
278.22015	5.6
293.21143	3.8
298.69910	1.9
299.15030	14.0
315.41397	2.1
317.16037	36.5
318.16370	4.4
359.38159	1.8
409.92581	2.1
437.58798	1.7
472.78336	2.1
565.88586	1.7
577.37628	27.1
578.37701	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	577.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.8
57.89960	1.6
58.61414	1.8
61.94297	1.7
71.04905	7.2
71.48828	3.6
97.02844	5.7
97.06477	9.1
99.00772	23.9
110.03617	2.0
123.08094	4.4
125.09644	13.5
136.81888	2.1
142.02576	2.0
142.95232	2.0
153.12802	1.9
163.11217	27.4
171.10162	2.2
181.12274	60.2
199.13322	10.3
207.10202	47.3
208.10565	3.6
215.21944	2.0
225.11279	100.0
226.11516	3.5
243.12376	46.1
277.21729	68.2
278.22086	6.1
299.14990	12.8
317.16064	38.3
318.16141	2.4
555.06744	2.1
557.17957	2.0
577.37634	35.8
578.38025	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	577.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62807	0.7
59.01246	1.6
59.22366	0.7
71.57346	1.5
87.73988	0.7
88.06532	0.6
89.66462	0.7
97.06472	0.7
99.38863	0.7
101.39317	0.7
111.08027	1.7
126.63761	0.7
165.12796	11.1
166.13120	1.0
183.13844	100.0
184.14145	6.4
195.13840	3.5
209.11801	3.9
211.13351	3.1
213.44278	0.7
223.13399	4.4
227.12833	8.8
228.13443	1.5
275.20200	2.2
293.21243	43.7
294.21432	4.8
301.16614	7.2
506.67908	0.9
556.42035	0.8
577.37408	13.0
578.37622	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	577.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	7.6
94.71201	0.7
110.98403	6.5
120.31021	0.6
125.09664	0.8
127.11192	1.7
153.09146	0.8
167.01059	4.3
171.10179	100.0
172.10521	4.3
225.25098	0.8
230.92195	0.6
255.23265	37.4
256.23529	3.3
321.10956	0.7
423.25189	3.9
452.44812	0.7
494.35941	0.7
577.35126	5.5
578.35986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.4
59.05933	1.0
71.01254	2.8
84.99566	0.8
89.02322	1.9
101.02328	2.6
113.02370	1.1
116.36079	0.7
140.11287	0.8
152.01001	0.8
159.99582	0.9
161.04477	1.2
171.10150	1.0
225.11150	1.4
229.74005	1.1
235.08037	1.3
253.09293	10.9
281.24850	100.0
282.25247	9.3
448.31680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97826	2.0
57.03323	2.4
59.01266	2.4
62.19946	1.8
71.04892	5.7
97.02828	6.3
97.06438	5.9
99.00767	21.4
100.16513	2.0
100.96942	2.1
106.91915	1.8
109.06478	2.6
121.54788	1.9
123.08053	2.8
125.09607	14.2
135.65318	1.9
163.10135	2.1
163.11234	19.8
181.12254	69.3
182.12570	3.8
199.13383	11.4
207.10193	42.9
208.10667	3.0
225.11279	100.0
226.11583	5.5
243.12363	49.8
277.21716	67.3
278.22046	4.4
299.15094	14.7
308.15195	2.3
317.16031	40.8
318.16519	3.8
340.55798	2.5
537.51410	2.4
577.37451	33.1
578.37701	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
63.96105	1.6
70.32764	0.5
70.80609	0.5
71.01256	7.6
73.02813	2.5
74.65784	0.5
78.98463	6.8
79.95601	12.5
80.96389	77.3
81.03322	0.9
85.02822	2.4
87.00750	2.6
94.97959	17.7
95.01223	0.6
95.15190	0.5
96.95903	0.6
97.02839	1.1
98.20521	1.8
101.02296	3.5
106.97969	3.3
112.75021	0.5
122.97462	6.2
124.11135	0.5
125.02303	2.8
125.77864	0.5
127.03902	1.3
134.97458	5.4
136.99043	1.6
146.97461	0.6
148.99057	7.3
152.98529	7.4
164.98557	11.6
167.00142	0.7
169.54541	0.7
182.99677	2.6
185.65463	0.5
206.99599	2.8
214.17816	0.5
225.00690	15.7
226.01074	0.6
243.01782	1.6
277.21738	3.0
299.04382	3.2
577.26862	100.0
578.27197	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72903	0.5
59.01240	1.8
63.96120	1.2
69.03329	0.5
70.32870	1.8
71.01257	7.9
73.02820	2.4
78.79235	0.5
78.98462	6.7
79.95606	10.5
80.96393	77.3
81.03323	0.8
85.02814	2.8
87.00753	2.9
94.97963	18.7
96.95890	1.8
97.02825	1.9
98.20516	0.6
99.00741	0.9
101.02307	3.0
106.98000	3.0
122.97475	6.6
125.02327	3.1
134.97481	5.8
136.99045	1.8
146.97490	0.8
148.99063	7.3
150.19043	0.5
152.98537	8.0
164.98544	12.0
182.99568	2.3
206.99611	2.6
217.43378	0.5
225.00714	16.6
243.01752	1.6
274.94479	0.5
277.21848	2.7
299.04269	3.1
407.01044	0.5
407.65845	0.5
577.26855	100.0
578.27222	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96999	0.4
55.40832	0.5
59.01254	1.0
63.96107	1.4
69.03337	0.5
69.42738	0.5
70.32148	1.5
71.01259	7.2
73.02814	1.2
78.98466	7.0
79.95609	11.1
80.96394	77.3
81.03337	0.8
83.01234	0.5
85.02840	3.0
87.00754	3.7
88.61342	0.4
94.97965	15.3
96.95872	1.0
97.02852	2.2
99.00773	0.7
101.02328	1.9
106.97975	3.3
110.34341	0.4
122.41106	0.4
122.97480	3.3
125.02357	3.4
127.03881	1.0
134.97481	6.5
136.99037	1.2
148.99051	6.9
152.98560	5.2
164.98550	12.1
206.99666	2.3
225.00711	13.0
277.21692	1.5
299.04382	2.8
348.05396	0.5
446.93063	0.5
577.26892	100.0
578.27148	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	577.1931
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.56921	1.5
54.17917	1.6
57.03333	1.6
59.01257	33.4
71.01261	13.9
71.58005	3.1
72.99197	4.5
73.02823	5.2
75.00751	3.2
83.01243	2.7
83.04925	1.9
83.74561	1.7
85.02815	9.9
87.00761	3.8
89.02309	7.7
93.03365	1.9
95.01293	4.9
96.95917	8.7
99.00655	1.8
99.04380	1.9
101.02320	8.2
107.01240	2.7
108.02066	8.3
109.02878	3.8
109.99998	3.3
111.00772	3.8
113.02331	7.5
115.00282	2.2
119.03392	2.8
119.04922	4.7
121.02858	3.4
123.00777	8.6
123.04414	2.9
124.01559	16.2
125.02374	10.3
133.02837	1.8
134.03578	2.2
135.02905	1.9
135.04436	2.5
136.01549	17.8
137.02373	21.5
138.03133	6.1
145.02934	1.8
146.03622	3.3
147.04431	5.8
148.05249	2.7
149.02362	6.9
150.03168	2.3
151.00296	6.0
151.03929	43.4
152.01071	100.0
153.01735	2.3
159.04407	4.5
160.05225	2.9
161.02377	5.5
161.04620	2.4
161.05981	4.4
162.03143	3.2
163.03922	11.1
163.07524	2.6
164.04669	3.8
165.01862	2.5
165.03984	1.9
165.05545	2.6
166.02574	3.1
167.03432	77.1
168.03755	3.2
172.05229	5.3
173.05998	2.4
174.03123	3.0
175.02402	4.4
175.03941	7.9
176.04686	11.2
177.01866	4.5
177.05424	3.7
178.02666	6.1
178.06262	3.3
179.03447	6.8
180.04185	2.1
187.03963	5.3
188.04733	6.1
189.05536	13.4
190.02687	1.8
190.06300	14.9
191.03432	10.4
191.07144	14.2
192.04158	5.0
193.05006	1.8
201.05627	1.8
203.03387	3.3
203.07103	8.7
204.04207	3.1
205.04994	6.4
205.08615	2.7
206.05870	4.4
207.06419	2.4
219.06583	3.3
223.13469	1.8
227.03369	2.0
229.08691	1.7
243.03038	2.7
267.06848	3.6
269.04379	1.7
269.08044	2.0
271.02493	4.2
279.06766	2.8
283.06110	2.7
284.06888	4.1
285.07538	4.0
295.06116	4.8
297.07907	2.2
298.08459	6.7
299.01987	7.0
299.09222	6.2
300.02713	3.6
300.10095	4.9
307.06155	2.4
310.08572	7.1
311.09161	2.0
312.10056	2.2
313.07346	3.5
313.10712	14.1
314.04315	5.4
315.12460	4.7
323.09280	2.8
325.07211	4.0
325.10852	16.6
328.09665	5.2
339.08734	1.8
340.09583	16.9
341.10135	2.2
343.11902	90.8
344.12299	9.0
355.11862	41.2
356.12302	3.7
357.09940	7.0
358.10657	4.9
372.12003	2.8
373.12946	76.3
374.13226	6.3
377.10049	1.8
384.10593	4.7
399.78214	1.9
417.22897	2.1
496.15994	7.2
496.66440	2.4
517.30707	2.5
577.17896	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	16.4
58.05014	1.6
61.37293	1.6
69.48560	3.8
69.48978	8.3
81.03320	1.9
83.01273	6.3
95.04890	3.1
97.02811	4.7
107.04929	1.6
108.02054	1.8
109.02840	24.6
121.02834	4.0
122.03605	2.1
123.04404	17.7
125.02337	100.0
133.02843	5.9
137.02339	21.6
139.03902	3.3
149.02328	5.3
151.03932	10.6
159.04402	3.3
161.02339	27.5
161.05988	4.8
162.02969	1.5
163.00136	2.6
163.03923	4.1
164.00978	3.8
165.01802	3.8
173.05966	2.5
175.03934	11.9
175.07495	1.7
177.01831	5.0
179.03453	3.7
187.03984	8.7
188.04735	4.2
197.53624	1.6
201.05489	2.3
202.06313	1.7
203.07060	7.6
205.01382	2.8
205.05042	7.7
213.05548	2.2
215.03293	2.5
217.05055	2.2
221.08063	2.7
227.03470	1.8
227.07104	1.8
229.05020	3.5
230.05740	1.5
243.02960	4.5
245.04494	5.3
245.08125	10.1
255.03006	9.5
256.03662	6.4
257.04446	2.0
269.04529	1.5
271.06183	2.1
273.04022	5.7
281.04346	2.5
285.04190	2.4
287.05618	8.1
289.07190	59.7
290.07535	5.3
297.03894	1.7
299.05460	6.6
329.06723	2.2
339.08762	3.9
377.36322	1.5
381.09811	1.7
407.07693	62.3
408.08078	7.0
425.08862	16.9
426.09439	2.5
451.10342	9.3
522.80084	1.6
577.13458	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88400	0.4
52.80080	0.3
55.21832	0.4
59.01253	22.0
60.01588	0.4
62.58263	0.3
63.96117	0.5
70.01945	2.0
71.01252	2.1
73.02808	0.5
78.52513	0.4
78.95778	7.6
78.98466	1.4
79.95599	2.7
80.48172	0.3
80.96393	15.6
85.02834	0.8
87.00770	0.7
94.97973	3.2
96.54295	0.4
97.02842	0.5
101.02325	0.6
106.97932	0.5
122.97474	1.4
125.02333	0.6
134.97464	0.8
148.99037	1.3
152.98524	2.0
152.99602	0.8
164.98546	2.4
168.04208	2.1
182.99680	0.5
188.50908	0.4
206.99783	0.4
224.06898	0.9
225.00688	3.9
233.22679	0.5
242.07954	3.1
275.20425	0.5
277.21729	100.0
278.22092	8.4
299.04538	0.4
462.37466	0.4
502.29413	23.9
503.29776	4.2
517.25574	0.4
524.10901	0.5
577.26862	23.1
580.45685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.6
70.86435	3.5
73.20048	1.1
81.03309	3.1
83.01250	5.2
93.03322	1.3
95.04913	2.1
95.11014	1.5
97.02820	2.8
107.04878	1.5
109.02841	20.4
115.84220	1.3
121.02862	3.7
123.04415	15.9
125.02338	100.0
126.02666	3.3
133.02835	4.1
137.02354	19.2
139.03891	2.9
146.03593	1.3
149.02338	5.2
151.03915	12.6
154.29953	1.4
159.04424	3.6
161.02339	28.1
161.05988	5.0
163.00179	1.5
163.03908	2.5
164.01044	2.6
165.01843	4.3
167.03365	1.5
175.03947	9.4
175.07649	1.8
177.01826	6.4
179.03421	3.3
185.05984	1.7
187.03925	6.0
188.04745	3.3
193.23640	1.3
203.03651	1.8
203.07051	10.4
203.71866	1.4
205.04991	6.7
213.05484	2.4
217.05026	1.5
227.03471	2.8
228.04131	1.3
229.04964	2.8
243.02946	3.7
245.04459	3.6
245.08167	13.1
255.02988	9.7
256.03687	4.8
269.04434	2.0
273.03976	2.8
281.04483	4.4
283.02518	1.6
285.03970	2.1
287.05508	7.9
289.07178	71.2
290.07544	4.9
299.05615	6.4
339.08740	4.7
381.09726	2.9
407.07721	61.6
408.07941	5.7
425.08719	16.0
426.09235	2.8
447.29996	1.4
451.10474	8.8
452.10889	1.8
466.96237	1.4
577.13617	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22190	0.6
59.01247	3.9
61.98704	100.0
71.01213	0.6
73.10989	0.6
80.96411	1.1
85.02805	0.9
89.02335	0.8
99.38190	0.6
101.02361	0.6
101.86082	0.7
106.25432	0.6
108.56488	0.5
127.47165	0.5
138.82014	0.6
151.54706	0.7
202.58295	0.7
211.55984	0.6
217.25459	0.6
228.02628	0.7
253.09229	1.1
255.09810	1.7
256.10059	1.1
277.05292	0.6
277.21738	6.8
278.22089	12.7
279.22369	7.8
280.22675	4.6
577.26807	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08910	0.3
56.64349	0.4
59.01258	2.3
61.98704	100.0
71.01259	1.0
85.67991	0.3
101.02329	0.5
103.99245	0.3
111.96380	0.3
163.19878	0.4
206.92152	0.4
218.45560	0.3
229.93440	0.4
253.09230	0.6
254.09682	0.6
255.09793	1.2
277.21707	4.3
277.24405	0.4
278.22073	8.7
279.22403	5.6
280.22690	2.7
379.78799	0.4
492.45541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14252	3.8
59.01251	100.0
59.24176	3.5
71.01266	14.7
71.57880	5.5
76.12099	3.8
79.76681	4.5
85.02821	4.0
89.02331	9.5
101.02310	7.6
113.02360	7.0
119.03364	4.8
132.39017	4.0
141.41829	4.0
143.03488	4.1
161.04453	6.5
355.84885	4.2
487.33536	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	575.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51559	0.8
55.01785	0.8
56.36551	0.8
57.03328	100.0
58.03669	1.6
59.01255	27.9
61.96057	0.9
65.83192	0.9
70.34534	1.8
70.34914	1.5
71.01254	6.6
72.63215	0.9
72.99185	1.1
73.02809	3.8
75.00754	2.5
81.03332	9.1
83.01259	1.7
83.41264	0.8
84.53329	0.9
84.55090	1.0
84.56138	0.8
85.02828	3.7
88.98674	1.4
89.02328	2.5
93.59949	0.9
95.35445	0.8
96.95876	4.2
99.00768	2.2
99.04401	37.1
101.02328	21.3
109.02899	1.1
113.02356	4.5
115.68761	0.8
119.03398	0.9
119.04943	1.2
121.02840	7.3
125.02328	3.5
135.04431	2.0
136.01570	18.8
137.02271	1.2
137.18179	1.0
145.02917	0.9
149.02354	0.8
151.00244	1.5
151.03922	35.5
152.04320	1.1
161.02298	1.5
163.03896	1.1
170.26857	0.9
201.11159	2.0
223.13387	1.0
256.88046	0.9
342.11035	1.7
357.13498	18.5
358.13925	1.6
411.23953	1.0
413.10889	1.3
413.16147	2.0
431.17175	12.3
432.17627	1.1
473.18402	6.8
489.27057	1.4
513.21094	9.1
514.21521	1.2
531.28259	14.3
575.27466	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17480	3.9
58.76268	4.1
58.76657	4.7
59.01254	100.0
61.98710	5.7
71.01252	17.0
71.01637	3.9
72.25060	4.9
75.00735	7.5
78.95778	9.4
82.16807	3.7
85.02815	10.4
88.92902	3.9
89.02330	5.8
89.83289	3.9
96.95881	7.7
98.19823	9.8
101.02322	10.6
111.11153	4.1
111.40794	4.7
113.02339	6.7
116.16985	4.8
134.52087	5.1
152.99516	4.8
167.10759	5.5
171.10233	22.2
185.11755	16.1
211.13350	6.8
233.21941	5.5
284.03116	8.6
346.40335	4.7
380.63617	4.9
575.30219	19.0
576.30078	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	572.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11580	2.5
52.14875	2.7
55.01768	3.0
56.77067	2.4
57.03315	18.1
59.01254	100.0
63.93700	2.5
69.57866	19.6
71.01258	53.7
71.04884	3.8
72.04417	32.7
72.99178	16.2
73.02816	8.1
75.00748	33.3
81.03374	3.5
83.01265	6.4
83.04901	5.9
84.04468	2.6
85.02821	43.0
86.11655	2.7
87.00756	21.9
89.02316	15.8
95.01266	11.6
95.04932	2.5
96.95898	20.3
98.19733	4.5
99.00771	30.4
100.03949	6.2
101.02329	8.2
103.00254	5.5
107.04921	5.9
111.00751	2.9
112.03923	2.8
112.07587	3.5
113.02335	59.3
114.02701	2.8
115.00257	3.7
115.91937	2.6
116.92748	8.5
117.01854	3.6
119.03423	2.5
128.03375	3.1
129.01834	8.2
131.03374	2.8
131.22531	2.5
135.04456	4.7
137.17915	2.6
141.11464	3.1
149.02354	4.0
149.04445	2.4
150.03122	3.6
151.03883	3.2
152.03485	5.4
157.01262	2.5
161.09622	17.4
161.13242	12.7
163.11194	6.9
164.04837	2.6
165.05507	5.2
168.14330	3.0
170.04486	3.5
175.02414	8.9
179.10815	3.1
187.11200	26.2
189.09163	9.0
195.06636	4.3
205.07127	7.4
205.12263	27.9
206.12715	3.0
207.10216	11.4
223.13379	11.1
227.03493	4.2
245.11769	4.4
249.06125	43.6
249.11230	4.2
255.02992	7.3
262.09235	3.6
262.14322	4.6
267.07217	89.8
267.12283	8.5
268.07645	5.1
284.03268	8.1
285.04285	3.4
285.71652	2.8
304.12076	2.8
350.13907	3.4
367.12561	4.1
369.10059	9.2
382.93619	2.6
437.18051	5.6
454.49155	3.0
455.19302	14.7
457.17233	6.0
481.17468	3.5
499.18228	5.6
512.21350	10.5
517.19012	14.3
530.22443	10.3
540.58545	2.7
554.22400	8.4
572.23730	42.7
573.24432	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	572.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88781	2.5
53.61818	2.7
54.25917	2.5
57.03324	12.9
59.00950	6.7
59.01249	100.0
60.05332	2.8
68.99678	3.6
69.03316	4.1
69.35482	8.9
69.35897	18.2
71.01257	37.3
72.04417	22.7
72.99173	12.0
73.02806	6.7
75.00753	26.0
83.01245	4.6
85.02819	37.8
85.46134	2.6
87.00754	28.7
89.02328	12.6
93.03314	3.4
95.01289	9.9
96.95910	14.6
97.06503	4.3
99.00751	27.3
100.03934	8.2
101.02321	6.1
103.00310	2.8
107.04903	7.2
111.00764	4.3
112.03950	5.2
113.02332	48.8
115.00218	4.4
117.01897	3.5
120.05667	4.1
129.01831	4.5
135.02875	3.3
135.04367	4.3
139.00209	5.2
145.10152	3.4
157.01334	5.8
161.09619	18.6
161.13264	19.9
163.11221	6.8
165.57054	2.9
170.04449	5.1
175.02382	4.0
179.10712	5.7
187.11221	31.8
189.09122	17.1
205.07095	5.0
205.12248	29.5
205.74757	3.2
206.12582	3.9
207.10204	13.5
223.13365	6.6
249.06155	33.5
249.11296	6.4
262.09204	3.6
262.14606	3.3
267.07208	76.9
267.12286	5.4
268.07654	4.5
341.16098	8.3
387.24374	2.8
437.18259	3.7
455.18939	3.4
457.17181	10.2
472.73096	3.3
481.16949	8.3
488.66479	2.9
499.17886	3.8
512.21338	6.9
517.19208	6.3
529.26508	6.4
530.22498	9.6
554.22168	6.5
572.23822	37.2
573.23279	6.9
591.51068	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	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.04995	0.7
56.69979	0.7
59.01259	1.2
70.32899	2.6
78.95775	67.8
82.81133	0.8
96.96837	15.0
108.66551	0.8
111.65688	0.7
132.18279	0.7
134.98370	1.0
152.99490	65.0
153.99847	0.8
184.08588	0.6
187.56934	0.7
191.35526	0.8
223.00067	1.9
234.36157	0.7
241.01163	35.9
242.01498	0.9
255.23268	80.0
256.23630	5.1
259.02243	1.2
315.04828	11.1
350.82736	0.8
358.20386	0.8
391.22522	8.3
478.24792	0.9
571.28870	100.0
572.29218	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	569.385
Annotation	Skimmiarepin C
Peak:m/z	Relative Intensity
50.50137	0.1
55.01765	0.1
57.03323	0.5
57.81008	0.1
58.00480	0.2
59.01271	0.3
62.80011	0.1
68.99697	0.1
71.01254	0.9
72.40589	0.1
78.52104	0.1
83.01311	0.1
85.02823	2.3
86.03202	0.1
87.00785	0.2
95.01299	0.2
96.11643	0.1
99.62244	0.1
102.16924	0.1
113.02337	1.2
134.40514	0.1
147.37308	0.1
166.88380	0.1
171.10249	0.1
230.17236	0.1
247.17041	0.1
298.05142	0.1
299.05679	0.1
423.32898	0.6
437.34073	0.7
455.35226	0.8
456.35458	0.1
483.34610	0.4
497.36362	16.0
498.36682	2.6
509.36716	0.1
551.37598	0.2
569.38428	100.0
570.38782	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	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03332	8.6
59.01254	90.0
60.01568	3.5
68.99683	3.3
69.03331	6.7
70.89954	2.7
71.01255	49.3
72.61340	1.3
72.99197	10.2
73.02823	3.8
75.00750	24.8
76.65851	1.3
79.05402	8.7
81.03376	1.6
83.01247	3.2
83.04900	3.4
85.02824	37.3
85.71734	1.3
87.00750	18.2
89.02318	13.5
92.53038	1.7
93.03335	1.4
95.01274	8.7
95.04909	7.5
97.02856	2.2
97.06480	4.4
99.00760	13.2
99.04388	2.6
101.02330	5.1
103.00249	3.7
107.04905	4.5
107.82631	1.3
109.02787	2.3
111.00774	2.9
111.04377	2.6
113.01524	2.8
113.02332	58.5
113.05962	6.5
114.02671	1.8
115.00240	3.9
117.01832	2.4
119.03378	1.8
121.02830	1.8
123.04415	3.4
123.08045	1.4
125.02287	2.0
125.06068	1.4
129.01804	4.6
139.03891	2.4
149.09651	10.8
152.99409	1.7
157.01370	1.8
157.04930	1.4
159.08038	2.2
160.01776	1.5
163.72690	1.5
175.02379	4.4
175.11195	24.5
177.09151	8.3
189.03943	1.6
193.08632	7.1
193.12206	3.7
206.91678	1.4
209.11794	3.5
219.10193	5.5
221.08163	3.7
231.05028	2.8
237.11244	7.4
249.06143	41.3
265.07236	2.9
267.07205	100.0
268.07578	6.6
281.10275	9.2
299.11325	3.5
314.00571	1.5
361.29333	2.0
362.29831	3.8
363.09311	7.9
389.10672	3.1
390.11319	2.0
506.34409	8.6
507.34515	4.5
524.35449	3.7
533.19580	2.1
549.18146	4.1
567.19031	12.7
567.26825	3.0
568.19464	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	567.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44735	1.1
54.31269	1.3
55.01751	2.3
57.03320	9.0
58.00464	1.8
59.01249	80.7
60.01579	2.1
60.99178	2.0
67.01768	1.3
68.99680	3.5
69.03320	8.2
71.01252	45.0
71.04868	2.0
71.85537	1.3
72.01621	1.3
72.99179	13.6
73.02807	4.9
73.48310	1.2
75.00744	26.6
79.05402	9.8
80.96383	1.6
81.03316	2.7
83.01253	2.6
83.04909	3.4
83.32099	1.2
85.02821	39.7
85.06502	1.2
86.03159	1.7
87.00744	22.4
88.98665	3.0
89.02325	12.3
93.03310	1.9
95.01269	7.3
95.04907	8.3
96.95947	1.9
97.02796	1.8
97.06462	4.9
98.03606	1.5
99.00748	13.6
99.04409	2.0
101.02318	5.3
103.00242	5.5
107.04904	4.0
109.02842	2.4
111.04388	3.6
112.01599	1.6
113.02330	64.2
113.05972	9.8
114.02701	2.7
115.00246	3.4
115.03871	1.7
117.01797	4.3
121.02827	3.5
122.03672	1.8
123.04382	3.9
125.05963	3.7
129.01843	4.2
131.03384	1.9
131.60106	1.2
137.02371	1.4
139.03864	2.7
147.04414	2.1
149.09630	10.9
151.03871	2.4
157.01303	2.3
159.07999	1.6
161.05995	2.6
165.01830	2.0
165.05466	4.5
166.05850	1.3
167.10733	2.1
175.02364	4.8
175.11197	30.9
176.11562	1.7
177.09143	10.0
179.06993	1.3
193.08600	9.0
193.12158	2.6
205.07179	2.2
208.03537	1.3
209.11725	4.8
219.10179	7.9
221.08098	4.4
231.04945	2.8
237.11301	11.4
242.67311	1.3
249.06117	49.5
250.06525	2.4
258.92810	1.3
263.67865	1.3
267.07208	100.0
268.07520	5.6
281.10217	9.6
299.11389	4.1
334.49158	1.2
344.16116	1.7
361.16699	2.4
362.16974	4.6
363.09280	8.5
363.17151	7.2
389.10837	2.4
489.16113	1.6
505.21048	2.7
506.21005	6.2
507.21552	17.3
524.22339	3.0
525.22736	6.4
534.19336	3.3
549.18054	3.0
567.18774	14.9
567.26569	1.4
568.19501	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	565.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03339	4.2
58.00470	1.6
59.01255	100.0
60.01588	1.5
61.98707	2.5
69.03342	1.2
69.41096	6.8
71.01259	38.4
71.04922	0.9
72.01614	0.9
72.99233	1.8
73.02826	14.0
73.35867	0.7
75.00748	2.5
83.01263	6.2
83.04900	1.4
85.02840	15.3
87.00774	3.0
87.04407	2.1
89.02322	16.8
89.02824	1.2
95.01275	3.9
96.95916	3.0
97.02884	1.5
98.19803	1.6
99.00780	3.7
101.02328	20.4
102.02721	1.0
108.02162	0.9
111.00806	1.4
113.02338	29.5
114.02679	1.1
119.03384	4.2
121.02860	1.0
124.01585	0.8
125.02374	1.5
126.80434	0.7
131.03448	1.9
143.03430	3.2
149.04575	1.0
151.03937	1.0
159.02911	1.0
161.04483	10.9
179.05659	2.5
199.13448	1.0
221.19092	2.0
229.18140	0.8
253.09363	1.6
268.07559	0.9
283.19354	1.2
287.22391	1.4
301.10992	1.8
301.14902	0.8
301.20319	2.1
329.23306	4.2
343.28711	2.6
359.28250	1.0
361.29697	8.7
375.24170	0.9
431.26266	0.9
445.74072	0.8
505.33829	49.0
506.34006	6.1
510.55762	0.8
521.20660	1.2
523.34772	11.2
524.35034	1.7
565.28857	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	567.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84835	0.9
54.11559	1.0
55.01744	1.1
57.03320	1.4
59.01251	39.5
60.01580	2.5
61.01648	2.1
69.03346	1.8
69.43648	2.8
69.44053	5.9
71.01250	20.6
72.01588	1.2
72.99177	3.1
73.02829	4.7
75.00745	3.4
78.98474	6.0
79.95607	14.3
80.96392	62.1
81.03320	1.4
83.01257	1.8
83.04897	1.0
85.02824	9.9
87.00745	5.9
89.02335	4.4
94.97965	13.6
95.01245	2.1
96.95884	1.8
97.02843	2.0
98.19762	1.0
99.00744	2.4
101.02324	6.1
102.02654	1.8
106.97971	3.5
111.00784	1.2
113.02339	14.6
114.02691	1.3
122.97461	2.9
125.02309	3.0
134.97470	5.3
143.03458	2.2
145.04091	0.9
148.99031	7.5
152.98549	3.7
161.04349	1.3
164.98576	11.9
175.11154	3.1
177.09169	1.1
206.99619	2.7
210.03288	1.1
225.00688	20.7
227.03520	1.2
249.06036	5.3
267.07211	15.4
271.05905	1.0
273.13785	1.0
299.04425	3.3
317.05450	7.4
362.29764	1.9
505.17749	1.2
506.34027	6.3
507.15543	3.1
507.34390	3.8
524.35748	2.1
567.17517	100.0
568.17554	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	565.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70479	9.3
55.49839	8.4
59.01256	100.0
61.85723	9.5
61.89899	8.6
61.98708	13.8
65.05591	8.5
66.14829	8.2
71.01237	18.3
71.58192	11.6
76.30442	10.1
85.02841	11.4
96.95847	12.7
101.02260	10.5
113.02298	17.6
147.15926	8.8
153.86401	8.4
205.91069	9.7
293.21393	16.6
310.37234	9.7
565.27264	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09264	0.4
53.47406	0.3
54.52542	0.3
55.01768	2.2
57.03326	8.8
58.00466	0.8
59.01252	95.4
59.13338	0.4
60.01585	1.2
67.01791	0.4
69.03326	2.9
69.31702	3.0
69.32118	1.0
71.01256	33.6
71.04894	1.0
72.01601	0.6
72.99184	1.5
73.02817	10.3
75.00748	1.2
75.22592	0.4
81.03316	0.5
81.16048	0.4
83.01257	5.9
83.04888	2.2
84.47382	0.4
85.02826	21.0
85.99987	1.2
87.00758	2.8
87.04381	0.9
89.02314	7.0
94.44322	0.4
95.01275	4.3
97.02840	1.3
97.06499	0.7
98.22332	0.4
99.00761	4.5
99.04394	0.6
100.71420	0.3
101.02328	16.7
101.05991	0.4
103.03958	0.3
111.00750	2.5
112.01573	2.1
113.02332	19.6
115.07527	0.5
118.06641	0.4
119.03388	2.9
124.01562	1.0
125.02358	2.8
125.05915	0.7
129.01831	0.8
132.07414	0.4
143.03391	2.5
145.02768	0.4
145.08578	2.2
149.04414	0.5
154.38486	0.3
155.14279	0.7
159.02927	2.1
159.10303	0.4
161.04478	10.4
165.12656	0.6
171.10129	0.9
179.05539	0.5
183.13850	2.7
189.11217	1.2
197.15421	0.6
198.14442	0.4
199.16885	2.3
213.18541	3.3
220.50772	0.4
239.89638	0.4
243.19669	3.8
244.20142	0.4
253.09358	0.5
255.02867	0.6
255.19693	0.5
267.07281	0.4
281.08832	0.8
315.25363	1.5
327.21701	0.9
328.22098	0.9
329.22427	0.6
343.28491	2.3
344.28915	0.5
357.22580	0.4
359.27936	1.4
361.29602	12.4
362.29938	1.4
366.43518	0.4
369.10034	1.6
387.23767	0.6
403.30573	0.7
457.31509	0.6
463.24863	0.6
475.32654	1.1
487.32346	0.7
503.32172	0.5
505.33823	100.0
506.34131	15.9
523.34882	31.3
524.35083	5.2
565.25171	1.8
565.35895	5.4
566.35999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2292
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01755	2.9
57.03330	3.7
58.00455	0.8
59.01252	78.9
68.99715	0.9
69.03334	1.4
69.52979	6.0
71.01254	29.3
72.99178	1.9
73.02816	8.5
81.07018	0.7
83.01265	5.7
85.02826	18.7
85.99947	0.8
87.00748	3.2
89.02341	5.6
93.03345	1.8
93.40128	0.7
95.01260	5.1
97.02827	1.3
98.10242	0.6
98.19760	0.7
99.00769	3.1
101.02322	13.6
108.02077	1.4
109.02833	4.1
111.00801	1.1
111.04434	1.0
112.01529	0.8
113.02329	19.4
119.03399	2.7
121.02844	13.0
122.03635	12.6
123.00790	0.7
123.04410	1.7
124.01552	1.6
125.02358	2.7
135.04399	2.7
136.05151	1.7
137.02361	2.6
143.03337	1.5
144.99635	0.7
147.04427	8.5
149.05968	1.0
150.03099	1.1
154.02684	1.7
160.05223	1.6
161.04424	2.2
161.05978	4.8
162.06778	3.0
164.04639	0.7
165.05499	22.6
166.05855	1.0
173.06036	1.1
174.06789	1.4
175.07544	2.1
177.05507	1.2
179.07025	8.2
190.06303	0.8
191.07047	2.3
193.08562	1.5
205.08580	1.2
235.09715	0.8
267.07108	1.2
297.11331	0.9
298.12158	2.2
299.12643	0.9
311.12991	0.7
313.14459	5.0
315.12363	2.1
316.13126	0.9
328.13147	3.1
329.13983	1.3
343.15540	10.1
346.14203	7.1
347.14893	3.2
361.16556	58.5
361.29559	4.8
362.16730	4.5
475.19748	2.3
505.20834	100.0
505.33249	27.9
506.21149	11.3
506.34259	1.1
523.21893	40.0
523.34277	12.0
524.22229	4.2
565.23187	2.3
565.35974	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	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03326	3.9
58.00470	1.2
59.01252	100.0
60.01592	1.1
61.98703	0.3
63.03189	0.3
69.03333	1.1
69.33722	0.6
69.34114	3.1
71.01256	41.6
71.04892	6.0
72.01596	0.8
72.99181	1.9
73.02821	12.2
73.06466	0.4
75.00764	0.8
81.03324	1.4
83.01258	7.8
83.04900	1.5
84.02050	0.6
85.02825	23.2
85.99958	0.7
86.03159	0.6
87.00766	2.2
89.02318	9.4
95.01263	4.5
95.04913	0.9
97.02840	1.4
97.06470	19.9
98.06786	0.6
99.00758	6.0
99.04409	0.9
101.02325	26.8
101.05972	2.6
102.02670	0.6
107.04901	0.4
109.06481	3.4
111.00784	1.1
111.08042	0.7
112.01586	0.8
113.02334	27.0
114.02660	0.6
114.66978	0.3
115.03888	0.5
115.07527	0.9
119.03397	3.2
124.01556	0.9
125.02348	1.8
125.05966	1.5
127.07544	2.6
129.01845	1.1
131.03397	0.5
141.01845	0.4
142.02597	0.4
143.03394	4.4
144.03773	0.3
145.08636	3.6
158.60199	0.3
159.02911	4.0
160.01530	0.6
161.04471	23.8
162.04846	0.8
169.12219	0.5
171.10190	0.4
175.03883	0.5
179.05519	0.9
183.97522	0.3
193.12241	0.3
197.11775	4.6
197.15338	1.9
199.13361	1.0
203.81895	0.3
205.03461	1.1
211.13374	1.0
213.18539	3.7
239.20163	0.6
253.09241	4.0
266.42346	0.3
269.21710	0.3
291.19354	0.4
309.20758	0.6
327.21771	10.8
328.22031	1.3
341.26877	1.0
357.22845	8.3
358.23138	0.8
359.28131	1.7
375.23871	16.7
376.24341	2.2
401.25272	0.5
455.30219	0.8
457.31586	0.5
467.29944	0.5
473.31088	0.9
475.32944	0.3
485.31400	2.0
503.32272	53.7
504.32523	7.5
521.33307	22.0
522.33649	3.7
563.25739	0.6
563.34363	3.2
564.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58360	0.6
55.01756	1.7
57.03320	4.1
58.00475	1.5
59.01252	100.0
60.01579	1.0
69.03346	1.4
70.24958	1.3
70.25355	1.2
71.01254	36.2
72.01623	0.7
72.31639	0.6
72.99198	1.7
73.02823	9.4
74.45452	0.6
75.00723	0.8
77.61193	0.6
78.92215	0.6
79.20373	0.6
79.43602	0.6
79.61770	0.6
81.03321	0.8
83.01258	6.0
85.02824	21.3
86.45679	0.5
87.00772	2.1
89.02318	12.7
93.06973	3.7
95.01279	3.7
95.67243	0.6
96.95905	1.3
97.02860	1.7
97.06483	2.1
98.95482	1.5
99.00766	4.4
99.92490	1.5
101.02322	20.0
111.00767	1.1
111.08057	0.7
113.02333	18.4
115.91989	2.5
116.92733	5.5
119.03413	3.0
119.09843	0.7
125.02366	2.5
125.09601	1.0
127.11263	1.0
134.47908	0.6
137.09641	2.1
141.12726	1.1
143.03368	3.0
146.47835	0.6
155.10699	1.3
159.02928	2.5
161.04459	13.3
163.11183	0.6
165.12778	1.1
167.14397	0.8
171.10179	11.0
179.05579	2.4
183.13844	3.1
185.11778	0.7
185.15453	2.8
193.12331	0.9
197.11792	0.9
199.13364	0.9
199.17079	1.0
209.11745	1.5
211.13351	14.6
212.13705	1.1
221.11826	1.7
229.14467	10.2
229.18024	8.0
229.20125	0.8
239.12854	1.5
253.09245	21.6
279.63947	0.7
291.19733	2.7
309.20786	2.2
327.21762	73.3
328.22079	6.3
329.19858	0.7
347.20972	2.1
359.28174	2.5
367.08890	0.7
373.22275	10.9
391.23355	8.8
391.27661	0.7
392.23621	1.0
467.30206	1.0
485.31018	1.1
503.32285	69.2
504.32629	10.6
521.33270	18.7
522.33905	2.4
563.14886	1.2
563.23438	0.9
563.34174	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	563.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03324	4.5
58.00478	1.4
59.01253	100.0
60.01597	1.2
62.34640	0.4
65.36327	0.5
65.64468	0.4
69.03335	1.2
71.01256	40.1
71.19669	0.7
72.99194	1.8
73.02821	11.5
73.79861	0.5
75.00770	1.2
79.05424	0.9
83.01259	7.9
84.54197	0.4
85.02825	25.0
85.06442	0.4
85.99984	1.0
87.00761	1.9
87.04404	1.1
89.02321	9.1
91.05421	1.1
95.01273	4.9
95.04919	0.9
97.02834	2.6
97.06470	15.1
99.00757	6.0
100.01147	0.4
101.02324	26.0
102.02686	0.5
109.06480	8.7
109.85550	0.4
110.06831	0.5
111.00777	2.4
112.01559	1.4
113.02335	23.2
114.02667	0.5
115.03937	0.6
119.03371	3.2
124.01580	1.1
125.02367	2.4
127.07539	6.9
127.11259	0.6
128.07793	0.4
129.01823	0.8
131.03371	0.5
143.03404	2.7
143.34926	0.4
145.08524	0.8
155.14354	0.9
159.02898	3.8
160.01593	1.0
161.04465	17.9
162.04857	0.7
171.10167	2.7
175.03986	1.0
179.05594	1.1
183.13887	1.8
197.15404	0.5
199.17007	3.2
205.03528	0.5
211.13362	2.3
213.18594	1.9
214.18785	0.5
229.14415	2.0
243.19612	5.9
244.20164	0.4
253.09288	5.6
255.19681	0.6
285.20602	0.4
291.19791	0.9
309.20831	0.4
315.18143	0.5
327.21765	15.8
328.22104	2.3
341.26923	0.7
357.22845	4.6
359.28094	1.9
375.23865	7.3
376.24136	1.0
387.23917	8.9
388.24268	1.1
390.26047	0.4
405.24915	6.2
406.25458	1.0
431.26602	0.4
443.30347	0.7
455.30099	0.8
457.32129	0.7
467.29980	1.1
468.30646	0.5
473.31537	0.8
475.32263	0.4
485.31137	3.0
503.32269	77.6
504.32620	13.0
521.33307	22.3
522.33698	3.3
563.24884	1.7
563.34290	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	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03331	3.7
59.01254	100.0
66.00078	0.7
69.03345	1.0
69.50653	6.2
71.01260	27.4
72.99196	1.3
73.02824	10.7
75.00761	1.9
83.01270	4.0
85.02823	12.0
87.00765	2.2
89.02325	9.4
93.06995	3.1
95.01292	2.7
97.02874	1.2
99.00764	3.2
101.02326	18.4
111.00780	0.9
113.02337	20.5
115.03936	1.0
119.03380	3.6
120.53980	0.6
125.02341	1.4
127.35838	0.7
129.01904	0.7
131.03409	0.9
143.03442	1.9
149.04489	1.2
149.05943	0.8
150.03186	1.1
156.95958	0.7
159.02904	1.5
161.04474	10.7
165.05423	1.6
175.07646	1.0
179.05559	1.0
189.05559	1.2
190.06328	0.8
205.08719	1.1
227.03606	1.2
229.18094	5.3
245.81171	0.7
255.02956	1.6
281.08487	0.8
284.03311	2.2
300.02750	0.8
341.13934	4.8
342.14349	1.0
359.28168	2.0
373.22287	5.1
391.23294	5.9
503.19980	1.4
503.32318	40.9
504.32819	6.0
521.33246	16.5
522.34064	3.2
545.22778	2.6
563.23608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.1
57.03316	2.1
58.00471	1.2
59.01254	42.7
69.03332	1.1
69.51045	1.0
69.51451	2.9
71.01255	19.4
71.04875	0.6
72.99174	2.0
73.02828	3.6
75.00740	0.5
80.89113	0.5
81.03345	0.5
81.47900	0.5
83.01270	2.6
83.04909	0.8
83.62962	0.4
84.04323	0.5
85.02825	9.3
87.00761	1.6
89.02322	11.3
95.01264	1.7
95.04926	1.4
96.95871	1.3
97.02831	0.9
97.06462	5.1
99.00743	1.4
99.04453	0.4
101.02329	13.2
113.02331	9.8
119.03419	3.6
119.04903	2.6
120.05260	1.0
121.02829	1.1
123.08014	0.7
125.02318	0.8
125.09574	0.9
127.11159	1.6
130.08626	1.4
131.03423	0.7
131.09027	0.7
137.02377	0.6
137.09601	1.0
140.05624	0.4
141.31764	0.5
143.03389	1.2
155.10707	1.4
155.14294	1.0
159.02834	0.7
161.04486	6.9
163.03938	1.9
164.04268	0.8
165.12712	1.0
167.14320	1.0
171.10191	7.9
177.12718	2.0
179.05528	2.2
181.12131	0.5
183.13818	3.9
185.11777	1.5
185.38823	0.6
193.12251	1.6
197.11803	1.0
201.14944	0.5
203.10593	0.5
209.11801	2.1
211.13348	20.6
212.13664	1.5
221.11771	4.2
229.14430	15.9
229.18062	2.2
230.14717	1.2
239.12830	2.2
247.20775	0.6
253.09274	32.5
254.09619	1.9
291.19635	4.5
292.20212	0.6
309.20752	1.9
327.21771	100.0
328.22095	10.7
341.26953	0.7
359.27985	1.7
373.22183	0.9
383.28268	0.6
391.23282	1.4
441.12964	1.0
503.32281	16.9
504.32675	2.7
521.33301	6.2
522.33496	0.8
563.24219	1.0
563.32477	0.8
564.24353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.0
55.17328	0.8
57.03325	7.2
58.00464	1.7
59.01252	98.2
69.03323	2.4
71.01257	39.9
71.02210	1.9
72.99187	2.7
73.02824	9.8
75.00761	1.7
81.03337	1.1
83.01262	7.4
83.04858	1.2
84.02042	1.3
85.02822	23.5
85.99969	1.0
87.00745	3.5
87.90305	0.9
89.02323	14.3
93.06977	2.8
95.01247	5.3
95.04906	1.1
96.02074	0.9
96.95888	8.7
97.02818	3.8
97.06475	3.2
98.95470	3.6
98.96288	1.2
99.00754	5.3
99.92490	6.0
101.02328	25.7
102.02682	1.2
111.00776	1.5
112.01498	1.2
113.02326	22.0
115.91962	10.0
116.92743	17.1
117.01835	1.0
119.03396	4.3
125.02373	8.5
125.09673	1.2
127.11141	2.0
131.03358	1.2
135.02913	1.3
137.09625	4.0
143.03430	3.0
155.10684	1.8
156.95963	1.1
159.02864	1.7
160.01604	1.0
161.04483	12.1
171.10184	24.3
172.10539	1.6
179.05637	1.2
183.13837	4.2
185.15373	1.3
194.00061	0.9
197.11888	1.7
201.11258	1.5
207.58244	1.1
211.13338	12.2
221.11682	1.7
229.14452	10.0
229.17960	6.5
239.12798	2.1
253.09276	34.0
254.09447	1.2
281.04852	0.9
283.02179	0.9
291.19562	3.1
309.20718	2.0
310.04971	1.1
315.05051	2.5
318.00360	1.4
327.21771	100.0
328.22107	9.7
331.57056	1.0
341.26813	2.0
347.20743	1.5
359.27975	3.7
367.08542	2.5
373.22421	7.2
374.22711	1.0
381.80798	1.2
387.16580	2.4
391.23431	6.1
485.31183	1.6
503.32257	59.4
504.32590	9.7
519.11481	2.3
521.33313	19.1
522.33673	2.6
527.12439	3.7
563.14227	3.5
563.22754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	58.6
69.98988	10.4
71.01262	14.5
90.54861	10.5
93.21891	12.1
94.40230	9.2
99.00690	11.6
99.90092	11.7
109.01605	16.9
111.32924	11.7
221.08881	12.0
229.74257	11.4
242.48631	11.9
291.19785	57.1
322.54675	11.1
378.13763	10.6
413.56900	10.7
527.28491	13.1
564.29834	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	563.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43374	4.7
59.01254	100.0
61.98703	11.8
68.21053	4.7
71.01258	16.2
71.58264	6.8
72.99187	5.8
75.00729	4.9
85.02833	13.3
89.02316	6.2
96.95865	7.9
100.65290	4.7
101.02322	8.0
108.51756	5.5
113.02366	11.2
201.11284	7.0
229.17024	6.4
242.09465	6.3
253.09280	8.3
287.91495	5.1
289.61462	5.5
291.19647	15.2
327.21765	9.6
334.94406	5.2
482.25665	10.8
563.26111	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03329	1.5
58.00477	1.2
59.01252	100.0
60.01604	1.0
66.01043	0.7
69.03313	1.1
71.01255	41.5
72.99166	2.0
73.02818	50.3
79.17959	0.7
82.76456	0.7
83.01257	13.4
83.17317	0.6
85.02826	9.3
87.00766	1.5
87.18240	0.6
89.02316	13.6
95.01274	2.7
97.02845	1.3
98.19757	1.6
99.00767	1.3
101.02322	44.8
105.64895	0.8
108.02087	1.7
108.68717	0.7
109.02855	3.0
113.02328	22.2
114.02670	0.8
119.03396	6.0
121.02804	3.4
122.03641	2.1
123.04402	1.5
125.02354	2.2
131.03401	3.7
133.96475	0.7
143.03386	4.1
146.95796	0.7
149.04483	3.3
155.03386	1.4
158.03719	0.9
159.04416	3.5
160.05180	7.3
161.04485	13.2
161.05974	2.2
167.91457	0.9
172.05203	4.4
173.06021	3.9
175.07645	2.4
179.05548	2.5
187.07622	1.4
189.05498	10.2
190.06268	9.5
203.05602	0.9
205.08650	9.3
221.37042	0.7
229.75093	1.0
281.08386	2.4
296.10565	4.6
311.12830	6.6
326.11563	0.8
329.14053	1.3
341.13931	44.2
342.14325	5.0
357.62515	0.7
503.19296	9.5
503.32465	2.6
504.19742	2.3
521.20172	1.2
521.33118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	85.3
60.99170	5.9
71.01257	26.3
71.32238	8.5
72.99180	27.6
75.00749	18.1
87.00746	4.3
89.02319	100.0
99.00790	7.3
100.97810	3.1
105.01793	3.7
115.00259	26.0
117.01833	71.4
130.02185	3.0
133.01320	32.8
135.02846	15.0
145.01338	38.6
161.00824	10.5
176.76569	3.0
187.00409	3.4
194.45444	3.0
221.02956	16.4
221.06592	3.9
234.74939	3.0
529.89526	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	563.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.4
57.03326	49.1
59.00989	1.5
59.01257	16.3
67.08584	0.9
68.20361	1.2
69.03314	3.4
71.01254	22.4
71.58130	1.4
71.58492	1.1
73.02824	12.9
75.00749	1.4
75.02202	0.9
81.03312	1.6
83.01257	4.1
85.02821	9.7
89.02295	5.3
95.01248	1.1
96.95850	1.2
97.02829	14.8
99.00762	26.9
99.04392	6.0
101.02324	32.7
113.01619	1.4
113.02328	12.9
119.03392	1.1
125.02336	65.2
126.02682	2.0
128.32458	0.9
131.03369	2.4
136.01547	1.8
143.03374	3.4
159.02914	1.0
161.04478	12.3
190.10074	0.9
191.05559	3.6
203.05562	5.0
227.03421	4.9
255.02936	4.5
284.03232	5.7
285.04037	2.5
287.07629	1.5
293.08914	2.5
329.08737	2.5
401.10916	2.4
419.11935	100.0
420.12405	6.7
461.12985	39.5
462.13181	4.8
501.16339	6.4
563.15601	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	563.2135
Annotation	Briarlide P
Peak:m/z	Relative Intensity
54.41415	0.4
55.01752	1.5
56.60113	0.4
57.03315	2.1
58.00468	0.7
59.01252	39.2
69.03333	1.2
70.88859	1.3
71.01256	20.7
71.50723	0.4
72.99172	2.2
73.02826	6.6
75.00754	0.9
81.03299	0.4
83.01266	4.6
85.02823	11.9
85.80170	0.4
87.00753	2.5
88.98681	1.0
89.02310	5.2
95.01281	3.1
97.02848	1.1
97.77627	0.4
99.00748	2.3
101.02325	9.0
108.02052	2.3
109.02845	12.1
112.01569	0.9
113.02332	10.0
119.03382	1.2
123.04417	3.1
124.01525	1.2
125.02323	1.5
128.02080	0.5
137.02400	0.6
143.03384	1.5
158.03676	0.6
159.04410	6.5
160.05223	0.9
161.04443	0.8
161.05949	0.8
171.04428	0.7
172.05229	3.0
173.05992	4.6
177.05589	0.5
185.06018	1.3
187.07600	4.7
189.05527	4.2
190.06255	2.1
191.07059	1.4
203.07062	2.0
205.08669	1.8
213.05573	0.5
225.05702	0.5
240.04317	1.4
241.05005	7.8
242.05571	1.0
243.06636	0.5
255.02988	0.6
255.04202	0.4
255.06599	3.1
261.40686	0.5
265.08557	0.6
267.06601	1.2
269.08075	0.8
279.06128	0.5
280.07516	0.9
281.08075	2.4
282.08722	0.5
283.09683	1.8
284.03201	0.6
285.03824	0.5
293.08310	0.8
295.09772	6.4
296.10455	3.3
297.11072	1.2
298.08463	1.0
299.09290	3.9
300.09854	0.5
309.11349	1.1
311.09314	1.7
311.12894	1.1
312.09955	1.2
313.10800	9.7
314.11172	0.9
325.10760	0.7
326.11578	3.4
327.12265	1.7
329.10309	2.3
329.13565	2.2
341.13885	7.8
342.10797	0.7
343.11935	2.0
344.12637	23.8
345.13153	3.5
359.14996	51.4
360.15295	4.6
401.15848	0.4
429.15485	0.6
443.17624	0.7
455.17438	1.0
457.15146	0.8
473.18027	1.7
474.17953	0.6
482.15985	0.7
482.65945	0.8
488.16684	1.0
498.53540	0.5
503.19241	100.0
504.19580	14.9
521.20270	53.6
522.20551	7.9
545.54095	0.5
563.21698	4.0
564.21729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.2
71.57834	1.4
74.36570	0.8
74.62103	0.8
78.95775	13.6
123.71379	1.1
140.01100	2.6
152.99504	3.3
165.12773	2.4
181.12119	1.2
196.03726	2.2
199.13339	27.3
200.13670	1.7
214.04828	3.5
263.20151	6.4
279.19656	3.5
281.48318	1.0
282.06702	1.1
347.25845	6.1
353.94681	0.9
365.26959	100.0
366.27258	10.6
488.27411	1.5
562.31403	19.6
563.31903	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
57.03335	0.6
59.01251	5.6
61.61380	0.5
62.12410	0.5
65.00204	0.7
66.92361	0.4
69.28551	5.4
72.99174	0.5
73.02857	0.6
76.52931	0.5
83.01257	1.1
85.02812	1.5
89.02299	0.7
93.03322	1.1
96.95907	1.2
98.19826	1.0
99.00761	0.7
107.01286	1.4
108.02055	0.6
109.02888	0.7
113.02337	1.5
121.02834	0.8
123.04454	0.5
132.02068	1.5
135.00778	1.5
151.00246	2.5
151.03880	0.8
160.05231	0.7
161.04544	0.6
163.00375	0.9
163.03876	0.6
165.05470	1.3
167.86310	0.5
175.07655	0.6
177.01801	0.5
178.99820	1.5
179.03355	0.8
181.32188	0.5
183.04465	0.9
185.05992	0.9
187.03854	1.2
189.05482	1.2
197.05963	0.5
199.03979	0.5
211.03935	2.1
227.03456	37.1
228.03873	2.7
229.05014	3.4
239.03558	0.7
243.56425	0.5
249.06186	0.9
250.45537	0.5
255.02980	74.3
256.03452	8.8
257.04581	2.7
267.07166	1.2
271.02460	0.8
283.02438	1.6
284.03265	100.0
285.03931	27.3
286.04178	0.9
300.02744	1.2
327.21622	0.9
329.13919	1.5
359.14813	0.7
398.14261	1.2
399.07126	1.5
432.11154	0.6
482.15891	0.6
483.16983	0.6
563.14075	77.9
564.14496	11.9
564.23071	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	561.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.7
57.03315	4.5
59.01252	100.0
64.38545	1.5
66.36720	1.4
68.91856	1.6
70.93181	2.5
70.93507	2.4
71.01258	27.1
72.99213	1.8
73.02814	8.5
74.41325	1.5
75.00733	4.9
82.56007	1.3
83.01254	4.2
85.02828	14.2
87.00764	4.1
89.02316	11.6
95.01250	2.3
96.95890	2.2
99.00774	4.4
99.04382	2.2
101.02328	16.9
113.02328	15.5
116.10059	1.5
119.03365	4.1
121.02850	6.0
129.01846	1.7
135.04430	3.5
157.08885	1.4
161.04442	2.6
197.11658	1.9
224.92680	3.1
242.72044	1.4
249.06114	2.4
293.21259	1.5
295.22827	7.5
297.24509	2.8
313.23941	6.3
338.24744	1.7
339.25388	2.1
357.26697	2.8
371.09784	4.4
385.11459	4.5
454.03436	2.0
457.28064	5.0
475.28720	8.7
476.29077	2.0
501.30438	7.2
517.30176	45.3
518.30591	8.6
519.31543	4.0
561.32831	48.9
562.33411	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	561.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17200	0.3
55.42473	0.3
55.69770	0.3
59.01252	0.6
63.59768	0.3
65.58519	0.3
70.15298	1.2
78.95815	0.4
94.14689	0.3
97.06475	0.9
111.08055	1.0
141.87993	0.3
152.51489	0.3
162.74872	0.3
165.12778	11.9
166.13161	0.5
183.13843	100.0
184.14168	5.2
209.11772	3.9
223.17914	0.3
227.12869	6.3
228.13402	0.4
259.20825	0.3
277.21725	63.3
278.22037	6.3
283.15527	1.0
301.16583	4.6
302.17175	0.4
409.42163	0.3
463.61276	0.3
528.22845	0.4
561.37805	4.8
562.38446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51525	3.0
57.03316	3.5
59.01252	100.0
62.45919	3.4
71.01268	18.7
71.12387	5.2
71.12723	6.3
72.99171	3.9
73.02811	4.5
75.00736	5.2
76.43754	3.0
80.48322	3.2
85.02818	10.5
87.00742	4.1
89.02314	13.5
93.03333	3.1
96.95892	10.3
99.00792	7.7
101.02339	4.7
103.29944	3.1
113.02348	9.1
113.99394	3.4
115.00262	6.2
121.02838	8.2
123.04408	4.5
125.02328	5.3
134.06102	3.6
145.02835	5.0
151.03973	4.1
165.04041	3.4
175.02509	3.8
175.03902	5.6
177.01720	3.6
177.83617	3.2
211.13402	5.1
222.05345	5.2
227.03386	4.8
237.14978	4.4
239.12439	3.1
253.08945	5.8
255.02861	4.9
263.07303	7.2
263.12906	8.7
267.06854	4.3
269.08206	10.8
278.09659	4.6
279.06619	9.6
281.08188	12.7
283.02179	4.1
283.09650	3.9
291.06537	5.8
293.08258	6.9
294.08997	5.7
297.07684	27.2
309.07687	40.0
309.11377	18.6
310.07889	5.6
312.09924	31.1
323.09195	10.5
324.10196	16.6
327.08905	5.8
327.12369	83.6
328.12558	9.7
328.16138	3.6
339.08786	4.0
339.12338	67.5
340.12637	7.6
357.13733	3.6
397.13800	4.1
473.21707	3.7
550.23584	3.6
561.22302	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	561.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03320	0.9
59.01252	14.4
61.95495	0.4
61.98683	0.5
62.76565	0.4
71.01250	6.4
71.34627	0.5
71.82708	0.5
72.99191	0.6
73.02798	1.9
75.00753	0.5
80.96384	0.6
81.79718	0.4
82.95916	0.4
83.01259	58.4
83.04871	0.4
84.01597	0.9
85.02817	3.1
87.00723	1.1
88.58397	0.4
89.02325	2.4
93.03351	1.0
95.01289	0.9
95.04890	0.5
97.06496	0.5
101.02316	3.2
108.24162	0.4
109.06480	0.5
111.00764	0.5
113.02321	3.5
114.66332	0.4
119.03377	0.7
121.01982	0.5
121.02842	8.4
122.03640	12.0
123.04431	4.9
124.01572	1.1
125.02335	2.8
136.01563	0.7
136.05206	2.7
137.02351	1.7
137.05991	10.0
138.03139	0.5
138.06268	0.4
147.04425	4.6
149.06049	0.9
151.00291	1.7
151.03889	0.4
153.01775	0.5
153.32965	0.4
154.02599	0.8
159.04477	0.5
161.04459	1.2
161.05994	2.5
162.06708	1.3
167.03447	0.7
168.04182	1.2
171.10292	0.5
175.03941	0.6
178.99808	1.8
191.07019	0.4
203.07159	0.7
204.32458	0.4
209.08113	2.8
221.08148	4.7
247.09731	0.6
253.09549	0.4
255.03000	0.7
284.03149	1.0
295.13422	0.5
298.12247	0.8
312.97525	0.4
313.14398	1.3
341.05139	0.5
342.11072	5.6
343.11481	1.0
357.13422	100.0
358.09418	0.8
358.13760	11.6
373.22647	0.5
399.10858	0.8
442.32913	0.4
464.09436	0.7
501.18372	0.8
501.30756	3.3
519.31702	0.8
543.26068	0.4
561.16516	1.4
562.24969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60366	0.3
50.98252	0.4
55.01767	1.9
57.02840	0.4
57.03316	1.1
59.01253	21.3
61.98683	0.6
68.36049	0.4
69.03332	0.7
71.01254	9.8
71.34796	0.5
72.99162	0.8
73.02818	2.6
75.00745	0.9
76.08238	0.4
78.21033	0.3
80.96371	0.7
81.03300	0.4
83.01258	52.0
83.04867	0.4
84.01593	1.0
85.02820	4.8
87.00763	1.4
87.04433	0.9
89.02317	4.3
93.03356	0.7
95.01262	1.5
96.95916	0.7
97.02832	0.7
97.06457	1.7
99.00754	1.3
101.02323	4.6
108.02057	0.5
109.02812	0.7
109.06477	1.1
112.01576	0.4
113.02329	7.2
115.07564	0.7
119.03377	1.8
121.02846	6.8
122.03636	11.4
123.00768	0.5
123.04443	4.4
124.01540	0.8
125.02332	2.4
127.07536	0.9
129.63857	0.3
133.80225	0.4
134.03621	0.5
135.04492	0.5
136.01564	0.7
136.05186	2.5
137.02345	1.0
137.05991	9.3
138.06288	0.5
140.47226	0.4
143.03458	0.9
147.04408	5.4
149.02397	0.4
149.06024	0.5
151.00278	1.0
151.03880	0.6
153.01773	0.6
154.02585	0.7
159.02858	0.6
161.04489	1.9
161.05978	2.4
162.06763	1.2
167.03322	0.4
168.04214	1.0
173.99176	0.4
175.02338	0.6
175.03854	0.5
178.99773	1.2
179.05585	0.6
191.07057	0.7
205.04930	0.6
206.66217	0.4
209.08156	2.3
209.09834	0.4
221.08177	3.2
241.18086	0.4
247.09647	0.3
249.06146	1.2
255.03133	0.8
255.06554	0.4
267.07199	1.3
276.96225	0.4
284.03287	0.5
285.04062	0.4
298.12094	0.9
302.04260	0.5
313.14435	1.3
317.17432	0.4
325.20142	0.7
341.05209	0.9
342.11017	5.0
343.11200	0.5
355.21283	0.5
357.13422	100.0
358.13785	13.3
373.22250	1.1
381.09586	0.4
385.22397	0.8
403.23029	0.7
427.79443	0.4
483.28949	0.6
501.17673	1.5
501.30716	10.1
502.18414	0.5
502.30911	1.2
519.31641	3.3
561.15564	0.8
561.22748	0.7
562.24799	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	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01253	36.3
69.49445	6.5
71.01257	12.8
72.99162	0.8
73.02824	17.8
75.00733	0.7
83.01264	3.7
85.02829	3.4
89.02327	2.0
93.03320	1.1
94.84305	0.7
95.01293	1.1
96.95881	2.9
101.02332	14.3
108.02050	2.7
109.02834	0.9
113.02351	5.6
119.03374	1.6
121.02874	6.9
122.03648	3.3
123.04415	1.4
125.02367	1.2
125.24763	0.7
131.03406	1.3
134.03627	1.4
136.01569	85.0
137.01985	3.5
143.03465	1.1
149.04510	1.0
149.06044	1.0
151.03922	100.0
152.04280	4.8
160.05209	2.0
161.04475	3.0
162.03174	0.9
163.03981	0.9
163.35077	0.7
175.07567	1.6
177.05510	1.7
187.03860	1.1
200.97340	0.7
203.07057	1.4
255.02893	0.7
267.07233	1.1
271.02448	1.0
279.06540	1.0
299.02017	0.7
300.02570	1.4
307.16116	0.8
309.11398	2.3
339.12393	2.2
342.10956	4.1
357.13446	72.0
358.13763	8.7
377.09909	3.2
377.60001	1.2
422.75629	0.8
439.01355	0.8
452.28629	0.9
562.25171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00156	0.6
59.01250	19.9
61.98694	0.7
63.96641	0.6
69.44687	0.6
71.01263	4.1
73.02808	1.9
85.02832	1.6
87.00777	1.0
89.02314	2.4
101.02332	4.1
113.02345	1.9
119.03392	1.2
138.70512	0.6
161.04469	0.7
235.08180	1.2
253.09256	16.5
254.09500	1.2
263.20148	100.0
264.20471	10.9
269.91629	0.7
402.90826	0.7
498.58661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99605	1.7
51.95179	1.8
57.03325	5.9
59.00951	4.8
59.01254	100.0
61.98694	4.7
69.46855	5.3
69.47276	14.3
71.01260	43.3
72.01591	2.1
72.99180	5.6
73.02831	11.6
75.00756	6.8
83.01256	8.2
85.02822	18.1
87.00764	5.7
89.02323	16.6
92.94429	2.0
95.01286	4.2
96.95890	5.4
99.00760	6.1
99.04401	2.7
101.02331	27.2
106.47445	2.2
107.01278	2.9
109.06513	2.5
113.02334	27.1
114.02711	2.4
115.00275	2.3
117.03362	3.9
119.03390	6.1
119.04916	12.5
119.05650	2.0
120.01115	3.6
120.05256	2.7
121.02843	3.1
123.04410	3.2
124.01608	2.4
125.02332	10.8
129.01866	2.6
134.03642	7.7
143.03450	3.1
145.02856	8.0
146.03198	3.5
149.05957	3.3
150.03104	3.2
151.00282	6.1
160.01645	3.2
161.04437	10.0
163.03920	13.3
164.04401	4.5
167.03461	3.3
171.10167	5.5
175.02444	2.5
175.03873	3.1
176.01111	3.0
178.02576	4.1
178.99800	8.5
179.05666	4.1
185.11775	3.3
190.02681	4.3
191.03438	3.6
193.04959	10.0
197.11664	2.6
205.04974	6.1
207.10403	2.1
209.11821	3.5
215.03419	3.9
222.64861	2.3
227.03471	9.4
249.05933	2.8
253.09296	4.7
255.02985	20.0
267.07285	10.2
268.07477	4.8
269.07880	5.7
283.02548	8.0
284.03229	14.5
285.03882	3.4
294.19217	2.3
296.17731	2.0
297.07642	2.6
298.04810	24.3
302.04263	4.7
313.07117	13.0
325.20166	6.0
353.08713	3.6
357.13626	3.8
357.26447	2.4
367.10477	2.5
367.16666	2.2
397.10791	2.7
399.10764	5.0
413.10751	2.4
414.11157	7.8
415.11334	14.5
483.29904	2.9
501.30728	17.1
517.13409	6.2
519.31824	10.6
523.35168	2.3
530.95862	2.9
536.64575	3.3
546.15588	7.9
546.65167	3.5
561.15814	7.5
561.32733	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	559.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61301	2.1
54.36196	2.3
57.03313	5.1
59.01253	100.0
60.87586	2.5
61.98711	2.9
69.39456	8.3
69.39883	12.4
70.26110	2.1
71.01256	34.5
71.04862	2.9
72.99167	5.5
73.02828	18.7
75.00751	6.0
83.01255	5.5
83.04884	2.9
85.02834	12.7
87.00752	7.7
89.02296	14.4
95.01258	3.2
96.95898	3.5
97.02829	2.7
97.34109	2.1
99.00761	6.1
101.02351	22.7
113.02345	9.9
115.03879	3.4
119.03420	4.0
121.02888	3.1
123.61683	2.2
131.03455	3.1
145.02914	3.3
161.04451	2.6
171.10175	3.4
175.04102	2.6
183.10210	5.6
207.10284	2.2
211.13319	2.7
225.11368	2.5
229.14371	4.0
247.13657	2.6
253.09360	5.1
267.07446	2.7
273.18930	3.5
278.95541	2.9
287.16599	3.4
293.09158	2.7
293.21078	6.3
295.19296	2.8
323.18619	5.3
337.08267	2.2
352.17175	2.2
375.68582	2.4
412.26880	4.7
441.30753	4.3
455.26575	4.8
473.27353	11.4
477.73987	7.8
499.28635	5.5
515.28589	67.4
516.28925	16.9
528.45966	3.1
545.18115	5.4
559.31909	19.8
560.30597	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	559.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95884	1.6
57.03326	4.6
59.01252	100.0
70.70058	7.0
71.01258	20.0
72.99171	2.9
73.02817	12.9
75.00756	5.6
77.25764	1.8
83.01270	5.6
85.02808	13.9
89.02336	5.3
92.61026	1.9
96.95908	6.7
99.00762	5.9
99.90083	1.8
101.02316	13.9
113.02351	9.8
114.45384	1.8
122.03664	1.9
123.24243	1.6
124.09017	1.7
135.04480	2.1
139.47659	1.7
169.00609	1.9
169.12231	2.4
171.10211	2.8
197.11700	4.6
211.13475	2.0
286.82065	2.1
293.21115	1.9
428.51910	2.1
473.27621	2.7
477.23459	2.1
515.28534	38.3
516.28876	6.1
517.30023	2.1
559.31506	55.5
560.31396	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	559.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	8.3
58.22209	6.3
59.01262	48.1
62.51363	7.5
64.03471	6.1
67.92413	7.5
69.95295	42.5
71.01257	37.5
73.02818	13.6
75.00742	7.0
85.02834	26.0
87.00766	10.8
89.02322	20.1
96.63199	6.3
98.20443	8.0
99.00758	12.7
101.02344	22.6
107.81448	7.5
113.02363	14.4
115.00267	8.8
119.03494	7.1
157.63133	7.1
164.04721	11.5
165.05498	7.6
175.02367	11.7
179.07039	8.0
346.14111	8.7
360.04010	8.4
361.16547	31.9
509.20303	8.7
523.21814	100.0
524.22321	17.8
559.19611	11.7
559.27826	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	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42592	0.9
57.03312	3.2
59.01252	34.9
59.26302	0.9
60.01610	1.2
61.98682	1.4
62.70649	1.0
65.93071	0.9
68.99729	1.2
69.03317	1.1
70.85638	3.0
71.01255	23.5
72.99182	5.0
73.02806	4.5
75.00745	10.5
83.01269	1.7
85.02826	18.7
85.03300	1.9
87.00748	7.3
89.02316	8.8
94.97948	2.0
95.01266	4.0
99.00758	8.5
101.02326	5.3
103.00283	2.2
113.02332	29.8
115.00224	1.9
117.01898	1.6
117.03354	10.9
119.04913	34.0
120.05267	2.3
121.02834	1.3
129.01817	1.7
131.03391	2.0
145.02858	44.1
146.03186	2.6
161.04462	2.3
163.03918	33.9
164.04321	1.8
175.02368	2.9
193.03445	1.5
193.93909	1.0
231.05055	1.8
231.49939	0.9
237.07582	2.1
243.29236	1.3
249.06134	13.6
250.06506	1.1
267.07211	68.3
268.07486	2.9
289.07162	3.5
301.50092	1.0
351.10797	8.0
352.11102	1.0
395.09796	6.9
413.10901	100.0
414.11169	10.8
499.28989	2.8
517.30182	2.0
559.14673	16.2
559.30988	2.1
560.14545	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	558.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	17.4
59.01257	22.4
67.15240	2.4
69.77795	14.0
71.01249	8.3
72.99205	3.4
73.02818	4.2
75.00753	3.7
80.96384	3.2
81.03320	15.5
83.01262	10.2
85.02810	6.6
87.00735	3.1
89.02286	3.0
94.02819	2.9
95.04897	7.2
96.95892	6.2
97.02818	6.1
98.02350	5.7
98.19832	3.4
99.00191	2.9
99.00748	17.5
99.04392	14.8
100.03925	5.3
101.02329	10.7
109.02827	7.9
113.02324	5.5
113.06020	3.9
115.03866	4.6
118.04974	7.2
119.04903	6.4
121.02856	4.1
123.04411	5.1
124.01552	4.4
125.02342	90.1
128.03355	3.1
131.12817	2.7
134.03633	3.6
134.66434	3.1
137.02347	35.9
138.03120	4.1
139.03879	4.5
144.02930	19.9
145.02885	6.5
147.55336	2.7
148.03966	4.0
149.02359	6.2
149.29279	2.8
151.03902	6.1
159.07625	3.6
160.04024	3.6
165.01811	14.7
166.02495	3.6
167.03419	100.0
168.03735	4.2
175.03902	3.8
177.01865	10.5
179.03410	4.4
181.04976	4.2
191.03371	2.9
202.08629	23.2
203.07220	4.6
209.11824	4.3
211.75839	3.0
215.07042	3.9
216.06551	3.2
217.05042	3.6
226.08781	4.6
227.03514	3.8
230.08040	3.2
246.08211	13.9
255.02948	4.0
267.07297	3.7
272.09222	3.0
273.12390	3.8
284.03214	5.9
303.13474	7.7
308.05676	3.8
315.13306	3.3
327.95367	3.1
329.10443	3.0
347.12308	17.9
352.12024	10.7
355.08151	6.5
370.12726	5.2
414.12537	3.1
426.14511	12.5
442.11877	6.1
453.16559	10.9
471.17938	16.0
479.14325	7.3
497.15726	20.3
515.16656	70.4
516.16992	17.2
558.17261	4.6
559.19800	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	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75620	0.7
57.03329	3.2
59.01254	26.0
61.98697	1.6
67.01752	0.8
68.99661	0.8
69.03323	1.6
71.01252	22.2
71.58568	1.2
72.49929	0.5
72.99180	4.2
73.02825	3.0
75.00748	12.7
83.01255	1.5
85.02825	18.8
87.00760	6.0
89.02318	6.1
91.03883	0.8
93.03345	0.6
95.01270	4.7
96.95898	1.5
97.06480	0.8
99.00758	10.5
101.02321	3.6
103.00251	2.5
104.12242	0.7
111.00780	0.9
113.02331	28.6
115.00236	1.3
117.01836	2.2
117.03343	11.5
117.05445	1.0
118.03693	0.9
119.04916	40.4
120.05263	2.0
121.02852	1.5
123.04370	0.6
125.02370	0.6
129.01820	1.9
131.03375	1.5
145.02855	49.3
146.03177	3.1
146.63821	0.6
149.04446	0.5
157.01357	1.6
161.04509	0.8
163.03920	37.5
164.04280	2.1
175.02379	2.7
175.03848	1.0
191.05670	0.9
193.03476	1.8
207.05025	1.2
219.06491	0.7
231.04939	0.7
237.07538	3.1
249.06125	12.5
250.06520	1.2
261.07550	0.8
267.07205	69.1
268.07629	3.6
282.47504	0.6
333.09747	1.0
351.10822	8.2
352.11066	0.9
383.11493	0.8
384.11475	0.7
388.32864	0.7
394.18741	0.6
395.09845	6.8
396.10214	0.7
413.10880	100.0
414.11316	10.5
499.29404	1.2
554.03912	0.6
559.14630	13.5
559.22699	1.3
559.31232	0.8
560.15295	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	557.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70341	0.9
52.16444	0.7
57.43628	0.8
58.42572	0.7
59.01252	90.9
62.58261	0.8
65.34193	0.9
66.56818	0.7
70.63933	1.8
71.01260	10.3
72.01598	0.8
73.02827	1.6
78.95763	1.5
78.98456	2.4
79.95606	5.3
80.96398	32.8
80.98056	1.9
81.95190	5.0
81.96335	1.8
82.95503	1.8
82.95979	28.3
82.96753	4.4
85.02813	3.6
87.00763	2.8
94.97968	8.2
96.97559	6.9
97.02835	1.8
101.02335	4.5
106.97997	1.3
113.02301	1.2
122.97495	2.0
124.97056	0.9
125.02326	2.3
134.97476	1.3
135.97643	0.8
136.97044	1.6
148.99063	2.6
150.98625	2.0
152.98558	2.1
154.98105	2.8
161.04500	1.6
164.98532	4.8
166.98076	3.4
168.99689	1.0
184.99187	0.7
225.00705	3.3
226.01009	2.4
227.00238	6.9
237.09720	3.0
245.04198	0.8
255.23402	2.0
256.23627	1.1
277.21738	53.6
278.22025	5.0
301.04456	1.6
440.13544	1.6
483.15204	5.5
484.15170	1.0
492.45981	1.0
557.19696	3.1
557.28583	100.0
558.28741	12.6
574.15552	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	557.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01256	100.0
60.01599	1.0
61.98713	0.7
69.47370	1.2
69.47791	1.1
71.01259	3.9
72.87850	0.3
72.99203	0.6
73.02821	2.0
75.00745	0.7
83.01286	0.8
85.02835	1.6
87.00754	0.5
89.02338	1.9
89.02819	0.3
95.01308	0.4
96.95915	0.9
98.20583	0.4
99.00790	0.7
101.02332	3.6
101.05983	0.4
113.02343	2.9
119.03435	1.1
121.02959	0.4
125.02380	0.4
129.01804	0.4
143.03403	0.5
149.04451	0.6
155.08356	0.3
161.04509	1.2
179.05632	0.7
213.12413	0.3
249.06165	0.4
261.11087	0.5
267.07327	0.6
329.23346	0.4
351.13107	0.5
437.25601	0.5
455.26715	0.4
497.27792	0.6
502.84583	0.3
557.26929	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	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60646	0.3
57.03328	1.2
59.01254	100.0
60.01590	1.2
61.38377	0.4
61.98707	1.0
71.01257	4.4
71.58521	0.6
72.99190	0.5
73.02825	1.6
75.00726	0.8
80.49679	0.4
83.01273	0.7
85.02815	2.0
87.00736	0.7
89.02304	2.3
96.95886	0.8
99.00768	0.8
101.02334	2.9
108.16355	0.4
113.02328	2.7
119.03359	0.5
123.04371	0.5
125.02402	0.4
145.02849	0.4
145.60274	0.4
161.04474	0.6
185.99617	0.4
217.40352	0.4
267.07123	0.4
291.19888	0.5
437.25687	0.6
455.26895	0.8
468.91287	0.4
513.27240	0.9
557.21387	0.6
557.29822	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	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67720	0.3
57.03318	0.5
59.01252	100.0
60.01587	0.9
61.98703	0.6
69.58001	1.8
69.58416	0.6
71.01255	4.0
72.99185	0.5
73.02823	1.8
75.00753	0.7
78.13509	0.3
79.80407	0.2
83.01274	0.8
85.02839	1.2
87.00762	0.5
89.02319	1.9
96.95870	1.6
97.06469	0.3
99.00751	0.6
101.02322	3.0
113.02319	2.7
114.02675	0.3
119.03412	1.1
119.79907	0.3
125.02316	0.3
131.03397	0.5
143.03403	0.3
149.04507	0.5
151.04037	0.3
161.04451	1.5
179.05534	0.8
199.13358	0.5
211.13324	0.4
249.06284	0.3
257.65457	0.3
261.11130	0.7
267.07260	0.3
268.09671	0.3
329.23395	0.7
351.12961	0.5
437.25333	0.6
455.26657	0.6
497.27798	0.6
557.19000	0.4
557.27740	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	557.2967
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
50.91228	0.6
55.01762	2.8
57.03330	2.6
58.00478	1.0
59.01254	100.0
60.01608	1.0
61.98711	0.6
69.03347	0.7
71.01257	45.7
72.01610	0.8
72.99188	1.9
73.02823	21.9
75.00761	1.3
78.60289	0.5
81.03354	0.5
83.01260	6.5
83.22565	0.5
85.02829	21.6
87.00768	2.0
89.02325	11.0
89.34814	0.5
93.90475	0.5
95.01260	3.4
97.02841	2.3
99.00763	13.6
100.41324	0.6
101.02329	27.2
111.00793	1.6
113.02341	17.3
118.52603	0.5
119.03410	1.5
125.02361	2.3
129.01842	0.6
131.03392	2.5
143.03386	1.3
144.07278	0.6
149.04465	0.7
159.02910	3.4
161.04471	15.8
162.04875	0.7
171.10228	0.9
191.05566	1.8
201.03947	1.3
205.03506	0.7
261.03778	0.6
317.21478	0.7
365.23166	1.1
383.24420	13.1
384.24863	1.0
384.70499	0.6
425.25281	1.3
497.27527	0.9
515.28638	43.5
516.28955	7.1
557.29657	38.5
558.29993	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	557.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.1
61.98713	0.3
69.03326	1.1
69.98217	0.8
69.98634	0.4
71.01254	1.1
72.99182	0.4
73.02805	0.4
75.00745	0.7
76.21792	0.2
79.95617	2.9
80.96374	0.2
83.01250	0.4
85.02835	0.8
89.02324	0.6
93.03316	0.2
96.95891	100.0
97.95837	0.4
99.00755	0.6
101.02336	0.7
113.02331	1.0
119.03391	0.2
123.04420	0.2
125.02314	0.3
147.68369	0.2
174.64294	0.2
185.00797	0.4
240.27107	0.2
245.59811	0.2
249.06142	0.4
252.94405	0.2
267.07257	0.6
335.21497	0.3
357.13370	0.7
395.21097	0.6
462.30084	0.2
557.26398	40.8
558.26929	6.1
559.64337	0.2
584.77655	0.2
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
58.14342	0.4
59.01251	100.0
60.01586	0.9
61.98716	0.6
71.01260	4.3
71.35217	1.0
73.02826	1.8
75.00748	1.3
79.28271	0.4
83.01276	0.7
85.02837	2.1
87.00784	0.7
89.02345	1.5
96.95920	0.7
99.00766	1.0
101.02313	2.4
113.02339	1.8
125.02383	0.5
161.04486	0.7
163.06148	0.6
249.06116	0.7
267.07224	0.5
291.19437	0.6
315.05453	0.5
455.26688	0.7
497.27966	0.7
513.27264	1.2
557.29797	1.1
575.34735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01241	0.5
60.16087	0.3
63.96102	1.3
64.79563	0.4
70.18210	1.1
70.18607	0.7
71.01255	6.7
73.02817	1.6
75.26534	0.4
78.98466	5.3
79.95605	9.2
80.96391	64.0
81.03333	0.8
85.02824	2.3
87.00745	3.0
94.97960	15.0
96.95871	0.6
97.02840	1.5
98.19936	0.6
99.00745	0.4
101.02317	2.6
106.97968	3.2
120.83476	0.4
122.97470	3.0
125.02349	2.5
127.03921	0.8
134.97501	4.8
136.99031	0.9
148.99042	6.2
152.98538	6.0
164.98537	10.8
206.99634	2.3
225.00696	13.5
226.00957	0.4
239.07242	0.4
245.07243	0.4
255.23337	1.7
299.04364	3.3
555.28424	100.0
556.28802	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	557.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77278	1.6
59.01253	100.0
71.01254	12.3
71.57927	2.3
71.89484	1.8
73.02821	6.4
75.00718	2.9
83.01253	3.1
85.02819	3.4
89.02311	3.4
91.77309	1.5
97.56590	1.6
99.00793	2.9
101.02346	8.8
112.24363	1.8
113.02320	3.0
119.03351	2.2
161.04416	3.1
163.03951	1.9
229.14212	2.3
254.73772	1.6
291.19611	6.0
513.27063	19.9
514.27417	4.3
557.29279	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	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12141	0.5
52.06173	0.5
53.46962	0.5
59.01249	0.7
63.96113	1.6
69.03318	0.9
70.14444	2.1
71.01255	9.0
73.02824	1.9
73.26035	0.5
78.98458	7.5
79.95608	12.9
80.96392	83.8
81.03326	0.8
85.02818	2.2
87.00755	3.6
94.97959	19.6
95.01326	0.6
96.95902	1.0
97.02844	2.2
99.00780	0.7
101.02317	3.9
106.97971	3.3
113.02366	0.8
122.97462	6.2
123.31525	0.5
125.02366	3.2
127.03889	1.2
134.97501	5.1
136.99078	1.3
146.75720	0.5
148.99077	6.5
152.98549	9.0
164.98555	14.6
169.88333	0.6
182.99622	1.7
200.14166	0.5
206.99698	3.0
225.00717	16.5
243.01759	1.0
255.23245	4.4
299.04379	3.4
440.96469	0.6
555.28424	100.0
556.28796	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47620	0.3
59.01252	15.9
59.57753	0.3
71.50965	0.3
71.57081	0.4
71.57545	0.5
78.95777	4.9
79.24921	0.3
79.69582	0.3
80.96399	0.5
89.98006	0.3
110.16325	0.3
152.99501	1.2
159.07510	0.3
168.04202	1.7
205.51720	0.4
224.06894	0.7
225.00711	0.4
242.07933	2.3
255.23274	100.0
256.23624	8.2
277.21616	0.4
279.23508	0.4
420.66422	0.4
465.88348	0.3
480.30963	24.1
481.31189	3.8
554.27112	1.1
555.26074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83751	9.3
56.28310	9.8
59.01252	100.0
59.39645	9.7
69.85722	35.6
69.86151	32.9
71.01239	61.6
72.99200	20.9
73.02822	22.7
75.00749	15.1
75.89343	9.5
80.96355	17.0
85.02831	17.7
87.00740	16.6
89.02331	14.8
89.12415	10.4
90.84415	10.5
92.20173	10.3
93.03369	12.6
96.95947	13.3
100.41667	9.3
101.02341	36.6
113.02344	25.2
136.01569	12.0
141.94865	10.9
149.02350	12.4
150.03149	25.7
151.03911	27.6
165.05481	27.8
195.06549	13.3
240.89461	9.9
249.06015	17.9
267.07062	18.4
284.03165	13.3
291.15933	13.9
351.21759	31.3
357.13382	31.0
555.19714	13.2
555.35266	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00998	0.5
59.01256	4.5
60.63350	0.5
61.98701	7.4
70.49975	0.5
71.01248	0.7
71.48753	1.0
73.78347	0.6
78.95774	27.8
82.46540	0.6
102.04916	0.7
125.09633	3.2
152.99503	3.7
168.04308	4.1
187.09671	1.5
187.31641	0.6
224.06876	11.4
242.07945	2.6
253.21704	7.3
259.20554	0.8
261.13678	0.8
277.21716	100.0
278.22076	10.9
291.19525	0.6
292.29907	0.7
478.29446	0.9
502.29376	63.1
503.29709	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	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42046	0.2
54.26625	0.3
59.01247	1.1
60.13194	0.3
65.10326	0.3
70.88662	0.6
70.89002	0.3
76.33289	0.3
78.95779	6.4
80.96371	1.4
94.97941	0.4
97.06453	0.4
104.51035	0.3
125.09623	1.4
127.49766	0.3
129.21228	0.3
152.99474	1.3
168.04207	1.3
170.84160	0.3
187.09689	0.4
202.59286	0.3
224.06856	0.9
242.07898	2.4
261.13425	0.4
261.22195	0.5
277.21738	0.5
279.23285	100.0
280.23624	8.4
280.26697	0.3
311.22327	0.4
419.27884	0.4
504.30984	26.9
505.31329	3.8
554.26947	2.0
555.27460	0.7
555.35254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
61.98682	0.5
71.57610	0.9
78.95779	20.7
80.96372	1.2
96.96801	0.4
106.35831	0.4
110.98443	0.7
124.20029	0.4
127.99592	0.4
133.88185	0.4
148.95200	0.5
152.99518	3.8
164.98465	0.5
167.76033	0.4
168.04231	3.8
186.19817	0.4
186.62334	0.4
224.06883	9.5
242.07898	2.4
244.03438	0.4
279.23294	100.0
280.20712	0.8
280.23642	9.5
354.60263	0.4
399.85690	0.4
429.77957	0.4
504.30981	59.6
505.31277	7.1
554.27338	1.9
555.27216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11496	0.2
59.01253	22.7
69.84957	0.3
71.01266	0.5
71.05553	0.6
73.02801	0.3
78.78772	0.2
78.95779	17.5
78.98465	0.4
79.95601	0.8
80.96399	5.4
82.80244	0.2
85.02840	0.2
94.97960	0.9
96.96832	0.5
97.02871	0.3
97.27150	0.2
106.98001	0.3
122.97465	0.5
122.98381	0.3
134.97481	0.6
150.88730	0.2
152.98584	0.4
152.99518	2.6
164.98561	1.3
166.11818	0.3
168.04214	2.5
194.32396	0.3
206.99805	0.3
216.41351	0.2
224.06885	8.2
225.00748	1.3
225.28040	0.2
242.07899	1.4
255.23270	100.0
256.23630	9.2
319.13440	0.2
379.44324	0.2
480.30960	48.8
481.31250	6.8
554.26862	0.5
555.28430	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	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90368	0.3
52.26001	0.4
59.01244	1.1
70.33609	0.6
70.34021	1.0
73.98885	0.3
78.95780	6.7
84.35093	0.3
152.99544	1.5
162.09657	0.3
168.04216	1.9
198.25107	0.3
211.08234	0.3
224.06868	1.2
233.22734	0.4
239.03461	0.4
242.07965	3.2
275.20218	0.5
277.21722	100.0
278.22086	10.4
283.06104	0.6
412.67801	0.3
502.29413	26.4
503.29785	4.4
540.10950	0.5
556.34393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.8
57.03318	6.3
58.00458	1.6
59.01254	100.0
63.39945	0.9
67.01733	1.1
68.99689	2.0
69.03313	2.0
69.40652	5.6
69.41075	4.1
69.52530	1.0
71.01259	49.6
72.01591	1.5
72.14346	0.9
72.99196	9.0
73.02818	9.1
74.33159	0.9
75.00366	1.7
75.00755	26.4
83.01266	6.3
83.04905	1.3
84.02034	1.0
85.02827	39.6
86.03137	1.3
86.26297	1.2
87.00763	11.1
89.02325	12.2
91.03877	1.7
95.01265	8.2
97.02851	1.7
98.19762	2.1
99.00753	15.6
100.96243	1.2
101.02329	16.9
103.00218	2.1
111.00743	1.5
112.01530	1.5
113.02335	42.9
114.02631	1.5
115.00254	2.0
117.01808	2.7
120.45665	1.0
125.73813	1.0
129.01767	2.3
131.03397	1.4
139.00270	1.3
157.01300	1.5
157.08315	1.1
161.04449	2.9
165.12782	17.5
175.02443	2.6
183.13834	46.8
184.14191	3.2
198.55946	1.2
205.07031	1.9
207.04965	1.8
209.11765	1.3
227.12814	3.9
249.06168	17.8
250.06308	1.2
267.07230	56.9
268.07602	2.6
301.16580	3.5
354.53372	1.1
389.04950	1.0
415.19821	1.7
447.25638	1.4
459.18488	1.2
465.26883	2.4
477.19669	3.0
489.26932	3.8
491.31421	1.9
507.28110	51.2
508.28293	7.6
533.22198	1.3
551.23370	86.7
551.78162	3.0
552.23523	12.9
573.30817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	0.2
55.01757	0.8
57.03317	0.9
59.01252	52.7
60.01587	0.4
61.98724	0.4
65.22363	0.3
67.12494	0.2
69.03317	0.3
69.55509	1.7
69.58417	0.2
71.01258	10.7
72.99166	0.5
73.02823	6.3
78.95802	0.4
83.01254	1.8
85.02830	4.6
86.96502	0.2
87.00780	0.5
87.04393	100.0
88.04723	2.4
88.67727	0.3
89.02319	4.1
95.01254	1.2
97.02817	0.7
99.00760	4.6
101.02322	5.6
111.00761	0.4
113.02348	4.6
113.09631	0.3
119.03425	0.4
125.02309	1.2
131.03441	0.9
137.02390	0.3
143.03415	0.8
145.12221	1.3
152.99489	0.6
155.65559	0.3
159.02895	0.7
161.04443	2.3
194.25426	0.2
227.21521	0.3
289.16605	1.8
307.17746	0.8
311.18713	1.0
331.17523	0.3
359.20615	1.0
377.21805	5.4
378.22104	0.7
419.23135	1.4
421.20737	1.2
439.21988	0.4
463.22266	0.6
481.23077	0.4
491.25027	0.7
509.26047	23.6
510.26303	3.3
551.27130	29.5
552.27264	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36043	0.8
55.01762	0.9
57.03328	4.7
59.01252	24.5
59.90146	0.6
63.87634	0.8
66.67396	0.7
67.01766	2.0
69.03310	1.3
70.63992	0.8
70.83144	1.5
70.83518	1.5
71.01254	22.9
72.99187	5.9
73.02824	1.9
75.00748	17.8
80.97281	0.7
83.01215	1.5
83.04896	1.1
85.02827	29.1
87.00748	10.1
89.02315	7.4
91.03887	2.5
95.01276	5.4
96.95864	0.9
99.00756	10.0
101.02293	2.8
103.00266	1.7
109.02808	1.2
111.08037	1.7
112.01576	0.8
113.02332	36.6
114.02700	1.5
115.00266	1.9
117.01855	3.6
118.08532	0.9
129.01825	1.8
131.03410	1.2
157.01305	1.0
165.12770	17.2
166.13000	0.9
175.02386	3.5
183.13832	47.2
184.14207	3.6
189.03931	0.8
205.07077	1.8
207.04999	1.8
209.11668	2.0
219.85320	0.7
223.08090	1.0
227.12857	6.3
231.05017	1.6
249.03506	1.2
249.06134	23.1
250.06413	0.9
254.66989	0.9
267.07199	63.3
268.07535	3.3
301.16614	6.7
415.19705	2.9
477.19742	1.3
507.28098	1.6
528.29224	0.8
533.22461	2.2
534.22650	1.2
551.23444	100.0
552.23749	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	551.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22377	1.3
55.01744	1.8
57.03315	5.9
58.00454	1.2
58.53948	1.2
59.01252	48.5
68.99702	2.1
69.03307	1.4
69.82846	8.0
71.01254	33.0
72.99173	5.8
73.02808	4.4
75.00747	18.6
78.53013	1.3
81.03319	1.2
83.01242	3.4
85.02821	32.1
87.00748	9.0
89.02335	7.0
91.02282	1.3
93.03328	1.4
95.01254	7.2
95.44687	1.3
98.19806	2.2
99.00771	12.0
101.02312	5.4
103.00227	2.8
111.00755	1.6
111.08028	1.4
113.02334	36.7
115.00288	3.3
117.01820	2.2
129.01823	1.6
157.01309	1.8
159.02702	1.4
161.04442	3.2
165.12761	17.7
175.02365	3.0
183.13834	43.9
184.14148	1.4
209.11740	1.7
223.06238	1.1
227.12827	5.2
249.06143	21.3
267.07205	58.5
268.07495	1.9
301.16574	5.9
358.15634	1.5
415.19864	1.9
447.25662	1.4
459.18311	2.1
477.19522	2.9
507.27988	24.1
533.22278	3.2
551.23376	100.0
551.77887	1.9
552.23798	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78915	0.6
57.03320	2.8
59.01254	98.4
60.01603	1.4
67.01758	1.5
68.99702	3.3
69.03332	2.9
70.04944	1.2
70.05357	2.6
71.01255	14.4
72.99183	2.0
73.02863	1.7
74.02348	1.3
75.00758	2.7
81.03268	0.8
83.01277	2.4
85.02826	14.6
86.03162	1.0
87.00756	4.9
89.02326	2.8
91.03880	1.0
95.01252	5.6
97.02814	1.1
99.00753	2.2
99.04414	2.5
99.05528	1.5
101.02337	2.3
103.00259	2.2
109.06488	1.1
111.00787	3.9
112.01577	1.0
113.02337	18.3
115.00252	1.5
121.02824	1.1
123.00787	2.0
124.01549	3.2
125.02351	5.6
128.03438	2.7
129.01805	2.0
132.04457	0.8
136.01509	0.7
137.02310	1.2
137.67746	0.7
139.00330	1.8
143.03494	0.9
143.04491	3.4
144.04938	1.4
151.00279	2.2
152.01042	3.8
157.01360	2.0
160.00533	0.8
161.04495	1.1
163.03944	1.3
165.01907	1.3
165.05438	0.8
165.12808	0.9
169.01416	0.8
175.03918	2.1
176.04749	0.7
178.99760	1.9
179.03439	1.0
180.04237	2.0
189.05467	1.3
190.06296	2.0
191.07034	2.1
193.04991	2.9
194.05890	1.1
205.07091	2.0
205.08694	3.2
207.06537	1.3
207.13840	3.4
208.07373	1.9
209.11813	6.3
220.90308	0.8
225.14972	3.2
227.12852	17.7
228.13181	1.4
236.81982	0.7
249.06178	2.7
251.12936	1.4
255.02866	0.9
257.17694	0.8
260.06543	0.8
261.07831	0.7
263.07718	8.5
267.07333	1.5
269.13959	2.3
272.09048	1.4
273.09177	0.9
281.08813	8.5
283.10889	4.2
287.15030	10.9
291.07101	1.1
306.07611	3.8
307.07895	2.6
308.07095	0.8
309.08694	1.9
319.08188	5.0
323.09863	7.8
327.09744	1.9
343.17532	1.2
347.07669	5.3
347.14905	1.7
359.15045	18.6
360.15427	1.9
361.18597	5.8
362.18961	1.1
371.08517	1.3
403.11353	1.3
433.42343	0.7
475.21964	1.7
491.20386	1.4
501.19238	0.9
509.20370	3.1
519.12634	2.8
519.20831	5.8
520.20996	1.3
533.22424	8.4
534.22406	1.0
551.14484	9.5
551.23431	100.0
552.15277	1.7
552.23804	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	551.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07127	0.7
59.01253	17.8
68.69132	0.7
69.67226	5.5
71.01250	10.3
72.99171	1.7
77.19392	0.7
83.01263	1.0
85.02813	3.2
87.00756	1.3
89.02321	8.0
93.34123	0.7
95.01290	1.2
96.95888	2.2
98.20522	1.5
99.00734	0.9
101.02327	5.3
104.91249	0.9
113.02321	3.3
119.03364	2.6
121.02846	2.5
122.05986	2.2
132.04387	1.0
134.03603	1.1
136.97046	0.9
144.04460	1.2
146.05980	1.0
150.03114	1.6
151.03873	0.8
161.04414	1.0
165.01877	1.7
165.05467	2.4
188.03323	0.9
193.05042	4.2
195.06587	1.8
209.08286	1.1
210.07790	1.9
211.08578	1.7
224.09447	3.4
225.10292	1.2
234.07884	0.8
235.08612	1.1
236.09476	1.5
237.06271	1.0
237.08168	1.3
238.07428	4.7
239.08321	5.3
239.11865	3.6
240.08954	0.9
249.05127	1.1
251.08156	5.9
251.11760	2.2
252.09027	6.2
253.09770	7.4
254.10251	0.9
265.06238	3.9
265.09793	2.3
266.06958	7.6
267.07407	1.8
267.11362	15.7
268.11905	1.8
277.09821	2.2
279.07727	11.9
280.08533	38.4
280.11646	1.8
281.09015	4.1
284.12958	4.2
295.10880	100.0
296.11136	9.3
298.09583	0.9
309.08871	1.1
313.11844	1.2
319.08109	0.9
321.08853	2.3
327.13486	53.8
328.13812	5.0
329.54572	0.9
339.09848	64.0
340.10034	6.9
371.12482	89.9
372.12778	8.4
389.12772	1.5
403.11432	3.0
551.18762	19.3
551.27234	1.0
552.18927	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95118	0.9
57.03315	1.3
58.00457	0.9
59.01252	22.7
69.57149	2.0
69.57556	5.9
71.01253	10.0
71.74418	0.8
75.00727	1.6
85.02848	2.6
89.02310	6.5
97.68767	1.1
98.19814	2.0
98.46680	1.1
99.00735	1.0
101.02323	6.8
113.02325	3.3
117.03308	1.4
119.03389	3.5
119.04903	2.0
121.02810	1.5
122.06023	2.2
134.03644	3.4
139.91701	0.9
145.02802	2.4
150.03149	2.4
165.01871	0.9
165.05441	1.9
167.70883	1.0
174.05402	0.9
193.05002	3.5
204.02921	1.1
210.07744	1.3
224.09531	3.7
225.10292	2.0
227.11917	1.6
237.08052	1.8
238.07323	4.8
239.08179	4.9
239.11958	2.9
244.19334	1.0
251.08186	4.8
251.11774	2.3
252.09019	6.1
252.10178	4.0
253.09776	6.9
254.10275	1.1
255.02988	1.7
262.07413	1.7
265.06198	4.5
265.09567	1.4
266.06943	7.3
267.11441	14.4
267.71466	0.9
268.11871	1.4
277.09705	1.3
279.07794	7.9
280.08527	34.3
280.11621	1.6
281.09027	3.6
284.03394	1.3
284.12854	4.6
285.03912	1.2
293.09128	1.8
295.10873	85.1
296.11108	7.5
309.08496	1.2
309.75513	1.0
313.12006	1.3
319.08377	1.3
327.10428	2.4
327.13492	69.3
328.13834	7.6
339.09845	24.5
340.10236	2.5
353.11685	1.9
371.12473	100.0
372.12769	10.8
385.09894	1.0
389.12772	1.6
403.11420	8.7
404.11938	1.9
406.56180	1.0
469.62244	1.7
470.62830	1.4
478.76361	1.1
516.11072	1.0
551.18774	20.2
552.18829	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	550.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
58.02850	10.7
58.99470	1.8
59.01253	27.4
63.34653	0.7
66.03361	1.0
68.99687	0.8
69.00877	0.6
69.65249	3.7
70.02850	0.7
71.01251	8.7
72.00772	1.8
72.99171	0.8
73.02809	1.6
74.02345	21.7
75.00751	2.3
81.04455	1.1
82.02856	2.6
83.01254	1.7
84.04438	1.0
85.02825	5.7
85.03971	0.6
86.02361	10.6
86.98971	1.9
87.00751	1.9
87.05515	5.7
89.02324	1.6
90.00075	1.3
95.01274	1.4
96.04447	0.9
96.95879	0.8
97.02821	0.7
97.03958	2.4
98.02351	0.8
99.00764	1.6
99.04528	0.7
99.05524	16.9
101.02313	2.0
101.07085	3.2
102.05490	2.4
103.00240	1.0
107.06057	0.7
107.41247	0.6
109.02882	0.6
109.03943	3.5
109.07523	0.6
111.00726	0.8
111.05513	1.2
112.03934	2.0
113.02335	4.8
113.03448	1.1
116.01638	0.8
116.92790	0.9
119.03339	0.9
121.02811	0.9
123.05526	1.9
124.01573	1.0
124.03955	1.7
125.02349	1.3
125.03433	2.3
127.05045	2.9
128.03432	55.0
129.01749	0.9
129.03760	1.1
135.05548	4.5
137.07111	1.3
139.00275	0.8
141.06583	3.7
143.04529	65.1
144.04848	1.7
145.06097	2.8
146.04506	6.8
148.09717	0.6
149.07167	0.9
149.79468	0.6
151.11598	0.6
153.06583	4.6
155.08121	0.8
160.00642	15.1
160.03645	0.7
161.04417	0.7
166.09787	3.5
167.03331	0.7
167.04526	4.1
167.08179	2.8
170.03250	0.8
171.03998	1.1
171.07724	1.1
177.03317	6.5
179.04547	16.0
180.04630	0.6
181.06105	2.1
184.10835	0.8
185.05649	2.0
191.06966	0.7
192.07774	1.2
193.04984	0.9
197.05618	2.6
207.13788	0.9
209.11781	1.7
210.08798	16.3
211.08998	0.9
225.14827	1.0
227.12834	2.9
231.04593	0.6
242.07767	1.3
250.30592	0.6
254.07809	17.9
254.10329	1.1
255.08014	0.9
263.07828	1.7
267.07230	1.0
272.08881	30.8
273.09125	0.8
281.08905	0.8
283.10742	3.1
287.14981	1.9
288.06601	9.3
299.01968	0.7
301.03183	0.9
302.03891	0.7
306.07663	100.0
307.08023	5.3
311.10486	0.9
312.10709	1.3
316.10306	0.8
323.09863	1.9
327.09790	2.2
332.09225	4.4
345.11099	0.8
359.15082	3.7
361.18527	1.5
370.11087	1.0
371.09070	1.3
388.12140	1.2
392.07224	0.7
403.11435	1.3
430.13342	0.9
475.13602	1.3
490.15692	0.8
490.30234	1.7
506.09720	1.0
508.31046	0.8
519.12671	1.8
519.20898	1.7
519.52844	0.7
533.22101	2.4
550.21417	7.3
551.14581	1.8
551.23492	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	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47980	0.3
55.01759	0.6
56.85063	0.3
57.03328	1.4
58.00475	0.4
59.01252	100.0
60.01573	1.3
64.14254	0.3
69.03349	0.3
69.41225	0.5
69.41635	2.3
71.01255	13.7
72.99202	0.5
73.02821	3.0
83.01245	1.4
85.02820	5.9
87.00761	0.5
89.02324	5.9
89.02837	0.5
95.01268	2.3
97.02863	0.4
99.00784	0.6
101.02324	6.6
108.36477	0.3
113.01529	0.6
113.02332	12.3
114.02674	0.4
119.03397	2.0
125.02374	0.6
140.44193	0.3
143.03468	1.4
159.95044	0.3
161.04465	4.0
177.11775	0.3
179.05502	0.6
213.18550	0.6
256.99759	0.3
280.11417	0.3
314.14822	0.3
345.30072	5.8
346.30463	0.8
379.62759	0.3
489.34338	7.3
490.34988	1.3
507.35327	4.9
508.36215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85713	0.4
54.12225	0.3
55.01736	0.4
56.79711	0.3
57.03321	1.3
58.00461	0.4
59.01252	100.0
60.01590	0.9
64.92588	0.3
71.01257	12.2
71.35863	0.7
73.02819	3.6
83.01248	1.6
83.23213	0.3
85.02823	4.2
87.00762	0.7
89.02322	4.6
95.01292	1.6
97.02859	0.7
99.00778	1.1
101.02342	5.0
113.02332	12.8
119.03419	1.4
125.02380	0.5
143.03412	0.9
158.26945	0.3
161.04442	4.0
179.05583	0.6
192.73026	0.4
213.18582	0.7
238.72745	0.4
345.30103	6.8
346.30569	0.4
489.34280	10.2
489.41248	0.5
490.34915	1.3
507.35321	4.7
532.14172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
55.02140	0.3
57.03328	2.9
59.01251	100.0
60.01594	1.5
61.67387	0.3
69.03341	0.7
71.01256	15.8
72.99181	0.7
73.02823	4.7
75.00783	0.3
81.03307	0.3
83.01257	3.2
84.02052	0.3
85.02824	10.1
85.99955	0.4
87.00755	1.0
89.02325	2.9
95.01273	2.4
96.93124	0.3
97.02824	0.9
98.20486	0.8
99.00752	1.9
101.02319	9.3
102.86515	0.3
111.00786	0.8
112.01576	0.6
113.02332	10.0
114.02699	0.3
115.03934	0.5
119.03395	0.8
124.01579	0.5
125.02319	1.0
127.11173	0.3
137.61819	0.3
141.01819	0.3
143.03381	1.5
159.02930	0.6
161.04463	3.4
213.18491	2.0
224.39090	0.3
229.74934	0.4
277.87704	0.3
299.25916	1.3
300.60025	0.4
327.29181	0.5
335.95776	0.3
345.30063	6.3
346.30237	0.6
415.30396	0.3
441.32202	0.5
459.32907	0.6
489.34302	38.0
490.28354	0.3
490.34686	5.8
507.35403	20.5
508.35870	2.8
549.35938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
59.37432	0.2
64.95124	0.2
66.76322	0.2
66.76678	0.2
71.01244	0.5
72.99135	0.2
78.95783	1.4
79.95606	2.2
83.02361	0.2
83.04879	0.2
85.02835	0.2
87.00763	0.2
88.06584	0.2
90.99461	0.2
96.95890	100.0
97.95831	0.4
98.02354	1.4
98.19804	0.6
101.02343	0.2
102.93963	0.2
113.02357	0.3
160.03976	0.2
161.04253	0.2
174.66252	0.2
225.16154	0.2
267.07611	0.2
268.45883	0.2
311.10382	0.4
337.08511	0.3
355.09387	0.4
374.09204	0.2
387.12070	0.5
388.39362	0.2
474.70459	0.2
490.33902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	16.1
60.89717	0.8
69.39948	7.7
71.01258	2.6
73.46468	0.7
89.02331	2.7
101.02332	2.8
113.02371	1.0
119.03416	1.0
121.02887	1.5
123.75006	0.8
152.55316	0.7
157.48331	0.8
161.04474	2.0
165.01918	0.9
165.18770	0.7
165.38443	0.8
196.65575	0.9
235.08127	2.2
253.09283	12.9
253.21716	100.0
253.78177	0.8
254.09531	0.9
254.22060	9.3
371.99362	0.9
387.55856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
61.95416	0.8
71.01272	3.5
71.57879	1.4
78.95783	1.1
89.02325	2.6
101.02325	2.0
134.22643	0.8
161.04437	1.1
185.28766	0.8
235.08205	1.1
253.09332	10.8
253.21712	100.0
254.22122	8.4
258.33047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91138	0.2
55.01772	0.5
57.03330	3.0
59.01254	100.0
60.01590	1.2
61.98709	0.7
69.03339	0.6
70.34995	0.5
70.35384	0.6
71.01258	12.3
72.99186	0.9
73.02822	2.5
75.00765	0.3
78.95778	0.3
83.01247	1.4
85.02830	5.7
85.06503	0.4
87.00771	1.0
89.02323	3.7
95.01254	1.7
98.19864	0.3
99.00789	1.2
101.02325	5.7
107.03867	0.3
113.02331	10.3
119.03412	1.1
125.02371	0.7
127.11202	0.7
143.03404	0.8
159.02873	0.4
161.04462	3.4
179.05539	0.5
213.18579	1.5
241.17418	0.3
241.75351	0.3
255.19768	0.5
285.11542	0.6
299.25989	1.0
311.21967	0.4
345.30087	8.9
346.30530	0.7
441.32147	0.7
489.34335	21.3
490.34735	2.8
507.35382	7.0
508.36139	1.0
549.28882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32517	1.4
57.03320	3.9
59.00990	1.8
59.01255	24.1
59.68409	1.1
69.03308	1.2
69.75420	3.6
69.75835	4.5
71.01250	13.5
71.04887	1.6
72.99171	3.6
73.02821	4.3
75.00740	6.1
76.19666	1.1
79.05432	1.2
84.43914	1.1
85.02834	14.0
87.00755	4.9
89.02319	3.9
90.08015	1.4
95.01279	2.8
95.04887	1.5
96.95880	1.7
99.00758	4.0
101.02345	3.7
107.04916	1.7
109.02827	2.2
109.42798	1.2
111.00747	1.2
113.02332	16.6
115.00255	1.8
117.01841	1.5
119.04905	1.7
121.02827	4.0
123.00736	3.3
129.01807	2.1
136.01564	43.7
137.02348	8.8
143.12900	1.2
149.09639	2.4
151.00290	10.6
151.03922	62.3
152.04344	2.7
160.05191	1.7
161.02301	1.4
166.02637	28.1
175.03952	1.9
175.11218	4.1
177.01927	2.1
181.05000	35.7
191.03395	1.4
193.04961	1.7
205.05028	2.2
221.08218	1.1
237.11220	3.3
249.06117	11.0
267.07205	30.5
268.07608	1.7
271.02570	1.2
281.10361	3.4
299.11328	1.6
327.04965	2.0
327.12354	5.1
329.10303	2.2
357.09808	15.3
372.12009	6.5
387.14493	100.0
388.14728	11.9
531.17194	2.3
549.18134	6.3
549.26495	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.6
59.01252	19.2
63.36213	0.7
69.03315	1.2
69.64225	2.6
69.64639	1.9
71.01259	10.6
72.99183	2.9
73.02811	2.5
75.00743	4.9
81.03341	0.7
83.01270	1.0
85.02829	9.0
87.00735	3.4
89.02335	3.2
89.15118	0.7
91.00105	0.6
93.03306	1.0
95.01266	2.8
96.95858	0.9
98.20550	0.8
99.00777	3.6
99.01336	0.7
101.02322	2.8
103.00207	0.9
107.04933	0.9
108.02089	0.7
109.02847	2.4
113.02341	12.0
113.05928	0.7
117.01824	1.3
121.02827	3.4
123.00771	1.4
123.04391	0.9
125.02361	0.9
129.01808	0.8
131.03392	0.9
136.01566	40.4
137.02406	6.1
149.02350	1.3
149.09698	1.4
151.00281	8.2
151.03922	52.0
152.04376	2.4
159.04433	1.1
160.05122	0.8
161.04459	1.0
163.03905	1.0
165.01785	1.3
166.02626	24.2
167.03293	1.9
170.57504	0.6
170.99490	0.7
175.03876	0.9
175.07500	1.0
175.11211	2.3
177.01833	1.6
177.05435	1.1
177.09145	0.6
181.04991	30.8
182.05365	1.0
188.04669	0.7
190.06305	0.7
193.05011	1.0
205.05072	1.4
209.11670	1.1
237.11278	1.6
249.06123	9.9
267.07208	18.5
268.07526	1.4
281.10349	2.2
299.11288	0.9
299.18677	0.7
309.08279	2.0
327.05087	1.2
327.08728	0.7
327.12476	1.6
329.10260	1.9
341.13977	0.9
357.09814	10.9
358.10281	1.3
358.89529	0.9
372.12161	7.4
373.12802	0.9
374.67395	0.8
387.14505	100.0
388.14771	11.5
489.17151	1.1
509.81778	0.8
531.17273	1.2
531.24658	2.1
549.18048	3.9
549.25867	9.9
550.25916	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	549.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63671	1.3
53.23927	1.3
55.01758	3.5
57.03322	8.1
58.00465	2.0
59.01253	71.4
60.01580	1.7
60.32120	1.3
60.42971	1.4
60.60575	1.2
68.99686	4.4
69.03315	3.5
71.01257	42.8
71.04886	6.1
71.58279	2.0
72.99185	13.6
73.02827	10.9
75.00752	29.5
79.05411	8.5
81.03318	2.1
83.01251	4.0
83.04892	5.1
85.02826	41.7
86.03175	1.6
87.00752	17.4
89.02316	14.6
91.03878	1.7
93.03326	2.9
95.01273	9.5
95.04899	5.9
96.95897	5.8
97.02857	3.4
97.06422	2.1
99.00764	16.0
99.04380	1.6
101.02336	8.0
103.00230	6.2
107.04938	2.0
108.24297	1.5
109.02837	2.5
109.06493	2.8
111.00766	2.8
111.04369	1.4
113.02337	54.2
113.05951	5.1
113.07392	1.5
115.00272	5.0
115.03900	3.4
117.01817	2.8
119.03383	2.0
121.02814	3.6
121.06507	2.0
123.04379	4.4
125.02317	2.5
125.05972	2.2
129.01833	6.5
131.03374	2.3
135.04338	2.0
136.01517	2.4
137.02364	2.6
137.72188	1.4
139.00302	1.4
147.04382	2.0
147.11699	3.2
149.04463	2.6
149.09613	12.1
151.00238	4.0
151.03835	4.2
157.01288	2.7
161.04489	2.1
161.05952	1.8
165.01819	2.8
165.05466	2.0
173.05893	1.9
175.02364	4.1
175.03873	1.8
175.07567	2.1
175.11215	24.6
176.11586	1.7
177.09134	7.9
181.05016	2.9
193.03444	4.2
193.08609	5.1
193.12297	3.2
205.07072	2.0
209.11694	4.9
211.09747	2.2
219.10202	8.6
221.08104	3.0
228.57881	1.6
231.05122	2.9
237.11249	12.0
239.09204	1.4
248.12405	1.4
249.06131	46.7
250.06360	2.7
255.02995	1.8
258.09259	1.6
267.07211	100.0
268.07489	5.3
271.02454	2.8
281.10355	14.1
297.11285	1.5
299.11365	10.0
300.02499	3.2
301.03439	2.3
301.07004	2.5
311.10266	2.0
312.10132	1.8
327.12268	8.8
345.06116	1.8
365.11099	2.0
387.14523	4.4
404.39029	1.5
443.15704	2.7
469.16318	2.1
473.16870	2.3
489.15799	5.2
505.08997	1.9
507.28149	1.8
515.17426	2.0
516.18237	4.8
531.17133	6.6
533.35315	1.6
535.56726	1.6
549.18079	55.2
549.27179	7.3
550.18250	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72566	0.2
59.01261	1.4
77.03842	1.9
93.03327	0.5
121.02847	100.0
122.03170	4.2
125.25699	0.2
131.57190	0.2
140.67104	0.3
147.04427	0.3
165.01846	57.9
166.02217	2.2
180.05693	0.5
181.06511	2.8
197.06030	2.8
207.04494	0.8
207.08134	0.3
223.04041	0.2
225.05490	1.0
229.75435	0.3
252.75177	0.3
257.09882	0.5
301.08533	0.3
313.07239	1.4
325.91617	0.3
357.06195	1.0
383.07693	0.7
417.09753	2.2
418.10364	0.4
505.11490	1.6
516.35089	0.3
549.10388	22.6
550.10712	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
59.01253	55.5
61.98700	1.1
67.01765	0.9
69.03316	0.8
71.01260	6.2
72.23243	0.7
72.99174	1.9
73.02826	1.7
75.00740	2.3
77.60416	0.9
83.01254	1.0
84.95008	0.9
85.02831	2.4
87.00782	1.5
89.02309	2.9
91.05377	2.3
95.01273	1.2
98.20508	1.7
99.00780	1.5
101.02309	2.3
104.58255	0.8
107.01276	1.0
108.02056	1.6
109.02839	12.5
113.02314	2.6
119.03418	0.7
121.02073	1.0
121.02864	8.6
125.02313	1.0
130.08688	0.9
134.03630	2.9
135.04422	27.5
137.02325	2.2
145.02821	1.0
147.04453	5.6
148.05249	1.9
149.02379	0.8
151.00224	1.4
163.03917	7.1
165.03984	1.2
165.05513	0.8
175.02405	1.1
183.13835	1.6
196.44247	0.8
215.07002	1.1
218.40318	0.9
241.08609	0.8
255.06552	1.5
256.07300	2.0
262.11826	1.5
267.06723	3.7
270.05255	1.0
283.19186	1.8
285.07687	100.0
286.07990	9.6
345.09665	1.6
486.01547	0.9
505.26523	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01257	4.3
71.58051	1.3
72.99187	0.7
73.02841	1.9
75.00759	2.3
78.95782	0.8
80.48369	0.6
83.01283	1.0
85.02838	3.0
87.00752	1.1
89.02332	2.7
95.01279	0.7
97.02843	0.6
99.00806	1.3
101.02348	2.4
113.02326	2.8
121.02858	0.6
149.02362	1.0
152.99524	0.9
161.04575	1.0
166.02690	0.6
249.06322	0.8
267.07358	1.4
271.06122	4.7
286.08441	4.4
301.10706	4.8
302.11310	1.0
403.40930	0.6
422.56644	0.6
429.24872	4.3
447.26248	2.4
451.37329	0.6
489.26874	1.1
505.55521	0.6
549.25781	1.4
549.33203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00178	0.8
55.01738	1.4
57.03314	1.9
59.01256	100.0
60.01592	1.4
67.37479	0.7
69.42129	5.5
69.42537	1.6
71.01254	16.9
73.02816	3.7
80.31070	0.7
83.01273	3.9
85.02829	10.9
87.00774	1.4
89.02328	3.4
89.62732	0.7
93.06982	2.9
95.01260	1.8
97.02817	1.2
97.18255	0.9
99.00770	2.7
99.01377	0.7
101.02328	11.5
102.91108	0.8
113.02338	10.5
119.03397	1.0
125.02400	1.1
143.03368	0.9
147.46640	0.7
153.82608	0.7
159.02896	2.0
161.04471	9.4
213.18498	1.1
343.28604	1.5
357.22769	3.5
368.78323	0.9
375.23984	4.5
393.49551	0.9
469.31766	1.2
487.32706	26.0
488.33377	4.0
505.33798	16.9
506.33914	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.089
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.94564	4.5
57.03341	8.9
58.02838	4.4
59.01245	75.0
71.01255	41.7
72.99197	7.6
73.02832	7.9
74.02345	15.7
75.00750	18.5
83.01267	5.7
85.02813	23.0
86.02371	9.3
87.00771	7.6
89.02335	15.9
95.01267	9.3
96.95889	6.0
99.00784	8.9
99.05535	7.8
101.02337	13.3
109.02803	5.2
109.03967	4.7
111.00790	5.9
113.02332	24.3
115.00276	6.5
123.31915	4.2
127.28924	4.6
128.03412	33.4
128.04274	5.1
141.06610	4.1
143.04543	42.2
146.04619	4.9
151.00291	15.5
160.00609	8.0
160.03951	11.1
165.01826	5.3
178.99896	5.8
179.04549	8.6
182.90488	3.8
188.03455	8.5
193.94905	3.8
210.08893	8.5
218.04550	7.7
241.06239	4.9
243.03020	12.2
249.06154	13.4
254.07805	9.4
255.02979	35.6
255.07657	8.0
267.04416	4.6
267.07391	18.5
267.11276	7.7
268.09686	5.1
271.02454	75.0
272.03006	12.4
272.08905	15.8
280.04953	5.6
281.05698	8.8
281.09094	9.6
293.09219	6.4
295.07275	10.2
296.08221	5.9
299.02057	5.5
300.02750	100.0
301.03387	39.6
306.07666	62.4
309.08774	16.2
311.10358	60.3
315.09836	16.7
321.11096	4.3
327.09836	8.0
337.08200	25.8
355.09552	22.6
369.10840	57.0
377.09802	5.7
387.11917	45.9
403.12311	4.3
429.13095	9.8
459.13837	6.2
463.09479	5.6
489.15210	18.2
490.30927	5.1
505.09778	66.6
506.09958	9.6
517.14716	5.9
531.23914	4.9
549.16010	29.9
549.25073	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	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17665	0.3
53.61703	0.3
55.01761	1.3
57.03323	1.9
58.00468	0.4
59.01252	100.0
60.01599	0.8
61.98709	0.4
69.03329	0.6
71.01254	19.2
72.01602	0.3
72.99219	0.5
73.02822	4.9
75.00760	0.7
82.85044	0.3
83.01264	3.4
85.02824	10.1
85.99977	0.4
87.00764	1.3
89.02315	5.2
93.06973	2.0
95.01266	2.1
97.02836	1.1
97.06489	0.3
99.00759	2.2
101.02325	11.0
102.02674	0.3
107.47155	0.3
111.00751	0.7
111.08025	0.5
112.01519	0.3
113.02332	12.4
115.03925	0.7
119.03405	1.9
124.01578	0.5
125.02307	1.7
127.11161	0.5
143.03433	2.3
159.02902	0.9
161.04469	7.6
162.04861	0.3
213.18526	3.2
317.02991	0.3
321.61996	0.3
343.28503	1.7
357.22870	3.5
365.11185	0.5
375.23724	2.8
469.31857	0.8
487.32761	21.6
488.32968	3.3
505.33804	15.1
505.41168	0.6
506.34042	2.1
546.33478	0.4
547.23999	0.4
547.35181	0.5
570.40417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03324	1.6
58.00461	0.4
59.01251	100.0
60.01590	1.0
61.98700	0.3
62.17338	0.1
69.03323	0.4
69.27309	1.4
71.01254	16.8
72.01600	0.3
72.99183	0.6
73.02822	5.4
75.00745	0.3
77.37021	0.2
83.01259	3.2
84.02059	0.2
85.02825	8.8
85.99983	0.4
87.00756	1.1
87.04440	0.1
89.02317	3.4
93.06972	2.1
95.01266	1.9
97.02811	0.7
99.00761	2.5
101.02324	10.7
102.02692	0.3
111.00748	0.9
111.08057	0.6
112.01541	0.3
113.02330	9.9
114.02668	0.3
115.03899	0.4
119.03386	1.1
124.01585	0.4
125.02362	0.9
129.01834	0.4
131.03450	0.2
143.03410	1.7
143.04442	0.2
159.02885	1.6
161.04466	8.1
162.04805	0.3
179.05522	0.4
197.15425	0.6
205.03424	0.3
213.18536	1.8
216.40163	0.1
255.19696	0.1
325.27509	0.2
343.28418	1.4
344.29150	0.2
357.22818	3.7
358.23166	0.4
375.19144	0.3
375.23865	4.6
376.24240	0.5
409.29446	0.1
421.28864	0.2
427.30542	0.3
439.30692	0.3
451.30981	0.2
457.31677	0.3
469.31732	0.9
487.32761	22.8
488.33032	3.3
505.33817	15.9
506.34113	1.8
547.34668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03329	2.8
58.00471	1.2
59.01254	100.0
60.01598	1.1
61.07159	0.2
69.03340	0.5
70.17142	0.2
71.01257	23.0
72.01604	0.4
72.99187	1.4
73.02824	6.0
75.00767	0.7
83.01264	3.3
83.04890	0.2
85.02828	7.4
85.06463	0.3
87.00758	2.1
89.02323	14.4
93.06973	1.2
95.01282	2.3
97.02868	0.7
97.88232	0.2
98.20623	0.7
99.00765	1.2
101.02327	16.3
102.02690	0.3
108.53164	0.2
111.00785	0.7
111.08064	1.1
113.02336	11.6
113.04941	0.2
114.02689	0.3
119.03392	6.9
119.04250	0.4
120.03841	0.3
123.08089	0.3
125.02299	1.1
127.11197	1.5
129.01862	0.4
131.03438	0.9
135.08090	1.0
143.03410	2.1
149.04491	0.6
153.09180	0.3
159.02936	0.5
161.04475	4.0
161.05788	0.2
171.46359	0.2
171.47842	0.2
179.05531	2.8
197.11783	0.8
198.12250	0.3
199.12219	0.3
213.18542	7.0
214.18918	0.4
230.18805	0.3
253.09322	0.6
254.09715	0.5
255.09822	0.5
262.32693	0.2
282.05273	0.3
291.19736	0.5
292.20151	0.4
293.20471	0.6
309.20636	1.1
310.21246	1.1
311.21317	1.5
325.27661	0.9
341.49744	0.2
343.28427	3.2
343.32217	0.3
344.29016	0.4
355.28604	0.4
367.28506	2.3
369.30084	0.3
409.29712	0.3
439.30823	0.7
470.35220	0.3
487.32813	13.8
488.33060	2.3
505.33875	10.4
506.34201	1.3
547.23743	0.4
547.31134	2.2
548.31500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11531	0.3
54.11050	0.3
55.01759	0.8
57.03326	1.3
58.00463	0.7
59.01255	100.0
60.01594	1.6
69.03341	0.6
70.02286	0.4
71.01257	18.7
71.04902	0.6
72.99195	0.8
73.02824	5.5
81.03341	0.4
83.01266	2.5
85.02830	7.6
87.00781	1.5
89.02325	11.3
93.07001	0.9
94.17885	0.3
95.01277	2.3
97.02869	1.2
99.00747	1.7
101.02328	11.9
111.00755	0.6
111.08094	0.9
113.02334	11.6
114.02715	0.5
119.03400	3.7
120.03788	0.3
123.08109	0.4
125.02374	1.0
129.01796	0.3
131.03433	0.5
135.08105	0.6
138.80894	0.4
143.03406	2.2
159.02943	0.5
161.04463	3.6
179.05516	1.9
197.11806	0.8
211.13297	0.4
211.16948	0.5
213.18533	3.8
253.09372	0.9
254.09601	0.6
255.09874	0.9
271.46780	0.4
291.19745	1.3
292.20001	1.2
293.20514	1.2
309.20685	1.9
310.20984	2.2
311.21393	3.2
325.27612	0.4
343.28503	3.2
367.28363	1.5
487.32770	11.8
488.33218	1.5
505.33868	7.9
506.34268	1.1
547.34369	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	547.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45143	0.6
57.03320	1.5
59.01253	100.0
60.01586	2.5
65.00197	5.1
65.26511	0.6
71.01260	14.9
72.99200	1.3
73.02829	3.7
75.00752	1.2
83.01268	1.8
85.02823	6.6
87.00748	0.9
89.00249	1.0
89.02312	7.6
89.03863	1.0
90.02636	0.7
91.01775	1.1
93.03385	0.9
95.01280	2.2
96.95926	0.9
97.02848	3.1
98.20502	1.4
99.00777	2.5
99.54735	0.6
101.02328	6.4
113.02332	10.5
114.02696	1.3
116.44765	0.6
119.03407	2.7
121.02844	5.7
124.01547	0.8
125.02357	0.9
133.02843	8.6
134.03661	1.5
143.03380	1.1
149.99542	1.2
155.17516	0.7
161.04436	3.7
163.00388	0.8
165.01849	35.3
166.02217	1.8
175.03923	0.8
179.05522	0.9
193.05128	1.0
196.05299	0.7
198.03194	0.9
211.04008	1.0
212.04787	1.3
213.05551	1.0
214.02565	3.3
223.48080	0.7
229.05008	5.8
231.06615	0.9
239.03462	1.0
240.04208	5.4
243.06732	0.9
249.06116	1.0
254.05779	1.5
255.02943	3.6
255.06639	2.7
256.03717	2.3
257.04443	1.1
271.06055	5.6
283.02600	2.2
283.06210	6.7
284.03287	4.1
299.05606	81.1
300.05988	7.3
340.26648	0.7
341.06476	1.1
343.28656	1.4
371.09692	3.6
374.22211	0.9
402.26611	1.2
486.31595	2.9
487.32800	7.0
503.11978	8.0
504.12793	1.5
504.32709	2.0
505.33914	3.5
547.15210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11725	0.7
53.98949	0.7
55.01747	1.2
57.03314	4.4
57.39389	0.8
58.00442	1.0
59.01251	64.2
60.01561	1.4
67.01750	1.8
68.26574	0.6
68.99668	0.9
69.55637	1.9
69.56047	4.9
71.01255	23.8
72.99184	6.4
73.02814	5.0
75.00362	1.0
75.00745	15.1
77.21901	0.7
81.51705	0.8
83.01218	2.3
85.02826	22.8
87.00758	7.3
89.02319	5.6
89.03819	1.0
93.03350	0.9
95.01263	5.7
96.95853	2.9
98.19817	1.8
99.00757	13.3
101.02315	6.0
103.00227	2.0
111.00772	1.1
113.02340	28.2
114.02629	1.3
115.00209	2.8
117.01805	2.8
117.03316	2.7
119.03373	1.1
121.02845	87.3
122.03149	3.7
129.01813	1.5
131.03415	1.1
132.02084	1.7
133.02850	4.6
134.03633	35.6
135.03963	1.1
137.02263	1.0
149.05952	3.2
157.01317	1.3
160.01573	9.5
161.02287	1.5
161.04459	5.0
175.02382	3.1
175.03877	11.2
177.01799	0.9
193.03423	3.6
193.04996	20.1
194.05313	1.6
231.04988	2.8
249.06038	8.6
310.21216	0.9
343.28387	1.7
353.08762	3.4
363.10791	0.9
371.09821	100.0
372.10236	8.6
381.12106	1.1
393.08487	0.9
425.10947	5.3
469.31693	1.1
486.31305	2.5
487.32602	9.6
504.32626	1.7
505.33551	4.4
529.13721	1.1
547.14612	38.7
548.14838	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	545.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03330	1.3
58.00454	0.9
59.01254	100.0
60.01593	1.2
69.03331	0.5
71.01257	24.4
71.04921	0.4
71.06950	0.5
72.99185	1.6
73.02818	5.8
75.00755	0.5
81.03352	0.2
83.01261	2.9
84.02051	0.4
85.02828	8.3
86.03128	0.2
87.00755	1.6
88.98721	0.2
89.02320	15.2
90.02678	0.2
93.06977	0.6
95.01269	2.7
96.95882	0.3
97.02833	0.7
99.00768	1.9
101.02326	14.6
103.06745	0.2
108.54448	0.2
111.00697	0.3
111.08014	0.5
112.01539	0.2
113.02336	17.3
114.02682	0.5
116.92715	0.3
119.03396	8.0
124.01544	0.3
125.02380	1.0
125.09595	0.4
129.01834	0.3
131.03397	1.1
137.09630	0.2
143.03413	2.4
143.04445	0.4
145.02815	0.3
149.04436	0.8
159.02834	0.7
161.04477	7.0
162.04764	0.3
163.11127	0.2
171.10123	0.7
172.95551	0.2
179.04146	0.3
179.05550	3.9
181.12213	0.4
201.11243	0.2
207.10167	0.3
208.93312	2.4
209.11815	0.4
211.16982	0.3
225.11183	0.5
243.12277	0.4
251.16327	0.3
251.27409	0.2
253.09410	1.0
274.39557	0.2
291.19690	0.8
306.07587	0.2
309.20718	3.3
310.20914	0.4
317.15988	0.2
341.26575	0.5
355.20822	0.7
373.22336	3.7
374.22409	0.4
412.85727	0.2
467.30234	0.9
485.31238	9.1
486.31516	1.6
487.24799	0.2
503.32266	6.2
504.31799	0.7
527.28156	0.4
545.32690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03326	1.6
58.00463	0.3
59.01251	100.0
60.01574	1.2
61.98714	0.3
68.99635	0.2
69.03333	0.6
69.48485	0.9
69.48897	0.7
71.01255	18.7
71.04903	0.2
72.01591	0.3
72.99193	0.8
73.02818	5.3
75.00764	0.4
81.03359	0.2
83.01263	2.9
85.02824	10.4
85.99984	0.3
87.00769	1.2
89.02316	6.3
93.06976	1.6
95.01266	1.9
95.01753	0.2
96.95905	0.6
97.02863	1.0
97.06494	0.2
99.00747	2.2
101.02322	12.1
102.02654	0.2
111.00764	0.6
111.08064	0.6
113.02332	14.4
114.02694	0.5
115.03909	0.2
118.73072	0.2
119.03377	2.1
124.01566	0.3
125.02386	1.1
125.03216	0.2
129.01932	0.3
131.03424	0.4
135.04269	0.2
141.01871	0.2
143.03397	1.9
153.12708	0.3
159.02904	1.4
161.04463	9.4
162.04881	0.4
179.05536	0.7
205.03455	0.3
211.16986	1.0
249.06317	0.4
255.03078	0.2
265.14536	0.3
313.05853	0.2
323.25980	0.5
341.26920	1.0
348.11789	0.2
355.21277	2.5
373.22308	3.7
374.22897	0.4
437.28848	0.3
455.30191	0.3
467.30389	0.9
485.31192	19.9
486.31552	3.1
503.32269	13.9
504.32523	1.9
545.22162	1.3
545.30170	0.2
545.34106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03319	1.2
57.81267	0.5
58.00471	1.0
59.01251	22.2
61.21119	0.6
66.00187	0.5
69.03336	1.0
69.86241	0.5
71.01257	13.1
72.99201	1.0
73.02819	1.8
75.00777	0.5
83.01263	1.3
83.04898	0.7
85.02822	2.9
87.00760	1.2
89.02322	10.8
91.89413	0.5
93.06985	0.6
95.01290	1.6
97.02831	1.6
97.06487	0.5
98.20644	1.1
99.00791	1.0
101.02326	12.2
111.08039	19.0
112.08404	1.0
112.96931	0.5
113.02338	5.7
119.03382	3.5
125.09669	0.6
127.07539	0.8
137.09624	0.7
141.09119	0.6
143.03435	1.5
145.77441	0.5
153.09105	0.7
153.12781	1.8
161.04440	6.2
165.02248	0.6
169.12245	6.4
170.12645	0.8
170.36775	0.6
171.10187	1.6
179.05583	2.1
179.10657	1.1
181.12282	1.2
197.11768	90.2
198.12131	4.9
199.13353	6.4
211.13342	8.9
212.13733	0.8
225.14838	0.7
227.12906	2.2
247.20572	0.8
253.09270	48.3
254.09515	2.9
263.20139	4.4
264.20468	0.8
265.18198	2.9
266.18402	0.6
273.18591	1.4
291.19662	28.7
292.20007	3.4
309.20709	100.0
310.21045	8.5
503.32626	0.8
545.32544	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38365	0.4
55.01735	0.6
57.03308	0.9
59.01254	30.6
69.03310	0.5
69.24818	0.6
69.25158	5.3
69.33915	0.5
69.58858	0.4
71.01258	10.0
72.99178	1.2
73.02824	2.9
80.81403	0.4
83.01263	1.9
85.02834	3.8
87.00774	1.3
89.02314	5.7
95.01282	0.9
97.02836	0.8
97.06473	1.1
99.00748	1.6
101.02324	8.4
113.02343	6.0
113.09603	1.8
115.07533	1.3
119.03405	1.6
124.36707	0.4
134.62024	0.5
139.11140	0.7
141.09140	0.8
143.03386	0.7
145.02835	0.5
151.11148	0.7
161.04466	3.1
163.11211	0.5
165.12750	1.8
167.10651	0.8
167.14317	1.5
171.10220	0.4
179.05501	0.9
181.12299	2.5
183.13840	1.3
185.11758	0.8
186.53046	0.4
193.12291	1.2
193.15973	0.8
195.13878	2.2
196.08325	0.5
209.11833	1.0
211.13292	3.2
221.15456	2.0
229.14513	1.1
240.13718	0.8
242.15213	0.6
247.20592	3.7
248.20784	0.6
253.09267	18.9
253.21417	0.5
254.09689	0.8
255.16043	0.5
273.18616	2.4
281.21204	1.4
291.19681	30.0
292.20016	1.8
309.20712	100.0
310.21036	7.9
459.33371	0.8
485.31088	1.8
503.32477	1.2
513.26855	0.7
545.32251	7.8
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	543.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.7
57.18543	6.5
58.79026	6.2
59.01254	50.6
60.99152	11.7
61.98699	12.1
62.06749	6.5
71.01267	37.3
72.99183	84.2
75.00744	25.5
80.96389	23.3
81.03342	12.6
83.04897	41.4
85.02831	33.3
87.00741	9.8
88.98679	100.0
89.02302	13.2
89.99036	11.0
90.01865	16.6
90.99097	16.3
91.00262	33.6
93.95427	6.9
96.95889	17.0
97.06477	8.0
99.00813	9.6
101.02322	18.9
113.02335	27.2
113.03436	7.3
117.03345	14.5
119.04890	8.3
125.02351	29.2
130.10757	7.3
139.89601	6.4
145.02866	19.8
149.04475	6.1
150.89229	7.8
165.47742	7.1
172.07156	9.1
204.69899	7.9
205.07031	16.7
207.14941	9.4
224.17645	19.8
225.16037	19.0
227.03487	10.6
230.39290	8.2
253.80110	6.8
255.02905	14.4
267.07278	42.8
284.03241	15.5
285.03735	10.2
333.22940	7.9
398.23959	12.1
447.29733	21.5
448.29684	9.3
449.31299	23.1
450.31616	26.7
451.32932	99.0
452.33447	17.2
461.62299	28.3
462.12881	11.4
465.30640	13.6
466.31122	21.0
525.16272	20.8
525.75232	8.2
543.20215	12.8
543.27856	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01586	0.8
70.87241	1.1
71.01258	1.4
73.02839	0.9
78.95768	2.1
80.96410	0.6
85.02840	1.2
96.95898	0.6
101.02322	2.7
110.98438	0.8
113.02372	0.7
118.73425	0.3
123.02592	0.4
133.02818	0.9
134.03685	0.9
135.04399	0.6
148.05179	0.5
160.01591	1.2
161.04495	1.4
167.01126	0.9
175.03923	2.6
178.94307	0.4
179.03423	0.6
193.05000	0.7
220.24022	0.4
223.08218	5.9
275.20480	0.5
277.21722	40.1
278.22089	4.1
364.96991	0.4
451.25125	0.8
469.26154	0.9
470.26001	0.5
543.21387	0.8
543.29852	2.9
544.30225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03334	1.4
58.00480	0.5
59.01253	100.0
60.01581	1.1
61.98706	1.0
69.03334	0.7
71.01255	22.5
71.04936	0.4
72.01631	0.3
72.02044	0.4
72.99188	1.3
73.02821	6.3
75.00755	0.4
78.09512	0.3
78.95792	0.5
83.01254	2.4
83.04926	0.3
85.02827	8.7
87.00768	1.2
89.02322	8.8
95.01269	2.8
96.11622	0.3
96.95896	0.4
97.02876	0.5
97.06497	0.5
99.00763	2.5
101.02328	11.1
102.02653	0.5
108.94356	0.3
109.06516	0.5
110.73848	0.3
111.00729	0.4
113.02332	17.7
119.03386	3.2
121.02843	0.3
123.08073	1.0
124.01617	0.4
125.02372	0.8
125.09640	0.5
129.01854	0.5
131.03432	0.5
137.02382	0.9
141.09103	0.5
143.03423	1.6
149.04459	0.7
153.09248	0.3
159.02921	0.9
161.02463	0.4
161.04485	8.5
161.05838	0.6
162.04828	0.3
171.10207	1.3
179.05640	1.1
239.16484	1.5
267.07101	0.5
289.18207	1.2
299.56937	0.3
307.19308	0.4
339.25620	1.1
383.20746	4.5
401.21811	2.9
401.43439	0.4
428.09616	0.4
465.28766	0.7
483.29666	14.1
484.29993	2.3
501.30728	7.1
502.31534	1.1
525.30920	0.5
543.27704	1.0
544.26379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03333	1.6
58.00469	0.5
59.01256	100.0
60.01591	1.2
60.01872	0.3
61.98708	0.9
67.93860	0.3
69.03348	0.8
71.01261	21.0
71.58691	0.5
72.02059	0.3
72.99192	1.3
73.02827	4.9
75.00760	0.7
83.01278	2.2
85.02826	8.6
87.00764	1.2
89.02325	7.5
93.03358	0.6
95.01264	2.3
96.95904	0.5
97.02854	0.8
97.06470	0.8
99.00773	2.9
101.02332	10.8
102.02648	0.3
111.08028	0.4
113.02338	15.6
114.02669	0.5
119.03400	2.7
123.08073	0.9
125.02377	0.8
128.03462	0.3
129.01883	0.4
131.03458	0.5
132.99171	0.3
135.04410	0.3
137.02364	1.2
141.09201	0.4
143.03436	1.5
143.04427	0.3
145.02763	0.4
153.09102	0.3
156.32208	0.3
159.02914	1.3
161.04471	6.6
171.10217	1.1
179.05559	1.2
193.33191	0.3
205.03490	0.4
239.16548	1.1
265.69449	0.3
289.18250	0.8
290.97021	0.3
339.25549	1.0
371.20944	0.6
383.20813	3.6
384.21365	0.3
401.21820	3.1
428.09811	0.4
447.27216	0.3
465.28372	0.4
483.29709	11.7
484.30029	1.8
501.30762	4.8
502.31400	1.2
525.16278	0.3
543.20483	0.3
543.28406	0.9
544.26593	0.3
565.47961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41915	8.9
59.01252	100.0
61.98721	21.6
69.93204	39.7
71.01262	38.6
71.04880	8.2
73.02827	17.0
85.02837	12.5
89.02323	15.9
97.06477	10.6
98.20560	10.1
101.02339	24.2
110.84763	6.8
113.02360	21.1
113.24207	7.0
125.09627	14.8
135.97658	7.9
151.11205	12.0
164.20886	8.0
165.12781	14.3
171.10146	8.0
181.12288	17.8
209.11768	35.3
211.13330	25.0
225.11360	22.5
243.12405	11.2
253.09264	28.9
263.20337	11.9
277.21658	14.1
284.12469	8.1
289.18091	19.6
307.19177	62.1
317.16043	12.2
359.72290	9.0
383.75751	8.5
457.28036	14.2
499.29251	55.9
511.29327	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61959	0.6
55.01750	1.9
55.10269	0.6
57.03327	1.4
58.00472	2.4
59.01255	100.0
60.01608	0.9
69.03313	0.9
70.32239	2.1
71.01259	33.7
72.01598	0.7
72.99176	1.5
73.02823	10.6
75.00777	0.6
81.03323	0.8
83.01269	4.5
85.02832	12.0
87.00767	2.1
89.02325	14.1
95.01277	3.8
97.02823	1.1
99.00740	3.2
101.02330	16.2
103.32932	0.6
113.02334	25.5
114.02631	0.9
119.03381	5.0
125.02378	1.0
131.03415	0.8
133.04292	0.6
143.03426	1.7
143.73953	0.7
155.60010	0.7
161.04480	5.9
179.05681	1.3
195.13890	2.7
225.11314	0.9
252.19885	0.7
253.09178	0.7
339.18134	4.0
339.25323	0.9
357.19412	1.0
483.29636	15.5
484.29968	2.1
501.30630	6.0
502.31094	0.9
543.31927	22.4
544.32422	2.7
569.17004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03321	3.8
59.01256	12.6
63.70654	0.7
64.19858	0.8
69.03326	0.9
71.01256	3.2
71.04907	7.1
73.02837	0.8
83.04897	1.3
85.02827	0.9
86.91671	0.8
89.02329	1.5
95.04904	1.2
97.02838	7.2
97.06462	5.8
99.00758	41.4
101.02303	1.3
106.04128	1.3
109.06467	1.5
110.03610	1.1
113.02304	1.2
123.08029	2.5
125.09617	16.5
135.08035	1.8
135.46162	0.9
136.05205	1.8
142.02625	3.0
145.10158	1.1
153.12770	1.0
155.14307	2.0
161.09685	0.9
163.11224	14.5
179.10648	1.8
181.12276	38.0
182.12657	2.6
197.11795	2.3
199.11482	1.0
199.13335	19.5
200.13565	0.9
207.10220	60.7
208.10583	3.3
225.11295	100.0
226.11629	6.9
243.12375	96.6
243.14973	2.0
244.12668	5.8
299.15085	3.1
300.83578	1.0
317.16061	48.8
318.16418	4.3
444.28323	0.9
490.17154	1.1
525.26917	2.9
543.28131	86.3
544.28400	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03321	3.8
59.01256	12.6
63.70654	0.7
64.19858	0.8
69.03326	0.9
71.01256	3.2
71.04907	7.1
73.02837	0.8
83.04897	1.3
85.02827	0.9
86.91671	0.8
89.02329	1.5
95.04904	1.2
97.02838	7.2
97.06462	5.8
99.00758	41.4
101.02303	1.3
106.04128	1.3
109.06467	1.5
110.03610	1.1
113.02304	1.2
123.08029	2.5
125.09617	16.5
135.08035	1.8
135.46162	0.9
136.05205	1.8
142.02625	3.0
145.10158	1.1
153.12770	1.0
155.14307	2.0
161.09685	0.9
163.11224	14.5
179.10648	1.8
181.12276	38.0
182.12657	2.6
197.11795	2.3
199.11482	1.0
199.13335	19.5
200.13565	0.9
207.10220	60.7
208.10583	3.3
225.11295	100.0
226.11629	6.9
243.12375	96.6
243.14973	2.0
244.12668	5.8
299.15085	3.1
300.83578	1.0
317.16061	48.8
318.16418	4.3
444.28323	0.9
490.17154	1.1
525.26917	2.9
543.28131	86.3
544.28400	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16275	0.4
53.48477	0.4
55.01759	1.0
57.03320	2.4
58.00470	0.5
59.01251	22.8
61.98692	0.5
62.53298	0.4
67.01749	0.4
69.03326	1.4
69.27369	4.7
71.01254	13.3
71.04925	0.5
72.99171	0.9
73.02823	2.4
73.27701	0.4
78.62337	0.4
80.02548	0.9
81.03326	1.5
83.01264	2.9
83.04908	1.3
85.02834	3.8
87.00751	1.7
89.02314	10.0
91.03928	0.5
91.11069	0.4
93.03339	0.6
95.01256	1.5
95.04915	1.7
96.99914	0.4
97.02830	2.5
97.06474	5.5
99.00733	0.7
99.04408	0.5
101.02332	11.9
103.03881	0.4
106.17524	0.4
107.04911	0.5
109.02840	0.6
109.06456	1.1
109.65968	0.5
110.03611	0.9
111.04402	0.6
111.08008	0.4
113.02328	5.5
119.03387	2.7
119.08533	0.9
121.02866	0.6
121.06492	2.1
123.04396	2.6
123.08021	1.3
125.02361	0.6
125.05984	0.5
125.09622	4.8
127.07539	0.4
131.03427	0.5
133.04994	0.4
135.08078	1.1
137.05951	0.5
137.09615	3.0
139.11198	0.3
141.09036	0.4
141.12730	0.8
142.02568	0.5
143.03464	1.2
149.05962	0.9
151.11192	0.7
154.74184	0.4
160.08757	0.5
161.04465	5.7
161.09651	0.7
163.07591	0.8
163.11212	5.8
164.11406	0.4
165.09088	0.6
165.12727	1.3
171.10210	0.9
174.01598	0.5
175.11200	1.3
177.12782	0.9
179.05611	2.1
180.03020	0.4
181.12251	1.4
185.11751	7.2
191.10707	1.0
191.14346	8.3
192.14642	0.6
193.12289	1.1
197.11885	0.6
207.10211	3.4
209.11789	15.9
210.12155	1.1
211.13339	2.6
217.15929	1.1
225.11287	3.9
226.11984	0.5
227.12857	0.7
227.18007	0.6
235.08269	1.2
237.11298	14.5
238.11838	0.9
239.03392	0.4
245.19077	16.7
246.19429	1.4
253.09270	38.6
254.09410	2.1
261.18579	0.6
263.20169	6.2
271.16989	2.0
281.20963	1.0
289.18100	80.5
290.18408	8.5
307.19153	100.0
308.19531	10.0
309.20963	0.5
324.84756	0.5
325.20148	0.7
408.49634	0.4
447.17584	0.4
454.29907	0.5
501.30002	0.6
525.26874	0.6
543.27875	4.4
544.28333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	5.6
57.36631	2.0
59.00961	4.9
59.01249	82.8
59.77930	2.1
68.99692	2.2
71.01250	33.6
71.34962	3.9
72.99167	8.0
73.02791	6.4
75.00747	29.5
81.03271	2.4
83.01268	3.0
85.02817	37.3
87.00761	14.4
89.02303	11.1
95.01281	11.2
96.95876	3.5
99.00761	18.6
99.04385	4.2
101.02317	8.2
103.00237	2.5
111.00766	3.6
113.02323	48.3
115.00251	3.2
117.01824	5.0
117.03333	5.9
117.05456	37.6
129.01790	3.1
129.41646	1.9
133.01352	2.4
133.02844	3.4
134.03630	62.9
137.02287	1.9
141.29152	2.3
149.04440	2.3
149.05945	6.3
160.01595	11.4
160.03831	3.0
161.02347	2.5
175.02348	7.5
175.03900	17.1
193.03470	5.7
193.04985	44.2
193.13770	2.4
231.05096	2.5
244.47942	2.2
249.06123	23.3
255.02771	2.5
267.07156	24.9
284.03192	6.2
291.07043	2.9
309.08264	24.6
311.10251	2.7
349.11584	5.8
367.12436	100.0
368.12680	7.7
381.11679	5.3
425.10678	7.6
443.11929	14.3
485.12787	9.1
525.15814	8.0
543.17029	84.4
544.17303	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	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.9
57.91117	3.1
59.01252	100.0
61.98692	5.1
67.81499	3.7
71.01254	52.7
71.57832	6.1
72.99188	8.5
73.02822	16.4
74.02324	3.7
75.00761	16.5
75.02213	3.3
80.96406	12.5
83.01252	5.3
85.02835	27.2
87.00758	12.7
89.02303	24.5
95.01293	4.0
96.95889	6.2
99.00757	14.9
101.02318	29.3
111.00771	4.2
113.02336	35.5
119.03463	5.0
121.02872	9.1
124.56645	3.8
125.02360	4.6
128.03479	5.7
133.02792	8.3
134.03653	12.8
135.04411	10.9
137.02316	5.1
143.04520	6.5
148.05208	79.2
149.05743	8.3
160.01604	5.4
161.02434	7.0
161.04482	9.6
163.07552	94.1
164.07945	6.0
178.02628	9.7
179.03445	7.1
209.11882	6.5
225.00774	4.3
249.06233	18.6
253.07164	9.5
267.07266	7.2
300.02597	4.3
307.19345	4.4
427.08890	9.9
428.09543	27.1
429.09845	4.8
445.65399	3.4
457.16995	10.5
499.17889	20.4
525.16223	41.2
543.19562	5.9
543.27051	6.5
543.76459	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	541.3023
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
50.63521	0.3
57.03333	0.5
59.01255	100.0
59.62980	0.2
60.01596	1.2
61.98708	0.5
70.93993	0.7
71.01260	3.9
72.99199	0.5
73.02829	1.7
75.00771	0.4
83.01260	0.6
85.02843	1.5
87.00758	0.3
87.42443	0.3
89.02327	1.3
95.01286	0.9
99.00772	0.5
99.04400	1.7
101.02332	2.6
111.00797	0.8
113.02338	2.0
119.03399	0.6
125.02322	0.3
161.04533	0.7
223.93428	0.3
225.11362	0.4
244.18498	0.3
295.00543	0.2
305.17609	0.4
454.15332	0.3
481.27966	0.4
499.29361	0.7
510.26968	0.5
532.76154	0.6
541.30640	3.7
542.30359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
59.26251	0.2
71.01264	0.7
92.16869	0.2
98.20508	0.8
99.00795	0.3
101.02343	0.4
108.02030	0.4
113.02336	0.2
114.01862	0.3
116.04951	4.4
117.03393	0.3
123.04382	0.2
131.03552	0.3
132.02055	0.5
132.04485	0.3
134.03629	0.9
146.44604	0.2
159.03159	1.3
160.03952	100.0
161.02328	0.3
161.04308	4.0
174.01834	0.8
175.02582	0.4
175.03934	1.7
179.06845	0.2
193.05052	0.3
200.03369	0.3
200.86089	0.3
204.02951	4.5
212.03458	0.6
218.04559	1.4
245.29951	0.3
251.05795	0.4
262.05121	0.6
278.04633	0.3
279.05447	1.0
284.03256	0.3
292.06195	0.3
294.07755	5.0
295.08167	0.3
320.05847	0.3
321.06427	0.5
322.09061	0.3
323.07794	0.5
336.08771	3.2
337.09259	2.0
354.17432	0.3
366.08282	15.0
367.08600	1.3
405.42206	0.2
542.12988	7.2
542.19275	0.3
543.13507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58474	3.1
59.01251	32.2
70.34390	11.6
71.01258	27.2
73.02814	10.4
77.59049	3.4
78.98450	4.1
79.95601	9.3
80.96390	57.9
83.04866	2.9
83.94038	3.4
85.02827	9.8
87.00751	8.6
93.03361	4.8
93.23312	2.9
94.97974	10.6
96.63194	2.8
96.95864	3.5
101.02324	8.8
113.02331	6.4
117.03324	4.8
119.04903	33.5
123.04403	3.6
125.02364	5.6
127.03904	3.1
134.97472	5.1
145.02846	10.9
148.99033	4.6
149.05927	3.5
161.04701	2.9
161.05949	18.2
164.98518	8.3
169.06364	3.1
193.68112	3.2
205.05000	100.0
206.05270	7.7
215.07042	3.2
223.06201	3.3
225.00772	14.8
259.06085	17.2
263.07687	3.9
461.61560	3.8
543.17322	84.9
544.18054	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	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61830	5.5
50.70961	5.2
52.37585	5.6
59.01250	100.0
65.07229	6.3
70.55484	6.1
71.01254	39.5
71.58543	9.7
73.02836	24.8
73.10729	5.8
83.01276	10.7
83.36404	5.7
85.02821	11.7
89.02297	15.9
101.02320	25.7
113.02328	15.0
119.03430	6.3
124.61777	6.6
212.20084	6.5
275.20160	21.1
293.21075	8.8
497.27640	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50009	1.4
54.76828	1.3
54.84821	1.3
57.03333	2.1
59.01252	100.0
60.01583	1.6
61.98696	8.2
69.03316	2.3
70.78126	1.4
71.01256	29.1
71.24170	1.6
71.57865	2.1
72.99176	3.4
73.02821	11.3
74.02351	1.6
75.00758	1.8
78.95744	1.5
83.01237	3.3
83.69497	1.3
85.02824	10.1
87.00749	2.3
88.98672	2.5
89.02314	12.8
95.01263	2.6
96.95893	10.0
98.02343	1.4
99.00751	1.5
101.02326	16.8
113.02351	16.6
119.03393	4.6
125.02325	3.1
131.03439	1.8
141.01726	1.4
143.03432	1.5
161.04471	3.8
162.71365	1.5
179.05588	1.9
211.13487	1.6
272.55225	1.5
335.22223	1.7
336.22592	3.0
337.22849	4.3
410.89978	1.6
428.20660	1.7
541.27100	5.5
542.24884	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	541.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03310	3.6
58.00441	1.5
59.01251	78.4
61.98695	6.9
66.72562	1.5
69.03320	1.7
69.21536	1.6
69.51657	12.0
71.00891	2.7
71.01254	34.5
72.99178	28.1
73.02819	9.6
75.00742	5.2
77.59605	1.6
83.01246	5.5
85.02850	11.5
85.94299	1.5
87.00746	4.5
89.02319	20.5
93.03318	1.7
95.01257	2.0
96.95872	5.5
99.00751	5.3
101.02322	22.8
101.05982	12.3
113.02332	23.4
117.03338	2.5
119.03441	4.8
119.04912	100.0
120.05227	5.1
121.02835	2.7
125.02308	4.2
128.03416	1.5
128.06187	1.6
131.03355	2.5
135.02873	1.9
137.02330	4.4
143.03386	2.1
143.10674	13.9
145.02832	7.3
145.03914	1.9
161.04477	7.1
161.05966	39.4
163.03920	67.4
164.04366	2.3
165.05440	2.8
167.03375	2.2
179.05559	3.1
196.69319	1.7
211.13388	3.9
219.76273	2.2
227.03525	1.5
250.62529	1.5
253.09538	1.8
267.07211	5.2
277.07181	2.6
281.80042	1.6
284.03036	1.6
307.08069	2.6
325.09021	1.9
397.13571	6.3
404.63126	1.6
415.14511	2.6
439.12469	17.8
440.12656	3.0
455.15591	5.0
457.13846	3.5
497.16583	8.0
541.18915	21.1
542.18719	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	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76818	0.6
55.01754	1.2
57.03313	2.8
59.01256	17.1
61.98698	2.1
64.63272	0.7
69.03332	5.2
71.01254	6.1
71.04884	3.6
71.58405	1.1
71.58785	0.8
73.02815	3.8
75.00733	1.0
83.04880	1.4
85.02834	1.6
87.00742	1.0
89.02315	6.1
97.02831	4.4
97.06496	3.8
99.00759	18.6
101.02309	2.5
109.06493	1.0
110.03638	0.9
113.02327	1.8
115.03881	2.6
121.06564	0.8
123.08047	2.7
125.09604	10.7
136.05180	1.1
142.02649	1.2
149.09627	0.9
151.11203	3.8
153.12715	2.0
161.09637	5.2
163.11180	8.4
179.10706	11.7
181.12259	16.1
182.12572	1.1
197.11777	52.7
198.12103	2.6
199.13324	6.7
200.13651	1.2
207.10211	25.3
208.10638	1.6
223.09773	0.8
225.11282	37.5
226.11613	2.4
241.10773	9.4
243.12358	22.0
244.12675	1.6
251.57582	0.7
295.06177	0.9
297.13354	2.2
299.14911	1.7
315.14526	10.0
316.15024	1.0
317.16049	12.6
361.23541	0.8
374.91553	0.8
398.75278	0.8
497.26965	1.9
527.36456	0.8
541.26477	100.0
542.26825	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03318	3.7
58.00489	0.9
59.01252	87.3
60.01590	1.7
68.99689	2.4
69.03310	0.9
70.73377	1.3
70.73746	1.3
71.01256	24.0
71.04903	0.6
72.12001	0.6
72.99184	5.0
73.02814	2.3
75.00750	16.1
81.03345	1.0
83.01252	2.0
83.04899	0.9
85.02822	22.3
87.00748	7.8
87.53661	0.8
89.02314	5.5
91.03883	0.7
93.03333	0.9
95.01271	5.3
97.06464	1.7
99.00760	12.9
99.04404	1.7
101.02328	2.4
103.00249	2.4
109.02850	0.6
109.06447	0.9
111.00751	1.5
113.02331	23.9
114.02670	0.7
115.00281	2.6
117.01850	2.8
129.01846	2.3
131.03381	0.8
157.01329	1.1
161.04446	0.8
175.02388	2.8
175.07332	0.6
179.74438	0.6
189.12781	1.3
205.07043	0.9
207.13797	3.2
209.11772	5.1
225.14903	1.7
227.12860	10.9
231.05067	2.1
249.06142	22.2
250.06483	1.2
255.03151	0.9
267.07211	11.2
269.13956	1.6
287.15024	5.2
309.08249	6.4
336.02777	0.7
343.17682	1.2
361.18512	1.7
391.23474	1.5
457.12500	1.6
475.21735	0.9
477.19968	1.9
501.20398	1.4
519.20856	10.6
520.21307	1.1
537.21881	100.0
537.32202	3.6
538.22345	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	539.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
57.64756	0.7
59.01253	27.7
61.98694	2.9
70.98111	1.9
71.01249	7.4
72.99197	1.0
73.02821	1.9
74.96471	0.7
75.00754	3.1
80.96391	1.3
81.03334	1.0
83.01267	2.3
83.04892	1.0
83.32858	0.7
85.02854	3.6
87.00745	2.1
89.02348	4.3
96.95884	2.1
97.02827	1.1
99.00755	1.5
99.04431	0.9
101.02318	5.4
112.63400	0.7
113.02335	5.8
116.07047	0.9
119.03391	2.3
119.04814	0.9
121.64283	0.7
125.02332	0.8
134.03668	1.1
135.02892	3.7
135.04407	0.9
143.03471	0.9
145.02831	1.7
147.04404	0.9
161.04480	1.9
163.03893	0.9
167.14340	0.9
183.13820	5.5
211.13341	100.0
212.13663	6.1
227.03427	0.9
235.08345	0.8
253.09224	11.6
255.02989	1.1
284.03247	2.3
335.22415	1.0
370.58859	0.8
418.20258	0.8
419.17111	3.4
447.22287	6.5
448.22791	1.1
466.14371	0.9
539.18781	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	4.8
59.01250	75.5
59.90236	1.9
60.46907	1.8
63.79297	2.0
69.60842	4.8
69.61243	13.7
71.01252	50.3
72.99181	5.8
75.00748	3.3
83.01272	3.6
85.02821	11.7
87.00774	3.2
89.02316	58.2
95.01259	4.3
96.95861	2.7
96.96887	2.1
101.02313	31.2
108.02029	4.5
109.02853	16.1
113.02323	21.7
117.03355	3.7
119.03398	24.4
119.04921	2.6
125.02293	2.7
131.03404	2.7
134.03621	4.3
136.01550	27.9
137.02316	6.5
145.02867	12.7
146.03598	3.5
148.73636	2.4
151.03922	24.2
152.37317	2.4
159.04384	5.4
160.01569	7.1
160.05211	3.0
161.02345	7.3
161.04483	4.7
161.05862	2.5
163.03883	4.1
173.06004	3.0
175.03880	11.1
176.04745	4.0
179.05525	7.0
187.03960	9.8
188.04520	6.0
189.05435	4.2
190.06258	3.9
202.06284	7.2
227.03496	6.8
251.07149	5.7
255.02979	11.0
261.05499	3.8
262.06393	3.4
263.07181	4.8
267.06799	5.0
279.06641	14.6
283.02591	3.4
284.03336	12.6
291.06476	3.3
293.08133	4.4
294.05612	3.4
294.08990	9.3
295.10257	5.2
297.11334	6.7
299.02170	2.7
308.07010	3.5
309.07660	8.3
309.11194	4.0
312.09964	9.2
324.10001	15.3
325.10788	2.8
327.12375	42.2
328.12677	5.5
333.09634	2.9
339.12366	100.0
340.12598	12.7
345.13339	4.5
348.50497	2.8
357.13437	4.2
404.81720	2.4
442.62247	3.9
456.48288	2.3
457.12399	31.8
519.18640	3.2
537.20734	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	4.8
59.01250	75.5
59.90236	1.9
60.46907	1.8
63.79297	2.0
69.60842	4.8
69.61243	13.7
71.01252	50.3
72.99181	5.8
75.00748	3.3
83.01272	3.6
85.02821	11.7
87.00774	3.2
89.02316	58.2
95.01259	4.3
96.95861	2.7
96.96887	2.1
101.02313	31.2
108.02029	4.5
109.02853	16.1
113.02323	21.7
117.03355	3.7
119.03398	24.4
119.04921	2.6
125.02293	2.7
131.03404	2.7
134.03621	4.3
136.01550	27.9
137.02316	6.5
145.02867	12.7
146.03598	3.5
148.73636	2.4
151.03922	24.2
152.37317	2.4
159.04384	5.4
160.01569	7.1
160.05211	3.0
161.02345	7.3
161.04483	4.7
161.05862	2.5
163.03883	4.1
173.06004	3.0
175.03880	11.1
176.04745	4.0
179.05525	7.0
187.03960	9.8
188.04520	6.0
189.05435	4.2
190.06258	3.9
202.06284	7.2
227.03496	6.8
251.07149	5.7
255.02979	11.0
261.05499	3.8
262.06393	3.4
263.07181	4.8
267.06799	5.0
279.06641	14.6
283.02591	3.4
284.03336	12.6
291.06476	3.3
293.08133	4.4
294.05612	3.4
294.08990	9.3
295.10257	5.2
297.11334	6.7
299.02170	2.7
308.07010	3.5
309.07660	8.3
309.11194	4.0
312.09964	9.2
324.10001	15.3
325.10788	2.8
327.12375	42.2
328.12677	5.5
333.09634	2.9
339.12366	100.0
340.12598	12.7
345.13339	4.5
348.50497	2.8
357.13437	4.2
404.81720	2.4
442.62247	3.9
456.48288	2.3
457.12399	31.8
519.18640	3.2
537.20734	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.0
65.66108	0.9
69.40260	9.6
71.01263	3.6
72.99191	1.0
73.56062	0.9
78.98557	0.9
85.02834	2.0
89.02328	2.3
96.95889	2.4
98.20547	2.4
101.02330	1.7
108.02068	1.4
109.02840	23.3
113.02344	1.5
121.02856	3.6
123.00800	1.6
124.01655	1.1
125.02371	1.7
131.04514	3.4
134.13928	1.1
136.01549	15.4
145.02858	2.8
146.03690	2.8
147.04376	1.1
151.03911	15.8
158.03693	1.5
159.04430	3.0
160.05231	1.2
160.83803	1.0
161.05952	2.4
166.00806	0.9
172.05208	2.9
173.05952	1.2
175.03911	7.5
175.07573	1.0
176.04707	4.5
189.05490	5.6
189.49417	1.0
190.06221	5.3
191.07068	8.5
239.07108	4.4
242.74644	1.1
249.13448	1.2
250.06328	1.8
251.07166	3.0
261.05515	1.4
263.07370	1.0
266.05850	2.4
267.06619	42.8
268.06976	3.9
279.06598	9.8
281.08240	1.7
282.08975	38.0
283.09372	4.1
293.08060	1.7
294.08835	5.5
297.11295	100.0
298.11621	11.0
309.11179	1.5
312.10065	15.0
313.10529	1.8
315.12299	1.7
327.12366	66.0
328.12793	8.3
339.12213	2.1
345.13425	44.7
346.13739	4.4
357.13470	11.1
375.14490	41.0
376.14816	5.2
537.21631	2.2
538.16425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19724	2.6
53.03517	2.1
55.01743	3.0
57.03321	3.3
58.00492	2.6
58.21783	2.1
59.01251	100.0
60.78111	2.2
61.98696	7.1
71.01250	32.0
71.01559	2.9
71.57841	2.3
71.58279	4.2
72.70688	2.4
72.99192	6.0
73.02825	10.3
75.00743	26.7
83.01261	5.4
85.02817	20.6
87.00764	7.9
89.02316	11.1
95.01321	2.9
96.95900	3.2
97.06473	6.1
99.00767	3.8
101.02323	17.8
108.78653	3.1
111.00729	2.9
113.02341	17.3
115.40036	2.3
116.92760	3.2
119.03381	4.0
125.02320	3.0
134.03583	3.2
135.04399	8.3
161.04434	4.2
163.06047	2.5
167.10689	8.5
199.03922	3.5
227.16524	13.8
228.49774	2.7
257.17520	8.3
287.22354	14.5
289.18311	3.0
318.33609	2.8
331.25079	3.6
422.09610	2.7
431.26614	8.5
449.12012	2.7
449.27658	13.7
475.33151	3.6
491.29218	29.7
492.29034	7.5
493.30890	2.8
535.31476	70.5
536.32312	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01254	100.0
60.01577	1.3
61.98704	3.9
62.19342	1.0
65.00182	1.1
69.03312	1.3
69.84917	1.1
71.01259	28.0
71.57912	1.6
72.01604	1.2
72.99185	4.1
73.02820	16.9
75.00739	4.2
78.95779	2.7
83.01261	7.3
84.90357	1.2
84.94981	2.8
85.02826	9.4
87.00754	3.4
87.04378	1.5
89.02312	17.8
95.01305	2.7
96.95884	2.8
99.00775	4.5
99.04433	1.2
101.02323	29.0
101.05944	1.8
102.80892	1.1
111.00764	2.4
113.02332	17.2
119.03432	7.9
123.00706	1.6
125.02358	3.7
129.01772	1.3
131.03395	3.2
135.02881	2.1
135.04419	1.2
137.02328	1.4
143.03416	4.9
149.02341	2.7
149.04465	5.3
151.03844	1.8
152.99490	1.2
161.04482	9.8
177.01871	1.6
179.05595	7.5
191.72491	1.2
201.90958	1.2
221.06660	1.6
233.06691	1.3
267.07193	2.9
269.13800	1.4
327.18024	1.6
331.24963	1.6
373.12747	2.4
387.16537	1.2
415.23367	13.8
417.21332	2.4
425.08783	1.3
427.28189	1.2
433.24255	3.7
505.18585	2.1
535.24146	4.5
535.31738	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	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76060	2.3
56.20536	2.2
57.03330	4.0
59.01256	100.0
61.98710	6.5
69.03313	2.8
69.67357	3.0
71.01259	33.7
71.58951	5.3
72.99179	5.8
73.02840	9.2
75.00755	24.0
83.01278	6.8
85.02829	15.3
87.00770	8.1
89.02334	10.5
95.01263	3.4
97.06503	2.9
99.00798	5.8
101.02316	16.5
111.00733	3.1
113.02358	13.6
121.02814	2.3
123.08078	2.2
123.98364	2.5
129.01846	2.5
134.03633	2.3
134.75777	2.2
135.04425	5.5
143.04558	2.9
148.09262	2.7
161.04601	3.0
166.92894	2.1
167.10669	4.0
199.03981	3.6
227.16498	12.8
246.50000	2.2
257.17630	7.8
287.22406	12.1
315.04764	3.1
331.24634	3.1
431.26581	5.6
449.27753	10.9
450.11517	2.7
457.85577	2.4
491.28922	21.6
493.30112	4.4
535.15234	2.5
535.25275	5.1
535.31525	58.0
536.31720	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	66.8
61.15718	2.8
71.01254	22.3
71.58295	3.6
72.99191	3.1
73.02818	8.2
75.00753	3.4
77.44614	2.0
83.01247	2.7
84.36546	2.5
85.02820	7.2
87.00761	2.7
89.02329	5.7
92.09830	2.4
98.20473	2.2
101.02329	9.2
109.06477	2.8
113.02322	9.4
125.02360	2.2
129.01830	4.8
133.87077	2.5
223.18005	2.6
287.22311	26.2
288.22531	2.2
302.87177	2.5
336.00992	2.3
431.26392	15.1
431.81009	3.0
449.27539	37.6
450.27930	4.3
464.44550	2.1
491.28616	100.0
492.28973	13.6
535.31573	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19927	2.1
56.19057	1.6
57.03309	2.3
58.00490	3.2
58.26710	1.8
59.00951	3.3
59.01252	67.1
61.98708	2.1
67.01480	1.7
69.03334	1.8
71.01257	22.5
71.58170	4.0
73.02833	6.4
75.00750	3.9
75.57153	1.8
81.03288	1.6
83.01284	5.8
85.02827	10.2
87.00771	5.3
89.02317	3.6
96.99197	4.3
99.00780	5.7
101.02332	10.9
110.74872	2.1
111.00865	2.0
113.02328	8.7
115.11256	1.8
125.02324	1.9
129.01770	9.6
154.50041	2.0
186.31346	1.8
262.62180	2.1
287.22311	28.2
289.17838	2.4
431.26358	15.2
432.26761	3.2
449.27542	37.7
450.27798	7.2
491.28619	100.0
492.29025	11.6
535.31049	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	535.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.2
59.01252	98.3
69.87834	2.4
69.88258	3.5
71.01250	12.0
73.02818	4.4
75.00752	2.7
83.01280	2.8
85.02828	4.5
87.00797	1.8
89.02329	6.1
93.85841	0.9
98.20567	1.0
99.00780	1.1
99.04386	2.7
101.02338	9.0
109.02853	1.3
113.02341	4.9
119.03429	2.5
121.02866	1.3
123.00766	1.8
123.04368	1.8
125.02339	3.4
131.33667	0.9
134.03656	2.1
136.01570	26.7
137.02370	6.5
138.03116	2.3
150.03044	1.7
151.03917	30.9
152.01082	3.8
153.01785	1.4
160.05183	1.6
165.05502	0.9
165.12808	1.5
167.03442	4.4
167.10683	1.1
170.02177	1.0
174.03079	1.2
175.03931	1.1
175.07571	1.6
177.05583	1.4
178.02618	1.2
179.03453	2.2
187.03969	2.4
188.04741	1.6
192.04166	1.2
193.04987	1.8
203.07135	1.6
207.13855	3.9
209.11748	5.1
225.14937	7.2
227.12856	30.6
227.15161	1.8
228.13239	1.8
251.12927	2.0
269.13907	8.3
269.67712	1.0
287.15005	100.0
288.15457	7.1
311.14859	1.2
325.10791	3.3
329.16284	1.3
355.11780	4.4
358.10593	13.5
359.11139	1.2
373.12918	53.0
374.13205	7.1
432.51395	0.9
463.25128	1.2
491.21338	1.2
535.17981	7.9
535.31134	1.3
536.18280	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	535.1822
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
57.03320	1.7
58.00463	4.4
59.01254	92.3
67.21308	1.7
69.34338	8.7
69.34766	7.8
71.01258	42.8
72.99169	6.0
73.02817	3.5
75.00747	3.1
83.01251	4.2
83.53043	1.7
85.02832	9.4
87.00742	3.5
89.02325	40.9
95.01278	4.1
98.19753	3.4
99.00718	2.1
101.02340	21.8
103.54144	1.7
108.02042	6.2
109.02845	3.2
111.00742	5.1
113.02336	11.9
116.77990	1.9
119.03378	16.7
120.20139	1.7
121.02814	2.3
122.77801	1.7
123.00771	15.5
123.04430	4.7
125.02310	3.4
132.02045	2.8
136.01564	42.2
137.02377	2.8
138.03096	2.3
143.04916	4.0
145.06575	2.3
146.03600	2.8
147.04385	4.0
151.03931	58.6
152.01031	3.2
152.04295	2.9
152.86676	1.9
153.01816	2.0
158.03658	3.0
159.04436	9.5
160.03877	2.4
160.05212	42.6
163.62953	1.9
167.03374	2.3
168.65567	1.7
172.05196	5.0
173.05977	6.2
174.03174	5.2
175.07584	28.5
176.07932	1.7
178.07376	1.9
179.05434	3.2
182.00676	1.8
185.63329	1.8
186.03177	5.0
187.03941	20.2
188.04712	21.3
189.05475	5.0
201.05495	5.6
202.06282	5.6
203.07097	29.0
206.05806	2.0
227.12796	5.9
267.06674	3.9
279.06494	3.5
282.08939	2.1
287.15045	17.8
294.08731	3.7
295.06140	6.2
310.08487	13.4
311.10165	6.8
322.08875	2.3
325.10794	68.1
326.11102	7.3
337.10718	6.3
343.08133	2.0
355.12039	25.6
358.10480	8.0
373.12918	33.7
374.13187	3.5
522.94702	1.9
535.18207	100.0
536.18475	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	535.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
55.24523	0.7
56.10516	0.8
56.32626	0.7
57.03323	4.3
59.01252	48.9
60.01573	0.9
67.01702	0.8
67.13885	0.7
68.99691	1.3
69.03334	1.2
69.61766	2.7
69.62197	3.1
71.01257	21.9
71.04884	2.0
72.99184	5.4
73.02823	3.5
75.00751	13.7
83.01275	1.8
83.04900	0.9
85.02820	18.9
87.00758	7.9
89.02314	8.6
93.03346	1.2
95.01263	4.6
95.04911	1.6
96.95891	2.2
97.06464	0.8
99.00758	8.8
101.02331	3.1
103.00258	2.5
109.02834	1.5
110.26680	0.7
111.00729	0.9
111.04411	1.3
111.08044	4.5
113.02332	24.0
115.00281	2.2
117.01801	1.9
117.67432	0.8
119.03367	1.2
122.06038	1.1
129.01845	1.9
129.61880	0.8
131.03401	1.0
137.02330	1.2
137.05968	2.0
139.00275	1.0
139.03912	0.8
143.04578	0.7
143.48044	0.7
149.05986	1.2
151.03888	1.2
151.11208	0.7
152.01070	1.4
160.03954	3.2
161.04575	0.9
163.04005	1.1
163.11241	1.5
167.03416	1.2
173.02330	0.9
175.02422	2.7
179.14322	3.1
181.12289	2.7
188.03419	1.9
189.03891	1.0
205.12306	1.1
207.04996	0.9
207.10306	4.4
218.04579	1.7
223.13420	1.6
225.81023	0.8
236.26500	0.8
241.14369	1.7
249.06131	14.6
254.74614	0.8
267.07202	29.5
267.11932	5.1
268.07703	1.1
269.09335	1.0
281.05643	1.4
285.13510	3.3
293.09274	0.9
298.08344	1.4
309.08624	1.6
311.10425	16.3
312.10623	1.3
313.10703	2.3
329.11017	1.4
337.08414	3.5
343.11783	1.8
355.09290	9.2
356.09900	1.1
359.17081	2.8
368.27866	0.7
373.13016	4.5
374.13281	0.9
387.11981	7.9
403.11377	0.9
473.20126	1.3
475.18402	5.0
503.13031	4.4
517.19128	5.2
518.19519	1.6
535.20300	100.0
536.20544	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	535.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47174	1.3
50.48636	1.2
55.01766	1.9
57.03317	3.5
59.01253	69.5
61.98706	2.3
69.70654	1.5
71.01252	22.9
71.57729	1.5
72.99189	2.3
73.02819	7.2
74.02323	1.4
75.00755	10.7
77.69684	1.3
82.02876	2.2
83.01281	5.2
85.02821	9.1
87.00753	4.5
89.02313	13.2
95.01285	2.1
96.95841	2.1
97.02872	2.2
99.00787	3.5
99.04379	1.7
101.02306	13.1
108.04436	4.6
109.02822	1.9
111.00755	1.9
113.02320	10.9
119.03410	5.8
120.01129	2.8
121.02781	1.8
122.06028	3.4
124.01574	1.4
125.02340	4.1
129.01860	2.1
131.03432	2.2
132.04453	5.8
134.03610	2.2
134.06024	5.9
135.02890	3.3
136.01530	3.1
143.03439	1.8
146.94849	1.4
147.04468	1.8
149.02324	1.8
149.04478	1.7
151.00215	2.9
151.03870	4.8
160.03964	16.8
161.04662	8.2
161.05836	2.0
162.05525	23.1
165.03976	5.4
165.05318	1.7
176.07027	2.8
177.01729	1.9
179.05530	1.6
179.10704	1.5
188.03360	8.6
193.03705	15.1
193.05225	1.8
204.02852	1.6
209.11899	2.0
210.07849	1.5
212.07161	1.5
214.08644	1.7
218.04564	4.9
225.14908	3.6
226.08676	3.7
227.12939	7.0
238.08559	1.6
239.08156	2.0
239.11790	2.2
240.10330	3.2
241.06075	1.4
241.09605	1.5
243.11288	2.2
249.06062	3.2
253.06215	2.2
254.06870	3.9
255.02980	2.9
255.07732	2.2
257.09262	10.0
265.09906	1.7
267.07236	10.6
267.11386	8.3
268.09827	2.1
269.09366	15.3
269.13913	2.9
271.02386	1.7
281.05682	6.2
281.08926	3.3
283.10794	6.6
284.03476	1.4
285.12482	16.7
287.02112	1.9
287.14978	23.3
293.09174	2.8
295.07150	3.2
296.07928	3.6
309.08734	6.2
310.09146	1.4
311.10370	100.0
312.10733	10.8
313.10825	2.2
315.01428	1.9
315.72989	1.4
316.02219	4.2
325.10785	1.6
327.09897	1.6
329.11401	45.8
329.15402	3.2
330.11649	4.0
331.04504	4.5
337.08240	16.6
341.10593	1.8
345.10733	1.7
355.09299	50.3
356.09662	5.6
373.12817	2.9
387.11957	24.4
388.12372	2.7
403.11478	4.4
414.13785	2.5
459.14249	11.4
484.45026	1.7
489.15262	1.9
503.13104	33.9
504.13235	5.0
505.18478	2.9
535.17377	5.0
535.24902	2.5
535.31097	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	535.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.1
58.55517	1.7
59.01252	54.2
65.00204	14.2
69.18462	1.8
71.01254	16.1
72.99187	3.3
73.02815	5.1
75.00746	7.0
81.58562	1.7
83.01255	5.9
85.02834	12.5
87.00753	26.0
89.02319	10.6
93.03333	2.4
95.01257	2.4
99.00771	6.2
101.02320	8.9
107.01271	15.4
109.02838	6.7
113.02338	13.8
117.00845	1.8
123.04398	1.9
125.02343	7.0
128.03464	1.9
129.01793	2.0
131.01273	2.4
134.03609	2.8
135.04419	77.7
136.01567	4.1
151.00281	96.4
151.03926	6.9
152.00833	2.6
161.04477	3.6
175.00262	7.0
177.01823	3.0
193.01395	3.5
193.04977	5.1
230.01648	1.8
230.05481	2.5
249.06125	6.5
267.07266	14.2
268.07547	5.0
269.07574	2.9
285.04037	1.9
287.05630	100.0
288.06049	9.3
305.62061	2.0
358.10684	3.1
364.46613	2.1
373.13037	12.2
415.23083	2.4
434.82605	2.4
491.11398	6.0
534.19171	6.3
535.19177	22.1
535.31305	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	535.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58965	0.3
59.01255	9.2
60.01605	0.5
62.50253	0.4
63.02274	3.5
65.00192	6.4
68.99685	0.4
71.01257	3.3
71.58328	0.3
72.99184	0.6
73.02812	1.2
75.00738	1.0
80.02551	1.3
83.01267	5.1
83.71165	0.3
85.02809	2.3
87.98392	0.4
89.02320	1.4
93.03346	0.9
95.01252	0.5
99.00766	0.9
101.02320	1.5
107.01274	12.8
108.01498	0.4
108.02071	5.0
108.49829	0.4
109.02892	0.6
113.02349	2.4
119.03371	0.6
121.02847	4.4
122.03661	0.7
123.00772	1.4
124.01562	0.9
125.02332	1.9
128.90028	0.4
132.01993	0.4
133.02856	0.8
135.04465	2.7
136.01559	5.4
137.02301	0.9
138.03117	2.4
149.02361	14.1
149.05923	0.5
150.03136	3.7
151.00284	36.0
151.03835	1.1
152.00813	1.4
153.01886	0.5
153.05460	1.6
161.04498	0.6
163.03937	0.9
164.01076	7.0
164.04706	15.5
165.01848	2.6
165.05356	1.2
166.02657	0.5
167.03365	0.9
169.01349	3.5
175.00317	0.9
175.03896	1.0
177.01845	4.4
177.05370	0.4
179.05487	0.7
179.07063	10.3
180.07372	0.7
187.03976	0.6
189.01872	0.6
189.05460	1.1
190.02631	0.4
190.06253	1.0
191.03455	0.6
193.01440	0.6
196.00098	6.9
204.04137	0.5
205.04974	0.4
214.02615	1.0
215.03429	1.2
227.03175	0.5
228.81065	0.4
231.02826	0.6
239.03632	0.5
249.06035	0.5
255.02795	0.7
257.04575	1.0
283.02460	0.5
283.10986	0.6
284.11212	0.4
300.02670	0.5
301.03360	0.6
315.05261	1.7
315.08832	0.8
316.05801	3.3
325.10773	0.5
329.10321	0.9
331.08228	100.0
332.08591	9.5
355.08145	0.6
371.09918	1.8
373.08981	2.4
417.21213	0.4
505.18558	1.6
534.29980	0.4
535.13062	6.6
535.20270	4.8
535.31171	2.5
536.13904	0.7
536.20728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54716	1.8
57.03317	2.8
59.01255	29.0
62.78967	1.9
63.02268	2.8
65.00202	11.4
65.97738	1.8
70.91937	2.3
70.92287	4.1
71.01256	10.8
73.02826	4.9
75.00745	4.1
83.01264	7.8
85.02821	6.3
89.02320	3.8
93.03339	2.7
95.01234	2.2
98.45490	2.2
99.00719	1.9
101.02330	4.8
103.25145	1.9
107.01275	20.2
111.00767	3.0
113.02340	4.5
119.04906	1.8
121.02843	6.4
125.02326	5.6
135.04424	72.9
136.04784	2.6
137.02264	3.3
145.02769	2.8
149.02396	12.3
150.03102	4.7
151.00281	100.0
151.03830	3.8
161.02353	2.9
163.03859	2.5
164.04681	5.3
165.01823	5.7
166.11807	2.1
169.01422	3.1
175.00200	3.0
175.04022	2.3
177.01846	2.7
179.07050	2.7
183.13806	2.4
189.05363	2.3
265.87656	2.0
283.18341	2.0
287.05637	68.1
288.05960	6.8
311.10226	2.3
331.08157	19.6
373.17157	2.2
439.79807	2.2
463.21634	2.8
491.12094	17.9
491.18988	3.3
505.18469	4.4
535.19818	12.8
535.31500	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	533.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21286	0.3
54.43201	0.2
57.03325	0.6
57.03942	0.2
58.00471	0.3
59.01252	100.0
60.01586	0.9
69.03336	0.3
70.15002	0.6
70.15415	0.5
71.01254	6.1
72.01591	0.2
73.02824	2.3
77.12402	0.3
78.95758	0.3
83.01266	0.6
85.02824	2.1
87.00766	0.3
89.02319	3.0
95.01277	0.4
97.27109	0.2
99.00755	0.4
99.72640	0.2
99.92460	0.4
101.02333	3.6
111.08073	0.3
112.68190	0.2
113.02332	4.2
115.91988	0.4
116.92756	0.6
119.03419	1.1
143.03426	0.5
160.90430	0.2
161.04460	2.0
165.12766	2.6
179.05481	0.7
181.12270	0.3
183.13846	3.2
185.01952	0.2
197.19023	0.3
199.13318	0.4
201.15640	0.2
212.48898	0.2
223.13155	1.5
225.94504	0.3
227.12923	0.2
233.07968	0.3
237.10999	0.2
245.88826	0.2
248.83279	0.2
249.11040	5.8
250.11443	0.3
251.09299	0.2
265.10550	0.3
267.12131	1.6
329.30438	1.5
330.30960	0.3
347.25720	0.9
365.26993	3.5
366.26987	0.4
473.35120	0.4
489.28500	1.5
490.28458	0.3
491.35739	1.0
533.19153	0.4
533.27185	7.8
534.27637	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	7.6
59.01253	7.5
64.56062	0.8
66.03363	1.4
70.28096	0.6
71.01265	3.6
71.44379	1.3
72.00765	1.3
74.02348	13.7
75.00751	1.0
82.02869	1.9
83.04866	0.7
85.02830	2.5
86.02347	5.4
86.05999	1.2
86.98986	1.2
87.00736	1.1
87.05516	2.9
89.02326	2.4
90.00085	1.1
97.03977	1.8
99.00797	0.7
99.05524	12.6
101.02309	2.1
101.07076	2.1
102.05482	2.3
109.02839	0.7
109.03948	2.5
109.07537	0.8
111.05528	1.1
112.03929	1.2
112.05822	0.7
113.02315	2.2
116.01703	0.9
120.01170	0.9
123.05517	1.0
125.03474	1.9
127.05032	2.0
128.03432	35.7
129.03761	0.8
132.04446	1.6
134.06024	0.9
135.05513	2.6
137.05960	0.6
137.07104	1.2
140.81873	0.6
141.06595	2.7
143.04533	45.9
144.04874	1.6
145.06068	1.3
146.04497	4.8
149.07118	0.8
153.06615	3.0
155.08112	0.9
160.00655	15.9
160.03851	0.7
166.09811	1.7
167.04547	3.0
167.08211	1.4
171.03963	1.0
177.03331	5.5
179.04535	9.7
181.06111	1.0
185.05571	1.2
192.07671	0.9
197.05652	0.8
198.08934	0.6
209.11827	0.8
210.08795	8.8
216.14383	0.7
231.04373	1.0
254.07841	13.6
255.08127	1.1
267.07132	1.3
272.08890	19.8
273.09116	1.3
279.11203	1.1
288.06662	8.9
298.08383	0.9
306.07663	100.0
307.07947	6.3
313.10831	1.6
373.12787	5.1
503.16833	5.7
534.21027	3.5
535.20233	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	533.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
59.01251	100.0
60.01596	0.9
62.71198	0.4
69.25859	5.0
71.01251	7.7
73.02826	1.3
78.95786	1.9
83.01272	1.0
85.02843	3.0
87.00746	0.7
89.02322	2.7
95.01275	0.8
98.19757	0.9
98.71922	0.6
101.02320	4.6
110.98438	1.5
113.02325	5.3
119.03407	0.7
125.02380	0.5
143.03432	0.7
159.02956	0.5
161.04454	2.2
167.01053	0.5
185.02147	1.0
197.19061	0.7
199.13330	3.0
279.19644	1.6
283.26654	0.5
287.53406	0.5
296.91782	0.5
329.30524	4.3
330.30884	0.5
347.25806	2.8
365.26962	24.5
366.27341	3.3
404.94049	0.5
473.34875	5.2
474.35608	0.6
491.35959	3.7
492.36780	1.2
524.57678	0.5
533.28760	3.1
534.29022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10291	0.1
55.01755	0.3
57.03330	0.4
58.00464	0.2
59.01251	100.0
60.01586	0.9
61.98679	0.1
62.88660	0.1
69.03330	0.2
71.01257	6.3
71.57892	0.2
72.99193	0.4
73.02824	1.6
83.01257	0.9
85.02826	2.9
87.00765	0.2
89.02324	2.3
95.01276	0.7
97.02857	0.2
99.00764	0.7
101.02319	3.0
113.02327	5.4
114.02644	0.2
119.03384	0.6
125.02350	0.3
134.67570	0.1
134.93549	0.1
143.03421	0.6
159.02972	0.3
161.04478	2.4
179.05518	0.2
179.32248	0.1
205.03554	0.2
267.23331	0.2
274.36859	0.2
283.26566	0.2
322.18845	0.1
329.30661	1.9
330.30811	0.2
473.34833	2.5
473.41016	0.2
474.35211	0.3
491.35883	2.2
492.36432	0.3
530.10431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2733
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
59.01255	40.3
59.81406	0.7
69.98356	1.7
69.98763	4.0
71.01254	3.8
73.02793	2.0
73.10657	0.7
73.58010	0.7
78.95778	1.4
83.01276	0.9
83.04904	2.2
85.02837	1.0
88.23427	0.8
89.02343	1.3
94.04245	0.9
97.06482	2.3
99.81649	0.7
101.02334	1.1
106.17649	0.7
107.01974	0.8
111.08026	4.7
111.59821	0.8
113.02331	2.1
121.86063	0.8
127.07524	1.1
145.02863	1.0
163.11176	2.3
165.12770	36.1
166.13118	1.4
181.12271	6.6
183.13834	45.4
184.14183	2.5
199.13414	1.2
201.08894	1.0
203.10388	4.1
205.12088	2.3
209.11778	3.5
217.08516	1.2
219.06508	0.9
219.10046	2.0
221.11551	2.6
223.13092	21.4
224.13301	1.6
227.12820	3.6
231.09996	5.1
233.07971	2.0
235.09454	3.2
237.11072	5.2
239.16420	1.2
241.39900	0.8
249.11069	59.4
249.14713	6.5
250.11450	3.8
265.10553	3.6
267.12189	26.6
268.12527	1.8
279.15753	2.0
283.15591	4.3
301.16510	1.7
323.14642	2.4
347.25974	2.0
365.26923	6.1
365.52557	0.8
374.99057	1.0
385.13748	1.0
432.39435	0.9
459.22052	1.2
489.28342	23.0
490.28772	4.8
533.27289	100.0
534.27551	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	533.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23744	0.5
57.02387	0.5
57.89000	0.5
59.01255	3.4
63.08492	0.6
69.14713	0.6
70.86018	1.2
70.86352	1.0
78.95774	8.1
85.06448	1.1
96.12058	0.6
96.98994	0.6
110.35119	0.5
110.98408	5.7
119.00470	0.6
145.02846	1.1
151.15981	0.5
152.99454	0.8
165.12750	1.8
167.01056	2.0
174.12944	0.6
181.12276	1.1
185.02132	4.5
199.11490	0.9
199.13332	18.9
200.13666	1.3
217.00307	0.6
260.81900	0.6
271.82205	0.7
279.19583	6.8
280.19946	1.0
346.19907	0.7
347.25870	7.9
348.26135	0.9
365.26947	100.0
366.27261	13.8
391.18097	0.9
499.36935	0.6
527.01282	0.7
533.28778	12.2
534.29254	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.9
59.01255	100.0
59.14816	2.5
61.98696	4.5
62.83923	2.6
68.99677	4.4
69.25847	33.6
71.01267	32.0
72.99191	4.2
73.02823	13.7
75.00740	8.1
83.01255	5.6
85.02836	18.2
87.00774	4.0
87.85023	2.7
89.02305	9.0
95.01228	5.4
99.00751	10.3
99.04420	3.0
101.02359	14.7
111.00704	2.8
113.02329	19.9
122.69936	3.1
124.21110	3.3
143.03452	3.6
149.05988	8.7
161.04391	5.2
221.19008	3.4
249.06197	4.4
265.18085	3.7
285.03751	3.6
287.16479	2.8
313.03525	3.6
314.04099	4.0
329.06561	4.0
447.22003	6.6
473.31427	5.5
489.23422	10.7
533.25842	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72560	2.5
57.03339	3.7
59.01251	100.0
60.34754	2.3
61.98697	4.1
71.01255	24.4
72.77870	2.6
72.99170	4.1
73.02803	10.1
75.00755	3.1
81.03336	2.7
81.45638	2.6
83.01247	6.0
85.02825	13.6
87.00764	5.1
89.02324	13.0
98.20543	12.0
99.00758	16.6
101.02340	16.2
104.67192	2.8
113.02325	15.7
121.02841	10.2
125.02348	3.1
134.05981	7.1
149.04445	5.1
161.04405	3.9
162.12051	3.1
191.05559	4.9
192.55594	2.2
197.18605	3.2
245.94661	2.5
263.09781	2.5
270.79794	2.7
301.50592	3.0
394.53287	3.2
477.04700	3.1
489.23474	6.1
491.27765	3.0
533.30042	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	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.9
57.03315	8.5
58.00448	1.3
59.01251	66.4
60.01603	1.1
68.99676	3.7
69.03314	2.5
71.01255	36.4
71.04903	1.9
72.99172	9.0
73.02824	6.0
75.00751	21.6
79.05397	4.9
81.03299	1.6
81.99328	1.0
83.01267	2.3
83.04882	4.1
85.02824	31.4
86.33027	1.2
87.00752	14.2
89.02325	11.0
92.96384	1.1
93.03309	1.7
95.01286	6.6
95.04897	3.4
96.95879	6.5
97.02789	2.8
97.06474	7.7
99.00764	13.7
99.04379	2.4
101.02320	4.5
103.00236	3.1
107.04886	1.3
109.06424	3.7
111.00730	2.4
111.04345	1.4
112.14828	1.1
113.02337	39.8
115.00235	3.8
115.03936	1.2
117.01829	2.8
119.03358	1.5
119.04914	1.2
123.04384	5.1
125.02293	2.2
125.05984	2.1
125.40154	1.2
128.03442	1.3
129.01799	3.8
131.03397	1.3
134.03633	1.6
137.02225	1.3
141.05446	2.6
145.02838	2.5
146.54672	1.0
149.99004	1.1
157.01353	1.5
159.06508	2.1
160.01605	1.7
161.04402	1.3
161.09637	1.9
165.05524	1.2
175.02365	3.5
175.03897	2.6
177.09203	1.3
177.12724	2.9
179.10822	1.3
191.01833	2.0
193.03461	1.7
193.05040	2.5
203.10684	1.4
205.08719	1.7
207.04974	1.1
211.13353	1.6
221.11812	3.0
223.09677	2.5
223.13405	1.5
227.03278	1.6
231.05130	2.6
239.12872	2.1
249.06134	30.1
255.02832	3.0
265.10788	1.8
267.07199	59.6
268.07410	2.4
283.11996	11.4
284.03259	2.4
285.03922	4.7
309.08057	1.3
313.03467	5.0
314.03967	3.2
328.05972	1.6
329.06641	1.6
357.15543	3.3
369.10104	1.5
373.11636	1.5
384.76804	1.3
392.07947	1.4
471.18878	1.8
473.16541	4.0
473.27057	1.4
489.19870	2.0
515.17834	5.2
533.18744	100.0
534.19214	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.4
59.01253	100.0
60.01580	2.6
61.98713	1.6
71.01261	12.5
71.58124	1.9
72.99189	2.6
73.02804	6.6
75.00748	2.5
76.95706	1.2
80.39472	1.2
83.01288	3.0
85.02843	4.5
87.00759	4.1
87.77682	1.1
89.02341	6.7
99.00762	8.4
101.02330	5.0
102.86659	1.2
109.28630	1.4
113.02328	5.9
129.01808	1.9
131.03368	1.5
136.40117	1.4
149.04533	2.8
160.16716	1.3
161.04411	1.8
171.10124	2.0
191.05527	2.3
237.14986	5.9
253.09212	1.4
254.05765	8.8
269.08218	10.8
363.04776	1.3
449.51660	1.3
489.23572	2.9
533.29645	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	533.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80007	2.5
55.01753	3.8
57.03326	6.2
59.01253	91.3
60.01585	2.9
67.01753	2.4
68.67294	2.7
68.99696	3.3
71.01255	57.1
71.04864	2.8
72.99197	7.8
73.02821	4.3
75.00740	23.3
83.01248	5.4
85.02821	38.2
87.00750	18.9
89.02312	23.7
93.03342	4.7
95.01289	6.2
96.95929	5.3
99.00722	14.3
101.02347	10.3
103.00279	8.6
103.85143	2.9
113.02336	57.5
115.00226	5.5
117.01842	3.2
119.03365	3.4
119.04932	6.2
123.04464	5.2
125.02320	2.9
128.03442	7.3
129.01862	5.1
131.03481	3.3
132.27603	3.0
143.04579	11.4
145.02861	7.2
149.09586	3.3
161.04520	5.2
163.03912	4.0
175.02480	6.4
175.03870	4.5
209.02983	2.9
211.07428	3.2
221.11824	4.7
227.03510	9.4
230.29541	5.8
235.13356	4.0
243.02867	7.1
249.06148	28.3
251.80630	3.2
255.03055	5.0
265.08826	2.8
267.07224	87.7
270.01602	4.9
271.02414	16.8
272.03033	7.7
272.08859	4.3
284.03336	4.8
285.03906	6.7
299.02054	18.4
300.02719	12.4
300.13089	3.3
306.07822	18.1
313.03674	11.0
314.04300	43.5
315.04984	4.9
329.06616	50.4
330.07202	8.0
377.59937	3.7
471.18518	3.7
473.10818	6.9
489.20062	7.8
515.17963	5.5
521.66382	3.2
533.12793	15.6
533.19135	100.0
534.19464	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	533.1668
Annotation	5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
Peak:m/z	Relative Intensity
52.03781	0.3
57.03326	0.4
59.01252	100.0
60.01588	0.8
64.90301	0.4
69.03316	0.4
71.01255	3.5
71.58426	0.5
71.58836	0.5
72.99191	0.6
73.02833	1.6
75.00764	1.2
83.01273	0.8
85.02837	1.7
87.00763	1.0
89.02336	1.7
96.99227	0.4
99.00795	1.3
101.02332	1.9
106.06503	0.9
113.02321	2.2
116.92776	0.8
121.02879	0.9
125.02436	0.4
129.01868	0.5
150.05518	0.8
153.05571	0.5
161.04535	1.0
175.02542	0.5
175.04012	0.8
197.06004	0.6
210.06821	1.2
237.15103	0.9
239.03473	0.5
249.06310	0.7
253.05145	0.7
254.05833	11.0
255.06181	1.1
269.08170	17.3
270.08575	1.7
473.31488	0.5
489.23328	0.6
533.29193	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	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.0
58.00471	2.2
59.01252	58.4
63.88323	1.6
67.07040	1.9
68.99654	2.3
69.03321	3.3
71.01260	32.1
71.58002	2.4
71.58397	2.2
72.99184	7.2
73.02820	5.1
75.00753	17.1
79.05404	5.1
81.03334	4.7
83.01269	5.9
83.04876	1.8
84.95000	5.5
85.02827	26.8
87.00757	8.7
89.02304	9.3
93.03324	3.7
95.01260	7.1
95.04897	6.8
96.66072	1.5
96.95861	2.6
97.02841	4.1
97.06467	8.4
99.00757	12.4
99.04412	4.2
101.02322	7.9
101.99457	2.0
103.00233	2.1
107.01230	2.5
107.02283	1.7
107.04917	2.6
109.02801	5.0
109.06417	3.4
111.00761	3.3
113.02335	25.8
115.00249	3.8
116.95779	1.7
117.01825	2.2
117.03343	1.8
119.04897	3.7
121.02835	2.6
123.04378	9.0
125.02321	6.8
125.05981	5.2
127.07526	3.6
129.01830	3.4
135.04402	1.6
137.02348	2.8
139.03893	3.4
141.05423	3.2
145.02849	3.1
151.00261	3.3
151.03864	3.7
152.03419	5.7
161.04466	3.1
165.05542	2.0
165.09129	3.4
167.03407	16.2
175.02368	3.3
177.12630	2.3
179.10612	2.4
193.04970	2.4
198.67628	2.1
203.10728	2.6
205.08580	3.4
207.10112	3.1
209.04495	13.6
209.08067	4.5
211.07449	4.5
215.03377	2.4
221.08156	3.8
221.11743	3.9
222.08681	1.8
223.09779	2.2
227.03459	8.0
235.09723	2.1
239.05521	5.5
249.06102	20.4
251.09184	10.1
252.04335	1.9
255.02985	16.0
256.03412	3.8
263.09180	5.3
265.10886	2.8
267.07190	41.0
271.02457	3.9
281.10413	3.0
283.11856	5.4
284.03253	29.5
285.04016	12.9
286.04419	2.2
293.10318	49.5
294.10629	6.0
300.02637	2.2
301.03348	2.3
305.10190	3.4
323.11346	37.4
324.11520	2.6
353.12527	9.7
354.12775	2.0
371.11362	2.8
395.12790	1.8
413.14749	8.6
415.19543	2.4
425.14578	4.6
473.16156	3.9
489.10269	12.7
490.10342	1.8
515.17401	5.0
533.18677	100.0
534.19086	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	533.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	29.1
59.01260	29.3
67.01754	11.3
68.16344	9.8
69.71860	35.6
69.72285	38.0
71.01263	47.1
76.04420	9.8
76.59431	10.1
85.02823	30.5
87.00750	64.5
97.21391	9.1
98.20530	18.8
100.63869	9.8
101.02338	23.1
102.92004	10.1
103.35217	10.9
117.01833	21.0
129.01860	100.0
141.98938	10.2
147.02858	23.8
181.58487	11.3
190.94249	13.1
191.01910	55.8
191.05534	19.8
198.28554	10.5
232.80385	10.0
309.22388	10.2
400.84637	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	533.1661
Annotation	Amurensin
Peak:m/z	Relative Intensity
57.03314	4.1
59.01250	25.1
63.99339	1.0
71.01254	9.9
71.57597	1.7
71.58008	1.9
72.99166	1.2
73.02808	3.0
75.00733	2.4
85.02827	7.8
87.00765	2.0
89.02320	5.1
93.03320	1.6
99.00789	1.4
99.04417	2.3
101.02308	4.1
113.02337	4.7
119.04893	5.0
121.02874	6.4
123.04380	1.5
134.03569	1.8
135.02826	3.0
145.02863	6.5
147.02835	1.5
147.04420	4.3
148.05145	5.8
149.02226	1.2
150.03091	2.3
151.03877	1.4
162.03072	1.4
163.03894	1.9
175.02411	1.5
175.03809	1.7
176.04688	2.2
179.10583	1.4
180.04172	1.9
189.05521	1.8
191.03487	7.4
191.07080	15.0
192.04207	2.5
193.05005	1.7
194.05804	1.7
195.06461	1.6
206.05717	3.3
209.06056	1.9
209.08095	4.0
220.03589	3.0
221.06012	2.3
222.06787	2.1
223.07602	4.2
233.04362	2.4
233.08006	1.4
235.05872	2.5
235.07877	2.6
237.05528	2.9
238.04681	6.7
239.07112	6.7
249.05606	4.7
250.06288	3.9
251.07077	12.3
253.08751	1.8
255.02997	1.8
262.06287	2.8
263.06995	6.6
264.07852	2.7
265.05014	4.4
265.08588	2.7
266.05792	9.0
267.06635	32.2
268.06903	3.6
277.04990	2.4
277.08414	1.4
278.05768	2.5
278.48325	1.2
279.06635	22.0
279.09689	2.5
280.07077	3.3
281.08157	9.8
282.08923	20.2
283.09579	1.6
284.03394	1.6
293.04599	2.0
293.08191	3.2
294.05331	20.1
294.08942	7.5
295.06009	8.6
297.11340	4.2
299.12891	2.1
307.06155	3.8
308.07071	2.8
309.07709	27.0
309.11053	1.5
310.04846	1.8
310.08124	5.7
311.05515	2.7
321.07712	3.0
322.08368	7.8
323.05615	19.4
323.09061	2.5
324.05753	2.0
325.07181	4.4
326.07959	13.1
327.08542	3.2
327.12384	4.6
329.06528	1.5
337.07272	1.6
338.07956	39.6
339.08405	2.5
340.09384	2.4
341.10287	82.9
342.10660	8.7
353.10281	100.0
354.10617	11.9
369.10468	1.6
371.11307	72.9
372.11688	6.4
395.11453	1.8
489.74246	1.5
503.15692	3.8
533.16003	12.8
534.17065	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	533.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01255	24.4
62.54965	0.4
65.96134	0.4
69.63245	1.6
69.63672	1.5
71.01253	3.0
71.04216	0.4
71.45460	0.4
72.99200	0.6
73.02818	0.7
75.00786	0.8
75.85294	0.4
80.57274	0.4
85.02843	1.6
87.00780	1.0
89.02351	1.3
96.95902	0.5
101.02354	1.3
113.02350	1.8
119.03392	0.6
135.02872	0.6
137.97061	0.4
151.00279	0.7
188.84955	0.4
195.04459	0.5
211.03949	0.9
212.04601	0.6
215.03494	1.3
217.30406	0.5
224.04773	1.3
239.03474	3.4
240.04250	2.3
249.06099	0.8
255.02957	0.5
267.02872	2.1
267.07327	0.6
268.03766	17.7
269.04172	1.2
281.08594	0.6
288.96680	0.5
295.02417	0.4
296.03271	66.2
297.03577	5.1
311.05615	100.0
312.05948	9.0
473.27243	0.6
491.28894	0.6
532.28326	1.0
533.09210	1.0
533.21320	1.9
533.29449	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	533.1303
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.34933	1.1
57.03307	1.6
59.01256	28.3
61.98702	2.8
71.01253	8.6
71.47050	1.1
71.58352	2.0
72.99157	1.5
75.00742	2.9
85.02841	6.6
87.00755	3.5
89.02297	3.5
96.95890	5.2
99.00760	1.8
101.02318	4.1
113.02283	5.8
115.91965	2.0
116.92735	3.0
117.03407	1.5
119.03403	1.4
119.04923	2.5
119.21022	1.2
123.00769	1.2
125.02341	1.2
128.03380	1.6
145.02831	2.6
147.02844	1.4
183.04437	1.4
199.03871	2.5
201.01828	1.4
203.03497	1.8
213.01782	1.3
214.02667	3.3
215.03384	1.6
225.01868	1.5
226.02626	4.2
227.03410	11.3
229.01326	4.5
230.02098	1.8
242.02184	3.8
242.05949	1.3
243.03024	6.6
249.05949	1.9
253.01428	2.6
254.02153	2.7
255.02908	7.4
256.03485	2.3
267.07181	8.0
269.00894	2.2
270.01648	8.4
271.02484	30.2
272.03040	2.6
281.00946	3.3
282.01587	2.1
284.03244	3.4
285.04105	7.6
286.04553	1.8
296.03156	3.7
297.03625	1.5
298.01114	4.9
299.02002	46.8
300.02545	6.1
306.07504	2.8
313.03635	16.6
314.04333	80.2
315.04745	8.6
329.06677	100.0
330.06973	8.0
367.12994	1.8
369.60324	1.3
491.12296	1.5
533.12836	50.0
533.19495	3.2
534.13287	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	533.1304
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03300	0.8
59.01254	12.8
59.01545	0.4
61.98670	0.6
69.38738	3.2
71.01255	3.5
72.99158	1.4
73.02831	2.0
75.00719	1.6
75.99207	0.3
83.01250	0.5
85.02820	2.4
87.00722	0.7
89.02296	0.9
95.01266	0.4
96.95910	0.4
99.00698	0.6
99.04424	0.4
101.02327	2.0
106.39357	0.3
107.01301	0.4
113.02341	2.2
121.02821	0.7
123.04377	0.5
125.02315	1.6
128.03336	0.4
130.14406	0.4
135.04411	0.4
137.02243	0.5
147.04453	0.4
150.03125	0.5
151.00282	2.0
161.01064	0.6
161.02357	8.5
161.75551	0.3
162.02803	0.4
167.03412	0.4
175.03850	0.5
182.98161	0.3
183.04416	1.0
183.13741	0.3
185.02368	2.4
187.00285	0.8
199.03922	1.4
203.03435	3.6
205.05002	0.4
215.03409	0.9
226.02693	0.6
227.03453	12.2
228.03769	1.0
229.01370	1.6
238.24956	0.4
243.00612	0.5
243.02921	3.0
249.06064	1.3
255.02956	0.9
267.07233	1.2
270.01495	0.4
271.02484	19.4
272.02899	1.9
284.03333	0.8
285.03998	2.0
287.05444	0.4
297.03757	0.5
299.01965	66.3
300.02481	8.3
301.03250	0.5
313.03488	5.4
314.04321	68.3
315.04813	8.8
316.05396	0.4
327.05005	0.6
329.06665	100.0
330.06992	9.6
357.86966	0.4
387.16406	0.4
471.19458	0.5
473.10736	1.3
473.27512	0.7
491.28595	0.9
532.29187	0.6
533.13068	2.7
533.21686	1.9
533.29291	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	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94315	1.8
57.03320	7.7
59.01250	54.5
62.71754	1.5
67.01730	2.1
68.99676	3.9
69.03318	2.9
69.31718	19.0
71.01255	29.0
72.99192	9.1
73.02815	6.6
75.00745	19.5
79.05406	6.0
83.01266	2.6
83.04895	2.7
85.02830	25.2
87.00748	11.1
89.02336	8.4
91.03902	1.8
95.01260	5.5
95.04881	2.1
97.02833	2.9
97.06453	10.5
99.00737	13.4
101.02316	4.1
103.00243	3.2
107.04900	3.3
109.06483	3.6
111.00775	4.0
113.02335	29.7
115.00253	1.9
117.01830	3.8
123.04395	3.8
125.05956	2.6
129.01808	4.6
135.00706	2.3
141.05376	1.8
152.03415	7.1
154.32515	1.8
157.01338	2.5
159.04391	2.1
168.72585	1.9
175.02414	1.8
177.12695	3.5
184.73454	2.0
187.03954	2.4
191.01901	2.1
211.07576	4.2
221.11703	3.1
227.03430	23.2
228.03812	2.5
229.05063	3.1
249.06142	28.6
255.02988	47.9
256.03448	5.0
267.07181	45.8
268.07440	1.9
283.11880	7.5
284.03265	87.1
285.03918	33.1
286.04306	4.1
293.10419	3.1
323.11377	2.6
357.15475	2.2
395.11502	1.8
447.09418	2.4
447.81235	1.7
451.88260	1.8
473.16528	2.9
489.10336	48.6
489.20703	2.7
490.11038	5.7
515.17560	3.6
533.18756	100.0
534.19244	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	531.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86648	0.2
55.01763	0.4
57.03328	0.6
59.01254	100.0
60.01593	0.9
70.00729	0.9
71.01259	8.5
71.19141	0.2
72.99179	0.3
73.02822	2.1
75.00754	0.2
83.01257	1.3
85.02833	4.2
87.00758	0.3
87.50893	0.2
89.02318	0.9
95.01270	0.7
97.02856	0.4
99.00781	1.3
101.02328	4.6
105.83478	0.2
107.94132	0.2
113.02341	4.2
114.02595	0.3
119.03369	0.3
125.02379	0.4
135.02922	0.2
143.03380	0.4
153.34567	0.2
159.02942	0.5
160.80614	0.2
160.88826	0.2
161.04460	4.0
197.15427	0.3
213.18681	0.3
259.12772	0.2
317.41443	0.2
357.22791	0.9
375.23865	2.3
453.32272	0.2
471.33240	3.7
472.33594	0.4
480.01584	0.2
489.34360	3.4
490.35153	0.6
531.24988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98697	1.7
64.07605	1.2
69.03306	1.8
71.01255	22.6
71.57839	2.1
71.58237	1.7
72.99192	2.3
73.02826	11.6
83.01264	4.0
85.02827	8.2
87.00755	3.0
88.44178	1.2
89.02322	7.1
95.01263	2.0
99.00755	2.6
101.02332	13.2
113.02348	5.7
117.03358	1.7
119.03400	2.7
119.04865	1.6
145.02869	3.3
161.04547	1.9
178.42883	1.2
194.06830	2.2
238.10431	1.3
251.48582	1.3
265.18118	2.0
267.06808	1.4
353.10040	2.6
411.03552	1.3
445.19806	2.6
445.25110	1.7
450.11560	1.8
469.24509	3.7
487.25516	36.9
488.25772	4.6
489.26682	1.8
531.28168	21.4
532.28070	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	531.3173
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
54.93929	2.1
55.55113	2.1
57.03315	3.6
59.01032	1.8
59.01250	18.2
61.98687	7.3
67.01760	2.2
71.01250	24.7
72.99176	7.7
75.00755	25.4
78.95773	3.3
85.02825	25.2
87.00746	8.2
89.02316	5.1
91.92246	2.1
95.01259	4.6
98.19781	5.4
99.00752	14.3
103.00249	2.8
113.02337	40.2
115.00271	2.0
117.01857	3.0
129.01758	2.7
134.83936	2.0
175.02354	3.7
177.40057	2.2
179.03940	2.3
230.74687	2.1
249.06090	7.2
266.00290	2.0
267.07257	8.3
279.23260	13.5
280.23483	2.7
281.24854	91.2
282.25220	10.6
297.98126	2.4
366.84583	2.3
449.26086	2.2
513.30682	4.1
531.31708	100.0
532.24738	2.5
532.32086	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	531.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03325	0.7
58.00471	1.0
59.01251	100.0
60.01601	0.7
61.26110	0.4
69.39470	0.3
71.01257	15.6
71.05434	0.8
72.99188	1.2
73.02818	4.7
78.95779	2.5
83.01255	2.6
85.02821	5.1
87.00716	1.7
89.02319	10.6
93.06998	1.0
95.01277	1.1
96.96860	0.8
99.00797	1.3
101.02321	13.6
102.02634	0.5
111.00739	0.7
111.08054	1.3
111.64525	0.3
113.02328	7.7
119.03386	5.8
125.02373	1.0
131.03384	0.4
135.08046	0.5
143.03436	1.7
161.04459	3.7
179.05533	1.7
197.19070	0.6
309.27914	0.4
327.29236	1.4
351.29227	0.4
357.86273	0.4
471.33292	3.0
489.34473	6.0
490.34723	0.6
531.27588	1.3
531.35522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98697	1.7
64.07605	1.2
69.03306	1.8
71.01255	22.6
71.57839	2.1
71.58237	1.7
72.99192	2.3
73.02826	11.6
83.01264	4.0
85.02827	8.2
87.00755	3.0
88.44178	1.2
89.02322	7.1
95.01263	2.0
99.00755	2.6
101.02332	13.2
113.02348	5.7
117.03358	1.7
119.03400	2.7
119.04865	1.6
145.02869	3.3
161.04547	1.9
178.42883	1.2
194.06830	2.2
238.10431	1.3
251.48582	1.3
265.18118	2.0
267.06808	1.4
353.10040	2.6
411.03552	1.3
445.19806	2.6
445.25110	1.7
450.11560	1.8
469.24509	3.7
487.25516	36.9
488.25772	4.6
489.26682	1.8
531.28168	21.4
532.28070	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03657	0.7
55.01772	1.2
56.91152	0.8
57.03325	10.6
58.00494	0.8
59.01255	51.4
67.01756	2.4
68.99680	4.1
69.03332	2.8
70.34601	2.3
70.34982	1.6
71.01257	36.1
71.04882	0.9
72.99184	1.9
73.02822	2.7
75.00764	1.2
79.05420	0.8
83.01281	2.8
83.04890	2.0
84.02021	0.8
85.02829	40.7
87.00753	18.6
89.02316	2.6
91.03857	2.1
93.07002	0.8
95.01273	6.8
97.02834	1.3
99.00769	1.8
100.72736	0.7
101.02332	2.6
103.00259	2.2
103.03885	0.9
107.04909	2.0
111.00748	3.9
112.01559	2.0
113.02335	48.6
114.02717	0.8
115.00243	1.0
115.03947	1.0
120.05682	1.7
125.05930	1.4
127.03831	1.0
129.01826	4.3
131.03357	1.8
135.04391	1.5
135.11685	1.7
139.00273	1.9
139.04010	0.8
145.02853	1.6
157.01331	1.8
161.09645	8.0
161.13274	8.7
163.11203	4.2
169.04948	1.0
179.10657	2.0
187.11253	7.9
189.03983	1.3
189.09123	4.7
205.07104	7.4
205.12283	9.7
207.10197	3.2
223.13321	5.2
227.03560	1.0
231.38010	0.8
249.06158	11.9
249.11351	2.3
263.07712	11.5
267.12405	4.2
271.02304	0.9
281.08783	87.1
282.09198	3.4
284.03311	1.5
290.04538	0.9
301.07080	0.8
341.16000	5.7
350.27557	0.8
417.93698	1.1
455.19382	1.6
469.20609	2.0
471.18869	4.0
471.25250	1.1
499.18289	8.1
513.19739	1.5
530.64197	1.6
530.76563	1.5
531.20856	100.0
531.27576	4.1
531.62823	1.0
532.21155	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	529.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55981	0.3
55.01754	0.7
57.03338	0.7
59.01255	100.0
60.01585	0.8
62.78308	0.3
69.25372	0.8
69.25790	2.9
71.01258	11.0
72.99174	0.3
73.02827	3.4
83.01280	2.2
85.02827	4.9
87.00756	0.4
89.02328	1.3
95.01268	0.8
99.00767	1.7
101.02333	6.1
113.02332	5.2
125.02366	0.4
125.09661	0.3
140.15282	0.3
143.03423	0.4
159.02977	0.8
161.04466	5.4
211.13394	0.8
211.17020	1.7
293.21173	0.4
355.21292	0.8
371.98135	0.3
373.22098	1.9
469.31802	4.3
470.32162	0.6
487.32742	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.4
59.01254	45.7
62.69044	1.0
67.01761	2.4
68.99686	3.2
69.03310	3.0
69.24528	3.3
69.24962	6.6
71.01255	35.0
71.36530	0.8
72.02451	0.8
72.99176	2.0
73.02820	2.2
75.00753	2.9
78.95776	1.1
81.03335	0.9
83.01270	3.0
83.04897	3.0
85.02825	41.1
86.03159	0.9
87.00745	14.2
87.26100	0.9
89.02303	3.7
91.03877	1.5
93.03381	0.9
95.01260	6.0
96.95903	7.2
96.96820	1.4
97.02850	1.1
97.06474	1.5
99.00764	1.4
99.04450	1.0
101.02307	2.1
103.00233	3.6
107.04913	2.5
109.02854	1.1
111.00758	3.0
112.01581	1.9
113.02334	51.3
113.21471	1.0
114.01863	2.7
114.02631	0.9
115.00249	1.5
119.04878	1.4
120.05645	0.9
120.18394	0.9
121.02811	1.5
125.06029	0.9
127.03969	1.0
129.01833	4.5
131.03397	1.8
132.08716	0.9
135.02869	1.6
135.04451	1.5
136.01552	1.4
137.02361	1.2
139.00267	1.9
151.03867	1.1
152.04694	0.8
157.01317	2.0
161.09656	6.5
161.13303	6.1
163.03925	1.4
163.11143	2.4
179.10693	1.9
187.11256	7.6
189.03920	1.4
189.09125	4.8
205.07146	5.6
205.12280	7.3
207.10216	3.1
218.69783	1.1
223.13377	5.3
227.03430	2.0
249.06100	10.4
249.11310	1.7
255.03000	4.3
263.07733	11.5
264.08136	1.2
267.12433	2.7
268.85709	1.0
281.08783	86.8
282.09131	5.0
283.02438	1.1
284.03287	3.8
309.07660	2.3
323.09555	1.0
327.12384	1.9
341.15945	5.1
455.19266	2.0
469.20682	1.7
471.18777	4.2
499.18167	6.6
513.19586	1.2
531.20886	100.0
531.65277	1.6
532.21240	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.00471	0.5
59.01248	10.0
69.30080	4.1
71.01256	5.7
73.02817	1.4
83.01259	0.8
85.02808	2.0
87.00743	0.6
89.02322	6.4
95.01267	0.6
101.02322	6.7
107.32919	0.4
113.02319	3.7
118.72936	0.4
119.03385	1.9
143.03435	0.6
153.08521	0.4
161.04462	3.4
171.10095	0.5
179.05501	1.5
179.14230	0.8
181.07010	0.3
185.22815	0.4
192.37883	0.4
195.13838	9.6
196.14426	0.7
205.12334	0.8
223.13341	6.2
224.13748	0.4
228.13663	0.4
251.18649	0.4
253.09267	30.5
254.09517	2.0
256.13208	1.3
265.21732	0.6
275.20126	4.6
292.19974	0.9
293.21225	100.0
294.21552	8.9
421.45480	0.5
447.13339	0.7
492.21692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.6
62.60553	0.7
64.87694	0.7
66.73544	0.7
69.42161	6.2
71.01255	7.5
73.02824	1.8
83.01279	0.9
85.02805	1.5
89.02319	7.5
95.01244	0.8
97.06479	0.9
101.02338	8.6
106.53520	0.6
113.02357	3.6
119.03401	2.1
121.10137	6.9
132.50175	0.8
161.04465	3.5
171.10182	25.1
172.10530	1.3
173.19095	0.7
179.05499	0.9
195.13852	5.8
196.14555	1.0
222.53462	0.8
223.13347	4.2
235.16989	1.9
253.09279	34.0
254.09706	1.7
256.13196	1.3
275.20151	27.1
276.20349	2.5
293.21231	100.0
294.21597	8.0
309.61871	0.9
406.23517	0.9
453.12286	0.8
505.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07996	0.1
55.01760	0.3
57.03323	0.4
58.00467	0.4
59.01252	100.0
60.01598	0.8
61.97775	0.1
69.29964	1.4
71.01255	10.3
72.99185	0.5
73.02818	2.0
83.01265	0.9
85.02824	3.7
87.00755	0.6
89.02321	6.7
93.13628	0.1
95.01282	0.7
97.02854	0.2
99.00748	0.9
101.02328	6.1
113.02334	5.5
114.02657	0.1
119.03400	3.3
125.02374	0.3
131.03413	0.6
143.03423	0.8
148.81668	0.1
149.04453	0.4
159.02956	0.5
161.04471	3.4
171.10226	0.1
179.05554	1.4
181.12245	0.3
211.13370	0.2
225.11411	0.2
229.14287	0.2
373.22482	0.7
373.27386	0.1
412.21719	0.2
469.31717	1.7
470.32071	0.3
487.32776	2.2
488.33380	0.4
529.30713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03690	0.2
57.03321	0.5
59.01252	100.0
60.01580	1.2
61.98735	0.2
71.01255	6.2
71.57784	0.3
72.01606	0.3
72.99207	0.4
73.02818	1.7
83.01227	1.1
85.02826	3.4
87.00736	0.4
89.02347	0.8
95.01269	0.6
99.00756	0.8
101.02325	4.2
113.02341	3.0
125.02425	0.3
143.03432	0.5
159.02905	0.4
161.04462	2.9
183.13843	0.4
207.10382	0.3
211.13441	0.7
211.17007	1.8
227.12782	0.3
235.08742	0.2
253.09213	0.3
293.21082	1.5
295.26526	0.3
314.11725	0.3
325.48245	0.2
355.21283	0.6
373.22360	1.6
453.08237	0.2
469.31601	2.6
487.32504	2.0
496.81995	0.2
528.78406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03323	0.7
59.01255	40.0
60.01607	0.6
61.98708	1.1
62.42456	0.6
71.01258	16.4
71.04900	3.1
71.38087	1.5
72.99181	0.8
73.02818	4.4
78.95783	1.1
83.01266	1.9
85.02823	4.0
87.00757	1.4
89.02324	10.5
94.67465	0.7
95.01254	1.0
97.06522	0.7
101.02319	12.4
113.02339	6.6
113.77634	0.6
119.03400	2.4
122.98349	0.6
123.16711	0.6
131.03464	0.6
135.11691	1.5
138.33850	0.6
143.03403	1.1
152.99529	0.7
157.08600	2.6
161.04514	4.4
169.12386	0.7
177.16515	0.7
179.05571	1.6
183.13835	3.7
200.89296	0.6
201.11215	0.8
209.11887	1.4
209.15434	0.7
217.15996	0.8
219.17497	0.6
221.15495	0.9
224.34328	0.7
231.21138	1.9
233.15457	0.9
235.08176	1.8
235.17014	50.1
236.17332	3.4
253.09277	41.6
254.09662	1.3
275.17068	1.2
275.20175	62.0
276.20502	5.7
293.21234	100.0
294.21603	7.9
305.21182	2.2
469.31644	0.7
530.26538	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	529.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05040	0.6
55.68678	0.5
59.01246	1.6
62.31972	0.6
63.45986	0.5
71.57475	1.1
73.93396	0.6
76.47469	0.6
78.95779	8.7
110.98414	5.6
167.01112	3.3
185.02141	4.0
217.57365	0.6
228.58803	0.7
261.22165	0.7
279.23288	100.0
280.23608	11.6
447.18851	1.0
447.25122	21.4
448.25427	2.9
469.23050	0.7
529.24414	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	529.3021
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.07714	1.0
55.01752	2.0
57.03316	3.9
59.01252	20.8
61.98704	2.5
68.51178	1.2
69.03317	1.0
70.79036	1.0
71.01254	26.3
71.14908	1.0
71.15233	1.8
72.99181	8.5
73.02830	1.5
75.00750	23.7
76.01099	1.3
76.34533	1.2
83.01247	1.5
85.02824	31.3
87.00755	10.7
89.02318	10.0
95.01273	6.4
99.00763	16.4
103.00266	4.2
111.00765	1.9
113.02333	50.8
114.02683	1.2
115.00273	2.7
117.01827	2.8
129.01849	3.6
131.03362	1.9
139.00270	1.7
157.01393	1.7
157.45544	1.1
175.02370	5.8
180.09462	1.0
205.07143	4.2
223.08244	1.8
231.04996	1.3
236.49283	1.1
249.06148	11.3
267.07224	11.8
277.21671	3.9
278.22220	1.4
279.23303	85.3
280.23700	6.4
320.94531	1.2
341.48419	1.2
354.07153	1.1
358.32590	1.0
445.24237	1.2
447.24478	1.3
511.29251	2.6
529.30188	100.0
530.30597	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21694	0.8
55.01760	1.4
57.03321	3.9
58.22593	0.8
59.01252	12.4
67.01765	1.0
68.99667	1.7
69.03324	2.2
69.39977	5.4
69.40392	2.4
71.01257	16.6
72.99175	4.6
73.02805	1.9
74.35416	0.7
75.00751	15.3
81.03299	1.5
83.01247	1.1
83.04901	1.3
85.02827	19.4
87.00754	7.4
89.02325	5.3
93.03329	1.7
95.01280	4.9
95.04884	1.5
97.02248	0.8
97.02839	3.9
97.06451	1.4
98.19846	1.7
99.00771	7.7
101.02318	0.9
103.00258	2.6
109.02853	3.1
109.06431	1.7
111.04394	2.1
113.02332	26.4
115.00230	2.3
115.03185	0.9
117.01842	2.6
121.06490	1.0
122.03620	4.7
123.04372	1.1
124.05206	2.7
137.06000	4.6
139.06557	1.3
139.07562	16.9
140.07851	0.8
141.81558	0.9
143.72339	0.9
157.01266	1.3
163.07550	1.6
164.16591	0.8
168.07808	3.0
175.02411	3.4
177.12819	1.3
180.07851	0.8
187.11220	8.5
205.12292	13.3
207.04938	1.8
229.41194	1.0
231.04996	1.7
231.10127	2.2
235.13458	1.2
249.06143	38.5
250.06514	1.3
261.11285	1.8
267.04361	2.0
267.07220	31.5
268.07532	1.1
279.12375	3.4
511.17847	1.8
529.19244	100.0
530.19672	13.3
530.27014	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09443	2.5
59.01261	15.8
69.03339	3.8
71.01254	22.5
72.99182	5.4
75.00742	10.0
78.89770	2.2
80.60770	2.1
85.02832	18.5
87.00758	11.2
89.02330	6.7
95.01258	4.7
96.95923	2.7
99.00765	9.3
101.02323	3.6
111.04406	3.0
113.02341	28.4
122.03606	4.5
123.73145	2.5
124.05173	2.9
137.05919	3.2
139.07520	4.9
187.11241	6.6
205.12302	6.7
229.51363	2.8
241.23181	2.5
249.06119	16.7
250.48187	2.3
267.07224	43.9
267.11710	2.5
313.70117	2.5
443.99112	2.7
529.19287	100.0
529.49591	2.9
530.19470	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	527.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06141	0.7
54.02686	0.7
59.01251	8.3
61.98701	2.6
67.66317	0.6
68.26517	0.7
71.01249	2.0
71.57494	0.9
71.57877	0.9
72.99167	4.6
73.02820	1.1
74.02346	1.2
75.00746	100.0
75.60197	0.7
76.01102	1.1
81.03311	1.5
83.01271	0.9
83.04890	5.4
96.95922	0.8
98.02290	0.8
99.00767	0.9
113.02305	1.3
125.06102	0.8
142.27209	0.7
170.12178	0.9
178.58234	0.8
224.17792	1.6
225.16153	1.9
238.86906	0.7
245.90669	0.7
333.23141	1.6
351.24048	0.7
449.31125	4.5
467.32367	24.1
468.32599	2.9
486.48401	0.9
527.17474	1.6
528.20691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03322	3.7
59.01244	14.3
67.01745	0.9
68.99674	1.9
69.03312	1.5
69.66135	1.2
69.66546	4.4
71.01250	18.4
72.99174	4.1
73.02802	2.2
75.00745	15.3
80.96384	1.5
83.01262	1.0
83.04865	1.0
85.02814	15.0
87.00741	6.1
89.02303	5.6
91.03819	1.0
93.03336	2.0
95.01247	4.7
95.04886	0.9
97.02811	3.7
99.00754	7.5
99.04431	0.7
101.02300	1.8
102.07162	0.7
103.00243	1.7
107.04903	0.9
109.02806	2.3
109.06439	1.4
111.00739	1.6
111.04409	2.1
113.02325	23.8
115.00283	1.2
117.01778	2.9
119.08504	1.0
121.06458	1.9
122.03609	4.6
123.04385	1.5
124.05173	3.0
129.01782	1.2
137.05960	3.5
139.07550	11.5
147.08002	0.8
149.02341	13.2
149.06023	0.9
157.01331	1.0
168.07779	1.3
175.02489	1.9
175.03928	1.2
177.12665	1.4
178.29964	0.8
187.11208	7.5
188.11516	0.9
189.05635	1.0
190.09911	1.4
205.12297	10.6
231.05096	1.8
231.10094	1.3
249.06119	28.5
250.06322	1.4
261.11133	0.9
267.07178	27.7
279.12299	2.1
394.76718	0.9
450.58423	0.8
485.12775	3.6
511.18155	1.1
529.19220	100.0
530.19611	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91059	0.3
52.32378	0.2
53.87151	0.2
57.03312	1.2
58.70058	0.3
59.01250	8.8
71.01250	5.4
71.04896	0.3
72.99190	0.4
73.02806	0.9
77.05446	0.3
83.01247	0.6
83.04887	0.5
85.02837	1.3
87.00744	0.7
89.02322	4.1
95.01299	0.3
95.04906	0.7
97.02837	0.5
97.06451	0.9
99.00755	1.9
101.02321	5.2
109.06522	0.6
111.08046	5.3
113.02335	1.9
113.09598	0.3
119.03353	1.4
121.10143	2.0
123.08010	0.6
125.09605	2.6
127.11221	0.8
129.01808	0.3
132.83792	0.3
135.11624	0.3
139.11180	0.3
141.09058	0.4
143.03445	0.3
149.09586	0.3
153.12779	0.5
161.04468	1.7
163.11214	0.5
165.12776	0.8
167.10689	1.3
171.10165	0.5
177.12788	1.4
179.05501	0.7
179.10684	1.0
179.14394	0.4
181.12315	0.9
183.13829	3.6
184.14165	0.3
185.11757	2.3
188.86243	0.3
195.13838	3.5
197.11819	0.5
199.13327	0.3
207.10187	1.9
209.11787	0.6
211.13332	0.4
225.11266	3.5
227.12907	0.9
229.19643	0.5
243.12366	2.2
247.20648	2.5
253.09274	17.7
254.09624	1.1
263.20181	3.0
268.11719	0.3
273.18610	3.0
291.19666	100.0
292.20007	10.2
293.21027	0.4
299.14993	0.3
301.16574	0.6
317.16064	1.0
509.27426	0.4
527.21112	0.3
527.28558	5.8
528.28772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.1
56.92803	1.5
57.03326	3.9
57.51531	1.7
59.01252	22.4
65.96868	1.6
66.52816	1.7
70.00811	8.6
71.01256	26.5
72.99186	7.1
73.02807	2.9
73.90917	1.6
75.00745	25.8
81.76014	1.6
85.02821	30.3
87.00753	10.0
87.91405	1.6
89.02306	5.1
95.01265	7.1
98.20493	2.4
99.00753	14.4
103.00227	4.2
113.02336	46.0
115.00297	2.6
117.01842	2.5
175.02380	6.1
202.85263	1.7
205.07196	4.2
223.08183	2.4
249.05984	8.3
267.07230	12.6
277.21719	68.7
278.22083	8.0
348.96146	1.6
359.22708	2.2
374.43219	1.9
381.08212	1.7
396.32855	2.1
408.17624	1.9
462.08401	1.8
509.27679	4.1
527.28595	100.0
528.29010	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03315	3.3
58.00463	1.0
58.53910	0.9
59.01251	17.1
60.51564	0.8
67.01747	0.9
68.99683	1.3
69.03321	2.2
69.40576	7.5
71.01254	20.2
71.57574	0.8
72.99178	5.9
73.02809	2.0
75.00744	24.5
78.89783	0.9
78.95777	2.3
83.01245	2.1
85.02822	26.0
87.00751	9.0
87.13522	0.7
89.02313	3.5
91.03918	0.8
95.01256	6.4
98.20518	1.3
98.82649	0.9
99.00757	12.0
103.00256	2.7
111.00755	1.6
113.01525	1.8
113.02327	32.5
115.00265	2.7
117.01843	2.9
129.01840	2.1
157.01332	1.5
167.01044	0.8
175.02383	3.6
175.24919	0.8
185.02127	1.3
223.08176	0.9
231.05107	2.7
236.51923	0.8
249.06128	27.0
267.07153	4.1
277.21713	100.0
278.21997	9.9
348.12006	0.8
408.07291	0.9
445.23538	4.2
467.26666	1.2
509.27774	3.8
527.28638	84.4
528.28992	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
56.01728	0.8
57.03299	3.7
57.85118	1.0
59.01254	21.7
63.02398	1.0
69.03316	1.6
70.29713	1.0
71.01263	5.5
71.04910	5.8
73.02812	1.7
74.36278	0.9
78.20400	1.0
83.04903	1.7
85.02826	1.6
86.81200	1.0
88.28989	0.8
89.02335	2.1
95.04911	1.4
97.02832	7.4
97.06476	5.6
97.97934	1.0
98.19756	2.0
99.00760	44.0
100.01074	1.5
101.02302	2.7
105.81937	0.9
109.06454	1.9
110.03622	2.0
111.07999	1.5
111.85961	1.1
113.02304	1.5
123.08064	2.6
125.08739	1.2
125.09608	17.9
142.02615	1.6
150.34254	0.9
163.11215	19.7
164.11528	1.8
165.12770	13.3
172.45999	1.0
181.12277	38.3
182.12550	2.2
183.13837	100.0
184.14217	5.4
197.11777	2.5
199.13339	14.7
207.10210	53.0
208.10564	3.4
209.11748	2.4
225.11295	95.0
226.11560	5.8
227.10777	1.8
227.12859	27.5
228.13138	1.7
243.12357	49.3
244.12634	3.8
291.19510	1.3
299.15100	6.6
301.16589	13.9
302.16873	1.2
317.12234	1.8
317.16046	29.8
318.16385	2.9
409.25452	1.2
465.28119	1.2
483.29465	5.2
485.31183	1.2
509.27335	7.2
527.28418	82.0
528.28687	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	527.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.5
63.96102	0.7
69.97026	0.4
70.97704	0.5
70.98042	0.6
71.01250	6.7
73.02834	2.2
78.98464	5.8
79.95607	8.7
80.96392	60.3
81.03332	0.9
81.96274	0.3
83.01261	0.6
85.02834	2.5
87.00758	2.0
89.76079	0.4
94.97968	13.9
94.98579	0.8
96.95885	1.3
97.02834	1.2
98.84676	0.3
99.00733	0.5
101.02337	2.3
106.97971	3.4
113.02374	0.5
122.97463	4.9
125.02340	1.9
127.03857	0.7
134.97478	4.5
136.99022	0.5
148.99057	5.5
152.98538	7.6
164.98558	10.8
165.12708	0.6
182.99677	2.2
183.13860	4.4
206.99652	3.1
225.00702	20.0
226.00974	0.5
227.12898	0.4
238.84737	0.3
243.01804	2.4
299.04434	2.3
419.43939	0.4
483.19247	0.5
527.18030	100.0
528.18359	12.6
539.98816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63188	0.5
51.73079	0.5
59.01234	1.7
61.65631	0.4
63.96106	1.1
69.03303	0.6
71.01254	7.5
71.56669	0.5
73.02803	1.5
78.98455	6.5
79.95605	11.4
80.96389	74.5
81.03331	0.8
83.01226	0.6
85.02813	2.5
87.00754	4.2
94.97958	16.9
95.01299	0.5
96.95884	1.1
97.02818	1.9
99.00790	0.9
101.02322	2.4
106.97952	3.5
122.97474	2.7
125.02350	2.8
127.03879	0.8
134.97467	5.7
136.99046	1.9
137.85985	0.5
147.94824	0.5
148.99036	5.3
152.98566	6.4
162.64420	0.4
164.98535	13.4
165.12889	0.6
183.13831	6.5
206.99614	3.1
221.03227	0.5
225.00693	21.1
227.12939	0.6
232.54411	0.5
247.13737	0.6
261.32211	0.6
299.04361	2.4
364.16544	0.5
458.73853	0.6
483.18799	1.0
527.18024	100.0
528.18304	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	527.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03325	2.7
59.01254	18.8
67.01761	0.9
70.66389	0.7
71.01259	19.7
71.01661	1.1
71.38116	1.2
71.95243	0.8
72.99194	5.0
73.02823	2.8
75.00749	15.7
83.01264	2.0
83.04932	0.8
85.02827	22.4
87.00771	8.2
89.02329	4.9
89.03838	1.2
95.01260	4.3
99.00763	10.9
101.02323	1.8
101.05966	64.2
102.06303	1.7
103.00253	2.4
111.00782	1.0
111.28356	0.7
113.02335	24.6
115.00243	2.1
117.01856	3.4
117.03351	3.0
125.02328	1.3
129.01875	1.4
132.02081	2.0
133.02864	4.1
134.03639	40.3
135.03922	1.1
137.02264	1.1
143.03427	0.9
149.04901	0.7
149.05998	4.2
153.66293	0.7
157.01291	1.2
160.01564	9.5
161.02380	3.6
165.01830	0.8
175.02414	2.9
175.03940	12.9
179.03369	0.8
189.95866	2.0
190.96637	9.1
193.03514	1.2
193.04999	23.7
194.05339	1.0
205.07109	1.8
249.06067	5.4
267.07153	5.2
271.02451	2.0
303.82059	0.8
313.03537	1.6
314.04230	3.9
329.06580	6.5
333.11978	4.0
351.12955	100.0
352.13266	8.0
381.11911	1.6
395.02872	1.0
401.44644	0.7
407.09692	0.8
425.10934	3.3
443.11810	1.4
446.22903	8.1
446.73016	2.0
467.15979	1.0
491.11652	1.9
495.15240	0.8
509.16763	2.0
527.07654	2.2
527.17676	52.0
528.18146	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	525.2704
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
57.03317	2.8
59.01247	5.8
69.03322	10.2
71.01260	2.7
71.04887	4.0
81.03364	1.2
83.04907	2.0
84.85043	1.1
97.02834	1.1
97.06444	1.9
101.02325	1.3
111.07967	1.6
123.04405	1.9
123.08066	3.9
125.09628	7.1
151.11227	3.5
153.12698	1.5
161.09575	6.3
163.11169	1.3
165.12767	13.4
173.79468	1.2
175.00221	1.6
179.10686	18.5
180.10989	2.0
183.13831	60.7
184.14172	3.1
185.11700	3.1
189.99043	1.9
193.15910	1.8
197.11768	74.2
198.12112	4.0
207.42229	1.1
209.11760	2.0
223.09778	3.9
227.12843	9.2
228.01137	1.1
229.52084	1.4
241.10797	11.8
246.72482	1.1
265.10880	1.0
277.69299	1.2
279.06567	5.1
282.05139	1.3
294.05280	4.7
295.05823	3.0
297.13367	4.0
301.16580	5.6
315.14471	10.9
319.26453	1.6
327.23343	1.8
345.24380	4.0
363.25183	2.3
389.23370	7.1
390.23972	1.4
401.10370	3.4
407.34900	1.4
463.27188	7.1
464.26929	2.4
481.27939	6.6
507.26093	4.7
525.27045	100.0
526.27527	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.2
57.03324	2.2
59.01253	50.2
61.98694	5.6
67.31146	1.9
68.04440	1.8
69.03326	2.7
70.05610	8.5
71.01257	30.6
72.99190	7.5
73.02817	5.4
75.00758	20.2
82.92407	1.6
83.01260	4.7
83.02039	2.1
85.02823	30.5
87.00736	10.0
89.02325	7.5
95.01283	5.6
96.95875	3.2
97.02836	3.1
99.00757	18.8
101.02338	7.3
101.05964	76.5
113.02345	26.9
115.00232	2.2
117.01817	3.2
117.03342	2.4
125.02324	7.1
127.62595	1.7
129.01840	1.9
130.08678	3.3
131.03433	2.1
132.02068	2.4
133.02872	3.7
134.03630	38.4
135.04213	1.9
149.05972	4.5
160.01546	10.8
161.02444	2.2
175.03937	13.7
180.23413	2.0
193.05011	25.3
249.05965	5.2
281.01700	2.2
333.11722	3.2
337.12952	2.1
351.12967	100.0
352.13272	7.3
356.36288	2.2
394.96793	2.1
425.10870	4.7
509.16702	2.9
527.17560	50.2
527.25732	3.7
528.17999	6.5
541.07263	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
59.01253	43.3
61.98694	2.0
63.02259	1.3
65.00198	6.8
71.01255	9.2
71.15514	2.3
72.99178	1.4
73.02811	3.1
75.00754	1.4
76.43806	0.7
80.02553	1.8
83.01266	3.2
83.76244	0.7
85.02817	2.6
87.00762	1.5
89.02303	5.6
92.73556	0.8
93.03328	2.0
95.01251	1.7
97.02818	1.1
99.00742	1.6
99.04402	4.3
101.02314	5.1
107.01275	9.5
108.02052	7.0
108.87922	0.9
109.02840	2.7
113.02316	5.9
119.03390	1.9
121.02810	2.3
123.00794	1.2
123.04395	0.9
125.02351	7.7
133.02843	3.8
135.04375	1.5
136.00111	0.8
136.00572	0.9
136.01546	6.7
145.02864	2.8
147.04477	0.9
148.01524	1.3
148.92534	0.9
149.02362	6.0
150.03156	13.4
151.00273	22.0
151.03865	3.2
152.00685	1.0
160.01582	1.4
161.02380	3.8
161.04428	1.3
162.03137	1.1
164.01080	9.4
164.04688	3.3
165.01671	1.3
165.05478	12.1
166.05832	1.1
169.01358	1.3
171.10170	0.8
174.03206	1.3
175.00345	1.0
175.03922	2.2
176.04723	2.4
177.01845	2.2
179.03416	3.1
186.03082	1.3
187.04030	1.5
188.04648	1.2
189.01834	1.4
190.02594	4.8
191.03384	1.4
191.07036	1.6
194.05779	2.9
196.00053	9.7
203.03328	1.6
204.04184	1.9
205.04915	0.9
209.08125	6.1
211.03951	2.1
213.01822	1.2
214.02679	13.1
215.03412	5.4
216.00667	2.0
216.04022	1.1
225.11275	2.3
227.03377	2.6
228.04185	3.5
229.05051	4.0
230.02144	1.8
231.02890	2.8
232.03757	1.5
239.03317	1.8
239.07109	15.5
243.02945	1.7
244.03685	1.7
245.04407	2.3
253.05070	1.8
253.08694	2.3
254.05746	2.3
255.02841	2.0
256.03763	7.8
257.04306	2.2
269.08182	1.7
270.05096	1.4
271.05997	2.5
272.03232	2.6
272.06165	0.9
284.03275	1.1
285.04150	1.8
287.05576	7.5
288.05960	1.2
300.02652	4.2
301.03568	2.0
315.05112	100.0
316.05664	21.4
317.06589	2.5
364.13416	1.1
379.15994	1.2
424.20074	0.9
470.45135	1.1
495.12982	2.3
507.12704	3.5
525.13538	4.1
525.20001	20.3
525.27185	1.2
526.19641	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40071	0.5
55.01748	1.8
57.03082	0.7
57.03331	8.8
59.00951	0.7
59.01254	19.6
69.03334	1.9
71.01257	23.4
71.04877	0.7
72.99187	2.1
73.02817	8.0
75.00770	0.7
79.38390	0.5
83.01257	4.4
83.04905	3.5
85.02345	0.9
85.02831	12.9
87.00761	1.6
87.04408	0.6
89.02322	6.5
95.01269	2.1
97.02864	0.5
97.06493	0.7
98.20546	1.4
99.00769	3.2
101.02329	15.5
111.00764	2.8
113.02327	9.3
119.03391	2.0
119.04879	0.8
121.02776	0.8
125.02354	0.9
129.01826	1.0
131.66719	0.6
145.02866	1.5
145.08574	1.9
152.07085	2.3
152.49068	0.5
155.14262	0.8
159.02827	0.7
161.04451	1.7
174.46136	0.5
179.05591	0.6
183.13820	1.3
189.11244	1.0
197.15352	0.9
199.16959	2.8
205.76665	0.5
213.18420	2.9
227.03424	0.7
229.12234	0.6
229.46391	0.7
243.17361	0.5
243.19554	3.5
244.20192	0.6
315.25320	0.8
343.15253	0.6
359.27829	1.5
361.16684	1.0
361.29611	21.3
362.29904	2.4
442.12167	0.8
521.33124	0.6
523.34888	100.0
524.20563	2.9
524.35217	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	523.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.1
71.01255	2.0
78.95745	1.3
81.47829	1.1
121.02859	1.4
125.01666	0.9
133.02864	24.9
134.03665	9.9
135.04420	49.8
136.04774	3.0
137.02367	5.8
139.03925	2.6
146.76237	0.9
152.99503	1.4
161.02359	85.5
162.02820	4.7
162.06836	2.3
177.09181	1.3
178.02643	2.0
179.03415	22.3
180.03682	1.6
235.06259	1.4
251.85977	1.1
287.22400	6.5
322.45343	1.2
363.25241	1.2
398.01413	1.1
431.24396	39.0
432.24539	5.7
449.25479	18.7
450.25958	2.8
523.29120	100.0
524.29517	18.1
539.85492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.3
57.03329	7.3
58.00466	1.8
59.01252	46.3
61.98722	0.5
68.97710	0.5
69.03339	1.2
69.71452	3.6
71.01256	56.0
72.01595	1.0
72.99193	2.3
73.02820	12.5
75.00742	1.1
79.68782	0.5
83.01263	6.3
85.02825	24.4
85.06452	0.9
85.99945	0.5
87.00749	2.0
89.02322	18.4
95.01265	5.1
95.18030	0.5
97.01599	0.4
97.02831	1.2
97.58953	0.5
99.00773	5.2
101.02325	32.9
102.02634	0.5
103.26944	0.5
111.00765	3.2
111.07254	0.4
113.02327	20.5
114.02644	0.7
117.03356	0.7
119.03409	5.9
119.04871	0.5
125.02322	1.3
129.01814	0.6
139.00169	0.7
143.03403	2.0
143.10672	0.8
145.02803	1.2
149.04526	0.6
153.12732	0.6
159.02902	2.4
161.04468	9.4
179.05557	0.9
229.18095	1.7
245.49130	0.5
249.06468	0.5
287.12411	0.5
313.27344	0.6
315.25491	1.0
361.16763	1.0
361.29559	19.3
362.29825	2.2
375.20163	0.6
403.10449	1.0
442.11523	0.6
453.63687	0.5
498.38083	0.6
523.34875	100.0
524.35211	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	523.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49585	1.8
54.61916	2.3
57.80524	1.5
59.01250	18.8
71.01230	6.3
73.02795	5.2
74.01204	1.6
78.95777	16.6
83.01265	3.2
84.73706	1.4
85.02807	1.8
89.02305	1.8
89.92099	1.4
98.20573	3.8
101.02314	4.8
106.86642	1.7
108.31124	1.6
113.02312	2.8
113.09604	2.4
152.99489	22.5
161.02327	2.0
161.04315	1.9
171.00552	3.1
171.10110	6.8
195.13853	18.5
245.04178	2.4
277.21701	20.6
278.22128	3.5
293.21164	2.5
295.22778	100.0
296.23050	6.3
301.21631	2.6
331.28833	1.5
414.61618	1.8
523.26868	64.3
524.27338	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	523.2907
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01766	3.8
57.03329	1.9
59.01254	100.0
60.12463	1.8
69.38755	1.6
71.01263	38.4
72.99182	1.7
73.02829	11.9
76.30580	1.5
79.17912	1.7
83.01258	6.6
85.02834	21.9
85.99977	2.0
86.62962	1.8
89.02315	7.4
95.01271	4.6
97.02782	2.0
99.00761	4.7
100.31483	1.6
101.02322	25.7
113.02338	17.7
119.03355	4.2
121.65051	1.8
133.02867	2.3
153.23242	1.7
159.02873	2.9
161.04495	8.4
171.10220	2.2
211.03889	3.1
239.03439	9.2
256.96692	1.9
267.02982	11.8
267.71005	1.7
268.03790	6.4
269.04370	3.7
295.22784	4.3
365.22205	2.1
463.27264	4.5
481.28091	11.7
523.13965	3.5
523.29083	96.4
524.29407	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63199	0.5
59.01255	4.0
61.98721	0.5
71.01252	0.6
78.95770	0.9
88.23867	0.4
106.04091	0.5
107.04964	0.7
109.02792	0.6
117.03384	1.4
121.02823	0.8
124.23363	0.6
133.01839	1.1
133.02856	23.0
134.03665	8.7
135.04422	44.2
135.38884	0.4
136.04745	2.4
137.02345	6.9
139.03923	2.2
150.03148	0.7
161.02357	90.2
162.02695	4.1
178.02638	2.2
179.03427	23.4
180.03775	1.5
192.85223	0.4
235.06168	0.7
269.21280	0.7
271.41797	0.5
287.22336	7.3
288.22647	0.6
293.21423	0.8
294.21533	0.6
295.22180	1.6
363.00821	0.5
363.25531	1.0
387.25323	0.8
431.24402	34.9
432.24744	5.4
449.19254	0.9
449.25452	17.6
450.25681	2.3
523.29138	100.0
524.29456	17.7
539.46875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01765	2.2
57.03335	1.5
58.00477	0.9
59.01252	25.1
60.01585	0.7
69.28113	3.6
69.28518	0.7
71.01254	20.1
72.99193	1.7
73.02825	4.9
73.03203	0.7
83.01260	3.3
85.02823	8.2
87.00768	1.8
89.02317	7.8
93.03352	1.3
95.01270	2.0
96.95902	1.0
97.02831	0.6
99.00781	1.8
101.02322	13.5
105.03310	0.4
107.75026	0.5
108.02069	0.8
109.02837	4.9
111.00782	0.8
113.02333	5.9
119.03399	4.1
119.04898	0.6
119.76067	0.4
121.01971	0.7
121.02839	13.1
122.03631	14.4
123.00753	0.7
123.04532	1.9
124.01553	1.4
125.02336	0.4
129.03343	1.3
134.03671	0.8
135.04434	2.6
136.05186	1.7
137.02359	2.1
146.03654	0.6
147.04416	8.8
148.05171	0.8
149.05998	1.6
150.03131	0.6
154.02650	1.5
159.02917	0.8
159.04453	0.5
161.04631	0.6
161.06006	3.7
162.06674	0.6
163.03940	0.8
164.04785	0.7
165.05481	26.4
166.05771	0.8
173.06052	0.5
175.07588	1.1
178.06232	0.7
179.05557	0.5
179.07053	8.0
191.07091	1.5
193.08733	0.5
198.34663	0.4
209.08144	0.5
223.09715	0.6
283.09814	0.6
298.12112	1.6
299.12918	0.6
313.14514	2.7
314.14981	0.5
315.12460	1.8
316.13153	1.0
328.13248	2.2
329.13934	1.2
331.15497	0.9
343.15533	5.1
344.15717	0.6
346.14197	9.6
347.14761	2.6
361.16565	100.0
362.16888	11.9
430.91656	0.4
508.19595	0.7
523.21820	96.1
524.22186	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.7
59.01252	50.2
71.01256	25.3
71.58504	1.8
72.99155	1.7
73.02824	10.6
75.00731	4.1
78.95773	2.4
79.95618	1.2
80.96380	1.1
83.01249	2.6
85.02828	9.4
86.77844	1.1
87.00763	3.1
89.02316	18.8
95.01260	1.9
96.95891	5.3
99.00756	11.5
101.02332	12.2
107.01243	1.1
113.02329	10.2
116.92736	1.6
117.03351	2.5
119.03397	1.9
119.04919	1.6
123.04381	1.7
125.02348	1.7
131.03387	2.2
134.03612	2.3
143.03378	2.8
143.10686	100.0
144.11000	4.9
145.02831	5.4
149.04469	6.8
149.05963	1.2
151.03896	2.5
155.03374	1.5
157.12251	3.3
161.04468	2.9
185.11749	6.3
191.05527	2.2
203.05551	2.9
209.11758	1.7
215.12840	1.9
227.03488	2.2
227.12816	6.7
255.02994	3.4
268.07147	1.3
273.20740	1.5
276.53790	1.1
284.03250	3.7
287.16525	4.0
301.10843	5.2
361.29541	5.5
431.26535	2.1
442.11249	4.5
442.61606	2.3
449.27417	2.6
479.26492	4.0
522.33765	3.2
523.11884	2.5
523.18762	3.4
523.27148	5.8
523.34766	16.7
524.26477	2.9
548.49023	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	523.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.6
59.01255	16.3
61.98674	0.6
63.02266	2.3
65.00195	5.8
69.27262	7.8
71.01255	5.0
73.02823	3.0
78.95776	1.0
83.01263	7.4
85.02831	2.1
87.00762	0.7
89.02314	2.5
93.03315	0.7
95.01266	1.3
101.02341	3.4
107.01285	7.1
109.02854	1.2
113.02348	2.4
121.02881	1.3
123.00729	0.9
124.01552	3.6
125.02355	18.3
127.33066	0.7
133.02846	2.3
137.02362	1.1
138.03169	0.7
138.36810	0.6
141.01556	1.2
145.02844	1.4
149.02383	1.0
149.05991	0.7
151.00285	17.0
152.00996	2.2
161.02341	2.0
164.04732	0.7
165.01846	1.9
167.05084	0.9
169.01387	1.9
170.80998	0.8
171.04410	1.2
173.54358	0.7
174.03214	0.8
176.00986	1.1
177.01872	5.2
181.06516	0.8
182.03720	1.0
183.04486	1.4
184.05164	0.9
185.02324	1.5
188.04735	0.7
189.01866	1.7
190.02548	1.2
193.01355	1.1
193.06561	0.7
199.03969	2.7
200.04671	1.3
201.01880	3.1
203.03479	5.2
205.01324	1.4
209.05988	1.5
211.03979	3.5
211.07585	0.7
214.02753	1.1
214.06282	1.7
215.03381	1.1
216.04245	2.0
217.01414	8.9
217.04684	1.0
221.05925	1.1
223.04013	1.0
224.04704	1.2
225.01888	0.8
225.05495	1.4
227.03448	2.8
229.08669	1.4
231.02930	0.8
231.06651	1.1
237.05508	2.4
239.03456	4.0
240.04182	3.6
241.05128	3.3
243.02815	0.9
245.04456	1.3
246.08899	1.9
248.04799	1.1
249.05551	3.1
251.03439	0.8
253.04994	1.3
254.05627	1.2
255.02936	1.0
257.04474	1.1
261.11307	2.3
263.03436	0.8
263.07181	1.1
265.05087	5.8
266.05670	1.8
267.03015	1.7
275.07141	1.0
279.06555	1.1
280.07394	1.8
281.04596	1.6
282.05176	0.8
285.04047	3.1
291.03076	1.5
291.06314	0.8
293.04556	1.8
295.09674	1.1
297.07611	1.1
301.21820	0.8
302.06006	1.2
305.08383	1.2
307.06003	1.3
309.04004	1.5
311.01999	1.3
313.03671	0.9
315.06641	0.9
317.08099	1.0
319.06137	1.1
321.07535	1.1
325.07028	0.8
331.05988	2.1
332.06622	0.9
333.07623	1.7
337.03665	1.6
343.06155	0.9
345.07703	1.3
345.66953	0.7
347.05524	1.3
349.07101	2.7
355.06445	1.2
359.05576	1.1
361.07156	2.5
365.06665	1.4
371.05618	1.6
372.06119	1.7
373.07175	6.1
375.04773	1.2
381.09747	0.9
387.04797	1.0
388.05579	0.8
388.10025	1.0
389.06570	5.2
390.07162	1.2
399.04688	1.0
400.05890	1.6
401.06699	3.1
403.08139	1.4
404.08838	1.0
405.09787	2.0
415.08344	1.3
416.04782	1.1
417.06079	8.9
418.06567	1.2
419.11478	2.3
423.10892	1.0
431.07648	1.6
432.08844	3.3
447.11096	10.8
448.11163	1.9
449.08646	1.2
461.04684	0.9
463.10074	1.9
464.11038	1.0
476.07510	2.2
479.13562	4.0
491.09863	43.6
492.10193	5.4
508.10077	1.0
523.12463	100.0
523.28979	9.1
524.12830	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
57.03321	4.6
58.00468	1.7
59.01252	42.6
69.03326	0.7
69.24739	2.6
69.25169	3.0
71.01252	50.0
72.01600	0.6
72.99184	2.8
73.02818	12.6
75.00753	1.4
83.01260	7.0
84.02036	0.6
85.02826	21.1
85.99993	0.7
87.00735	3.2
89.02318	22.4
93.06978	2.9
95.01260	4.1
97.02843	0.6
99.00758	5.9
101.02325	30.8
102.02646	0.6
111.00742	2.5
113.02327	21.9
114.02664	0.6
119.03389	9.0
124.63313	0.4
125.02322	1.4
129.01823	1.2
131.03415	0.7
135.04379	0.5
143.03430	2.4
143.10631	0.6
150.32472	0.5
159.02885	3.1
161.04469	14.9
161.05797	0.8
179.05528	1.5
205.03380	0.7
206.22147	0.5
229.18053	10.1
233.09418	0.5
241.14259	0.6
258.89066	0.5
317.10205	1.3
343.41385	0.6
359.28024	11.0
360.28342	1.3
391.23355	10.2
392.23752	1.0
423.81241	0.5
436.10422	0.5
461.31070	0.6
491.32068	0.8
503.31876	0.8
521.33319	100.0
522.33655	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
57.03326	10.1
58.00464	1.9
59.01253	55.8
60.01579	1.0
69.03340	1.6
71.01257	72.7
71.35577	1.7
72.01588	1.3
72.99181	5.0
73.02821	20.0
74.02344	1.0
75.00744	4.8
81.03296	0.9
83.01260	11.8
85.02825	34.3
86.03144	1.3
87.00756	3.9
87.04387	2.4
89.02317	17.4
89.44836	0.8
91.05429	1.0
93.06973	1.5
95.01266	7.2
95.04863	1.2
96.95889	2.7
97.02809	2.4
97.06467	14.9
99.00761	11.9
101.02328	47.9
102.02647	1.0
105.10857	0.9
109.06467	8.3
111.00777	4.7
113.02333	32.7
119.03382	4.9
125.02345	26.7
127.07593	4.3
129.01785	2.0
133.49977	1.0
137.02362	1.3
141.01788	1.6
143.03403	3.0
155.14436	0.9
159.02913	5.9
161.04482	23.0
162.04773	0.9
179.05550	1.5
183.13875	6.4
185.15367	1.1
191.97897	0.8
198.14905	2.7
199.16946	3.5
199.18596	1.0
205.03499	1.0
211.13481	1.1
221.19087	1.3
229.18074	2.7
243.19595	8.6
249.06068	1.4
249.11064	3.9
267.12088	0.9
271.19189	5.4
287.22263	8.7
297.12320	2.8
301.20230	2.0
329.19873	1.0
355.12823	1.8
359.28073	10.4
375.23846	10.6
391.23398	7.2
392.23895	1.5
405.24936	21.2
406.25235	2.4
431.71426	1.0
449.27811	7.1
455.29651	1.2
461.31192	4.4
463.21829	2.0
473.31641	1.2
485.30838	1.7
503.32193	7.2
504.32889	1.1
521.25806	8.9
521.33295	100.0
522.26953	1.4
522.33868	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25296	0.8
55.01752	2.8
57.03325	9.3
58.00475	4.4
58.05088	0.8
59.01254	100.0
60.01599	1.1
60.54447	0.7
69.03336	1.4
69.38305	8.3
71.01257	77.1
71.04885	2.3
72.99184	7.1
73.02818	8.9
75.00738	1.7
79.16103	0.8
82.25369	0.7
83.01263	5.0
83.04923	1.1
85.02344	1.4
85.02827	20.5
87.00766	6.3
89.02321	72.1
95.01276	4.8
97.02853	1.1
97.06479	2.8
99.00771	3.0
101.02327	53.6
101.05981	1.2
102.02632	1.6
109.06473	9.1
113.02339	30.2
114.02551	0.8
119.03394	37.7
119.04247	1.9
125.02321	1.4
125.05926	1.0
127.07543	7.9
127.11201	5.6
129.01819	1.1
131.03372	3.1
142.52385	0.9
143.03400	6.4
145.08600	4.7
149.04437	3.8
151.00284	1.3
159.02907	1.3
161.04471	11.8
171.10010	0.9
179.05533	8.5
185.09639	7.5
189.25635	0.8
213.18568	17.9
214.18910	1.3
249.05885	1.2
263.11316	6.9
287.66608	1.0
289.12833	2.0
307.13962	2.7
341.26999	1.6
359.28131	7.0
395.72699	0.9
419.07770	0.9
461.30981	2.1
479.18881	1.0
521.33331	37.2
522.33551	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	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.0
72.05479	0.7
74.22162	0.7
75.74506	0.7
78.95768	1.2
82.92854	0.7
89.02300	1.4
89.03836	1.0
91.03882	2.2
95.04903	2.3
95.33707	0.7
99.07217	0.7
105.03345	12.5
109.55625	0.7
121.02831	1.2
123.04423	1.4
132.02052	4.9
133.02850	48.1
133.85281	0.7
134.03673	10.8
135.04436	4.9
137.02350	5.4
139.03917	1.5
147.04422	2.5
148.05186	3.7
149.06015	1.8
150.03122	1.5
158.70700	0.8
160.01582	30.5
161.02361	25.1
161.05997	4.4
162.02754	0.9
171.08060	1.1
171.10155	2.6
171.43456	0.8
175.03937	69.2
176.04279	5.2
177.01872	3.0
177.85197	0.8
178.02582	3.3
179.03419	3.1
193.05043	5.5
194.02112	0.8
196.89404	2.1
204.11565	0.9
225.22365	0.7
233.08199	1.0
243.10440	0.8
247.09705	2.8
253.21454	0.9
261.11307	2.2
271.22824	8.7
272.23303	0.9
275.12900	2.3
289.14468	3.0
303.15970	1.7
313.18091	1.1
317.17554	2.9
327.19583	2.0
331.19052	2.3
345.20670	5.4
346.20947	1.0
346.24774	0.9
347.25870	1.8
348.26071	0.9
359.22287	1.5
361.27548	4.0
387.25397	1.2
415.24939	9.5
416.25217	2.4
429.26443	30.5
430.26706	5.7
433.25940	3.7
447.27533	51.1
448.28015	9.5
469.74106	0.8
506.28754	3.9
521.31201	100.0
522.31543	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	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
66.70533	0.8
70.17088	2.6
70.17488	2.1
71.54477	0.9
77.03848	0.9
78.95776	2.3
87.17535	1.0
89.02286	1.0
91.03876	1.2
95.04883	2.8
105.03344	13.5
116.75922	0.8
117.03371	0.9
121.02840	1.2
123.04395	1.8
132.02036	5.1
133.02847	52.2
134.03679	11.7
135.04410	5.4
137.02362	5.2
139.03979	1.1
143.28491	0.9
147.04471	1.3
148.05200	4.4
149.05836	1.0
158.07228	1.3
160.01573	31.1
161.02351	25.7
161.06001	4.0
171.08034	1.3
175.03925	73.3
176.04265	4.2
177.01830	2.7
178.02655	2.7
179.03389	3.3
179.89130	1.3
189.80026	1.2
193.04980	6.8
196.89421	2.7
232.19197	0.9
233.08138	1.8
247.09734	2.2
250.94312	1.1
261.11243	2.0
271.22742	10.8
275.59900	0.9
279.23413	5.0
280.23804	1.0
289.14438	2.2
303.16071	1.3
317.17444	3.1
327.19507	1.4
331.19220	1.4
345.20609	5.7
347.25934	2.7
359.22226	1.3
361.27502	3.8
415.25024	9.8
416.25314	1.4
429.26477	30.5
430.26807	4.4
433.25815	3.6
447.27509	52.0
448.27924	7.9
506.28833	4.2
521.15649	2.9
521.31189	100.0
522.31567	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	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23262	0.4
55.01748	1.5
57.03315	2.1
58.00477	0.8
59.01252	22.4
61.85620	0.4
68.99680	0.4
69.03316	0.9
69.24085	5.3
69.73866	0.4
70.39162	0.4
71.01254	19.9
72.99178	1.9
73.02814	6.1
73.50368	0.4
75.00745	1.3
83.01257	3.7
83.67838	0.4
85.02825	7.7
87.00758	3.0
89.02312	5.0
95.01271	1.7
96.95885	1.3
97.02834	1.0
97.06467	0.5
99.00768	2.0
101.02324	11.2
101.02992	0.5
109.06470	0.6
111.00764	1.9
113.02325	6.2
119.03377	2.3
121.02842	0.5
124.01571	0.5
125.02376	1.1
135.04417	0.4
141.12732	0.8
143.03398	1.0
146.08156	0.4
159.02946	1.1
160.03954	0.6
161.04466	2.0
177.01872	0.6
179.05597	0.9
183.13774	0.5
193.01302	0.5
208.03705	1.0
223.06024	3.4
229.18103	1.2
269.21213	2.0
277.12225	0.6
287.22284	25.9
288.22543	2.9
299.09113	1.3
359.28116	2.1
390.26166	0.6
397.61356	0.5
431.26456	4.9
432.26971	0.7
436.96631	0.5
449.27545	100.0
450.27884	13.4
461.31281	0.5
477.27039	12.1
478.27325	1.6
521.26428	0.8
521.33368	12.5
522.33661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.26
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
54.81558	1.0
55.01768	2.0
57.03325	2.7
58.00468	1.4
59.01254	60.9
68.99691	1.6
69.03317	1.5
71.01254	35.5
71.04901	3.1
72.99192	9.5
73.02839	6.7
75.00751	22.5
75.57476	1.0
81.03341	4.1
83.01268	3.5
83.04899	22.7
85.02825	32.5
87.00758	11.1
89.02328	11.8
93.03358	1.6
95.01258	7.5
97.06512	1.0
98.97542	1.0
99.00760	12.5
101.02324	11.2
103.00292	3.1
111.00783	2.3
113.02333	36.2
113.09608	15.4
114.09958	1.1
115.00273	2.5
117.01837	2.9
119.03401	3.6
125.09682	1.4
129.01862	2.2
131.03432	1.7
143.03444	1.6
143.10709	4.3
149.04416	1.2
159.02907	1.4
161.04520	3.5
174.39612	1.0
175.02414	3.2
183.17464	11.6
205.07063	2.3
209.15416	20.0
209.17242	1.8
210.15607	1.2
213.18684	1.3
223.08221	1.1
227.16489	85.3
228.16870	6.1
229.18176	1.3
230.82161	1.8
231.05113	2.9
249.06152	25.7
263.86975	1.2
267.07166	6.9
269.66550	1.1
359.28009	4.4
459.22510	3.3
461.31177	9.0
462.32086	1.5
477.23404	79.1
478.23874	10.9
479.32288	2.1
521.26184	100.0
521.33417	19.4
522.26544	13.2
522.33307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.1
69.49486	4.8
70.24125	0.6
71.01244	3.4
73.02811	1.1
74.78766	0.6
75.00723	0.6
82.94925	0.6
83.84827	0.5
85.02817	1.6
87.85183	0.5
93.03318	0.7
95.01263	0.9
96.95867	0.8
97.14388	0.6
98.48972	0.6
101.02305	1.3
113.02338	1.8
121.02812	3.6
122.03607	2.2
123.00760	1.6
123.04370	1.0
132.04376	0.8
136.05220	1.7
137.02325	2.1
137.05966	0.6
143.04933	0.8
147.04427	2.9
149.02357	2.5
150.03128	8.3
151.03702	0.8
158.03619	2.6
159.04446	9.8
160.05211	33.6
160.88429	0.6
161.05977	8.9
163.03905	7.5
164.04721	7.9
173.05971	4.5
175.07576	31.5
176.07855	2.0
177.05502	7.9
178.06282	9.5
191.07043	0.7
192.07784	1.5
193.08632	4.8
283.10892	1.8
284.10376	0.7
309.08630	1.2
314.11609	0.9
327.09906	1.0
329.13940	100.0
330.14288	9.8
345.10754	0.8
355.56787	0.6
359.15005	2.1
403.11407	1.4
459.91434	0.7
489.11554	2.6
521.21393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01753	1.0
57.03325	0.9
57.62026	0.7
59.01250	12.7
69.40087	7.0
71.01259	13.1
72.99184	1.8
73.02832	2.7
75.00757	2.1
77.46240	0.7
79.05064	0.7
81.03371	0.7
83.01283	2.3
85.02820	6.0
87.00795	1.6
89.02309	3.4
95.01273	1.0
99.00783	3.1
101.02328	6.6
109.02854	4.9
113.02359	5.8
119.03409	1.2
121.02810	4.0
122.03643	2.3
122.06032	1.2
123.00835	1.3
123.04462	1.3
124.01559	1.2
132.04465	0.8
135.02878	1.1
136.05179	1.4
137.02403	1.3
137.05934	1.1
143.04915	1.5
147.04428	2.4
148.03972	0.9
149.02353	1.9
149.05972	0.8
150.03145	7.2
151.03960	0.9
158.03671	3.6
159.04413	10.0
160.03877	1.5
160.05208	28.1
161.04553	1.3
161.05995	9.2
163.03952	5.8
164.04710	5.5
171.10136	0.8
173.06000	5.9
175.02611	1.2
175.07564	24.7
176.03401	1.2
176.04817	1.1
176.07957	1.7
177.05476	8.2
178.06310	6.3
179.03644	0.7
189.05484	1.2
191.07080	1.5
192.07974	0.8
193.08698	1.9
204.03018	1.3
227.08272	0.9
230.40846	0.8
239.11827	0.9
241.04999	3.1
249.06169	1.0
253.06133	1.0
255.06827	0.8
269.08942	0.8
281.08856	0.7
283.10925	4.5
294.06488	0.9
295.10455	1.0
297.08636	1.0
299.09341	2.3
309.08658	3.6
313.10815	3.2
314.11395	1.8
327.09711	4.5
329.13937	100.0
330.14258	10.0
344.12665	9.8
345.13565	1.0
348.70029	0.8
359.15094	27.9
360.15292	2.9
371.08597	1.1
385.10327	3.9
403.11392	20.6
404.11728	3.1
489.11523	1.7
521.12854	1.6
521.20313	30.6
522.20691	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55161	0.9
55.01755	1.7
57.03309	1.8
58.00467	4.7
59.01252	100.0
60.01600	0.8
67.69289	0.8
70.28354	3.1
71.01257	61.1
72.99190	4.4
73.02823	1.3
83.01286	1.9
85.02830	9.2
87.00768	3.1
89.02319	75.5
90.02668	1.5
94.68460	0.8
95.01292	3.7
99.00687	1.0
101.02328	30.1
104.24969	0.8
108.02046	1.6
109.02858	3.4
113.02324	20.0
113.03065	1.5
119.03398	32.2
121.02834	3.6
122.03568	0.9
125.02313	1.7
131.03384	3.8
143.03413	7.7
143.04517	1.2
143.04715	1.0
149.04494	3.1
156.15215	0.9
159.04416	3.8
160.05170	6.7
161.04504	4.0
161.05968	3.0
172.05249	3.8
173.06059	2.3
175.07545	1.6
179.05525	13.7
187.07582	1.4
189.05487	10.1
190.06267	8.5
205.08685	4.2
281.08200	1.9
284.03299	1.3
296.10611	4.0
311.12909	3.7
329.14099	1.7
341.09842	1.6
341.13916	26.8
342.14304	3.6
521.20361	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06839	0.2
59.01250	0.3
77.19559	0.3
78.95776	45.4
96.96840	5.8
121.02835	1.3
135.04459	0.3
136.04727	0.4
150.97957	1.7
152.99489	100.0
153.99821	1.6
163.45830	0.3
168.06279	0.3
171.00534	3.4
172.53073	0.3
230.33508	0.3
279.23190	1.0
398.61871	0.3
433.23593	17.7
434.23804	2.2
520.26709	2.9
521.26849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39054	0.2
61.24871	0.3
69.36115	2.1
70.08557	0.2
78.95778	48.9
94.58434	0.2
96.96844	6.5
98.19820	0.5
132.22029	0.2
133.06909	0.2
135.30928	0.3
150.26227	0.2
150.97946	1.9
152.99493	100.0
153.99817	1.7
171.00572	3.9
279.23291	1.1
376.07617	0.2
398.75403	0.2
419.41309	0.2
433.23596	20.5
434.23862	2.6
520.26685	2.5
521.26929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.3
71.57677	1.0
78.95779	73.1
86.72553	0.6
90.44151	0.5
96.96851	6.1
129.50969	0.6
150.97929	1.7
152.99496	100.0
153.99847	1.7
160.90739	0.6
171.00552	3.5
171.10126	1.2
195.89163	0.6
237.14961	0.7
259.66232	0.8
279.23264	2.1
350.28015	0.6
415.94833	0.6
433.23575	35.1
434.24026	4.1
520.26886	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	521.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75712	3.3
57.03329	6.7
59.01250	75.8
60.01588	4.0
71.01251	35.0
71.58546	5.4
72.99189	8.4
73.02830	14.1
75.00751	15.7
81.12497	3.1
82.92295	3.5
83.01276	5.1
85.02834	21.9
87.00760	7.5
89.02312	15.4
95.01233	6.0
97.06464	5.4
99.00764	14.4
101.02332	16.2
103.53639	3.4
109.02840	8.7
113.02337	25.3
117.29977	3.2
121.02859	4.6
122.05959	6.4
124.07677	3.5
125.02339	10.6
132.04442	15.2
135.02919	13.0
137.02296	7.1
145.02814	4.6
149.06049	4.4
151.03886	7.7
159.63216	3.3
160.03929	7.9
165.04198	8.9
167.04962	8.5
175.02588	9.9
176.03481	8.7
176.21133	4.6
204.02933	10.6
209.07089	4.7
215.11729	5.0
226.07448	4.1
227.08136	10.3
239.11974	7.6
240.10649	4.4
241.09779	13.7
243.07642	3.9
249.06158	8.7
253.06223	9.3
255.07632	6.6
255.11490	5.3
257.12903	8.8
266.06940	5.8
267.07294	15.1
268.08563	8.4
269.09366	8.4
271.07196	10.3
271.10617	4.6
276.22400	3.3
281.09311	13.6
283.10855	44.0
284.03223	6.7
293.05869	4.9
294.06442	6.0
299.10242	6.3
301.11969	7.2
309.08685	39.9
317.06842	6.9
317.10306	5.0
327.09793	40.2
329.13947	13.4
344.12741	11.4
345.10712	20.7
353.07889	10.2
359.11035	4.6
359.15424	22.3
371.08929	14.8
385.10300	15.9
403.11469	100.0
403.16718	5.8
404.11972	8.4
435.96866	4.2
445.12469	6.8
471.11475	3.7
489.11499	60.5
490.11923	8.7
503.21515	4.9
521.13495	8.9
521.20154	29.6
521.33557	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.6
57.03325	1.2
59.01250	100.0
60.01580	1.5
71.01253	7.7
73.02814	3.5
77.68526	0.5
83.01279	1.0
85.02827	3.9
87.00778	1.5
87.04398	1.0
89.02339	2.8
93.24591	0.6
98.19759	1.4
99.00781	1.1
101.02328	6.0
111.00758	0.8
113.02327	4.5
119.03426	0.9
155.97542	0.6
161.04492	2.8
178.53084	0.6
192.96347	0.6
255.19789	0.5
260.77924	0.6
300.39099	0.6
329.19751	1.0
348.44333	0.6
390.27475	0.5
399.23871	21.3
400.24332	3.1
411.47186	0.6
417.24905	12.1
418.25562	2.0
459.25891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01254	100.0
60.01594	1.1
71.01257	3.4
71.34043	0.6
73.02819	1.5
83.01237	0.7
85.02837	1.2
89.02331	1.4
89.73990	0.5
98.20644	1.2
101.02333	3.3
113.02373	1.7
119.03385	0.8
161.04462	1.4
305.88681	0.5
351.21924	0.6
399.24036	4.7
400.24237	0.7
417.24796	4.3
459.26196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01250	100.0
59.91238	0.4
60.01595	1.0
60.32664	0.3
60.91892	0.3
61.21022	0.3
69.40851	3.1
71.01260	4.6
73.02829	1.0
73.69575	0.3
75.00751	0.6
85.02821	2.5
87.04395	1.0
89.02332	1.0
92.58923	0.3
95.01238	0.8
98.19704	0.6
99.00782	0.6
101.02331	2.2
113.02328	5.1
143.03418	0.4
146.43585	0.4
161.04520	1.3
162.28902	0.3
249.06181	0.8
317.91589	0.4
326.85031	0.4
399.23877	11.4
400.24011	1.7
417.24951	3.8
418.25320	0.4
459.26215	1.8
519.24335	1.9
520.24878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2082
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
55.01759	1.3
55.31479	0.8
57.03309	4.0
59.01252	74.3
60.01573	1.7
61.66003	0.7
61.98687	1.1
65.00169	1.1
66.65015	0.7
68.99680	2.1
69.03307	2.0
69.66340	1.6
69.66755	3.7
71.01255	25.0
72.01576	0.8
72.99185	7.3
73.02815	4.7
74.02342	1.4
74.86990	0.7
74.87407	0.9
75.00354	1.3
75.00750	16.6
81.03312	1.0
83.01257	2.7
83.04867	1.2
85.02826	21.0
86.03167	1.0
87.00751	6.4
89.02312	8.4
91.03870	1.4
93.03314	2.2
95.01258	6.6
96.95910	0.8
98.20531	1.1
99.00755	11.2
99.04374	5.3
101.02332	6.1
103.00247	2.8
104.63328	0.9
111.00740	1.5
111.04429	1.0
111.66209	0.7
113.02324	26.9
115.00248	1.9
117.01833	2.6
119.03367	1.1
119.04959	1.2
124.01502	1.2
125.02315	1.8
128.03458	0.8
128.56381	0.8
129.01816	2.0
131.03375	0.8
133.02771	0.9
136.98671	1.1
139.03926	1.0
143.04527	1.1
151.00249	2.8
155.07066	0.8
157.01317	1.0
161.04457	1.1
165.12732	3.4
175.02402	2.9
179.05525	0.8
183.10135	1.3
189.03979	0.8
189.12840	0.8
189.61798	0.8
205.07062	2.1
207.13815	6.1
209.11806	5.7
225.14958	1.8
227.03397	1.0
231.05038	1.6
233.11728	0.9
249.06131	29.1
250.06367	1.4
251.12939	1.5
255.02913	1.7
256.03552	0.8
267.07233	15.8
269.13925	5.6
271.02393	3.5
271.05978	5.2
299.01828	2.0
300.02762	6.5
309.08231	8.4
314.04346	1.4
315.05093	12.8
315.08505	1.6
316.05408	1.2
325.16440	0.9
343.17487	2.4
357.13748	0.9
424.37521	0.8
457.20880	2.4
475.12286	1.5
501.19745	12.2
502.19913	2.2
504.09470	0.9
519.20715	100.0
520.21069	13.8
520.27899	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
71.01265	31.5
71.75449	3.1
72.99186	5.3
73.02809	15.3
73.86113	3.1
75.00765	3.7
83.01258	5.9
83.04900	9.9
84.27506	3.0
85.02821	15.9
87.00761	9.5
89.02319	9.8
96.99160	3.0
98.20586	5.2
99.00766	6.3
101.02330	21.3
101.05970	20.5
113.02336	15.7
113.09604	5.2
113.92954	2.8
114.16055	2.8
124.01537	3.6
126.92732	2.7
127.57803	2.8
129.01828	5.6
134.48335	2.8
137.05940	2.9
139.03912	4.9
140.95700	3.1
141.12630	3.5
145.02884	5.0
209.15384	9.7
227.16490	43.7
263.01593	3.0
375.16568	7.9
415.23401	13.9
421.16907	3.0
433.24496	30.0
475.25476	82.3
476.25909	5.8
477.30597	4.9
519.24957	13.5
519.31927	14.1
546.91895	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	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.7
59.01245	4.2
69.08552	0.7
69.80525	1.8
69.80931	2.0
70.27396	0.7
70.93243	0.7
71.01256	2.6
73.02809	1.5
79.50411	0.7
85.02827	2.6
87.00803	0.7
89.02327	1.5
93.03369	0.8
95.01265	1.2
98.20528	1.2
101.02325	1.6
108.02070	1.3
109.02885	0.8
111.00745	0.7
113.02300	2.6
121.02833	5.6
122.03610	3.2
134.03647	1.2
136.01558	72.7
137.02005	3.2
151.03911	100.0
152.04253	3.8
159.04382	1.0
160.05211	1.1
161.04472	1.2
162.03146	1.5
163.03917	1.1
175.03835	0.9
175.07596	1.3
249.06113	0.9
264.97418	0.8
268.07343	0.7
269.07983	0.9
281.90845	0.7
342.11081	4.1
357.13416	70.3
358.13785	9.0
386.29181	0.7
448.50626	0.8
519.20380	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72828	0.6
53.35702	0.6
55.01749	1.2
57.03329	3.7
59.01254	42.1
68.99691	1.2
69.03323	1.0
69.16713	0.6
69.47515	5.0
71.01254	15.8
72.99199	3.6
73.02819	1.8
74.02342	0.6
74.88837	0.5
75.00751	10.3
83.01263	18.5
83.04902	0.6
85.02824	17.6
86.03175	0.7
87.00748	5.9
89.02326	4.3
92.18645	0.5
95.01274	4.3
97.18572	0.5
99.00762	7.7
99.04385	2.8
101.02326	2.2
103.00246	1.5
109.06500	0.7
111.00744	0.8
113.02331	22.4
115.00229	2.0
117.01845	1.6
117.37828	0.6
121.02843	2.4
122.03629	3.3
123.04405	2.1
125.02402	0.8
128.03453	1.3
129.01805	2.0
136.05214	1.2
137.05998	3.3
139.00175	0.6
143.04500	1.5
147.04393	1.6
153.84366	0.6
157.01308	1.5
159.37637	0.6
161.05960	1.4
163.03973	0.6
165.12761	2.3
175.02440	2.7
189.12740	1.4
205.07140	0.6
207.04915	0.6
207.13843	4.9
208.33833	0.6
209.08136	0.6
209.11751	4.4
221.08086	1.1
231.05042	1.1
243.06494	0.8
249.06126	9.7
250.06390	0.8
251.12843	1.7
255.02939	1.1
267.07220	30.8
268.07529	2.0
269.13925	2.0
284.03290	0.8
300.06210	0.7
306.07602	1.9
307.07904	2.1
315.05005	2.1
315.08463	0.8
342.11069	2.1
343.10944	0.8
343.17505	5.0
357.13440	38.0
358.13834	3.9
432.60339	0.6
457.20892	1.6
459.18649	3.0
501.19739	4.9
519.20813	100.0
520.21118	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	519.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.1
62.55824	2.0
71.01241	7.0
71.44688	5.9
73.02798	2.2
74.02345	4.1
75.00729	3.8
75.42812	2.5
75.93472	2.1
83.59422	2.3
85.02827	8.0
87.31932	2.1
89.02319	4.7
96.95883	5.5
101.02335	3.0
113.02351	5.2
113.03485	2.7
124.01550	30.0
129.01845	2.4
139.03911	100.0
139.60385	2.1
148.03560	2.4
160.03964	7.0
161.04561	2.5
191.01764	3.7
204.25752	2.4
209.02823	3.8
267.07132	2.3
280.00632	2.0
327.08972	5.6
343.10498	3.6
400.93576	2.4
433.13467	8.4
437.60934	3.5
475.14426	27.8
476.14865	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89851	0.7
53.46204	0.8
59.01254	29.5
60.01585	0.8
65.75928	0.8
68.67773	0.7
69.30815	3.9
69.31240	3.3
71.01251	2.7
73.02795	0.8
85.02838	1.4
88.66537	0.8
89.02309	0.9
95.45762	0.7
99.00751	0.9
113.02303	1.4
143.05553	0.7
195.04529	3.5
211.03943	2.3
223.03809	1.1
239.03479	20.9
240.03795	1.6
249.06166	1.3
254.05859	13.5
255.03139	0.8
255.06119	1.5
265.47128	0.9
267.03012	5.4
282.05359	60.3
283.05698	5.3
297.07684	100.0
298.04904	1.3
298.08026	9.9
299.05194	1.3
300.05429	1.4
519.24030	1.0
519.32123	0.9
520.95978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.1
62.96275	0.2
65.35098	0.1
70.33041	0.4
74.31951	0.1
78.95776	49.4
94.13147	0.1
96.96842	6.7
100.29734	0.1
110.98346	0.2
150.97925	1.6
152.99490	100.0
153.99809	1.7
167.01071	0.1
171.00557	6.0
185.02104	0.2
277.21698	0.7
332.41351	0.1
333.20291	0.2
333.24335	3.1
351.25400	0.9
431.22021	17.3
432.22324	2.4
518.25305	2.3
519.26447	0.7
540.92645	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	519.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44939	4.4
57.03317	9.3
59.01251	79.1
60.01566	6.9
61.15580	4.6
65.00203	8.6
69.65321	29.8
70.62455	3.9
71.01251	38.8
72.99183	9.1
73.02811	7.9
75.00753	15.8
82.34084	4.5
83.01263	59.1
85.02824	32.9
86.03159	8.0
87.00768	13.4
87.04416	4.6
89.02303	9.8
93.03353	5.9
95.01271	10.6
96.36065	4.1
98.19880	5.4
99.00768	11.3
101.02322	7.2
102.42554	4.0
107.01286	10.5
107.39645	4.5
109.02888	3.9
113.02335	32.6
114.02648	8.5
119.03439	4.6
119.04915	25.7
121.02853	8.2
122.03642	15.8
125.02320	18.0
137.05984	7.9
147.84703	4.2
151.00291	44.7
163.57224	4.9
183.13821	5.1
187.15108	5.0
231.34201	4.2
249.06146	13.0
255.15842	4.9
267.07230	36.9
268.07596	22.6
269.07669	29.7
271.06125	86.1
300.02710	7.8
315.05243	8.3
342.10828	6.1
357.09384	7.2
357.13477	89.6
358.13586	8.2
385.65961	4.6
501.19330	5.9
518.19214	11.4
519.19623	100.0
519.32031	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	519.1158
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
57.03308	1.2
58.80574	0.4
58.84814	0.4
59.01251	10.3
63.02253	1.6
65.00196	4.2
67.23138	0.4
70.11749	1.9
71.01253	4.8
72.99159	0.6
73.02775	0.7
76.85166	0.7
83.01268	3.3
85.02819	4.3
85.05161	0.4
87.00740	1.2
89.02306	1.8
93.03329	0.7
95.01263	0.9
99.00763	0.8
101.02312	1.9
107.01270	6.1
109.06470	0.6
113.02331	4.1
119.03458	0.5
119.04919	2.7
123.00738	0.7
123.04419	0.5
124.01505	0.6
125.02336	2.4
135.00757	0.7
137.02341	0.5
148.01570	1.5
149.02281	0.7
151.00276	17.8
152.00674	0.5
159.04436	0.5
161.02328	1.0
161.04401	0.8
163.00342	0.5
163.03885	0.6
164.01103	2.4
165.01823	0.7
167.03459	0.5
169.01353	1.2
175.03897	0.6
177.01840	1.3
182.02122	0.4
183.04428	0.7
186.03148	0.6
187.04018	0.8
190.02621	1.1
193.01331	0.6
199.03864	1.5
199.05582	0.5
200.04729	1.4
201.01843	1.2
203.03488	2.5
209.57199	0.4
211.04083	0.4
212.04568	0.6
213.01733	0.5
214.02657	2.6
215.03398	0.8
216.04172	1.0
226.02736	0.5
227.03537	3.3
228.04190	2.2
229.01370	0.7
230.02145	3.2
231.02905	2.5
232.03708	6.2
233.04227	0.6
243.03014	4.7
244.03581	0.8
249.06172	0.9
255.02991	1.6
256.03766	3.3
267.07272	2.6
268.07556	1.8
269.07764	2.0
271.02496	25.0
271.06085	7.6
272.03082	3.2
272.06155	0.7
274.67505	0.5
282.01593	1.3
299.01978	17.8
299.05383	1.0
300.02744	90.1
301.03140	7.8
314.04279	1.5
315.05109	100.0
316.05460	9.3
459.09442	0.7
460.10062	0.5
475.12585	1.1
477.10229	1.0
519.11511	32.5
519.20050	4.8
519.32092	1.0
520.11823	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	518.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78583	0.9
57.03329	0.9
59.01252	13.1
61.98683	0.9
71.00915	1.2
71.01248	5.2
71.58704	1.4
72.74749	0.9
72.99197	1.1
75.00743	1.8
75.86889	0.9
85.02832	3.0
87.00764	1.2
89.02322	2.5
92.36632	1.0
95.01245	1.3
96.95895	2.7
99.00754	2.0
101.02338	2.2
108.02064	10.1
113.02335	3.7
116.92790	1.2
119.24627	0.9
120.01121	2.3
121.02784	1.4
125.02323	1.2
129.01791	1.1
138.01869	100.0
139.02214	3.6
151.02579	0.9
151.04218	0.9
157.41348	1.1
180.02921	3.3
182.04465	1.8
182.34578	1.0
227.03514	1.6
230.05019	1.1
255.03030	1.9
267.07211	1.5
275.90543	1.0
283.11002	1.0
284.02985	1.6
432.11737	2.1
474.12494	5.0
518.19574	2.3
518.26373	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	518.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24371	0.7
55.01763	2.0
57.03317	1.1
57.99202	1.6
58.02845	0.6
59.01247	2.7
69.90733	4.4
71.01266	2.8
72.00781	6.7
74.02332	0.9
75.00747	1.3
75.01870	25.2
76.28995	0.7
85.02833	6.0
88.03895	1.3
89.02323	1.7
89.03423	1.2
96.95896	2.7
98.02362	3.6
98.19917	1.0
99.00764	15.3
100.03937	0.9
101.02306	1.3
103.00259	0.9
113.02326	1.1
128.03439	1.9
131.04443	0.8
131.08162	0.7
132.04037	1.1
133.06091	100.0
134.06474	1.4
135.04439	1.1
143.04482	1.0
147.02901	1.0
159.04024	35.5
160.04323	1.4
174.07628	1.3
175.04608	1.0
175.08037	0.9
176.00137	2.9
176.06696	59.2
177.07170	1.0
191.01891	1.5
192.02235	0.8
197.01555	0.7
206.74414	0.7
236.90663	0.7
267.94846	0.8
270.46454	0.7
272.08716	0.8
306.07687	1.9
325.09045	0.8
341.10983	3.6
518.12445	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.3
57.46672	0.3
59.01253	100.0
59.21538	0.3
60.01587	1.2
70.65217	0.3
70.89610	0.9
71.01251	4.1
73.02821	4.7
75.00723	0.3
83.01272	1.3
85.02814	1.0
87.00745	0.3
89.02284	1.6
99.00739	0.4
101.02323	4.9
113.02337	2.8
113.87212	0.3
119.03397	0.7
125.02378	0.4
131.03458	0.5
149.04454	0.6
151.00325	0.3
161.04538	1.1
161.49181	0.3
161.59668	0.3
183.76251	0.3
243.66954	0.3
267.07303	0.9
313.03711	0.7
338.57690	0.4
415.23535	0.5
517.11255	0.4
517.18433	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	517.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00807	0.2
55.01761	0.7
57.03319	1.1
58.00472	0.9
59.01253	41.6
60.01588	0.4
69.03336	0.7
71.01254	21.9
72.01601	0.4
72.99182	2.1
73.02820	10.7
75.00739	1.1
81.03330	0.4
83.01261	3.5
83.04892	0.3
85.02820	7.3
86.03162	0.3
87.00747	3.5
87.44553	0.3
89.02316	6.6
95.01279	1.6
97.02845	0.7
98.19820	0.6
99.00745	1.6
101.02322	12.3
111.00755	0.3
112.01558	0.4
113.02336	7.0
113.09570	0.3
116.92609	0.3
119.03394	1.6
124.01572	0.6
125.02352	1.0
125.09628	0.3
131.03429	0.5
143.03400	0.4
169.12265	1.1
173.00980	0.4
223.16902	1.7
249.06183	0.6
267.07239	0.7
269.04660	0.4
277.21756	0.8
295.22766	15.5
296.23099	1.3
297.04108	0.3
297.24350	6.4
298.24808	0.6
312.30347	0.3
313.07193	0.8
313.20200	0.5
313.23837	9.8
314.24207	1.1
325.23883	0.6
365.12915	0.3
457.28098	13.3
458.28601	1.5
475.29089	22.8
476.29477	2.9
517.30157	100.0
518.30518	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
55.46370	0.9
57.03313	5.3
59.01252	36.7
60.99245	0.9
67.01762	1.2
68.99693	1.7
71.01254	25.2
72.99180	4.6
73.02823	2.0
75.00746	17.6
83.01260	1.8
83.04877	0.8
85.02825	25.9
87.00739	9.7
89.02325	6.2
91.03898	1.7
95.01241	5.6
98.20647	1.9
99.00758	9.9
103.00258	2.4
113.02332	33.2
114.02499	1.1
115.00253	2.3
117.01829	2.6
122.13276	0.9
129.01808	2.4
131.03412	1.2
157.01337	1.2
161.09622	3.9
161.13300	2.1
163.11086	1.5
175.02432	3.4
187.11220	3.4
189.09192	1.8
205.07016	1.9
205.12263	5.4
207.04994	1.8
207.10204	1.7
223.13362	2.9
223.82289	0.9
229.63191	1.3
231.05127	1.7
249.06160	26.6
250.06494	1.5
267.07211	79.1
267.12299	3.2
268.07498	4.2
301.49152	0.9
341.16129	2.2
455.19080	3.0
457.17120	5.0
468.17926	0.9
473.20163	1.4
499.18561	5.0
517.19269	100.0
518.19550	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84216	0.6
55.01763	0.9
57.03331	4.6
58.00476	0.5
59.01254	29.3
67.01756	0.5
68.99693	1.6
69.03328	1.5
69.52630	3.9
71.01255	28.4
71.04894	0.5
71.45801	0.4
72.01629	0.5
72.99185	4.9
73.02820	1.3
75.00749	16.5
81.02051	0.4
81.03329	0.5
83.01273	1.1
83.04897	1.1
85.02826	27.7
86.03136	0.5
87.00749	12.0
89.02317	7.8
91.03889	1.5
93.03338	0.5
95.01269	5.9
98.20528	0.8
99.00756	11.5
103.00249	3.3
107.04890	1.2
111.00775	0.8
113.02338	38.6
114.02676	0.8
115.00279	2.0
117.01839	2.2
120.05717	0.5
125.06024	0.5
129.01830	1.9
131.03391	1.1
149.04495	0.7
157.01361	1.4
161.09688	2.2
161.13286	2.3
163.11172	1.2
175.02347	2.8
187.11229	2.8
189.09114	1.3
205.07104	1.0
205.12306	2.4
207.05075	2.1
207.10205	0.9
223.13300	1.6
231.04950	0.5
249.06151	17.6
249.11212	0.7
250.06395	1.0
267.07211	93.2
268.07620	3.7
341.16010	1.9
397.14087	0.6
419.92892	0.5
426.01456	0.5
455.18927	1.3
457.17230	3.0
499.18506	2.7
517.19269	100.0
518.19635	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	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03324	4.3
59.01252	37.7
60.01584	0.8
67.01756	0.8
68.99687	1.4
69.03306	0.6
69.57652	2.3
69.58078	1.6
71.01256	20.7
72.99170	4.4
73.02827	1.5
75.00307	0.6
75.00750	12.6
81.03336	0.9
83.01289	1.2
83.04900	1.1
85.02828	20.9
87.00761	8.9
89.02330	7.3
91.03859	0.8
95.01260	4.5
99.00761	8.6
99.04423	0.7
101.02309	1.7
103.00257	3.2
111.00771	1.1
112.01590	0.6
112.49171	0.5
113.02332	35.4
114.02693	0.8
115.00253	1.9
117.01814	2.0
119.03426	0.9
120.05659	0.7
128.03400	0.5
129.01871	2.7
131.03394	1.1
143.04523	0.9
149.04475	0.9
157.01381	1.1
161.09586	2.1
161.13272	2.4
163.11180	1.5
175.02446	2.8
179.10622	0.5
187.11171	2.5
189.09052	1.5
197.84680	0.6
205.07068	1.5
205.12245	2.9
207.05077	1.9
207.10240	0.8
223.13368	1.4
231.04982	1.0
249.06139	18.7
267.07208	87.3
268.07498	3.3
272.08957	0.7
306.07776	1.3
341.16028	2.0
380.73660	0.6
416.31577	0.6
455.19153	1.3
457.11182	0.7
457.16830	3.6
473.19666	0.6
499.17780	3.1
517.19269	100.0
518.19672	10.5
533.28973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67009	0.5
55.01760	0.9
57.03313	3.2
58.00449	0.6
59.01254	30.0
61.98701	0.7
68.99675	1.1
69.03329	1.3
69.47581	4.3
71.01254	14.9
71.45011	0.4
72.99180	5.3
73.02816	3.4
75.00748	14.0
80.68078	0.6
81.03331	0.6
83.01258	2.0
83.04900	0.7
85.02827	19.4
87.00755	5.2
89.02316	3.5
93.03316	1.5
95.01266	4.7
96.95897	0.7
98.20514	1.2
98.21313	0.6
99.00754	9.3
99.04381	0.6
101.02328	3.0
103.00271	2.1
109.02860	0.8
111.00771	0.8
113.02337	19.8
115.00245	2.4
117.01884	2.5
117.03350	10.0
119.03519	0.7
119.04928	14.2
121.02846	61.2
122.03215	2.7
129.01817	2.0
139.00261	0.8
143.03432	0.6
145.02856	34.4
146.03189	2.3
163.03922	17.5
164.04243	0.9
175.02385	2.0
175.03868	0.7
189.03886	0.6
193.03413	1.9
203.07130	0.7
219.06694	0.6
231.05081	3.0
231.16566	0.5
249.06134	31.8
250.06520	1.9
257.11954	0.5
261.07642	1.9
267.07199	2.0
313.07211	0.7
327.21780	1.8
333.09549	0.8
341.10376	0.7
351.10712	3.2
353.08655	1.4
371.09821	100.0
372.10110	9.7
395.09833	9.5
396.10184	1.0
487.08704	0.9
517.13208	11.1
517.19598	1.6
517.30054	2.2
518.13678	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03744	0.7
54.47665	0.6
55.01751	0.7
56.34944	0.6
57.02425	0.7
57.03319	2.4
59.01252	25.6
63.30098	0.5
63.88873	0.5
66.76156	0.6
67.01768	0.8
68.99687	1.0
69.03320	1.3
69.34093	5.9
71.01254	15.2
71.80361	0.5
72.99181	3.9
73.02811	2.3
75.00748	11.8
75.51769	0.5
83.01265	2.1
85.02821	17.8
87.00756	5.2
89.02317	3.5
93.03342	1.7
95.01270	4.9
97.02827	0.7
99.00756	8.6
101.02317	1.8
103.00250	1.9
108.72948	0.5
111.00773	0.8
111.04414	0.8
113.02331	18.8
115.00246	1.1
117.01823	2.1
117.03352	9.6
119.04914	14.4
120.05159	0.8
120.32456	0.7
121.02845	58.1
122.03169	2.0
129.01822	2.0
134.93001	0.6
135.02846	0.8
145.02859	34.8
146.03194	1.9
160.84094	0.9
163.03932	16.5
164.04178	0.7
175.02420	2.6
193.03503	1.6
211.13158	0.7
231.05042	3.5
249.06143	29.8
250.06509	1.3
261.07669	1.9
267.07217	1.8
327.21628	2.7
333.09756	0.8
351.10800	2.3
353.08813	1.8
371.09827	100.0
372.10187	10.4
395.09848	8.4
474.33871	0.7
475.29218	0.7
517.13196	10.5
517.29584	1.3
518.13647	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	517.1354
Annotation	Lantanoside
Peak:m/z	Relative Intensity
59.01252	14.7
61.00990	0.3
68.99684	0.2
69.21738	0.2
71.01255	1.7
72.99211	0.3
73.02823	2.2
75.00734	0.3
78.75109	0.2
83.01278	0.7
85.02819	0.7
87.00745	0.3
89.02329	0.7
94.06139	0.2
95.01277	0.3
95.76530	0.2
99.00825	0.3
101.02326	1.6
105.33400	0.2
107.32649	0.3
111.00746	0.5
113.02345	1.2
123.00764	0.4
128.08347	0.2
148.01636	0.2
151.00308	0.9
158.03728	0.3
161.04463	0.3
175.02417	0.4
182.03725	0.3
183.04498	0.8
185.02493	0.3
186.03220	0.5
187.03894	0.5
194.03694	0.5
195.04361	0.5
195.11475	0.2
197.06061	0.6
199.03860	0.4
209.06035	0.8
210.03148	1.0
211.03949	8.5
212.01123	0.6
212.04488	0.9
213.01880	0.9
213.05052	0.2
214.02599	0.3
215.03461	0.8
222.50798	0.3
225.05547	0.8
226.02773	0.5
226.06311	5.3
227.03467	2.9
228.04153	0.5
229.04942	0.5
237.02078	0.4
238.02744	1.3
239.03467	3.5
240.04143	0.7
241.04982	0.5
253.04910	0.5
254.02206	0.8
254.05901	0.6
255.02982	30.5
256.03430	3.1
265.01355	0.4
266.02124	0.4
267.07242	0.7
269.04578	2.8
270.05191	1.4
282.01724	1.3
283.02457	12.2
284.03088	2.4
297.04086	4.0
298.04828	100.0
299.05273	12.1
299.08807	0.6
300.06027	0.4
309.14526	0.4
311.05423	0.4
313.07178	63.9
314.07535	6.3
457.11407	0.7
475.12485	0.8
502.11185	1.1
517.13489	33.1
518.13794	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
58.00465	0.2
59.01254	5.4
63.46952	0.2
70.63408	0.6
71.01251	4.1
72.99184	0.2
73.02813	0.8
74.53676	0.2
83.01267	0.6
85.02830	1.2
87.00751	0.6
89.02319	3.4
95.01276	0.4
99.00764	0.3
101.02326	4.1
113.02342	2.0
119.03380	1.0
125.02336	0.4
129.01715	0.2
133.04982	0.3
143.03378	0.3
144.03534	0.2
152.99510	0.3
161.04446	1.3
172.30739	0.2
179.05531	0.7
235.08244	0.9
253.09271	13.4
254.09575	0.7
261.22125	0.3
263.01389	0.2
279.23288	100.0
280.23630	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	515.2865
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
53.18708	0.3
54.39230	0.3
55.01755	1.0
57.03328	1.5
58.00477	0.9
59.01254	54.1
60.01598	0.7
60.76138	0.5
61.98700	0.5
62.64425	0.4
69.03335	0.8
71.01259	23.2
71.04929	0.8
71.58870	0.6
72.99189	2.0
73.02823	17.4
75.00726	0.6
81.03348	0.6
83.01266	6.1
85.02833	7.9
85.06481	0.6
87.00765	2.8
89.02332	6.5
95.01274	1.3
97.02853	0.9
97.06465	0.5
99.00773	1.8
101.02329	15.3
106.63329	0.4
109.06457	0.5
111.00744	0.5
111.04353	0.5
113.02341	7.2
115.03920	4.2
119.03392	2.8
125.02316	1.3
129.05470	2.4
131.03456	0.5
133.20604	0.4
143.03439	0.8
149.04424	0.5
160.03983	0.6
161.04462	1.1
168.15022	0.4
171.10190	1.5
207.10182	1.1
239.16446	0.5
251.16490	0.6
275.20139	2.2
293.21243	11.3
294.21494	0.9
311.22250	4.5
312.22549	0.6
399.55746	0.4
437.25290	1.0
447.45422	0.4
455.26508	8.8
456.26910	1.2
473.27618	16.5
474.21817	0.6
474.27805	2.7
515.28607	100.0
516.28973	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74492	0.1
55.01754	0.4
57.03314	0.2
57.92736	0.1
58.00468	0.3
59.01250	5.4
69.03317	0.1
69.31890	1.0
71.01254	4.6
72.99181	0.2
73.02822	1.0
75.00746	0.4
79.61140	0.1
83.01263	0.6
85.02832	1.2
87.00768	0.6
89.02319	3.4
91.03918	0.2
95.01266	0.4
97.02851	0.2
99.00747	0.2
101.02322	4.3
103.03884	0.1
111.34926	0.1
113.02337	2.0
119.03408	0.8
125.02348	0.2
129.96654	0.1
131.03380	0.1
133.04950	0.3
143.03461	0.4
161.04472	1.5
179.05511	0.7
231.11951	0.1
235.08203	0.9
253.09273	14.7
254.09612	0.7
261.22232	0.3
279.23285	100.0
280.23639	10.8
295.18393	0.1
406.59921	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	515.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26505	13.5
57.58022	13.5
59.01242	84.2
60.64831	12.0
63.10275	11.3
64.67794	12.8
68.94697	12.5
71.01260	44.1
71.56594	21.2
71.57298	18.1
81.91924	12.1
85.02813	16.0
87.16938	11.9
89.02306	66.5
101.02319	33.0
113.02307	31.2
119.03378	17.3
131.08162	50.1
134.31511	12.8
142.99779	27.0
173.10435	15.5
179.05612	38.5
280.96899	12.2
297.68909	13.3
341.10928	100.0
371.69543	14.0
399.32932	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	515.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87100	20.9
59.01249	52.4
66.04493	15.5
71.01246	56.1
71.56786	29.0
89.02335	40.3
113.02367	17.3
119.03387	26.8
131.08192	22.4
165.14204	18.3
173.10390	22.4
297.89584	18.4
341.10843	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	515.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94677	1.2
57.03320	2.4
58.23966	1.2
59.01251	56.6
65.14526	1.0
68.21258	1.2
70.44756	4.6
71.01254	22.5
72.99198	1.5
73.02819	13.7
75.00745	1.5
83.01240	6.1
85.02819	8.3
87.00741	4.1
87.04388	3.8
87.05125	1.1
89.02281	6.0
95.01257	1.9
99.00759	3.7
101.02325	13.7
113.02328	6.1
114.01826	1.2
119.03403	1.5
125.02314	2.7
223.16974	16.6
235.17030	3.7
275.20255	4.4
283.74905	1.2
291.19568	1.3
293.21289	10.0
311.22327	17.2
312.22705	2.1
415.32257	1.2
418.02844	1.2
455.26450	17.5
456.26776	2.5
473.27539	27.8
474.27936	3.6
515.28595	100.0
516.29102	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	515.2862
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01752	0.5
57.03322	0.7
59.01252	100.0
60.01591	1.0
71.01254	15.8
71.58336	0.8
71.58691	0.5
72.99194	1.2
73.02822	10.8
83.01265	3.3
85.02835	4.4
87.00789	0.8
89.02325	5.0
95.01271	0.9
95.85954	0.5
97.02879	0.5
99.00790	1.1
101.02329	10.5
102.02686	0.5
109.06460	0.8
113.02327	3.9
119.03407	2.6
131.03410	0.9
143.03401	0.9
158.14307	0.4
161.04468	0.8
163.11241	0.5
174.01564	0.7
179.13171	0.5
206.32512	0.4
223.23346	0.4
236.67123	0.4
275.20059	0.6
293.21219	1.6
370.74582	0.5
413.25485	0.9
437.25162	0.5
455.26596	3.1
473.27441	5.8
474.27853	0.6
497.27618	6.8
498.27963	1.5
515.28589	69.1
515.70013	0.8
516.21948	0.6
516.29004	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67247	0.7
54.52380	0.7
55.01755	1.4
58.00470	1.7
59.01252	100.0
60.01592	1.1
69.03336	2.8
69.41275	7.0
69.44638	0.7
71.01255	51.4
72.99184	1.9
73.02820	79.5
75.00747	1.6
81.03355	0.7
83.01259	20.7
84.01583	0.8
85.02832	5.5
87.00773	2.0
89.02332	6.7
95.01284	1.2
97.02853	1.1
99.00802	1.7
101.02326	50.5
102.02656	1.2
113.02335	14.0
119.03418	2.0
122.78059	0.6
125.02353	2.7
131.03389	3.0
143.03442	3.9
145.02739	0.9
149.04488	2.9
155.03407	1.6
161.04471	6.0
175.14833	1.7
190.82080	0.7
229.19612	7.3
235.17116	0.9
261.18564	7.0
273.18604	54.3
274.18967	5.6
279.19684	2.1
291.19656	51.9
292.19992	5.8
293.21185	1.4
309.17166	1.9
309.20789	9.4
310.21255	1.2
312.16748	0.7
355.28271	0.8
371.94559	0.7
403.20554	0.9
453.25153	1.4
471.25873	3.6
513.27051	36.3
514.27759	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
56.22167	0.1
57.03313	0.2
58.00461	0.3
59.01252	7.4
68.99653	0.1
69.03323	0.1
69.32368	0.7
71.01257	5.3
72.99178	0.3
73.02814	1.1
77.64412	0.1
83.01253	0.7
83.04889	0.2
85.02826	1.3
87.00753	0.7
89.02318	4.0
89.56279	0.1
91.03880	0.2
95.01259	0.4
97.02829	0.3
99.00777	0.4
101.02327	4.9
103.03900	0.1
113.02332	2.5
114.02665	0.1
115.03858	0.1
119.03398	1.0
125.02324	0.2
127.07538	0.2
131.03401	0.2
133.05022	0.3
143.03392	0.4
145.04909	0.1
147.53143	0.1
149.04482	0.1
149.13399	0.1
157.04898	0.1
161.04475	1.9
179.05537	0.6
187.06044	0.1
205.19519	0.1
209.45796	0.1
233.22777	0.4
235.08234	1.0
253.09264	15.7
254.09673	0.9
259.20676	0.4
275.20117	0.3
277.21719	100.0
278.22055	11.0
278.25317	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	513.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
58.00482	0.5
59.01251	7.4
71.01251	5.0
73.02815	1.2
83.01260	0.5
85.02823	1.3
87.00745	0.4
89.02311	4.1
101.02322	5.2
113.02366	1.9
119.03396	0.8
123.64957	0.3
131.40849	0.3
133.05008	0.3
143.03378	0.6
157.04959	0.4
161.04457	1.8
163.69000	0.3
179.05515	0.6
189.23796	0.3
233.22702	0.5
235.08156	1.0
253.09268	14.6
254.09567	0.8
259.20700	0.5
277.21722	100.0
278.22064	9.3
535.37341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88068	0.1
54.05732	0.1
56.18889	0.1
59.01251	1.9
60.01582	0.3
61.01674	0.2
61.98704	100.0
62.98396	0.2
70.51894	0.1
70.81173	0.1
71.01266	0.4
72.99190	0.1
73.02838	0.1
75.00756	0.2
83.04906	0.4
84.05257	0.1
85.02811	0.2
99.00705	0.1
104.49506	0.1
113.02354	0.3
122.45393	0.1
123.08024	0.1
145.02835	0.2
230.06564	0.2
267.07312	0.3
268.07605	0.2
285.25500	0.1
414.11121	0.1
452.33325	0.6
453.33514	0.7
454.33746	2.0
455.34286	0.1
463.84866	0.1
514.32654	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
58.00454	0.8
59.01253	21.0
60.43357	0.5
63.01961	0.6
67.01754	1.0
68.38783	0.5
68.99684	1.8
69.03317	2.0
69.41708	5.1
71.01255	21.0
72.99183	4.7
73.02808	2.7
75.00748	14.5
80.01957	0.5
81.03342	0.6
83.01266	1.1
85.02824	21.0
86.03122	0.7
87.00755	7.1
88.22778	0.7
89.02319	4.8
91.03874	0.9
93.03337	0.9
95.01252	5.3
95.04900	1.0
96.95875	0.5
97.02823	1.5
99.00758	8.2
101.02331	1.7
103.00241	2.4
109.02841	2.0
111.00762	0.8
111.04419	2.3
113.02333	24.9
114.01850	0.6
114.02633	1.3
115.00259	2.0
117.01820	2.4
117.03367	0.7
117.05456	1.3
119.04912	1.1
121.06449	0.8
122.03645	1.2
125.05992	2.3
129.01849	2.2
131.03448	0.6
135.08046	0.8
136.05229	2.1
138.06761	1.4
139.07538	2.9
143.17076	0.6
145.02867	2.7
148.05180	1.5
149.05980	0.9
151.07578	5.3
152.08331	2.8
153.09146	0.8
157.01369	1.6
157.80269	0.6
159.11739	0.6
161.09604	0.7
163.03963	1.2
163.07550	2.2
175.02377	2.1
186.10393	0.6
189.03941	0.5
189.05577	0.9
189.09227	0.9
201.12776	6.0
202.13000	0.9
203.10645	3.9
204.11526	7.9
205.07140	1.1
205.11804	0.9
219.13855	14.7
220.14166	0.8
230.09500	0.9
231.05019	2.2
245.11784	3.0
249.06142	34.9
250.06485	1.2
263.12885	5.0
267.07211	29.9
268.07526	1.4
367.12363	4.8
402.72348	0.6
470.26184	1.3
495.18613	2.1
513.19806	100.0
514.20135	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	513.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38412	1.5
57.03305	2.5
59.01250	73.0
61.98702	12.9
62.46111	1.6
67.09785	1.6
69.03336	2.1
69.27424	17.5
71.01253	28.4
72.99181	4.3
73.02811	10.0
75.00741	6.3
83.01273	1.9
85.02826	9.7
87.00756	8.1
87.04392	6.1
89.02316	14.7
95.01276	2.9
99.00752	5.7
101.02313	14.5
113.02322	15.7
119.03419	2.6
119.04875	2.5
125.02324	2.0
125.09647	2.3
134.03595	2.9
161.02362	2.6
161.04449	5.1
163.03951	3.0
164.04211	2.7
171.10216	22.6
172.10481	5.0
176.96854	23.8
177.05467	4.9
179.10690	2.3
193.04993	4.0
197.11725	5.1
197.90242	1.9
199.09673	5.3
213.11354	3.2
215.12837	100.0
216.13167	10.4
231.56367	1.7
253.09216	16.7
254.88683	1.9
274.00601	2.1
313.03320	2.8
337.11505	8.5
365.10220	1.9
397.19278	2.0
420.19290	3.0
453.25018	2.2
513.20618	2.4
513.27478	2.3
514.21985	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	513.2702
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01768	0.8
58.00473	1.1
59.01254	100.0
60.01588	1.6
61.98717	0.7
69.03322	1.4
71.01254	22.5
71.04890	0.4
71.57698	0.4
71.58112	0.4
72.01594	0.6
72.99181	1.2
73.02823	23.9
75.00750	2.1
78.95803	0.4
81.03300	0.5
83.01262	6.7
85.02822	5.1
87.00755	1.6
89.02318	3.8
90.03027	0.4
95.01278	1.0
95.04933	0.6
96.95915	0.7
97.02820	0.7
99.00774	1.5
101.02328	19.2
101.03005	0.9
102.02596	0.4
105.97519	0.4
113.02336	6.2
119.03391	0.9
122.14558	0.4
125.02326	0.9
131.03406	1.4
138.01862	0.5
143.03496	0.9
149.04492	0.8
155.03377	0.7
161.04472	2.0
161.13293	0.4
187.11238	0.5
211.13264	0.6
229.19510	0.6
249.06171	2.0
263.12881	0.9
267.07254	4.1
273.18546	1.2
291.19662	27.9
292.19986	2.7
293.64200	0.4
309.20477	0.6
361.54916	0.4
396.21420	1.2
396.71707	0.5
453.24915	1.4
471.26160	2.0
495.26224	2.0
496.26941	0.5
513.27008	48.7
514.20215	0.8
514.27393	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75423	0.4
56.18181	0.4
60.17403	0.4
71.34212	1.1
75.69699	0.5
78.95781	19.4
80.57160	0.4
86.95468	0.4
95.91884	0.4
96.14571	0.4
96.96826	2.0
101.16515	0.4
102.11761	0.4
112.75693	0.4
127.62562	0.4
150.97935	0.8
152.99501	31.7
171.00511	1.5
181.83107	0.5
213.05330	0.5
227.03224	4.2
245.04324	1.8
258.56528	0.5
280.75928	0.4
281.24860	100.0
282.22025	0.6
282.25180	9.9
328.70828	0.4
417.23935	0.9
509.28851	44.4
510.29193	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	511.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23794	0.2
57.03318	0.7
59.01244	0.9
71.37291	0.3
71.37631	0.2
73.02828	0.2
83.04926	0.2
93.36706	0.2
97.06478	0.7
109.06480	0.2
111.08039	1.9
137.09598	0.2
163.11234	0.4
165.12770	21.1
166.13110	1.0
183.13832	100.0
184.14169	5.7
209.11787	4.3
227.12836	16.7
228.13127	1.1
283.15509	1.3
301.16580	11.4
302.16925	0.7
331.26462	0.8
349.27444	0.2
358.86404	0.2
375.25409	0.5
449.29077	1.1
467.30219	1.4
493.28079	1.3
511.29108	22.6
512.29437	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57218	0.6
62.45579	0.7
85.36429	0.6
97.06492	0.8
111.08044	1.2
165.12767	19.1
166.13133	1.2
183.13829	100.0
184.14153	5.4
209.11823	3.5
227.12839	21.7
228.13028	1.3
283.15570	1.4
301.16583	10.4
302.16962	1.0
331.26349	0.9
341.05713	0.6
375.25351	0.8
411.09845	0.6
437.33990	1.8
467.30136	1.1
493.27710	0.9
511.28796	22.7
511.34744	2.3
512.29382	5.4
518.71869	0.7
523.40961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3039
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
62.64406	1.7
69.92198	4.7
69.92632	5.9
78.95781	14.7
96.96799	1.7
98.20440	2.8
145.67741	1.7
152.99498	24.7
158.57961	1.6
227.03156	3.4
283.26413	100.0
284.26859	10.6
419.25101	1.7
435.80792	1.7
511.30389	54.4
512.31165	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03318	2.1
57.17747	0.5
58.00459	0.5
59.01251	15.8
67.01752	1.1
68.99684	1.9
69.03331	1.6
69.57706	3.6
71.01257	16.8
72.99174	3.5
73.02827	1.5
73.66269	0.5
74.54897	0.4
75.00747	13.1
77.25934	0.5
81.03304	0.8
83.01273	1.1
83.04906	1.0
85.02827	16.1
86.03154	0.5
86.90903	0.5
87.00764	5.0
89.02319	4.0
91.03894	1.0
93.03335	1.1
95.01271	4.0
95.04887	0.5
99.00761	8.1
101.02340	1.5
103.00213	1.1
107.04898	0.4
109.02834	1.2
111.00771	0.7
111.04391	1.1
113.02328	21.3
114.02699	0.6
115.00294	1.7
117.01840	1.7
119.08576	0.7
121.06443	0.6
125.06013	1.2
129.01839	1.5
131.03259	0.4
135.08047	0.8
136.05246	1.3
138.06667	0.6
139.07527	0.7
148.05223	0.7
149.04474	0.5
151.07512	1.5
152.08351	1.0
156.02901	0.4
156.04234	0.4
157.01306	0.6
159.11723	0.5
161.09700	0.5
163.07581	1.5
175.02400	2.4
175.03735	0.4
175.53728	0.4
185.09625	0.8
186.10522	0.6
189.03938	0.5
189.09142	1.0
201.12798	6.5
202.13156	0.7
203.10788	3.5
204.11504	9.9
205.07220	0.6
205.11847	0.7
209.02934	0.8
219.13857	11.6
220.14185	1.1
230.09514	0.5
231.05026	1.9
245.11723	2.4
249.06139	30.0
250.06429	1.6
263.12857	6.7
267.07202	28.9
268.07495	1.1
362.68781	0.5
495.18802	1.4
495.34338	0.5
513.19769	100.0
514.20142	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19455	0.3
55.01757	4.1
57.03323	5.6
58.00459	1.3
59.01252	32.3
60.01570	0.5
68.99693	0.4
69.03332	0.8
70.25454	1.5
71.01254	57.8
72.01599	1.0
72.99174	2.9
73.02818	17.5
75.00743	2.1
78.95785	0.4
83.01254	8.3
84.02014	0.6
85.02823	29.1
85.99977	1.0
86.03159	0.7
87.00755	3.0
89.02322	10.2
93.35098	0.3
95.01266	5.3
97.02823	1.5
98.19874	0.4
99.00756	7.3
101.02323	32.5
102.02666	0.6
103.05731	0.4
111.00757	3.7
113.02332	23.9
114.02684	0.7
119.03374	2.4
125.02341	1.8
129.01817	1.2
131.03415	1.2
139.00418	0.3
143.03418	2.2
149.04414	0.7
149.19141	0.3
159.02911	4.0
161.04472	17.7
162.04810	0.6
177.93225	0.3
179.05463	0.4
180.67661	0.3
193.03429	0.5
197.15398	0.6
205.03481	0.5
213.18553	1.5
249.05977	0.4
267.07343	0.5
267.19724	1.6
293.08679	0.4
293.17371	0.3
299.25723	0.6
311.18576	1.1
314.10281	0.6
327.28979	0.4
345.30093	8.7
346.30325	1.1
434.78482	0.3
463.25159	0.3
481.39365	0.3
507.35355	100.0
508.17874	0.6
508.23691	0.8
508.35675	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	509.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36583	1.7
57.03322	5.0
57.87229	1.7
59.01255	15.8
63.02297	2.4
65.00207	4.6
70.01635	9.6
71.01252	6.6
73.02804	2.5
73.67141	1.7
75.00749	4.7
81.03339	2.4
82.10250	1.7
83.01275	5.4
85.02840	5.5
89.02336	2.2
95.01296	11.5
98.20604	2.2
99.00807	2.7
101.02321	3.4
107.01314	10.6
111.00765	2.5
113.02357	5.9
123.00760	5.0
124.01569	12.1
125.02351	35.3
131.01257	2.1
137.02367	6.3
139.03854	2.2
151.00281	25.7
152.01065	15.1
152.04697	3.7
153.01842	6.6
165.01941	2.4
167.03424	2.2
169.01308	4.7
176.01089	3.5
178.99788	23.2
181.01337	2.7
193.01341	2.6
203.03557	2.5
245.04610	8.5
249.06229	3.0
255.02917	2.3
260.06985	4.6
261.07666	2.2
275.09213	6.4
288.06403	2.7
303.08633	3.5
304.05838	6.8
319.08243	100.0
320.08511	10.3
343.08221	34.3
347.07767	31.5
348.08154	4.1
361.09393	12.9
373.09302	5.7
460.21252	2.0
465.19754	4.6
481.13535	32.6
482.14005	4.7
509.12704	4.4
509.19443	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	509.1701
Annotation	Marikarin
Peak:m/z	Relative Intensity
51.83393	0.4
58.63806	0.3
59.00950	0.5
59.01250	8.7
59.73655	0.3
60.01563	0.4
61.98686	0.5
63.96095	0.9
66.91577	0.4
69.03337	0.7
71.01257	8.2
72.99192	1.0
73.02830	2.5
75.00758	0.5
78.95795	0.5
78.98468	5.9
78.98887	0.6
79.95165	0.3
79.95601	9.7
80.96393	64.4
81.03317	0.7
83.01230	0.6
85.02834	3.3
87.00743	3.3
89.02329	0.9
94.97961	15.9
95.01238	0.5
96.95893	1.3
97.02822	2.0
99.00764	0.9
101.02324	2.8
106.97957	3.3
113.02334	1.4
119.72535	0.4
122.97459	3.4
125.02345	2.6
127.03818	0.6
134.96558	0.4
134.97487	4.1
136.99031	1.5
146.97440	0.6
148.99057	7.3
152.98535	5.8
164.98541	9.8
165.12770	0.7
167.00124	0.6
183.13812	0.9
184.42567	0.4
206.99619	2.8
225.00697	15.6
226.01089	0.5
243.01762	0.7
249.05917	0.6
267.07300	0.5
301.16281	0.6
444.45306	0.4
471.51074	0.4
509.16965	100.0
510.17310	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.9
57.03318	6.3
59.01255	100.0
61.98693	4.1
62.55341	3.8
69.03338	5.1
71.01257	56.2
71.39072	10.1
72.99174	4.1
73.01709	5.6
73.02818	19.7
75.00732	5.1
80.96368	4.6
83.01276	11.7
85.02827	23.0
89.02331	11.5
99.00744	10.8
99.05663	3.7
101.02342	36.3
102.02615	4.9
113.02357	22.6
143.03413	5.1
161.04434	10.5
230.48030	4.1
273.16986	5.1
291.18253	12.4
423.22223	21.2
465.23364	50.8
466.23895	11.5
478.16003	5.3
508.35626	28.5
509.35861	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.3
62.45599	0.2
64.10767	0.3
69.32402	0.3
71.01250	0.5
73.13930	0.3
89.02332	0.9
89.69263	0.3
91.03882	0.9
98.19665	0.6
117.03351	20.4
118.03640	0.6
119.04918	33.5
120.05230	1.3
121.02848	4.4
123.04389	1.1
133.02843	1.1
134.03590	0.4
145.02856	100.0
146.03188	5.2
162.03143	0.9
163.03923	20.7
164.04225	1.0
165.83743	0.3
230.08569	0.3
269.21213	2.1
284.12216	0.3
287.22311	8.0
288.22723	0.6
347.25842	0.6
371.25925	0.4
415.24899	14.9
416.25275	2.4
433.25931	19.1
434.26376	2.8
507.29630	56.1
508.29929	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83273	0.3
59.01250	3.9
62.44948	0.3
71.01273	0.6
71.06548	0.3
71.06902	0.7
83.01235	0.3
87.39257	0.3
91.03899	0.7
93.03340	0.4
95.04896	0.3
117.03349	22.3
118.03681	1.0
119.04917	33.3
120.05238	1.2
121.02850	3.8
123.04398	1.4
133.02820	0.8
145.02855	100.0
146.03192	5.0
147.22061	0.3
162.03159	0.8
163.03918	21.0
164.04265	1.2
174.17146	0.3
189.71193	0.3
269.21179	1.7
287.22284	8.6
287.66559	0.4
288.22614	0.6
289.10840	1.1
347.26025	0.4
415.24884	15.3
416.25299	2.2
425.18658	0.3
433.25934	19.4
434.26370	3.1
470.69861	0.3
507.29614	57.0
508.29938	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	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46471	0.4
55.01764	4.4
57.03320	6.4
58.00475	0.6
59.01254	25.9
69.03306	0.6
69.75629	2.7
71.01257	46.1
72.99168	2.5
73.02821	13.7
75.00741	1.3
83.01260	7.0
85.02824	24.4
85.99941	0.6
87.00748	2.3
89.02329	7.8
95.01266	3.7
97.02828	1.3
99.00767	7.1
101.02326	30.7
103.52238	0.5
103.53447	0.4
106.05543	0.5
111.00761	3.7
112.97387	0.5
113.02335	20.2
119.03400	2.5
125.02322	1.8
129.01819	0.9
131.03419	0.5
143.03424	2.3
148.89621	0.5
155.14227	0.5
159.02905	4.5
161.04471	15.9
162.04819	0.8
171.08186	0.6
179.05502	0.9
194.76289	0.5
211.13435	1.2
213.18541	1.4
223.11493	0.5
253.40709	0.5
257.21310	0.5
285.97437	0.4
296.59586	0.5
345.30099	7.3
346.30307	1.0
383.13367	0.6
390.55530	0.5
410.10580	0.5
507.35382	100.0
508.24045	0.6
508.35706	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.5
57.03327	9.3
58.00458	3.0
59.01250	81.6
60.01570	1.8
61.96962	0.7
69.03304	0.8
69.62075	5.1
70.00154	0.8
71.01252	97.1
72.01591	1.0
72.81221	0.7
72.99183	5.8
73.02818	24.6
73.81850	0.7
75.00748	1.8
78.95750	1.9
80.66677	0.7
81.03355	0.8
83.01257	11.8
84.02036	1.0
85.02822	41.7
86.03164	0.8
87.00767	4.9
89.02316	41.7
90.02622	0.8
95.01252	8.4
97.02836	2.7
99.00752	10.3
101.02322	70.8
102.02653	1.2
111.00735	1.5
113.02328	40.8
119.03397	17.3
125.02318	1.7
127.11160	1.5
129.01860	2.1
131.03375	1.5
142.44420	0.7
143.03448	4.8
149.04482	2.0
151.79170	0.8
159.02896	8.5
161.04460	34.4
162.04662	0.8
179.05505	3.7
205.03413	1.3
213.18608	1.8
225.21121	0.8
299.25970	1.3
311.22363	0.7
336.23196	0.7
345.30066	33.9
346.30353	4.0
358.74872	0.7
507.35339	100.0
508.27496	1.7
508.35651	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	507.2824
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01751	1.1
56.75220	0.2
57.03326	1.1
57.16857	0.2
58.00460	0.4
58.06955	0.2
59.01254	100.0
60.01591	0.8
61.98696	0.5
65.00211	0.3
67.01767	0.2
69.03346	0.5
71.01257	9.6
71.89188	0.2
72.99191	0.8
73.02818	4.3
75.00764	1.0
83.01248	2.8
83.69127	0.2
85.02830	6.4
85.99964	0.6
87.00764	1.0
89.02313	1.2
95.01276	1.0
96.95870	0.4
97.02864	0.7
99.00772	2.2
100.47019	0.2
101.02332	8.6
107.01290	0.8
111.00783	1.0
113.02336	3.8
113.19167	0.2
121.14215	0.2
125.02327	0.8
129.01837	0.6
130.13947	0.2
133.66643	0.2
134.03621	1.2
135.03055	0.2
135.03983	0.5
136.03989	0.2
149.05989	0.9
151.00275	1.8
152.00621	0.7
153.00739	0.3
159.02957	0.8
161.04474	1.0
169.01372	0.2
183.13815	0.4
212.56139	0.2
221.39680	0.3
243.01749	0.2
243.19687	0.9
249.06169	0.4
257.17676	0.9
267.07297	0.4
270.92004	0.3
285.20633	0.6
294.02237	0.3
301.07162	2.1
302.07529	1.9
303.07773	3.6
387.23987	1.2
403.26779	0.5
405.24936	2.9
406.25552	0.3
429.25107	0.6
447.26001	3.4
448.26340	0.3
465.27008	4.4
465.32962	0.4
466.27188	0.4
489.27051	6.3
490.27548	1.0
507.28113	93.2
508.28442	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	507.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
55.07010	0.2
57.03325	1.3
58.00463	0.5
58.10372	0.3
59.01254	100.0
60.01584	1.0
61.98707	0.3
65.00176	0.4
65.66566	0.3
66.21574	0.2
66.21974	0.3
69.03316	0.5
71.01253	9.6
72.99184	1.0
73.02819	4.0
75.00764	0.8
77.27954	0.3
83.01262	3.0
85.02827	6.7
85.99963	0.5
87.00763	1.1
89.02341	1.2
95.01270	1.0
95.10448	0.2
97.02840	0.5
99.00235	0.3
99.00757	1.6
101.02326	7.9
107.01283	0.9
107.04939	0.2
111.00770	0.9
113.02334	4.2
113.03072	0.4
113.43766	0.2
119.03439	0.3
123.08084	0.3
125.02354	0.5
129.01855	0.5
131.03369	0.3
134.03644	0.9
135.04042	0.6
137.02304	0.3
149.05963	0.6
150.06282	0.4
151.00275	1.3
152.00638	0.6
153.00702	0.4
159.02910	0.5
161.04494	1.2
163.45154	0.3
183.13853	0.3
222.07886	0.3
229.69633	0.3
243.19611	1.0
249.06151	0.5
257.17612	0.6
267.07205	0.4
285.20773	0.3
301.07254	2.3
302.07523	1.4
303.04633	0.5
303.07773	2.7
303.21915	0.3
387.24054	1.5
402.52652	0.3
403.26984	0.8
405.24963	2.9
406.25497	0.4
429.24908	0.6
447.25964	3.3
448.26642	0.3
459.18622	0.3
463.33792	0.3
465.27023	4.2
466.27646	0.4
489.27051	6.7
490.27374	1.0
507.28110	99.8
508.28452	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	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14159	0.2
59.01258	0.3
69.31587	0.6
69.31989	2.2
78.95309	0.5
78.95775	8.9
96.96862	0.8
98.19830	0.6
98.96688	0.3
152.99498	14.3
153.99829	0.3
161.02345	0.4
171.00511	1.5
190.14104	0.3
201.64256	0.2
227.03233	3.0
245.04269	1.6
261.22302	0.3
279.23288	100.0
280.23608	10.8
281.24881	3.1
282.25189	4.5
411.20947	0.3
507.27298	20.4
508.27670	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	507.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	2.9
57.03320	4.4
59.01254	100.0
71.01250	42.1
71.01610	3.3
72.20026	2.9
72.99160	4.0
73.02832	19.4
75.00734	4.5
77.03934	3.1
78.95779	6.2
83.01252	5.7
85.02824	23.1
87.00744	4.2
89.02305	13.2
95.01264	4.5
96.95877	5.4
98.20554	8.0
99.00760	13.1
101.02325	18.5
113.02322	24.3
125.02299	4.7
131.03386	5.4
145.02843	5.5
159.02895	4.4
161.04451	6.7
165.01767	5.2
183.13870	4.3
191.05385	3.2
195.80632	2.6
229.74638	4.9
236.14882	3.5
249.06427	3.7
251.38503	3.3
255.02939	7.0
268.67163	3.0
270.64420	3.5
277.82745	3.1
289.16672	5.3
311.05600	9.9
339.48975	3.2
421.20645	14.6
448.67770	3.1
463.21866	28.9
464.21985	4.1
506.33395	3.9
507.24234	4.5
507.28354	3.5
507.34943	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75776	1.6
59.01253	100.0
60.01590	2.1
62.27998	1.2
63.68340	1.2
71.01256	8.9
71.12282	3.3
71.12619	1.9
72.99186	4.2
73.02808	3.1
75.00753	2.1
78.23864	1.3
83.01273	2.1
85.02833	4.3
87.00739	1.7
89.02307	1.5
95.01266	1.8
101.02303	5.0
113.02324	4.8
121.02859	3.1
122.69437	1.6
135.77994	1.6
141.09129	1.8
151.03856	1.9
161.04362	2.6
194.11844	1.4
221.47803	1.5
241.05038	6.3
243.15956	9.0
244.16527	1.8
267.07086	2.8
275.34644	1.4
309.55920	1.4
328.49994	1.7
329.10315	1.6
345.13409	19.4
346.13824	3.5
375.17157	1.7
387.20346	12.6
405.21213	4.4
409.52850	1.8
447.22247	6.1
500.77835	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	507.2606
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.18935	0.7
54.88482	0.8
57.13259	0.7
59.01253	7.4
61.98695	0.9
66.03334	0.9
71.01242	1.3
71.02358	1.0
73.03943	3.8
83.02377	1.4
84.00793	1.8
84.13972	0.8
91.37973	0.8
93.03337	3.2
98.19772	2.6
99.01898	1.8
107.04926	1.5
110.01099	0.9
111.01900	1.3
113.03423	0.8
115.08656	7.3
118.06531	0.9
119.04919	11.2
125.07097	1.5
126.02985	1.2
126.05492	2.6
131.04875	0.8
134.06020	1.5
137.07120	5.3
141.06573	3.5
142.28008	0.7
146.06029	5.3
153.06548	1.8
154.09755	1.4
155.03328	1.0
155.08203	4.0
162.05522	2.5
168.07768	0.7
169.13339	1.3
170.09306	5.3
172.10826	12.4
175.08640	1.8
179.08159	1.6
179.11789	1.1
185.04921	0.7
196.41063	0.8
197.12903	1.5
198.08759	1.2
200.10727	2.4
203.08066	1.5
214.15527	5.3
226.15793	0.8
228.10228	2.6
229.57869	1.3
233.12836	1.0
245.12926	5.5
262.15652	7.8
344.20132	1.2
401.21939	35.6
402.22192	4.2
507.26114	100.0
508.26395	17.1
512.29193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50137	0.5
55.01761	5.0
57.03323	5.3
58.00461	1.3
58.31205	0.5
59.01254	35.3
63.07957	0.5
69.03329	1.3
69.40371	3.8
69.40784	1.0
71.01257	68.9
72.01575	0.9
72.99187	2.0
73.02824	20.3
75.00751	1.2
82.27933	0.6
83.01264	9.3
85.02828	33.7
85.99963	1.5
86.03188	0.6
87.00760	2.6
89.02322	13.7
93.06986	6.3
95.01273	6.2
97.02837	2.1
98.19851	1.3
99.00773	10.2
101.02329	43.3
102.02691	1.3
108.99252	0.6
110.65771	0.5
111.00764	4.2
112.11250	0.5
113.02337	30.0
114.02663	0.5
119.03391	4.4
124.01586	0.7
125.02338	2.4
129.01822	1.6
129.34311	0.6
131.03400	1.1
139.03828	1.0
141.01811	0.6
143.03410	2.3
159.02933	5.8
161.04485	28.5
162.04802	0.8
179.05537	1.2
197.15331	0.9
200.92657	0.6
205.03520	1.0
213.18488	4.2
250.11739	0.6
283.06110	2.3
343.28497	4.4
375.23831	9.3
376.23853	1.0
401.37628	0.6
445.31519	1.2
475.32785	1.9
487.33173	0.8
503.32205	0.8
505.33850	100.0
506.34131	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	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.5
55.19817	0.4
57.03328	4.7
58.00471	2.0
59.01254	52.5
60.01584	0.7
67.90911	0.4
68.99653	0.5
69.03323	1.2
69.36219	3.7
69.36624	0.6
71.01256	78.9
72.01587	1.0
72.99179	2.8
73.02822	22.6
74.03163	0.4
75.00745	1.4
81.03374	0.6
83.01258	12.5
85.02826	39.9
85.99976	1.2
86.03165	0.9
87.00753	3.5
89.02319	15.3
93.06968	6.6
95.01273	7.3
97.02863	2.5
97.03415	0.4
99.00761	10.6
101.02324	49.0
102.02665	1.0
111.00774	4.4
113.02332	33.7
114.02682	1.0
117.16220	0.4
119.03401	5.6
119.06866	0.4
120.57367	0.5
125.02317	2.0
129.01848	1.6
131.03403	1.2
132.02089	0.7
141.01765	1.1
143.03403	3.3
159.02888	7.0
161.04471	30.7
162.04768	1.3
165.01875	1.6
179.05545	1.3
197.15468	0.6
205.03450	1.0
212.04507	0.6
213.18544	4.8
239.03462	1.7
267.03012	2.0
268.03760	15.1
269.04080	1.1
282.05359	1.3
283.06113	42.9
284.06491	4.6
285.59436	0.5
343.28461	5.4
375.23892	11.6
376.24036	1.2
404.21304	1.4
415.59531	0.5
445.11478	0.6
445.31647	1.3
469.31601	0.7
475.32852	2.1
487.32501	1.0
503.32278	0.7
505.33829	100.0
506.34113	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	507.1142
Annotation	2''-Acetylcallunin
Peak:m/z	Relative Intensity
57.03320	14.1
59.01252	32.3
65.00192	3.0
68.88456	1.1
69.03318	1.0
69.26633	11.3
71.01263	5.5
75.00730	2.0
80.96386	1.9
81.03339	1.2
83.01271	7.0
85.02811	4.1
85.64086	1.0
87.00751	1.3
93.03307	1.8
95.01241	4.2
96.95882	2.3
99.00785	1.7
101.02320	3.7
104.69633	1.1
106.02604	1.0
107.01260	2.8
108.02072	1.7
108.16669	1.1
109.02803	3.0
111.00755	1.3
113.02321	2.6
115.41074	1.1
117.03341	2.0
119.03382	1.4
119.04885	2.1
121.02831	2.6
121.05485	1.0
122.03550	1.7
123.00758	2.6
123.04375	3.7
124.01537	9.0
125.02343	100.0
126.02647	2.6
132.70894	1.0
133.02849	1.9
134.03641	1.9
135.02945	1.5
137.02367	7.0
137.92145	1.0
139.00201	1.2
139.03891	2.0
145.02835	3.3
147.04390	1.9
149.02312	3.5
150.03091	5.0
151.00294	10.4
151.03917	6.0
151.99948	1.3
152.01065	15.4
153.01831	6.7
159.04390	1.7
160.05133	1.7
161.02328	1.2
161.04372	1.1
161.05913	1.9
163.00175	1.8
163.03839	1.4
165.01799	1.3
165.05428	3.0
167.03357	1.3
173.05974	1.6
174.03062	1.8
175.03961	5.8
176.01016	2.0
177.01740	4.9
178.99802	9.3
181.01318	1.3
181.04999	1.1
188.04657	2.6
189.05507	5.3
191.03372	2.1
193.04968	6.1
199.03883	1.7
203.07156	1.5
211.13326	1.7
213.05617	1.6
215.06950	2.0
217.05025	9.9
227.03497	1.9
231.06505	2.2
241.04897	1.8
257.04434	2.2
259.06052	16.0
267.07156	1.4
275.05478	4.8
284.03223	2.6
285.01025	1.5
285.04022	27.8
286.04291	1.6
303.05124	5.8
315.12375	5.0
322.09393	1.4
356.51303	1.3
357.14182	1.6
387.11038	2.6
389.12720	1.2
417.11935	5.9
437.10812	1.4
442.11804	1.3
447.26212	1.6
447.31595	1.2
463.12451	2.4
465.09720	1.4
465.27231	1.4
479.05225	1.5
479.11972	26.5
480.11902	2.1
489.10199	9.3
507.11227	55.4
508.11377	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	505.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07879	0.7
51.76307	0.8
55.01753	3.2
57.03326	7.2
57.75776	0.8
58.00476	4.1
59.01252	100.0
60.01572	1.4
68.99677	1.0
69.03326	1.7
71.01255	73.7
72.01585	1.0
72.99178	7.2
73.02821	12.8
75.00742	2.5
83.00765	1.0
83.01251	6.7
85.02827	26.8
87.00751	5.1
89.02322	47.3
93.06998	1.5
95.01269	4.7
97.02830	1.0
99.00753	6.9
101.02324	53.8
102.02637	2.2
111.00829	0.7
111.08020	0.9
111.76601	0.9
113.02335	30.8
115.03912	0.8
119.03397	23.1
125.02333	1.6
127.11169	2.3
131.03398	4.0
143.03430	6.7
149.04454	1.8
159.02888	2.6
161.04475	18.8
179.05515	5.4
188.97057	0.8
201.81595	0.8
213.18590	6.7
221.06601	1.1
291.14365	1.5
301.15350	1.1
343.28412	8.7
344.28955	1.2
346.78366	0.8
439.23276	3.0
445.23413	1.4
445.31744	2.0
454.23392	1.4
463.25195	1.1
463.32602	1.4
505.26837	1.7
505.33820	36.2
506.26541	1.6
506.34097	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	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.1
59.01249	17.1
69.03327	1.6
71.01252	21.9
72.99183	7.7
73.02821	2.5
75.00745	22.7
84.85841	1.6
85.02826	31.3
87.00762	9.2
89.02313	5.2
91.03899	1.7
95.01272	6.3
98.19738	2.6
99.00761	11.7
103.00244	2.7
113.02329	36.9
117.01833	3.6
117.13315	1.5
129.01807	2.3
152.99565	1.5
157.01347	2.5
175.02409	5.4
205.07077	2.5
231.05038	2.0
243.44003	1.6
249.06145	7.5
255.23276	98.9
256.23575	8.4
267.07129	9.0
279.23224	6.2
487.29150	2.5
505.30203	100.0
506.30676	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	505.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83189	0.4
55.01767	0.8
55.55802	0.4
57.03340	1.8
58.00491	0.6
59.01254	100.0
60.01594	1.6
65.64774	0.3
69.03333	0.7
71.01257	16.6
71.58706	0.5
72.99190	0.9
73.02818	4.9
75.91286	0.4
83.01250	2.6
84.71848	0.4
85.02825	8.3
87.00771	1.1
89.02314	5.5
95.01290	1.4
97.02849	0.8
99.00763	2.3
101.02329	8.9
109.35101	0.4
113.02335	5.9
115.00246	0.7
119.03411	2.5
124.01514	0.5
125.02329	0.6
131.03453	0.6
136.01538	0.4
143.03430	1.3
145.34727	0.4
159.02946	1.1
161.02390	0.6
161.04471	3.3
179.05589	0.8
193.84415	0.4
205.03621	0.5
209.11763	10.6
210.12166	1.0
213.18633	0.8
235.08109	0.4
253.09315	1.2
301.27493	1.9
343.28607	1.4
445.31741	9.9
446.32153	1.4
463.26370	0.6
463.32809	9.9
464.33081	0.9
505.25156	0.6
505.34427	2.2
505.76010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59522	0.4
59.01250	1.3
63.44836	0.5
69.28239	2.6
69.28671	2.2
78.95776	11.7
81.84433	0.5
96.96826	0.9
97.04434	0.5
101.20264	0.4
103.92934	0.4
118.35474	0.4
141.82599	0.4
144.79134	0.4
152.99496	20.8
171.00528	2.0
225.35121	0.5
227.03241	3.6
245.04274	2.3
259.20737	0.5
277.21725	100.0
278.22116	9.0
505.25751	27.1
506.26163	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	505.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01001	0.5
59.01246	3.6
61.20535	0.4
69.28693	4.8
71.01232	0.7
88.98666	0.6
89.02319	1.1
91.03892	0.6
96.95874	0.6
117.03347	24.8
118.03635	0.8
119.04916	33.4
120.05257	1.4
121.02820	3.5
133.02795	1.1
135.60388	0.6
145.02853	100.0
146.03189	4.0
162.03151	1.2
163.03918	23.5
164.04297	0.9
267.19565	2.6
285.20688	7.5
300.02499	0.6
345.23996	0.5
413.23318	14.8
414.23694	2.2
431.24353	19.5
432.24768	2.5
497.37741	0.5
505.28058	56.6
506.28400	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	505.2809
Annotation	Mucronine A
Peak:m/z	Relative Intensity
52.13263	0.3
52.88343	0.3
54.39190	0.3
59.01250	2.9
71.01260	0.7
89.02298	0.4
91.03895	0.8
98.19761	0.9
108.20959	0.3
110.98403	0.3
117.03349	25.2
118.03694	0.9
119.04916	32.1
120.05239	1.3
121.02847	3.7
123.04429	1.2
133.02821	0.9
145.02855	100.0
146.03201	4.6
162.03168	0.9
163.03917	23.2
164.04257	1.0
208.01535	0.3
229.87184	0.4
237.07611	0.4
237.62361	0.3
267.19684	1.4
285.20718	9.0
337.23648	0.4
344.39389	0.4
345.24268	0.6
413.23300	16.3
414.23474	2.0
431.24365	19.2
432.24600	2.0
505.28073	61.1
506.28418	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76799	0.5
57.03335	1.1
59.01254	100.0
60.01588	1.2
65.39970	0.5
69.45465	3.5
69.45883	1.3
71.01249	8.5
71.04915	1.1
72.99184	0.7
73.02821	7.8
75.00752	3.2
83.01275	3.0
85.02820	2.8
89.02321	2.1
89.12453	0.5
94.79998	0.5
95.01292	0.9
98.19816	1.3
101.02325	10.8
109.02844	0.6
113.02332	4.8
115.73225	0.5
119.03393	1.3
119.86474	0.5
125.02430	0.6
137.09531	0.8
137.10638	0.5
143.03394	0.7
149.04507	2.1
161.04472	3.7
165.09132	0.6
205.12204	0.7
221.06686	0.7
223.13344	3.0
238.42467	0.6
241.14565	0.8
300.02890	0.7
301.03918	0.6
385.18597	8.2
386.19025	0.7
403.19617	4.0
445.20651	9.0
446.21237	1.4
468.70731	0.6
470.64200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64568	0.5
59.01247	1.1
64.93614	0.6
69.25900	0.7
69.26208	6.0
72.92680	0.5
78.95779	29.1
81.39352	0.6
96.96851	2.6
107.39977	0.5
150.97858	0.7
152.99498	43.2
171.00529	2.3
224.06808	0.6
227.03250	6.1
245.04237	1.1
259.20554	0.7
270.25156	0.7
277.21722	100.0
278.22086	8.1
279.23352	4.7
280.23630	6.9
384.62885	0.6
397.43408	0.5
413.20956	1.3
431.21521	0.6
461.25119	0.6
505.25711	51.0
506.26059	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.8
59.01252	100.0
69.59789	6.7
69.60220	4.2
71.01257	12.6
72.52092	1.3
73.02830	3.3
83.01254	2.8
85.02834	4.5
86.73776	1.3
89.02357	3.3
97.02879	1.3
99.00723	2.4
101.02342	13.8
113.02340	3.3
119.03392	2.3
141.09111	2.6
143.03423	1.6
143.10619	1.4
161.04431	2.2
223.13193	1.7
241.14421	6.3
299.87280	1.7
336.32248	1.5
385.18707	12.7
403.19791	25.4
404.20367	2.1
445.20752	6.0
446.21204	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.4
57.03313	1.9
59.01255	100.0
69.64262	3.2
69.64675	7.5
70.18381	1.4
71.01260	19.3
73.02820	11.5
73.66533	1.3
74.02370	1.6
79.71667	1.3
83.01270	3.0
85.02834	7.6
89.02338	5.2
99.00751	2.6
99.04401	3.1
101.02322	18.4
113.02372	6.9
119.03388	3.2
130.08521	1.4
141.09085	2.2
143.03455	2.3
151.07666	1.6
161.04463	6.6
161.09549	1.6
165.09041	2.5
177.12611	1.9
183.46524	1.3
203.05597	1.9
205.12263	10.2
223.13379	5.4
241.14426	7.5
385.18625	9.5
403.19720	28.9
403.24542	2.7
404.20074	4.5
445.20691	15.0
446.21378	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09875	0.6
53.55793	0.6
55.01742	1.4
57.03326	4.4
58.00468	0.9
59.01250	40.5
60.01581	0.7
67.01749	0.9
68.99673	1.6
69.03310	1.0
71.01254	26.6
71.58042	1.3
72.01574	0.6
72.99174	5.1
73.02818	38.2
75.00364	0.9
75.00752	15.0
78.97574	0.6
81.75297	0.6
83.01241	2.9
83.04856	0.9
85.02824	20.5
86.03146	0.7
87.00756	6.8
89.02318	5.7
93.03307	1.2
95.01262	5.4
97.02810	1.6
99.00757	11.4
101.02330	6.7
103.00234	1.4
108.02061	3.8
111.00716	1.5
111.07990	0.9
113.02333	23.8
115.00235	2.2
116.92727	1.9
117.01801	2.4
119.03356	1.2
121.02827	2.0
122.05972	0.7
123.04402	1.3
123.08031	1.0
125.02298	0.8
129.01852	1.5
131.03384	1.0
132.01976	0.9
133.02852	1.1
134.03577	1.7
135.04417	1.5
145.02861	1.0
149.02325	1.4
149.04433	0.8
151.00282	0.7
151.03859	1.0
152.01051	7.4
157.01363	0.7
159.02861	0.8
160.01564	4.1
161.04395	1.2
167.03400	10.0
175.02336	2.5
175.03891	5.3
181.12231	2.5
183.13771	0.8
189.05579	1.2
190.06224	1.2
193.05020	1.2
193.15936	1.0
203.08279	1.3
217.12206	0.8
220.09401	0.7
227.03616	0.8
231.04994	2.5
241.14381	1.8
245.25905	0.7
249.06133	17.1
255.15987	17.0
256.16229	1.2
267.07108	1.4
271.02478	1.4
284.03293	0.9
300.02551	1.8
301.03369	0.8
301.07074	1.6
323.07715	1.4
327.09726	1.0
331.17459	1.3
337.09225	5.9
343.11682	0.9
361.29617	3.6
373.18213	0.9
385.09250	0.7
403.41553	0.7
445.24554	1.5
463.21796	2.6
473.11523	0.8
487.21713	2.2
505.22766	100.0
505.34283	2.9
506.23169	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	505.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03316	6.5
59.01253	73.3
67.01765	1.8
68.99689	4.0
69.03327	2.3
69.63316	6.3
71.01257	17.8
72.04539	0.9
72.99162	1.4
73.02821	2.8
75.00745	2.8
81.03338	1.5
83.01253	2.5
85.02338	1.9
85.02821	16.5
87.00762	7.6
89.02318	5.3
91.03883	1.1
95.01264	4.1
95.73302	1.0
97.02833	1.8
98.19884	2.0
99.00751	3.1
99.04410	3.5
101.02328	4.0
108.04468	1.0
109.02802	1.7
111.00767	3.0
113.02328	19.0
115.00286	1.5
119.04881	1.0
119.08542	2.8
121.02828	1.6
123.04396	1.0
129.01851	1.6
135.02805	1.4
135.08069	1.6
135.11670	1.5
136.01524	1.5
137.09627	14.6
139.00320	1.9
151.00232	1.6
151.03815	1.5
153.00584	4.3
153.09135	2.0
153.12685	1.0
154.00929	1.1
157.01317	1.9
161.09636	1.3
163.07564	3.3
168.02982	5.2
169.03256	2.3
171.81088	1.0
179.10683	9.6
181.08667	10.8
189.04012	1.5
197.11812	7.8
204.34137	1.0
205.12073	1.2
223.09796	2.2
231.05000	1.3
241.10678	3.9
241.14427	1.7
243.03030	1.6
249.06131	2.1
254.13153	1.1
255.02905	2.0
263.07715	13.2
264.08032	1.1
267.07315	1.2
270.09082	1.4
271.02429	4.7
281.08798	8.4
283.06241	1.2
283.09924	1.5
284.03348	1.5
286.04770	1.8
295.09659	1.4
300.02747	8.7
301.03513	3.4
301.06976	1.6
311.10446	2.6
313.10754	2.7
315.14450	8.5
316.14951	1.5
325.10764	2.3
329.11459	1.1
343.11874	1.7
357.15555	1.5
385.18524	2.0
429.17743	6.1
443.19107	2.2
445.16968	2.9
473.16687	10.9
487.18082	1.7
505.10651	3.4
505.19183	100.0
506.19662	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	505.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07666	0.3
55.01784	0.3
57.03329	0.8
59.01250	6.8
69.24809	0.6
69.25212	2.8
69.45630	0.3
71.01254	3.9
73.02837	0.8
81.03340	0.3
83.01268	0.8
83.35249	0.3
85.02842	2.4
89.02332	0.8
93.03354	0.5
95.01275	0.6
99.00748	0.3
101.02341	1.5
108.02055	2.0
109.02844	5.5
111.00766	1.4
113.02335	2.6
119.03331	0.3
121.02850	15.2
122.03203	0.4
123.00764	3.6
124.01570	1.0
125.02332	2.9
133.02875	0.5
135.00781	0.5
135.04445	1.0
137.02344	1.1
139.03937	0.3
147.04427	4.8
149.02354	14.9
150.02733	0.4
157.06485	0.7
161.02391	3.0
161.04474	1.0
164.04723	0.4
173.05995	0.7
175.03992	0.4
175.07587	0.4
185.06038	1.3
199.04167	0.4
199.07611	2.0
201.05573	1.9
203.07057	0.7
209.05981	0.9
209.11732	0.3
211.04060	0.3
212.04724	0.8
215.07100	0.9
225.05513	1.8
225.69786	0.3
227.03506	0.5
227.07181	2.9
228.04254	0.7
229.04982	1.5
243.06557	2.9
253.05077	4.6
254.05435	0.4
256.03760	9.6
257.04126	0.8
271.06131	100.0
272.06470	8.0
286.08481	97.2
287.08810	9.6
301.10812	91.0
302.11157	8.6
401.87415	0.3
445.15018	2.5
474.61337	0.3
505.18262	0.4
505.33884	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	505.1356
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01238	2.6
63.02261	2.4
64.99889	0.7
65.00201	6.8
67.37866	0.6
69.01198	0.6
70.75636	0.5
71.01270	0.9
71.19353	1.0
71.19686	0.6
83.01262	4.4
84.95493	0.5
101.84417	0.5
102.49062	0.5
103.71337	0.5
104.48383	0.6
107.01276	12.4
108.02069	4.4
113.02309	0.9
123.04416	2.5
125.02368	0.9
134.03635	20.6
134.04645	1.1
135.04128	0.6
136.01541	1.6
146.08124	0.7
149.06001	14.1
150.06424	0.9
151.00276	39.6
152.00648	1.7
164.01105	4.7
165.01830	1.7
169.01338	1.6
174.03168	0.9
175.00319	1.3
177.01846	4.3
193.01372	1.0
196.00148	0.9
199.03807	0.8
201.01840	1.4
217.11844	0.7
242.05656	0.7
277.12210	2.0
285.03967	0.8
286.04773	1.9
301.07178	100.0
302.07529	8.9
343.08115	3.1
451.37073	0.7
505.33865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.2
57.03318	12.1
59.01250	100.0
60.06803	3.2
61.16256	2.7
65.03830	6.1
69.38104	24.8
71.01264	59.3
72.23019	2.6
72.91799	2.8
72.99162	5.8
73.02822	14.8
83.01255	7.9
85.02829	34.7
87.00750	24.1
89.02328	8.5
93.03339	5.9
95.01264	6.9
97.02810	6.2
98.20585	6.6
99.00774	5.6
101.02330	24.5
107.01258	4.3
108.02036	5.5
109.02842	90.4
109.03600	4.9
113.02331	34.2
114.02668	3.1
119.03357	5.3
119.04896	7.9
121.02837	8.6
123.04401	2.9
125.02372	4.0
135.02988	3.1
136.01596	4.4
136.07515	3.8
137.02347	18.2
137.62010	3.3
143.03416	5.1
147.04398	17.4
148.01572	18.3
159.02895	4.1
161.04492	7.3
165.01866	27.5
179.03458	6.4
190.02632	3.1
208.03741	6.1
209.04041	3.7
211.07549	8.0
233.79407	3.0
239.07133	11.3
253.08731	8.2
257.08179	96.0
258.08527	8.5
271.09671	4.0
281.08142	8.3
299.09268	42.2
300.10254	3.5
301.07047	4.5
301.10751	5.0
301.20029	5.5
361.29437	7.2
374.22610	5.5
392.23587	4.3
426.84320	3.8
445.25226	3.5
455.80542	3.2
461.14670	14.7
504.32532	16.4
505.26288	31.0
505.33685	16.5
511.25388	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	4.7
56.56517	0.3
57.03329	5.1
58.00470	2.0
59.01255	47.3
60.01596	0.4
64.25087	0.3
65.21621	0.3
68.99706	0.4
69.03323	0.7
69.44774	1.0
69.45193	2.0
71.01257	69.4
71.19403	0.3
72.99186	2.6
73.02823	21.3
75.00751	1.1
81.03336	0.5
83.01262	9.1
84.02046	0.7
85.02828	33.8
85.99992	1.1
87.00763	2.9
87.54539	0.3
89.02321	13.2
93.06976	5.6
95.01263	6.4
97.02841	1.9
99.00764	9.0
101.02328	42.6
111.00775	4.3
111.08070	0.4
113.02338	28.0
119.03394	4.5
121.02813	0.3
125.02329	1.7
129.01837	1.4
131.03429	0.8
139.42068	0.3
141.01851	0.5
143.03395	2.7
159.02905	5.6
161.04475	28.9
165.01878	1.3
174.72566	0.3
176.96065	0.3
179.05571	1.2
197.15411	0.9
205.03485	0.9
211.03860	0.4
213.18533	3.5
223.03870	0.5
224.04720	0.5
239.03513	2.4
240.04248	0.7
267.02960	1.7
268.03787	16.3
269.04077	1.4
271.70999	0.3
282.05283	1.9
283.06128	46.6
284.06479	4.0
336.13995	0.4
343.28635	3.9
375.23914	11.0
404.21295	1.2
419.26587	0.4
445.31729	1.0
469.31314	0.6
475.32660	1.1
487.32758	0.8
505.33847	100.0
506.34198	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	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05508	0.4
57.02113	0.5
57.03320	6.2
57.31525	0.4
59.01253	100.0
60.01604	1.2
60.02921	0.4
61.90779	0.4
69.54724	3.3
71.01258	6.4
73.02827	1.6
82.35621	0.4
83.01263	0.9
85.02823	4.9
86.64334	0.5
87.00763	2.0
89.02344	1.5
95.01284	0.5
99.00758	0.9
99.04417	1.5
101.02328	3.6
111.00764	2.2
113.02335	4.9
121.02873	0.5
121.44093	0.4
125.02338	0.6
128.66980	0.4
161.04535	1.0
201.11179	0.5
206.27110	0.4
281.67896	0.4
299.17447	2.2
330.78580	0.4
351.18185	0.9
401.25473	0.9
423.32672	2.3
503.24945	1.3
503.32211	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	505.099
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.98653	0.2
59.01252	7.4
61.70591	0.3
63.02279	0.6
65.00201	1.4
65.63294	0.2
69.03333	0.4
70.98005	0.3
70.98340	0.4
71.01260	2.9
72.99179	0.5
73.02821	1.0
74.02367	0.2
83.01263	1.0
85.02827	1.3
87.00746	0.6
89.02331	0.9
91.01791	0.5
92.79992	0.2
93.03351	0.3
95.01279	0.4
96.95892	0.2
99.00752	0.9
101.02348	1.1
103.77475	0.2
107.01274	2.5
108.02040	1.9
108.04459	0.5
109.02870	1.4
113.02332	1.3
116.92722	0.7
119.01286	0.4
119.04903	0.4
121.02836	2.1
122.05990	0.4
123.08124	0.3
124.01560	0.3
125.02404	0.4
134.06023	0.3
135.00789	0.8
135.02928	0.5
137.02319	0.4
139.03873	0.4
143.04565	0.3
145.02855	0.6
147.00760	0.2
148.01581	1.8
149.02409	0.4
151.00272	8.7
151.03896	0.3
152.00682	0.3
153.01846	0.3
159.04358	0.5
160.03935	1.4
161.02357	0.2
161.04613	0.5
162.05536	0.3
163.00307	2.5
163.03880	0.3
163.73035	0.2
164.00966	0.9
165.01868	0.3
167.04813	0.3
168.11024	0.3
169.01381	1.0
174.03102	0.2
175.02522	0.4
175.03943	0.4
176.07124	0.3
177.01813	0.4
178.99802	4.5
183.04437	0.6
186.21042	0.2
187.03889	0.6
188.03410	1.2
190.99823	0.6
193.01465	0.4
193.03618	0.3
198.03078	0.4
199.03902	1.5
201.01877	0.3
201.05493	0.4
203.03429	0.4
209.00645	0.3
211.03943	0.9
213.01877	0.3
215.03432	1.0
215.60596	0.2
216.04205	0.5
218.04515	0.8
226.02596	1.5
227.03465	3.9
228.04137	0.4
229.01367	0.5
229.04973	0.6
242.02211	0.4
243.02968	12.7
244.03384	1.1
245.04530	1.0
249.06221	0.4
251.08151	0.2
254.02194	2.8
255.02971	31.0
256.03372	2.0
267.07327	0.6
267.11343	1.3
269.09470	0.5
271.02475	63.5
272.02917	7.0
273.03986	0.6
281.05719	0.8
281.08884	0.3
283.02512	1.1
283.10986	0.6
293.09286	0.2
295.07321	0.4
296.08096	0.3
299.02136	1.4
299.05014	0.3
300.02744	100.0
301.03442	38.3
302.03815	2.7
309.08728	1.1
311.10385	9.3
311.13913	0.5
312.10742	1.0
328.09592	0.4
329.11331	0.4
331.13284	0.2
337.08307	2.7
338.08276	0.3
343.04550	0.5
343.12006	0.8
352.93921	0.2
355.09314	5.2
356.09729	0.4
369.10892	0.3
387.11966	3.9
463.08807	3.7
463.21970	0.3
464.09045	0.3
473.11917	2.8
474.11667	0.2
504.28076	0.3
505.09894	44.9
506.10251	7.0
506.17621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
59.01254	1.6
66.03359	12.1
68.01282	2.6
71.01247	1.5
75.12817	1.2
76.25665	1.2
82.02862	31.0
83.01241	1.2
94.02853	4.8
100.30819	0.9
110.02365	100.0
111.01903	8.9
111.02623	2.4
120.04447	2.8
122.02378	6.7
136.03934	2.5
140.03444	9.9
153.02979	9.2
162.05750	1.0
163.32396	1.2
164.03508	6.4
182.04527	9.0
200.05478	1.4
232.78307	1.1
277.21710	14.1
445.28174	1.2
460.26935	6.0
461.27441	1.3
465.01611	1.1
503.27554	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	503.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
59.01254	100.0
60.01603	2.2
61.98738	0.8
71.01251	4.8
73.02833	2.1
75.96061	0.7
85.02805	4.0
89.02332	2.0
99.00779	1.5
101.02298	3.4
107.43021	0.8
111.00723	0.9
113.02324	3.9
119.03418	0.7
119.24372	0.7
121.02882	1.7
137.02466	0.8
153.37601	0.8
161.04507	1.0
180.50328	0.7
230.14954	0.7
264.18347	0.8
313.07404	0.8
377.90494	0.7
383.24457	0.9
401.25580	1.9
407.54016	0.8
503.25623	0.8
503.32666	3.9
504.23856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86183	2.3
57.03321	6.3
57.14987	2.3
59.01254	100.0
69.03344	3.9
71.01256	23.7
72.99194	5.0
73.02824	6.4
75.00753	3.6
79.92409	3.1
83.01265	7.2
85.02837	14.2
87.00807	3.5
89.02326	3.6
95.01281	3.9
99.00776	6.1
101.02329	11.3
113.02322	20.2
128.76431	2.6
130.33058	2.8
151.03944	3.1
152.39371	2.7
161.04488	4.4
195.13861	2.9
218.65909	2.6
221.11752	3.1
223.13403	5.5
229.18147	2.9
229.67241	3.3
252.04314	5.6
253.14423	3.5
255.02950	3.2
281.04565	12.0
284.03296	6.4
297.50092	2.5
298.09525	7.3
299.05734	3.2
299.09164	4.0
357.13391	5.6
399.23834	7.3
503.21674	13.6
503.26163	3.2
503.32312	7.1
510.72275	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.8
57.03326	12.1
58.00466	3.4
59.01256	58.8
59.60826	0.8
61.03300	0.8
65.45439	0.9
67.01765	1.0
68.99688	1.6
69.03327	2.7
70.28516	2.9
70.28886	1.6
71.01259	100.0
71.04861	1.1
72.01595	1.4
72.99191	4.2
72.99533	0.8
73.02824	28.3
74.59366	0.8
75.00742	3.0
77.85278	0.9
79.05403	2.1
81.03340	1.2
83.01266	23.5
84.02039	1.6
85.02831	58.9
85.06480	1.2
85.99959	2.9
86.03155	1.4
87.00760	6.8
87.04388	2.7
89.01820	0.7
89.02322	16.5
89.96529	1.0
91.05404	3.0
95.01278	12.3
95.04918	2.6
97.02831	5.4
97.06476	41.5
98.19849	1.0
99.00765	13.7
101.02328	53.1
102.02679	1.2
109.06478	14.8
111.00773	6.5
112.01537	2.4
113.02341	60.5
114.02639	1.1
114.50219	0.9
119.03371	4.8
124.01563	2.5
125.02402	4.4
127.07549	12.1
129.01768	1.9
131.03456	1.0
137.91493	1.0
142.02728	1.0
143.03445	6.6
145.08632	1.2
155.14297	1.5
159.02884	8.3
161.04482	31.4
179.05595	1.5
180.87581	0.9
183.13797	2.5
197.15488	2.2
199.16937	5.1
213.18532	3.7
218.73143	0.8
243.19647	11.9
284.03571	1.0
299.05487	2.0
299.10461	1.7
306.86435	0.8
309.20367	1.0
341.27020	1.9
343.93423	0.8
357.22784	9.0
359.28116	3.2
375.23935	5.5
385.21988	1.1
387.23871	21.4
388.24210	2.3
405.24872	3.2
437.29169	1.6
443.30121	2.4
448.37830	1.0
455.30252	1.4
467.30081	2.0
473.31238	1.3
482.53183	1.1
485.31232	3.4
503.25620	2.1
503.32306	57.4
504.32840	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	503.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52357	0.7
59.01259	1.9
59.63123	0.7
66.28940	0.7
68.10291	0.7
69.85890	5.1
77.66796	0.9
78.95776	62.5
86.16712	0.7
96.96849	4.0
97.06448	1.2
98.20504	1.2
106.98835	0.8
114.24640	0.8
119.12152	0.7
139.12752	0.7
144.81647	0.8
152.99493	61.4
153.99791	1.0
160.43082	0.7
168.04213	1.3
171.00563	18.3
197.79169	0.8
224.06857	1.3
227.03192	2.0
231.21130	33.8
232.21533	3.7
242.08023	2.6
245.04295	100.0
246.04637	3.6
275.20145	41.4
276.20407	3.7
277.21735	42.3
278.22067	78.6
279.22363	4.8
503.24127	15.3
503.30075	5.4
504.24207	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	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.6
57.03324	4.9
58.00467	2.0
59.01252	100.0
62.45570	1.8
69.41233	18.7
71.01254	44.9
71.04894	2.7
72.99178	3.7
73.02831	11.5
75.00781	4.0
83.01254	7.0
83.04909	2.7
85.02819	22.2
89.02336	17.6
95.01266	4.9
96.95888	2.2
97.02814	2.2
97.06461	3.6
99.00777	8.9
101.02335	28.3
102.02657	2.3
111.00740	2.8
113.02334	28.0
119.03387	5.6
125.02359	3.5
139.07584	3.2
143.03404	3.5
146.08115	3.4
149.04463	3.0
151.00337	2.2
161.04463	8.3
167.10645	5.9
187.11395	1.9
229.18056	3.1
261.89957	2.1
274.78906	1.9
277.12271	4.1
284.03162	2.1
299.05609	8.3
351.16937	3.7
357.13461	3.6
359.27924	4.3
373.22537	2.9
404.19778	2.2
417.24960	2.7
503.26688	14.3
503.33328	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	503.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37160	1.2
55.27838	1.2
57.03321	12.0
59.01253	100.0
60.01614	1.5
67.01743	2.3
68.99687	1.4
69.03291	2.3
69.70098	1.8
69.70505	8.5
71.00897	1.9
71.01254	26.2
72.99155	5.1
73.02823	11.0
75.00359	1.6
75.00747	22.2
78.95742	3.6
81.03333	1.6
83.01237	1.8
83.04871	3.8
84.24103	1.5
85.02352	1.5
85.02824	21.6
87.00754	6.8
89.02285	5.7
93.03276	2.1
94.90543	1.5
95.01237	5.5
97.06419	1.4
99.00772	12.4
101.02346	6.6
103.46452	1.3
109.02884	1.5
113.02332	30.2
115.00234	1.6
117.01785	2.8
123.07983	3.3
125.02292	1.8
129.01788	1.4
145.05988	1.4
147.11659	3.5
151.03831	1.3
157.01152	1.5
161.04387	2.0
165.12732	3.0
167.03299	1.4
173.13174	5.7
175.02336	3.8
189.05403	3.0
191.14304	2.0
196.92259	1.6
209.11682	4.4
223.13150	1.4
231.04979	3.9
235.13164	2.3
237.14467	1.5
243.02846	1.4
249.03912	2.1
249.06163	28.9
253.14452	12.0
255.02824	5.4
267.07047	4.7
271.02307	5.5
272.02768	2.3
284.03021	4.8
299.05423	4.3
300.02460	5.6
300.05695	1.6
301.02917	3.8
341.12228	1.8
342.10995	1.4
371.22430	1.4
485.19907	2.4
503.20987	94.8
504.21286	12.4
504.27811	2.4
522.90015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1199
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
55.01751	0.8
57.03333	2.6
59.01251	14.8
61.98692	2.2
63.02298	0.6
66.76955	0.4
71.01260	11.2
73.02829	2.9
75.00748	1.8
78.43066	0.5
83.01263	1.6
83.93992	0.5
84.96323	0.5
85.02831	6.4
87.00739	1.3
89.02338	2.6
93.06985	0.8
94.44496	0.5
95.01236	1.5
96.95876	0.6
97.54192	0.4
99.00802	1.2
100.68945	0.5
101.02329	5.5
107.01285	1.0
109.02776	0.5
111.00768	0.7
113.02341	6.9
117.03241	0.5
117.29111	0.4
119.01267	0.9
119.03415	0.7
121.02876	0.7
123.00754	1.9
124.01512	1.7
125.02305	0.9
131.18854	0.5
139.03905	1.0
145.02855	1.0
148.01543	1.4
151.00256	1.9
159.02960	0.6
161.02368	0.5
161.04460	2.0
165.05287	0.6
174.03140	0.8
176.01018	0.6
183.04408	1.4
191.03369	0.6
197.14899	0.5
211.03926	2.2
212.04579	0.7
217.04739	0.6
223.13377	0.8
227.03476	5.1
228.03969	0.7
229.05042	1.2
229.18060	1.9
239.03496	1.5
240.04259	1.2
241.04959	0.8
249.06140	0.8
255.02972	49.7
256.03433	5.1
257.04544	2.4
267.02936	1.1
267.07257	1.4
268.03784	1.7
269.04575	23.0
270.04941	2.0
271.06201	1.5
281.04538	0.8
283.02490	36.6
284.03247	45.2
285.04010	23.5
285.07214	0.8
286.04391	1.7
295.02466	1.5
297.04044	42.6
298.04626	7.2
299.05609	26.4
300.06012	1.9
313.03510	2.2
313.06824	0.5
373.22266	2.6
391.23389	1.5
443.09760	0.8
488.09610	0.7
503.12009	100.0
503.31741	7.1
503.63824	1.3
504.12262	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	503.1197
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01255	2.8
65.00196	6.6
69.39620	0.9
69.40047	0.5
71.01253	1.2
73.02824	0.3
76.21038	0.1
83.01238	0.2
85.02826	0.5
89.00200	1.8
89.02338	0.7
89.03845	2.0
91.01781	1.5
93.03342	1.2
95.01255	0.3
97.02831	6.0
99.00793	0.2
101.02332	0.7
106.64353	0.2
107.01284	0.2
113.02333	0.6
119.03375	0.3
121.02837	2.6
123.04444	0.4
123.29950	0.1
124.01563	0.4
131.04936	0.2
133.02853	10.3
134.03206	0.5
139.03958	0.7
148.01620	0.2
149.99496	2.4
151.00244	0.5
157.02853	0.6
158.03667	0.2
159.00752	0.2
161.04498	0.3
163.00291	0.7
165.01851	39.4
166.02177	1.8
167.04984	0.2
168.05750	0.3
175.03937	0.5
178.02629	0.5
179.04918	0.2
182.90971	0.1
183.02910	0.9
183.04396	0.3
184.05202	0.2
186.03008	0.2
193.74931	0.1
195.04445	0.2
196.05264	0.9
198.03180	0.7
199.03883	0.6
200.04649	0.2
201.01886	0.4
211.03914	1.3
212.04716	2.1
213.05533	1.2
214.02654	5.1
215.03214	0.4
216.04182	0.5
222.03162	0.2
223.03902	0.5
227.03398	0.8
227.07103	0.2
228.04288	1.1
229.05028	8.6
230.05397	0.6
231.06604	1.5
238.02615	0.2
239.03456	1.5
240.04248	5.8
241.04636	0.4
242.02216	1.7
243.02606	0.3
243.06627	1.1
255.02989	4.6
255.06644	2.1
256.03708	2.8
256.06595	0.2
257.04468	1.8
258.04965	0.2
266.02194	0.4
267.02859	0.3
271.06131	7.0
272.06482	0.3
281.04486	0.5
283.02487	2.9
284.03262	5.5
285.03690	0.2
298.04861	1.0
299.05615	100.0
300.05963	9.2
323.05542	0.3
341.06638	0.9
443.09766	0.4
461.10995	0.2
503.11932	4.2
503.18866	0.3
503.32886	0.3
504.12442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1198
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.30087	0.6
59.01255	25.2
69.40386	0.6
70.97688	0.8
70.97987	0.8
71.01244	3.8
72.22784	0.6
73.02801	2.2
74.89036	0.6
75.00737	0.8
83.01228	1.0
85.02818	1.5
87.00742	0.6
87.60326	0.5
89.02318	0.8
89.87306	0.6
91.01762	4.3
94.54785	0.6
94.64269	0.6
96.95873	0.6
101.02316	2.4
104.70625	0.5
108.02034	1.0
113.02319	1.7
119.03314	0.6
131.04584	0.7
135.00768	5.8
148.01572	6.3
153.01842	5.2
158.03593	1.2
161.04416	0.8
163.00281	1.2
167.80347	0.6
183.04446	1.6
184.05110	0.7
185.02365	1.1
186.03247	0.7
187.03867	1.6
188.04713	0.8
199.03928	1.8
200.04744	1.4
211.03957	4.7
212.04732	2.3
213.01744	0.8
214.02672	4.7
215.03441	1.2
227.03427	6.6
228.04137	2.0
237.13092	0.6
238.02667	1.8
239.03482	3.1
240.04221	7.9
255.02977	26.2
256.03677	6.5
266.02167	2.9
267.02774	1.2
283.02451	11.6
284.03259	82.8
285.03555	6.1
298.04684	0.9
299.05606	100.0
300.05963	7.0
438.03714	0.6
443.09909	1.0
452.34821	0.6
461.10876	1.6
503.12012	44.7
503.19659	2.4
504.12344	6.4
516.65149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30658	0.1
59.01256	1.3
62.96265	0.2
67.02742	0.1
69.03345	0.1
70.61785	0.1
71.01260	0.3
71.56714	0.1
71.57146	0.1
78.95777	27.4
83.04900	0.3
92.64392	0.1
96.95913	0.1
96.96856	0.3
101.36702	0.1
104.97369	0.1
122.98428	0.2
126.54021	0.1
127.07497	0.1
134.98404	0.2
152.99493	3.6
157.40494	0.1
168.04230	4.4
169.04637	0.1
171.00557	0.2
194.05890	0.2
205.19537	0.2
224.06882	11.5
225.07219	0.4
231.21143	0.3
233.22749	0.3
242.07945	2.8
243.08365	0.2
245.04291	0.6
254.83455	0.1
259.20697	0.5
275.20087	0.6
277.21719	100.0
278.22061	8.8
298.61398	0.1
321.58026	0.1
338.59113	0.1
413.20825	0.2
502.29401	19.0
503.29883	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	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11597	2.1
61.98706	100.0
69.29336	4.1
69.29734	18.3
72.30471	2.3
78.95766	3.9
79.11977	2.6
110.96545	2.3
176.56885	2.3
245.95485	2.1
277.21719	14.7
305.24915	3.2
445.23596	4.6
506.78772	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78381	0.1
59.01251	1.1
71.01251	0.2
78.33710	0.1
78.95776	8.6
83.04903	0.2
84.18513	0.1
96.96842	0.1
98.20666	0.2
118.15306	0.1
127.07525	0.2
129.95877	0.1
150.97899	0.1
152.98314	0.1
152.99500	2.2
168.04243	1.9
171.00558	0.6
224.06860	1.4
230.44171	0.1
231.21141	1.1
233.22745	0.4
242.07962	3.3
243.08452	0.1
245.04279	3.0
259.20633	0.5
275.20126	1.7
277.21713	100.0
278.22061	9.4
314.88824	0.1
432.91772	0.1
446.00259	0.1
502.29419	5.1
503.23282	0.4
503.30429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82595	0.3
57.52868	0.2
59.01253	100.0
59.86923	0.3
60.01601	1.0
68.65867	0.3
71.01265	1.1
73.02824	0.4
74.65983	0.3
85.02853	0.4
89.02313	0.6
98.20648	0.7
101.02334	0.9
108.69466	0.3
113.02324	0.6
116.92777	0.3
150.82474	0.3
161.04584	0.3
229.84073	0.4
399.23865	0.6
510.91187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3225
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
52.38044	0.3
59.01247	3.6
60.99187	1.5
69.36160	1.0
69.36591	2.2
70.51376	0.3
71.01247	0.4
83.04894	0.7
87.99184	0.3
103.38795	0.3
108.54362	0.3
114.26714	0.3
124.12029	0.3
154.80185	0.3
155.08165	0.3
156.06999	0.3
170.81828	0.3
282.58380	0.3
304.45288	0.4
337.25449	0.5
393.31668	1.3
399.24911	0.6
421.31149	2.1
422.31363	0.4
437.30698	0.5
439.32217	5.0
440.32397	0.8
453.30008	0.7
455.31516	2.3
456.32071	0.5
457.33194	0.5
483.31140	2.6
501.32236	100.0
502.32596	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	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11597	2.1
61.98706	100.0
69.29336	4.1
69.29734	18.3
72.30471	2.3
78.95766	3.9
79.11977	2.6
110.96545	2.3
176.56885	2.3
245.95485	2.1
277.21719	14.7
305.24915	3.2
445.23596	4.6
506.78772	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.7
55.85379	0.8
57.03316	2.4
57.65714	0.8
58.00459	2.3
59.01255	67.0
60.01582	2.3
68.99686	1.0
69.03318	1.2
71.01259	46.4
71.04883	1.0
71.58804	1.1
72.99178	4.7
73.02822	7.8
74.02335	0.9
75.00751	2.3
76.27950	0.8
81.03330	4.1
83.01266	5.8
83.04904	15.3
85.02823	16.6
87.00759	2.7
89.02325	21.2
91.95205	0.7
95.01252	3.8
97.06483	3.5
99.00760	4.0
101.02329	28.3
102.02676	1.0
111.37870	0.9
113.02339	22.2
115.07546	1.0
119.03400	10.1
120.01134	0.9
124.01529	1.0
125.02345	1.8
126.08762	0.8
130.08600	0.9
137.09584	1.2
139.07552	19.1
139.11180	1.7
140.07814	0.8
143.03426	2.0
143.04482	1.3
149.04465	0.9
156.10194	3.3
157.08560	1.0
158.11769	5.5
159.02864	1.7
161.04501	6.4
162.12810	0.9
179.05536	2.4
180.13931	2.0
181.04984	1.6
181.10777	1.5
181.12273	18.8
182.12617	1.6
183.10275	1.1
183.13953	1.0
199.13351	1.9
206.11879	2.4
221.12341	0.9
224.12906	5.8
225.11203	1.2
236.40633	0.8
267.07135	1.1
306.07587	1.2
320.17151	1.8
322.20117	1.6
350.15036	0.8
359.28094	1.2
395.17548	0.8
404.19171	12.8
404.23938	0.9
405.19702	0.9
466.29138	1.0
467.31918	1.6
484.24893	1.8
484.30945	1.5
485.31528	0.9
502.26593	100.0
503.26151	10.8
503.33640	6.7
510.23218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30117	0.3
58.94427	0.3
59.01254	100.0
60.01588	1.6
62.89085	0.3
65.53804	0.3
66.40414	0.3
70.55559	0.6
71.01254	4.1
73.02823	5.7
73.03197	0.5
79.77554	0.3
80.55824	0.3
83.01250	1.9
84.25542	0.3
85.02877	0.7
86.67961	0.3
89.02326	1.3
101.02332	5.4
113.02335	1.9
119.03381	0.8
130.77721	0.3
131.03418	0.6
149.04510	0.7
161.04453	1.6
175.54567	0.3
179.64174	0.3
188.00165	0.3
258.01202	0.3
265.87915	0.3
367.04727	0.3
450.25098	0.3
507.84421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.3
61.48334	0.6
69.92741	3.4
71.01256	2.9
72.18044	0.7
73.02818	3.1
83.01282	1.0
85.02840	0.8
89.02328	1.4
92.83755	0.6
101.02338	2.2
106.93275	0.5
111.00760	0.8
113.02361	2.6
119.03389	0.8
121.02851	0.7
137.65025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.6
71.01286	0.6
71.35853	0.5
89.02346	0.3
101.02316	0.6
105.53702	0.3
119.03345	0.4
141.26180	0.3
215.37878	0.3
364.22226	0.3
437.72278	0.3
501.46133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75270	0.3
59.01254	100.0
59.37715	0.4
60.01591	1.2
66.25316	0.3
67.75297	0.4
71.01266	1.3
85.02817	0.7
97.39693	0.3
98.20540	1.1
101.02357	0.7
113.02367	1.1
116.92744	1.7
142.60739	0.3
173.06332	0.4
199.51073	0.4
235.26445	0.4
390.71786	0.5
399.23920	0.7
440.90350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21136	3.2
57.03327	7.6
58.78042	3.2
59.01255	100.0
59.69233	3.7
63.32872	3.6
69.81287	20.5
71.01257	29.2
72.99180	4.3
73.02813	17.5
83.01266	7.7
84.03053	3.3
85.02821	27.9
89.02333	23.4
96.95905	6.8
98.20450	5.0
99.00761	39.2
101.02320	9.1
108.89706	3.6
111.00744	3.4
113.02326	13.0
114.01857	4.4
121.02973	3.5
123.55939	3.9
125.02335	10.5
128.03468	3.5
129.01797	3.7
130.08643	27.5
131.03391	5.2
131.08977	6.3
149.04504	18.2
151.00237	4.5
161.04462	3.9
163.03854	3.7
167.03450	7.5
191.01796	5.9
191.05513	15.3
205.05006	7.3
217.33115	3.7
227.03716	4.1
233.04486	8.5
243.02911	5.3
244.03827	3.5
255.02916	13.8
259.37402	3.7
271.02539	16.0
284.03128	5.5
300.02637	26.9
339.08801	5.7
377.09833	11.1
385.91168	3.9
457.17041	8.0
474.16565	4.0
474.47720	3.9
487.19443	3.4
500.24936	6.1
501.24783	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	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63863	1.7
58.55441	2.0
59.01256	35.6
62.92864	1.7
69.56545	1.7
69.58541	1.7
70.20425	1.7
70.73817	1.8
71.01259	8.0
71.57736	2.5
72.99221	1.8
73.03869	1.8
85.02840	6.1
87.00766	3.8
89.02344	2.1
95.01347	2.2
96.95912	3.1
97.02857	7.4
97.06464	4.6
101.02329	3.5
109.02863	3.4
113.02353	5.0
119.05066	2.0
121.06500	3.0
122.03624	8.7
123.04426	2.3
128.71223	2.1
137.06013	7.1
139.07576	5.6
149.06027	2.0
163.03839	1.9
177.18565	2.0
187.11200	9.5
190.09908	3.5
199.85660	2.0
205.12329	18.2
226.02139	2.1
235.13408	5.1
255.02856	2.1
267.07285	2.9
279.12390	100.0
280.12778	7.8
303.12396	5.0
321.13525	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	499.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.14595	3.9
78.95804	1.4
84.68673	1.3
90.79154	1.1
137.27855	1.0
160.91310	1.0
165.15729	1.0
180.37289	1.1
232.34673	0.9
328.08545	1.2
365.26953	9.8
366.27463	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	500.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14375	2.8
57.03312	4.5
57.55193	3.2
59.01248	31.7
69.03320	3.5
70.24728	6.4
70.25134	11.2
71.01253	42.2
72.99189	29.0
73.02803	4.9
75.00743	23.6
76.11643	2.8
85.02820	36.4
87.00755	13.5
89.02324	8.6
93.03322	4.1
95.01279	6.5
96.95874	30.0
98.02368	10.7
98.19934	2.9
99.00743	15.4
101.02352	4.2
109.02917	3.8
113.02326	42.1
119.04955	6.0
120.49071	2.7
122.02660	2.8
128.03415	3.6
129.01791	3.7
134.03621	3.1
138.22723	3.3
145.02907	4.0
146.03601	4.4
147.04402	5.7
148.05081	2.8
149.04710	3.3
150.03108	9.4
151.03941	3.5
156.04471	6.7
162.03119	10.7
163.06317	12.0
168.78574	3.4
173.04738	13.8
174.05424	6.4
175.02405	5.2
176.03477	3.5
177.01993	3.9
177.05505	13.2
188.07118	7.6
189.03909	3.2
191.05472	3.2
193.05040	3.4
199.02692	7.2
200.03426	12.4
205.04959	5.1
211.23163	3.6
214.05032	14.0
232.02585	6.2
232.06091	34.6
233.06474	4.2
249.06134	55.6
250.07176	100.0
251.07530	5.2
267.07193	85.9
268.07492	5.1
327.15253	3.3
348.09341	7.7
431.81250	3.2
439.36197	3.0
442.11096	10.1
450.10168	6.8
456.85461	3.2
482.13101	19.1
500.13980	34.0
501.14410	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	500.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	16.7
59.00951	2.8
59.01250	40.9
64.35947	1.8
65.03837	3.2
68.87469	1.8
68.99703	2.5
69.03317	5.8
69.96110	10.0
70.69292	1.8
71.01247	14.1
71.04916	2.3
71.56826	1.5
72.99131	2.0
73.02799	3.1
75.00764	4.4
81.03325	20.0
83.01257	12.9
84.04439	2.9
85.02811	16.4
87.00744	2.9
89.02318	2.2
93.03347	3.7
95.01269	5.0
95.04895	10.3
96.95910	3.7
97.02831	9.0
98.19816	2.0
99.00751	4.6
99.04379	12.4
101.02321	2.7
107.04912	6.5
109.02827	7.3
113.02320	5.2
113.05984	4.6
115.03900	21.8
117.03342	2.5
119.04920	4.5
121.02847	7.0
123.04424	7.9
124.01574	4.6
125.02336	96.5
126.02682	2.9
129.01851	2.5
132.61607	1.6
133.06439	1.8
135.04320	1.9
137.02335	44.5
137.05977	2.6
138.03101	6.2
139.03905	7.7
145.02870	2.7
147.04414	4.2
148.05206	2.8
149.02353	5.6
150.03122	4.4
151.00299	1.9
151.03926	6.6
154.08662	3.2
161.02480	2.3
161.04483	3.2
161.05943	2.3
163.00241	3.6
163.03929	4.0
163.07520	9.9
164.01118	4.5
164.07957	3.1
164.47079	1.9
165.01852	37.6
165.05452	2.5
166.02492	5.5
167.03407	100.0
168.03758	2.6
171.04478	2.5
171.08058	1.8
175.03976	4.0
177.01845	10.5
177.05380	2.2
177.09122	5.4
179.03368	3.6
181.02325	2.1
185.05948	2.3
187.03947	2.7
187.07613	4.0
189.09164	4.5
190.08641	5.2
191.01976	2.6
192.06718	4.5
197.06046	2.4
199.07771	2.4
201.97632	2.6
205.05038	6.6
205.08621	11.8
213.05507	3.1
216.10207	2.0
217.08517	3.6
220.06044	3.1
234.11322	3.6
239.07172	3.9
244.09767	5.7
256.09821	4.7
257.08218	3.4
259.06024	2.4
267.07300	3.6
269.11905	2.5
270.11569	3.0
275.05585	4.1
283.05978	2.5
288.12320	11.1
290.13986	6.4
301.07135	4.0
303.08725	3.5
306.07516	2.7
311.09286	2.5
322.10626	2.2
327.12177	2.5
329.10306	2.0
332.11276	2.6
337.10873	2.9
340.11838	6.4
350.14114	2.6
352.15497	3.7
355.11890	17.4
356.11642	2.4
358.09232	20.2
359.10056	2.5
373.12891	33.0
374.13370	5.1
394.12476	3.5
394.16953	4.0
410.15768	2.9
412.13470	3.3
412.18143	2.9
420.14554	9.2
438.15598	47.3
439.16064	5.5
456.16769	19.5
457.16699	2.8
482.14517	10.3
500.15466	22.0
501.16730	2.5
501.19461	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01604	1.3
60.53469	0.5
68.99694	0.5
70.25811	2.3
70.26106	0.6
71.01262	2.2
73.02824	1.3
75.00750	0.9
78.95792	3.0
81.38039	0.5
83.01254	0.8
85.02825	0.6
89.02342	0.7
99.00778	1.1
101.02341	1.5
113.02378	1.2
119.26350	0.5
124.12856	0.5
147.69693	0.6
161.04459	0.9
172.23692	0.4
205.05136	0.6
218.51723	0.5
288.13135	0.5
457.28043	1.1
499.24619	4.2
499.74924	0.5
500.25558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01762	1.1
57.03322	1.0
58.00467	1.1
59.01254	48.1
60.01579	0.7
69.03318	0.6
71.01256	27.3
72.99186	2.4
73.02824	19.6
73.03246	0.8
78.58479	0.5
83.01267	6.9
85.02827	5.5
85.80721	0.5
87.00756	3.4
89.02324	6.1
95.01270	1.9
97.02816	1.0
98.19782	1.1
99.00769	1.6
101.02325	16.4
112.01572	0.5
113.02335	7.1
114.28571	0.5
119.03381	2.3
124.01552	0.6
125.02337	1.9
131.03380	0.6
143.03395	0.7
161.04475	1.0
199.13303	0.6
223.17018	2.6
237.18610	0.6
273.71902	0.5
277.21716	12.6
278.22125	1.1
295.22781	11.4
296.23322	0.5
439.27026	15.0
440.27472	1.6
457.28082	31.1
458.28430	3.9
481.28171	0.8
499.29147	100.0
500.29510	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03322	8.0
58.00480	1.2
59.01249	78.7
60.01584	0.9
61.01631	0.8
61.98700	1.5
67.35214	0.8
68.99671	1.7
69.03308	1.8
71.01253	29.6
71.04904	0.9
71.58119	1.0
72.01585	1.2
72.99175	7.0
73.02809	3.2
75.00743	22.9
80.70594	0.8
83.01239	4.0
83.04910	4.0
85.02821	31.5
87.00755	9.3
89.02315	9.7
89.16563	0.9
89.55168	0.8
93.03355	0.9
95.01264	7.0
97.02797	1.3
97.06467	1.5
99.00755	12.9
101.02307	4.6
103.00233	2.6
111.00769	2.0
113.02325	45.8
114.02660	1.1
115.00245	2.5
117.01799	3.6
125.02355	1.0
128.03467	1.4
129.01813	3.1
131.03387	1.1
137.09608	1.2
138.71707	0.8
143.04544	0.9
149.04434	1.7
155.08580	1.6
161.13103	1.1
165.01900	1.7
171.11688	3.8
175.02422	4.7
187.11354	1.1
187.14845	4.2
189.12773	2.5
205.07201	2.0
205.12358	1.3
205.15860	0.9
207.05093	1.9
231.05070	2.7
249.06128	40.1
249.14906	7.1
250.06366	1.4
267.07193	100.0
268.07614	5.4
299.05728	2.5
343.13095	1.1
439.19656	1.2
455.19366	1.8
456.77103	0.9
461.10034	0.9
481.21396	1.1
499.21857	96.4
500.22244	13.2
500.28909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76988	2.3
52.53694	2.2
57.03317	7.8
59.00956	2.7
59.01251	53.3
61.98698	17.5
68.99667	2.9
70.02853	4.2
71.01261	31.7
71.35225	5.8
72.99171	6.7
73.02798	2.6
75.00751	44.7
83.01265	6.4
85.02825	41.7
87.00755	8.9
89.02334	13.1
95.01245	4.5
95.04919	2.9
96.04440	2.8
96.95906	4.5
97.06480	3.0
99.00758	9.8
100.03912	6.6
101.02335	6.7
111.00772	3.4
113.02304	16.5
113.03471	9.4
114.01861	15.8
117.01836	3.3
125.02355	3.6
129.01805	4.5
133.02815	3.6
134.03627	3.2
134.05981	3.3
135.02893	77.3
135.04440	3.5
136.03206	3.8
145.02855	6.6
147.02831	3.7
149.04514	2.5
161.02332	4.9
161.13300	2.4
163.03966	3.2
164.59319	2.4
167.03381	4.0
175.02425	2.6
191.01871	6.8
195.13783	6.7
204.13867	13.5
205.12262	7.0
215.07042	2.9
221.07990	2.5
221.11739	3.4
227.03401	3.8
239.12878	5.9
248.12938	24.3
249.06129	10.0
249.11227	2.7
250.14430	2.9
255.02934	9.1
256.03622	2.7
264.12207	5.0
266.13977	100.0
267.07266	21.7
267.14368	8.7
271.02432	4.8
272.02802	2.7
276.12381	4.6
276.15826	2.7
283.02591	6.5
284.03101	9.5
294.13394	19.5
299.02014	6.8
320.15182	5.0
334.16446	5.0
337.17700	85.7
338.17953	7.8
369.10208	3.7
381.16635	38.0
437.19373	4.9
455.19601	3.6
499.18335	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	499.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76988	2.3
52.53694	2.2
57.03317	7.8
59.00956	2.7
59.01251	53.3
61.98698	17.5
68.99667	2.9
70.02853	4.2
71.01261	31.7
71.35225	5.8
72.99171	6.7
73.02798	2.6
75.00751	44.7
83.01265	6.4
85.02825	41.7
87.00755	8.9
89.02334	13.1
95.01245	4.5
95.04919	2.9
96.04440	2.8
96.95906	4.5
97.06480	3.0
99.00758	9.8
100.03912	6.6
101.02335	6.7
111.00772	3.4
113.02304	16.5
113.03471	9.4
114.01861	15.8
117.01836	3.3
125.02355	3.6
129.01805	4.5
133.02815	3.6
134.03627	3.2
134.05981	3.3
135.02893	77.3
135.04440	3.5
136.03206	3.8
145.02855	6.6
147.02831	3.7
149.04514	2.5
161.02332	4.9
161.13300	2.4
163.03966	3.2
164.59319	2.4
167.03381	4.0
175.02425	2.6
191.01871	6.8
195.13783	6.7
204.13867	13.5
205.12262	7.0
215.07042	2.9
221.07990	2.5
221.11739	3.4
227.03401	3.8
239.12878	5.9
248.12938	24.3
249.06129	10.0
249.11227	2.7
250.14430	2.9
255.02934	9.1
256.03622	2.7
264.12207	5.0
266.13977	100.0
267.07266	21.7
267.14368	8.7
271.02432	4.8
272.02802	2.7
276.12381	4.6
276.15826	2.7
283.02591	6.5
284.03101	9.5
294.13394	19.5
299.02014	6.8
320.15182	5.0
334.16446	5.0
337.17700	85.7
338.17953	7.8
369.10208	3.7
381.16635	38.0
437.19373	4.9
455.19601	3.6
499.18335	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.0
57.03330	6.0
58.00488	1.0
59.01254	60.8
60.01603	1.3
61.86919	1.1
63.63368	1.0
67.01789	1.9
68.99680	2.6
69.03330	2.2
70.97964	1.7
70.98312	1.5
71.01256	38.8
72.99187	7.5
73.02837	3.5
75.00745	27.6
81.03322	1.5
83.01263	1.9
83.04921	3.7
85.02828	35.3
87.00758	13.0
89.02322	10.8
91.03867	1.7
95.01284	7.6
99.00762	13.0
99.04404	2.0
101.02332	3.8
103.00246	3.9
111.00777	2.2
112.53207	1.0
113.02336	46.0
115.00293	2.2
117.01812	3.5
119.03387	1.5
122.04720	1.0
128.03442	3.2
129.01854	3.3
131.03419	2.0
143.04518	1.9
145.30664	1.2
161.13280	13.0
168.24034	1.1
175.02414	4.4
187.11230	3.0
198.17432	1.1
205.07092	2.3
205.12244	8.9
223.08351	1.2
227.49928	1.1
231.05035	2.0
235.13362	1.4
238.11751	1.1
249.06148	35.1
249.15022	6.4
249.17165	1.1
254.07814	1.2
255.02991	1.4
267.07230	100.0
268.07550	5.2
269.07767	1.0
272.09122	1.3
283.02521	3.1
284.02966	2.1
292.00610	1.3
389.20673	2.4
389.36343	1.2
437.18378	2.1
455.19199	31.7
456.19400	3.4
499.18021	9.5
499.22061	15.1
500.18073	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	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66007	0.8
52.07771	0.8
55.01762	2.0
57.03330	5.0
58.00460	1.8
59.01251	53.3
68.99695	2.1
69.03323	2.6
70.15432	2.4
70.15853	1.9
71.01253	35.1
72.99187	7.6
73.02831	4.3
75.00744	23.4
75.29557	1.0
81.03344	1.4
83.01279	2.2
83.04897	1.3
85.02821	32.9
87.00751	12.3
89.02319	10.1
95.01263	8.0
97.02871	0.9
98.20587	0.9
99.00754	12.2
99.04387	1.3
101.02316	4.4
103.00266	3.6
109.02859	0.9
111.00765	1.3
112.01591	1.0
113.02335	47.7
115.00253	3.2
117.01833	3.7
123.08089	1.1
129.01799	2.6
131.03365	1.4
133.02829	1.1
139.00253	1.0
149.04478	1.3
157.01357	1.1
159.11700	0.9
161.04462	1.6
161.13258	11.3
163.07527	1.1
175.02348	3.9
187.11201	3.3
205.07057	3.6
205.12260	17.2
207.05125	2.0
223.08147	1.4
231.05051	3.1
249.06123	43.7
249.14853	1.5
250.06435	2.4
267.07202	100.0
268.07556	3.2
324.10513	1.0
378.12897	0.8
437.18250	1.6
455.19171	35.3
456.19443	3.0
499.18329	29.4
500.18661	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03326	0.4
57.30413	0.2
58.00479	0.3
59.01255	17.0
60.01596	0.4
61.98706	0.3
64.30179	0.2
64.33203	0.2
69.03339	0.3
71.01257	11.3
71.58881	0.3
72.01608	0.2
72.99190	0.5
73.02819	6.0
75.00741	1.1
83.01246	1.2
85.02825	5.0
87.00761	0.7
88.28967	0.2
89.02329	3.5
91.03985	0.2
95.01258	0.9
95.04892	0.2
97.02843	0.4
99.00761	6.7
101.02331	5.5
111.00776	0.4
111.45173	0.2
113.02335	7.0
114.02669	0.2
119.03424	0.2
121.02874	0.8
121.06521	0.2
122.03637	0.4
125.02325	1.0
129.01814	0.2
131.03423	1.0
133.02858	0.2
135.02927	0.2
137.02316	0.2
143.03421	0.9
145.02892	0.3
147.04437	1.1
148.05208	100.0
148.95799	0.2
149.05562	4.5
159.02858	0.4
160.98848	0.2
161.02420	0.3
161.04482	4.1
162.95258	0.4
163.07561	95.2
164.07890	4.9
185.04503	0.2
191.05511	0.8
193.19087	0.2
196.93771	0.2
203.05556	0.3
204.06093	0.2
205.03424	0.2
249.06120	0.5
255.02963	0.3
255.77116	0.2
256.03632	0.2
267.07288	1.4
275.07651	0.4
283.02371	0.6
284.03082	0.3
293.08557	0.2
325.12967	0.7
359.73828	0.2
367.13943	0.8
419.13461	0.2
439.15625	0.5
453.13663	0.2
457.17160	15.7
458.17548	1.8
499.18118	13.2
500.18301	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	497.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73879	0.3
57.03328	1.1
58.00466	0.3
58.21118	0.2
59.01254	100.0
60.01600	0.8
61.98719	0.4
69.03326	0.6
71.01257	11.1
72.99192	1.2
73.02822	3.3
75.00743	2.0
78.95809	1.0
79.82069	0.3
83.01271	1.2
85.02827	3.9
87.00774	1.1
89.02321	6.6
95.01279	1.2
98.19662	0.5
98.77652	0.3
99.00784	1.2
99.04420	0.3
99.08054	0.7
101.02332	5.4
101.05968	5.1
110.98436	0.9
113.02338	6.5
114.02659	0.4
116.92757	0.4
117.01863	0.5
117.03381	0.5
119.03399	2.2
119.04922	0.5
119.24610	0.3
125.02348	0.4
125.09634	0.3
127.11217	0.4
131.03424	0.5
131.04526	0.3
139.11206	1.2
143.03403	0.8
145.02869	2.1
149.04559	0.3
155.10780	0.4
159.11716	1.5
161.04506	1.3
163.03947	0.9
167.01123	0.5
171.10193	4.4
179.05583	1.0
183.13861	0.5
185.02148	1.1
191.05412	0.3
198.87238	0.3
202.97672	0.3
203.10803	0.6
211.13359	3.4
229.14409	2.2
249.06160	1.9
261.11102	1.0
267.07239	3.8
283.02252	0.4
293.21368	0.4
296.11407	0.6
297.12082	0.6
329.23322	11.7
330.23734	1.2
351.12994	7.0
351.17053	0.6
352.13297	0.7
395.09933	0.5
421.19910	1.1
425.03214	0.3
434.59973	0.3
437.25659	1.1
455.26508	0.7
465.18671	0.8
496.11823	0.4
497.26309	6.3
498.25815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03333	0.8
58.00466	0.5
59.01255	100.0
60.01585	1.5
61.98710	0.8
69.03333	0.4
69.47829	2.8
71.01254	14.0
72.99170	1.6
73.02823	5.9
75.00728	0.7
81.13747	0.3
83.01260	1.8
85.02829	3.3
87.00774	1.1
87.04417	0.8
89.02321	7.6
95.01295	1.2
96.95908	1.1
97.02814	0.3
98.20538	0.6
99.00787	1.6
101.02325	8.1
101.05961	3.7
101.46487	0.3
113.02336	8.2
117.01860	0.3
117.03442	0.4
117.74936	0.3
119.03406	3.5
119.04928	0.5
125.02431	0.4
129.01924	0.3
131.03448	0.8
131.04520	0.8
143.03448	0.8
145.02905	0.9
149.04521	1.0
150.54883	0.3
161.04504	1.9
163.03969	0.9
179.05528	1.6
199.85696	0.3
218.50848	0.3
249.06108	0.6
263.32468	0.3
267.07373	0.4
279.75726	0.3
283.02576	0.5
299.02078	0.4
351.12961	4.7
352.13464	0.3
363.22269	0.4
419.24420	0.4
437.25409	2.8
453.14325	0.3
455.26614	2.3
472.62881	0.4
497.16107	0.7
498.17175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01755	1.1
58.00466	1.7
59.01253	100.0
61.98708	1.2
69.03318	1.3
71.01255	64.2
71.04893	1.3
72.99179	2.6
73.02820	78.1
74.03164	1.7
75.00729	1.3
83.01256	26.1
85.02826	8.6
87.00752	2.4
89.02324	11.7
94.44238	0.9
95.01253	2.2
96.36311	1.0
96.36913	1.1
97.02827	1.5
98.20598	3.2
99.00752	3.0
101.02326	66.9
102.02736	1.4
104.41790	1.1
113.02324	14.6
119.03391	4.1
125.02339	1.9
131.03383	4.2
136.34219	1.0
143.03404	3.2
149.04466	4.8
150.40842	1.0
152.95377	1.1
155.03397	2.6
161.04462	9.7
183.13783	1.0
203.05641	1.4
206.46594	1.2
211.13341	13.1
212.13628	1.4
275.20157	44.6
276.20508	4.3
277.21832	1.4
285.17010	1.3
293.21161	7.1
328.62375	1.1
385.13687	1.1
405.25729	1.2
437.25497	2.8
455.26468	7.4
497.27597	51.2
497.35233	2.5
498.28201	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	497.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48086	0.2
50.71621	0.2
55.01755	0.4
57.03304	0.5
59.01255	12.0
61.98686	0.2
71.01257	9.0
72.01594	0.2
72.99170	0.4
73.02821	3.9
74.03155	0.2
75.00742	0.4
83.01272	1.2
85.02827	3.4
87.00752	0.4
87.54245	0.2
89.02316	1.7
95.01271	0.5
96.50417	0.2
96.90198	0.2
97.02848	0.4
98.19753	0.3
99.00765	3.6
101.02326	4.3
113.02333	4.7
114.02679	0.2
121.02757	0.2
125.02339	0.8
128.03285	0.2
129.01784	0.2
131.03413	0.6
133.06470	0.6
137.02318	0.2
143.03387	0.6
145.02832	0.2
146.03606	0.3
159.02875	0.4
160.05205	0.3
160.95528	0.3
161.05992	100.0
162.05089	0.2
162.06329	5.1
203.05611	1.3
230.08282	0.2
239.03461	0.3
249.06018	0.4
267.07306	1.0
275.07886	0.2
282.05453	1.2
283.02380	0.4
297.07727	1.2
298.08078	0.2
319.99075	0.2
323.11417	0.8
365.12415	1.7
437.14584	0.4
455.15607	11.5
456.15799	1.2
497.16669	10.1
498.16910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	60.6
67.67361	3.9
71.01260	73.2
71.05628	6.6
71.05965	8.2
73.02830	17.3
75.00748	5.6
75.31934	3.8
83.01287	9.6
83.62239	4.3
85.02831	27.2
87.00782	5.8
89.02317	46.2
96.00793	4.4
96.95901	12.6
98.02406	4.5
101.02337	36.0
111.00770	5.5
113.02344	16.4
125.02299	9.7
131.03371	23.6
149.04466	11.3
161.04462	10.9
191.05606	5.1
247.06036	4.5
250.77225	4.3
293.08984	6.8
305.16013	30.0
394.20093	4.1
437.20212	100.0
438.20523	12.2
478.75040	5.4
497.20773	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	497.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65912	1.3
67.11188	1.3
67.31003	1.2
70.06020	6.2
71.01250	1.3
71.04894	9.5
71.89079	1.1
83.01276	1.8
95.04936	2.1
97.02827	11.0
98.20539	2.1
125.02367	6.1
139.03912	100.0
140.04260	3.6
163.03934	2.3
169.01321	13.5
207.03030	1.4
209.25139	1.4
276.45963	1.3
345.08276	38.6
346.08542	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	497.1454
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
57.03324	2.9
59.01256	9.4
61.98693	2.5
63.02253	2.0
65.00200	10.8
71.01256	8.7
71.57903	0.9
72.99159	1.6
73.02826	0.8
74.02312	0.6
75.00743	3.2
81.03336	1.0
83.01254	6.3
85.02832	5.7
87.00744	2.7
89.02316	2.4
95.01255	2.2
96.95908	3.6
99.00764	2.8
99.05501	0.9
101.02317	1.2
107.01274	11.1
109.02826	1.9
112.98708	1.0
113.02349	8.3
115.00238	0.7
117.03352	1.2
121.02847	1.2
123.00800	1.4
124.01550	4.3
125.02344	18.9
135.04405	0.9
137.02307	1.4
138.03127	1.5
141.06604	0.9
142.06847	0.7
143.04575	1.2
145.02858	2.6
149.02347	1.7
150.03160	1.0
151.00279	23.8
152.00986	2.2
153.01753	0.6
153.05453	1.0
159.03137	0.6
159.04372	1.3
159.11710	2.3
160.01610	0.9
161.02362	3.4
163.03835	0.6
164.04674	1.6
165.01756	0.8
165.05527	1.1
169.01353	1.6
173.00899	0.8
174.01678	3.8
174.03038	1.0
175.02419	1.1
175.03818	1.3
177.01866	3.9
179.03352	1.6
179.07034	1.1
185.05795	0.8
186.21156	0.6
187.03973	0.8
188.04709	1.0
189.01888	1.9
190.02626	2.7
191.03371	1.0
194.05728	0.6
198.03152	0.6
199.03911	2.1
201.01830	0.9
201.05559	0.7
202.02602	0.9
203.03391	4.4
203.10684	1.8
205.01370	1.3
205.05051	1.1
207.10245	0.7
209.11728	1.0
211.13315	0.8
215.03433	1.5
216.04210	3.4
217.01334	1.1
217.04881	1.2
222.01656	2.1
225.05611	1.1
227.03464	2.4
228.04303	0.8
229.05014	1.9
230.02202	2.1
231.03018	3.2
241.05031	0.9
243.02951	2.1
244.03694	1.7
245.04512	4.3
246.05072	0.9
247.09796	0.8
247.23982	0.8
249.06058	3.6
253.04938	1.6
254.05806	0.9
255.02876	2.3
255.06613	1.1
257.04428	2.1
257.08133	0.7
260.06552	0.8
267.07214	21.4
268.07410	1.6
269.04492	0.8
270.05142	0.8
271.02454	2.5
279.06467	0.7
281.04547	0.7
282.05206	0.6
283.02438	1.8
283.05893	1.0
284.03226	1.3
285.04126	1.8
285.07776	1.9
293.04556	1.1
294.05176	0.8
295.06165	1.1
299.01974	1.2
300.09897	0.9
305.08212	0.8
309.07468	1.0
311.05667	0.8
313.07098	0.8
333.07758	1.0
349.07294	1.0
351.08777	0.9
361.07098	1.0
365.09967	0.7
377.06540	1.8
391.07904	0.8
392.08685	1.0
393.09909	1.2
405.06052	2.1
407.11517	0.9
408.12204	0.9
409.09320	1.7
420.08463	1.0
423.10672	2.2
424.69135	0.8
435.10855	5.7
436.11325	0.8
437.08734	0.8
451.10287	1.6
452.11050	2.2
465.11646	1.3
467.13873	7.5
468.13272	0.7
482.12082	3.6
497.14514	100.0
498.14890	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	495.2965
Annotation	Lesterone
Peak:m/z	Relative Intensity
57.03321	3.4
59.01254	15.1
65.03823	2.1
69.03334	2.4
69.23536	11.1
70.54862	0.9
71.01256	3.2
71.04874	2.2
77.14764	1.1
78.88805	1.1
78.95760	1.4
81.03329	2.2
83.04901	14.5
85.06463	3.8
89.02314	1.2
91.03892	2.0
91.05416	1.6
93.03345	1.8
95.04894	1.6
97.06477	6.7
98.19849	2.0
101.02349	1.2
105.07007	1.3
106.04122	1.2
107.04926	2.0
109.06501	3.4
111.08043	7.6
123.08041	3.9
125.09615	21.1
133.06528	1.4
135.08072	2.2
137.09619	2.4
151.11162	1.9
159.11652	1.1
163.11160	2.6
171.10185	32.5
172.10577	2.1
177.09280	1.1
181.12395	1.0
183.13820	5.8
185.11768	3.4
187.14900	3.8
189.16461	3.5
201.12662	1.4
203.14259	1.3
205.15938	10.7
207.13821	2.2
209.11765	6.5
211.13371	22.3
211.15373	1.7
212.13782	1.8
213.14810	1.8
215.14362	8.2
219.10149	1.6
221.15413	5.4
231.13911	7.0
233.15442	100.0
234.15816	8.6
235.13274	1.3
235.16911	1.4
237.15039	1.6
239.16347	1.2
249.14973	32.4
250.15251	3.3
251.16458	6.3
252.13712	1.4
257.17529	3.1
313.25528	1.9
323.23901	1.8
331.26373	5.0
341.24838	6.5
349.27661	1.3
357.24551	2.3
359.25781	3.7
367.22815	3.9
375.25302	5.2
376.25922	1.2
377.27090	4.6
385.23859	29.3
386.24252	3.9
393.26648	4.5
403.24924	88.9
404.25317	11.2
421.25980	72.6
422.26337	11.8
477.28604	80.6
478.28989	13.8
495.29700	90.1
496.30051	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	496.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03306	1.8
58.00464	2.4
59.01253	100.0
60.01580	1.0
61.98701	26.6
62.25328	0.8
69.03318	1.3
71.01255	53.6
71.58846	1.3
72.01597	1.6
72.99171	2.4
73.02821	33.8
75.00740	1.2
83.01275	4.7
85.02824	11.6
87.00751	2.9
89.02319	40.4
95.01251	3.9
96.95858	1.4
97.02816	1.6
99.00761	72.5
100.01104	1.1
101.02326	30.1
113.02331	29.3
114.02633	1.3
119.03403	11.6
125.02373	5.8
130.06532	0.9
131.03398	10.2
142.06535	4.5
143.03369	3.0
149.04462	17.0
155.03415	2.2
160.07576	6.8
161.04486	7.2
179.05521	1.9
191.05553	20.3
203.05534	6.3
227.03447	2.3
228.03815	1.6
229.04123	0.9
233.06590	3.2
255.03072	3.7
256.03354	3.8
257.03705	2.2
258.04486	0.7
283.02435	0.9
284.03265	6.0
285.03580	5.1
286.04053	3.0
287.04184	1.8
304.11890	27.4
305.12225	2.4
322.12952	31.1
323.13220	1.9
364.14026	18.9
365.14368	2.5
370.10519	1.3
370.60526	1.8
378.15479	1.6
385.97479	0.8
393.72256	1.0
431.72815	1.0
436.15964	3.9
454.17212	36.7
455.17288	5.5
496.18210	40.8
497.18610	6.5
498.00943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09334	0.4
57.03330	0.5
59.01251	100.0
60.01585	0.9
61.98717	0.8
65.02114	0.4
71.01256	3.7
73.02820	1.0
75.00739	0.5
78.95779	0.7
83.01237	0.6
85.02848	2.2
87.00757	0.4
87.04395	26.1
88.04717	0.5
89.02338	1.0
97.06479	0.5
98.20663	0.8
99.00762	0.6
101.02325	3.1
113.02334	1.5
119.03402	0.4
133.95117	0.3
160.03935	0.8
161.04538	1.0
161.11754	0.8
171.10220	1.6
171.18687	0.4
211.13315	1.0
229.14436	1.2
229.35692	0.4
243.72092	0.4
272.01486	0.3
290.34991	0.4
296.82782	0.5
304.24582	0.4
305.16138	1.3
327.21756	3.6
374.21405	0.4
393.21353	2.5
405.88870	0.5
429.91983	0.4
435.23047	1.2
453.23251	0.5
477.70758	0.4
495.23959	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	495.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06090	0.6
57.03324	2.0
59.01253	85.3
59.05193	0.6
61.98705	1.5
70.70949	1.9
71.01254	5.3
71.12930	0.6
73.02833	2.3
75.00748	0.8
78.95782	2.2
83.01238	0.7
85.02825	3.4
85.06479	0.9
87.00748	1.4
87.04392	100.0
88.04726	2.3
89.02328	1.9
95.01268	0.7
101.02341	3.5
103.03893	12.0
107.88499	0.6
110.98427	1.7
113.02348	3.0
119.15436	0.7
129.01907	0.7
134.87299	0.6
161.04428	1.9
167.01018	1.4
171.10147	2.9
179.10641	0.6
183.13763	2.0
197.11693	2.4
211.13361	1.1
215.12840	9.4
227.03294	0.7
237.85016	0.7
253.09227	1.5
255.02939	1.1
262.11267	0.7
262.15921	0.8
284.03201	1.1
305.15775	1.0
327.21783	6.4
393.20966	1.6
435.22183	0.8
453.22876	1.1
495.23947	5.6
496.20407	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
58.00495	1.2
59.01253	39.6
64.64973	1.0
69.03314	1.3
70.59013	2.5
71.01259	19.0
71.04905	1.1
72.99163	2.2
73.02818	6.2
75.00755	2.0
83.01273	3.6
83.04903	1.2
85.02820	8.7
87.00777	2.6
89.02322	8.9
95.01244	1.1
95.04913	1.0
97.02796	0.9
99.00758	3.9
101.02325	15.5
102.02671	1.0
103.03884	1.1
113.02341	6.0
115.03864	1.1
119.03370	2.0
125.02375	1.5
125.09586	2.3
127.11168	1.9
131.86330	0.9
141.12703	1.0
145.02861	3.1
146.57030	0.9
153.12782	2.0
161.04501	7.0
163.06036	1.0
165.12743	1.8
171.10191	7.9
179.10719	2.8
181.12242	1.0
183.13853	6.0
185.11838	1.0
197.11777	25.3
198.12135	1.2
199.09744	2.7
199.13284	3.4
213.11288	2.8
215.12842	100.0
216.13153	4.8
227.03534	1.2
253.09271	18.6
255.03029	3.0
256.03314	1.8
284.03247	3.9
285.03842	2.1
289.16583	7.3
327.21967	1.4
373.92752	1.0
435.22345	11.1
451.22211	2.9
477.19714	1.7
494.63333	2.0
495.20560	10.8
496.21735	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26876	0.6
57.03315	1.5
59.01254	100.0
60.01614	0.7
61.98705	1.5
69.54295	4.7
71.01257	5.5
72.10400	0.5
72.99196	0.8
73.02828	2.9
75.00751	1.4
83.01272	0.7
85.02827	2.3
87.00748	0.6
87.04391	50.9
88.04742	0.9
89.02322	1.6
95.01302	0.7
98.19794	1.2
99.00762	1.6
101.02338	3.0
103.03901	9.3
106.68156	0.6
108.14960	0.6
113.02348	3.6
115.04017	0.6
119.04933	0.8
125.02311	0.8
129.01831	0.6
136.41197	0.6
152.08333	1.5
159.97523	0.6
171.10187	0.6
227.03647	0.7
255.03006	0.8
267.07468	0.7
284.03265	1.2
285.03391	0.7
296.11707	0.7
305.16364	0.9
356.70901	0.6
393.21341	0.9
420.19388	1.2
435.23346	1.1
453.24612	0.6
495.24771	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	495.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62658	0.6
54.96137	0.7
57.03318	0.8
59.00991	0.9
59.01258	12.2
61.98710	1.0
63.02262	1.3
64.99889	1.1
65.00204	12.6
69.26155	8.0
71.01243	1.4
73.83152	0.6
78.82925	0.7
80.02545	1.6
83.01255	5.6
95.01281	1.5
107.01276	15.3
108.02090	8.3
109.02837	1.3
111.00707	0.9
113.02287	0.6
121.02861	1.1
123.00805	1.1
124.01533	1.3
125.02343	7.7
133.02882	3.5
133.35487	0.6
134.03656	9.5
135.04424	37.2
136.01544	6.5
136.04736	2.0
137.02406	0.7
143.04977	1.3
146.03667	0.7
147.04424	3.0
148.01472	0.6
149.02348	1.4
151.00281	44.5
152.00668	1.4
155.04947	4.8
157.02885	0.9
158.03616	1.5
160.01567	1.9
161.02342	4.5
161.06007	1.3
163.00372	0.7
164.01065	10.4
164.04694	2.0
165.01788	2.2
169.01340	2.4
171.04448	3.0
171.10107	1.4
173.02373	1.9
173.05983	1.1
174.03123	7.0
175.03941	6.3
176.04694	2.1
177.01878	3.4
179.03435	3.6
179.07031	3.2
183.13849	1.7
185.06032	1.7
187.04013	3.1
188.04491	0.9
189.05530	2.2
191.07091	1.8
194.05704	3.2
195.04422	1.0
196.00073	12.2
196.05302	0.7
197.06052	1.2
198.03162	2.6
199.03940	22.9
200.04346	1.3
201.01884	6.4
207.06575	0.7
209.08188	5.4
209.11754	3.4
211.03947	1.6
211.13359	6.3
213.05556	3.8
213.07301	0.8
215.03461	6.3
216.04124	1.2
217.05020	3.7
229.04950	1.0
239.03468	1.6
240.04128	0.9
241.05017	8.6
242.05739	3.8
243.02925	1.4
257.04538	10.6
258.05225	3.5
285.04053	100.0
286.04678	23.7
287.05432	4.0
299.05646	0.9
301.07181	4.0
327.21713	1.6
343.11972	0.9
369.09744	1.8
371.40482	0.8
407.28400	0.7
465.11819	7.5
466.12204	1.3
477.12042	5.7
478.12650	0.9
495.12973	17.4
495.23911	1.5
496.13251	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	495.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.0
63.02260	2.6
65.00200	11.3
66.84605	1.2
71.01239	2.4
77.25845	1.2
78.95792	1.5
80.02528	1.7
80.31837	1.1
82.33849	1.2
83.01273	5.0
85.02802	2.3
85.21388	1.2
85.84921	1.2
95.01266	1.4
100.26494	1.3
107.01272	16.9
108.02070	8.5
119.04927	1.6
121.02927	1.3
123.00764	1.4
125.02380	7.2
133.02834	3.0
134.03656	10.8
135.04424	40.2
136.01564	5.6
136.04732	1.4
145.02885	3.4
147.04417	4.3
147.68742	1.3
151.00284	47.0
151.03725	1.5
155.04976	2.7
159.04431	1.6
160.01578	1.8
161.02338	5.3
161.76520	1.5
164.01073	11.9
164.04727	2.9
165.01889	2.7
169.01350	2.6
171.04451	3.8
171.10167	2.4
173.05965	2.0
174.03180	6.5
175.03973	6.7
176.04712	3.6
177.01813	3.1
179.03375	3.5
179.07051	2.3
180.58147	1.3
185.06004	3.5
187.03926	3.4
189.05516	3.7
194.05797	3.5
195.04509	1.3
196.00066	14.9
197.05876	1.5
198.03143	3.3
199.03943	29.4
200.04568	1.9
201.01830	7.7
204.80710	1.4
206.27414	1.3
209.08136	6.7
211.03867	1.3
213.05501	2.9
215.03436	6.8
217.05023	4.0
229.04910	1.7
229.69684	1.8
239.03441	2.4
241.05116	7.5
242.05821	3.5
244.18634	1.3
255.02968	2.0
257.04593	12.3
258.05228	2.8
285.04041	100.0
286.04727	23.9
287.05515	5.6
301.03931	1.5
301.07272	4.5
327.21893	2.9
372.56842	1.6
382.18539	1.3
465.11810	10.7
466.12051	2.2
477.11667	8.2
495.12817	19.4
495.23672	1.9
496.13226	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	495.1145
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
50.10678	0.9
57.03092	1.0
57.03328	13.5
59.01244	3.7
64.91058	1.0
65.00191	3.2
69.55971	1.2
69.56294	7.7
70.47353	0.9
71.01247	2.2
83.01260	5.0
85.02890	1.1
89.02304	1.0
95.01256	3.8
107.01271	4.5
109.02802	2.4
111.00781	2.6
113.02329	1.3
123.00755	3.2
124.01556	11.1
125.02338	100.0
126.02689	2.5
137.02341	5.1
138.03093	1.8
139.00304	1.9
151.00275	13.2
151.03900	1.3
152.01060	15.9
153.01840	6.3
153.05507	1.0
164.01068	2.6
166.02576	2.5
169.01367	1.2
175.03947	1.6
177.01830	1.2
178.99788	10.1
179.03450	2.7
181.05017	1.6
187.03873	1.3
190.02634	1.2
203.03418	1.4
204.04247	2.8
205.04916	1.4
207.02858	1.4
208.03723	2.8
215.12798	1.4
217.05252	1.3
223.06055	1.1
229.05057	1.4
230.05714	1.3
232.03670	3.5
233.03981	0.9
245.04469	1.5
246.05293	2.1
247.06120	4.2
271.02579	1.5
273.03842	1.0
274.04846	3.6
289.07181	9.0
290.07382	2.0
300.02597	4.5
304.05875	2.2
305.06689	9.4
306.07059	1.2
314.04214	1.2
315.05176	15.3
331.12863	1.2
333.06100	9.8
451.12491	2.6
467.11945	29.4
468.12109	2.5
477.10458	6.8
495.11462	60.6
496.11496	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	493.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20766	0.3
51.67132	0.3
55.19204	0.3
57.03330	1.3
59.01251	100.0
60.01589	2.0
61.01688	0.3
68.99710	0.6
69.03339	0.5
69.30943	2.7
69.31358	0.5
71.01252	6.0
72.99178	1.5
73.02840	1.4
75.00743	3.6
83.01279	1.1
85.02825	4.6
87.00739	2.1
89.02324	1.1
95.00716	0.3
95.01233	1.5
99.00760	3.3
101.02322	1.8
103.00250	0.4
111.00797	0.7
113.02324	5.0
115.00259	0.6
117.01864	0.7
117.03373	0.4
121.33031	0.4
125.02365	0.4
126.13874	0.3
129.01851	0.5
137.02321	0.7
139.11192	6.1
140.11650	0.3
145.02946	0.7
145.81566	0.3
151.00281	0.4
157.01320	0.4
161.04468	0.6
163.11174	0.4
175.02435	0.8
177.60715	0.3
181.12244	3.1
183.10184	5.5
192.36044	0.3
199.13309	0.4
200.48770	0.3
207.10028	0.3
225.11266	2.1
229.18036	0.5
231.04912	0.3
243.12354	1.8
249.06140	4.6
250.06499	0.4
267.07144	0.4
285.04099	0.3
315.01489	0.6
317.16110	2.5
330.04001	0.5
345.22821	0.6
373.22330	1.3
391.23456	2.2
392.23569	0.4
431.19339	0.9
433.17368	2.5
433.24142	2.3
434.17313	0.6
434.24734	0.5
472.82794	0.3
475.17911	2.0
493.19260	42.4
494.19629	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46398	0.6
55.01759	3.4
57.03332	4.6
58.00467	1.5
58.46344	0.7
59.01252	100.0
60.01584	0.8
61.98711	1.6
69.03319	1.4
70.35197	0.9
71.01254	73.3
71.45657	1.1
72.01615	0.9
72.02813	0.7
72.99183	2.4
73.02820	22.0
75.00763	3.1
75.92239	0.8
78.29855	0.8
80.45628	0.7
81.03326	0.8
82.36166	0.7
83.01260	12.4
83.04915	0.9
85.02823	34.6
87.00758	5.6
87.04405	3.0
88.50587	0.7
89.02323	14.1
89.02889	0.7
95.01252	6.2
97.02856	3.3
99.00748	10.0
101.02323	58.1
111.00797	1.5
113.02329	33.5
119.03382	5.4
123.00881	0.8
125.01592	0.8
125.02332	4.6
127.29880	0.8
129.01874	0.9
131.03391	1.8
135.02925	1.3
143.03412	4.4
155.03403	1.1
159.02885	6.8
161.04466	24.1
162.04779	1.0
165.04065	0.9
165.12756	0.9
183.13889	3.1
187.11217	1.4
206.52156	0.7
221.06776	1.0
227.01588	0.7
227.03423	3.9
227.12737	1.5
255.02950	8.8
264.94443	0.7
271.15668	0.8
284.03271	9.1
285.04120	2.6
289.16577	16.0
289.19705	1.2
290.16956	0.8
331.08347	2.2
331.17728	3.1
345.22507	0.9
365.75089	0.7
369.10144	6.3
375.20737	1.1
430.17902	0.8
433.20721	0.8
433.28622	1.1
451.21826	47.7
452.22266	5.5
493.22955	17.5
493.29584	2.8
494.23676	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	493.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80143	0.8
51.90555	0.7
52.70042	0.7
55.01762	1.5
55.58888	0.7
57.03317	2.7
58.00452	0.7
59.01253	67.0
60.01565	1.5
61.98693	4.4
67.01764	0.9
69.03329	1.8
69.32680	8.1
71.01257	27.3
72.99194	5.8
73.02814	2.6
75.00755	16.8
78.21807	0.8
81.03343	1.5
83.01244	2.3
83.04878	1.1
85.02822	22.3
87.00396	0.7
87.00766	7.4
89.02312	6.6
93.03332	1.5
95.01262	4.5
95.04895	1.0
97.02835	1.3
99.00760	11.3
101.02339	5.2
103.00234	1.5
112.01639	0.8
113.02336	30.8
114.02734	0.8
115.00258	1.8
117.01808	2.1
117.03329	1.6
119.03370	1.4
119.04924	1.8
123.04407	1.1
125.02320	2.4
129.01782	1.5
129.37335	0.7
131.03391	1.6
139.11171	4.5
145.02827	2.9
147.02808	0.9
157.01305	1.6
163.11212	2.1
167.03384	2.0
175.02448	1.9
178.99585	0.8
181.12276	10.4
183.10199	7.0
194.82040	0.8
199.13313	1.3
203.11066	0.9
207.04956	1.5
207.10023	0.8
209.04462	3.2
225.11281	1.6
227.03435	1.9
243.03008	0.9
243.12286	3.2
249.06146	12.7
255.02885	3.1
260.99362	0.9
267.07193	47.9
268.07599	1.9
269.04526	2.3
270.04797	2.1
271.05246	2.2
279.83783	0.7
283.02545	0.8
284.03204	1.9
288.09579	0.8
317.16003	2.9
331.04398	0.9
345.22781	1.9
369.09915	1.0
373.09235	5.7
374.09616	0.9
390.09451	1.8
391.22949	1.2
403.10239	1.3
431.19354	1.4
433.17117	2.9
475.18167	3.4
493.19244	100.0
494.19687	11.0
497.72479	0.8
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
55.01752	1.8
57.03317	2.0
59.01252	47.2
60.01573	2.2
61.01669	1.5
71.00893	1.6
71.01253	18.3
71.04865	1.4
72.99203	5.1
73.02817	5.0
75.00742	13.8
81.03338	1.2
83.01244	2.6
85.02826	16.1
87.00731	6.3
89.02319	5.3
93.03307	1.3
95.01260	3.8
96.95908	1.7
97.02855	1.4
97.06473	1.3
99.00758	19.1
101.02319	5.2
103.00248	1.8
109.02798	2.1
113.02334	15.2
115.00240	2.5
119.04910	1.3
123.07972	1.2
125.02312	3.1
125.09601	4.3
129.01779	2.3
131.03189	1.2
139.11107	2.8
143.03252	1.1
145.02876	1.7
151.00304	1.5
157.01294	1.9
163.11166	4.3
175.02396	4.9
181.11029	0.9
181.12285	8.6
181.49673	1.1
183.10286	1.9
199.13307	3.6
207.10184	12.0
209.04515	1.5
225.11285	23.1
227.03360	2.4
227.12810	2.3
231.04977	1.2
243.09912	1.2
243.12360	20.6
244.12628	1.5
249.06044	13.0
253.18175	2.4
255.02875	4.7
267.07233	6.9
271.19031	1.6
284.03247	4.5
287.15063	3.7
288.15363	3.4
289.03741	2.0
289.15677	7.1
309.08282	1.8
317.15955	8.7
325.29300	1.1
331.25067	1.1
345.22699	8.4
369.09885	2.4
373.09427	1.2
431.19391	3.0
433.24902	1.2
449.19949	1.6
475.18228	6.5
493.19144	100.0
494.19409	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	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86451	0.3
55.01762	0.4
56.37053	0.3
57.03327	1.3
59.01254	100.0
59.09330	0.3
60.01583	1.6
61.01675	0.6
61.90509	0.3
63.44795	0.3
63.68236	0.3
69.57659	2.3
71.01257	5.8
71.01617	0.5
72.99182	1.4
73.02825	1.4
75.00749	2.9
83.01258	0.7
85.02821	4.9
85.03292	0.5
87.00758	1.6
89.02336	1.2
95.01280	1.1
96.95886	0.4
97.02856	0.3
99.00764	3.1
101.02306	1.7
101.20568	0.3
103.00269	0.6
113.02331	5.4
115.00259	0.7
116.33231	0.3
117.01846	0.8
117.03386	0.4
125.02366	0.5
127.83086	0.3
129.01801	0.4
137.02365	0.8
139.11183	4.7
145.02858	0.6
151.00258	0.6
151.03947	0.4
157.01234	0.3
161.04503	0.9
175.02419	0.3
181.12259	2.7
183.02975	0.3
183.10175	4.8
199.13164	0.4
207.10278	0.5
219.61812	0.3
225.11272	2.3
229.18068	0.4
231.04956	0.4
243.12253	1.4
249.06093	4.0
255.03169	0.5
269.07651	0.3
287.02063	0.7
315.01407	1.1
317.16031	1.2
330.03806	0.6
331.04504	0.5
331.08099	0.6
345.22821	0.4
373.09027	0.3
373.22220	1.1
391.23416	1.7
401.76904	0.3
431.19382	0.8
433.17075	1.2
433.24615	1.8
434.24704	0.3
475.18033	1.6
493.19232	28.9
494.19519	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	493.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	5.5
59.01255	42.4
68.99688	3.6
69.03320	2.7
69.46751	11.2
69.47182	5.8
71.01257	44.7
71.96997	1.9
72.99176	11.3
73.02827	4.7
75.00753	21.4
80.45226	1.7
83.01273	3.2
85.02826	50.2
87.00755	17.8
88.98695	5.0
89.02321	16.3
91.03908	1.7
93.03346	3.7
95.01255	12.4
95.04936	2.7
96.95905	1.9
99.00770	15.2
101.02337	6.2
103.00266	6.8
105.03345	3.1
108.02067	4.7
109.02861	6.8
111.00755	3.6
113.02343	51.8
114.02645	1.6
115.00239	2.0
115.03924	1.9
117.01851	3.5
117.03323	2.4
119.03393	3.4
121.02863	11.4
123.00784	9.6
123.04427	10.9
124.01570	7.2
129.01822	3.8
134.03642	3.8
136.01552	5.1
137.02332	10.2
138.03125	4.2
139.00288	2.8
139.03914	7.6
145.02808	2.2
147.00821	2.6
148.01614	4.3
149.02368	13.2
150.03081	4.1
151.00307	6.2
151.03903	5.4
153.01830	2.5
153.05481	4.1
161.34409	1.7
163.00294	2.0
163.03931	3.5
164.01045	3.6
165.01904	4.5
165.05510	4.4
166.02614	7.0
167.03409	4.3
169.01395	3.2
175.00223	2.4
175.02464	3.3
176.01027	4.0
177.01862	2.6
178.99883	2.6
181.04994	10.4
192.00606	18.3
193.01418	10.5
193.05090	3.0
201.11427	1.7
201.72079	1.8
205.07060	2.6
207.02954	6.1
207.04820	2.0
208.03699	2.6
225.03995	3.3
249.06151	27.2
267.07205	100.0
268.07639	5.1
269.12964	3.5
271.09778	4.4
277.95700	2.3
308.76642	2.0
345.10956	2.1
345.15411	2.8
381.71274	1.9
382.09207	5.0
443.12106	6.6
447.10229	1.8
457.09882	2.2
493.11938	2.4
493.18958	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	493.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.2
63.02279	0.4
65.00184	2.2
71.35492	0.8
73.02802	0.5
83.01262	1.2
88.98663	0.4
99.00774	0.4
104.02558	0.5
105.03323	0.5
106.40626	0.4
107.01279	3.9
121.02864	0.7
122.55771	0.4
125.02332	0.5
132.02100	1.1
133.02853	13.2
134.03203	0.8
149.02353	2.4
151.00284	8.9
152.00708	0.6
171.04471	0.4
171.10187	1.3
175.03935	4.8
176.04321	0.5
183.04395	1.0
185.06000	0.5
197.06018	0.7
198.03099	0.6
199.03963	4.0
201.01825	1.3
211.03951	0.6
213.05554	0.9
215.03468	0.6
217.05003	2.3
227.03497	2.3
239.03528	0.5
241.05048	1.1
243.02948	1.1
255.00243	0.9
255.02972	23.1
256.03735	28.4
257.04175	2.4
281.04541	0.5
283.02478	39.0
284.03250	69.6
285.04019	100.0
286.04395	7.9
298.04715	0.4
326.04498	0.9
327.04782	0.4
435.10626	0.6
451.24707	0.5
475.10376	1.2
493.11240	9.1
494.11832	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	493.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
59.01254	16.9
61.19444	0.3
61.98696	0.4
63.02290	0.3
63.62259	0.3
65.00219	0.4
68.74577	0.3
71.01257	4.3
71.13165	0.6
71.13487	0.4
73.02831	2.2
73.99551	0.3
83.01260	1.3
85.02814	2.3
85.99958	0.4
89.02327	0.8
91.01782	0.6
94.10701	0.3
97.02851	0.3
99.00758	1.1
101.02322	3.0
107.01273	1.0
111.00795	0.4
113.02345	1.8
119.01276	3.6
120.36950	0.3
121.02879	1.9
129.13058	0.3
135.00781	0.9
137.48331	0.3
145.02863	0.6
151.00269	2.8
151.87270	0.3
153.01900	0.5
155.04921	0.9
161.02385	0.4
161.04483	1.3
167.04987	0.4
169.02858	0.3
171.04457	0.7
171.10170	0.6
172.63640	0.3
176.04710	0.4
179.03360	0.4
182.03664	0.7
183.04417	2.8
185.02429	0.6
187.03983	0.7
194.05809	0.6
198.03163	0.5
199.03932	0.7
211.03888	2.1
216.72067	0.4
219.74352	0.4
227.03581	1.7
255.02972	100.0
256.03333	9.0
283.02478	51.9
284.03018	6.9
285.04013	1.5
319.21262	3.6
451.25406	4.5
463.10202	0.4
475.09958	0.4
493.11398	45.9
493.26465	5.3
494.11789	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65725	0.9
57.03311	1.0
59.01255	5.8
62.91123	0.7
78.95781	85.1
89.58935	0.8
96.96854	4.8
103.91608	0.8
112.09360	1.0
113.09601	2.4
126.85252	0.9
140.01051	3.1
152.99486	15.0
171.00569	16.2
179.14322	1.7
195.13857	12.9
196.03786	2.0
196.14410	0.9
214.04845	4.5
218.20863	1.0
250.07651	0.8
274.73758	0.9
277.21774	13.0
278.22037	2.0
295.22791	100.0
296.23071	11.3
401.23306	1.7
418.24069	1.9
419.24429	1.3
475.27020	2.3
492.27368	64.6
493.27615	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	493.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79160	2.0
59.01253	9.8
60.97296	2.0
63.96117	2.7
70.27933	4.0
70.28346	5.5
71.01258	15.5
72.99187	2.9
73.02811	3.8
74.06465	1.8
75.00737	4.1
78.98462	8.7
79.95622	13.3
80.96394	83.5
83.01248	2.1
85.02822	9.3
87.00751	5.8
88.98678	5.6
89.02307	6.0
94.97962	22.6
101.02313	5.2
106.97962	3.0
110.48422	2.1
122.97456	4.1
125.02332	5.4
134.03659	5.4
134.97473	5.1
136.99054	2.1
148.99030	9.9
152.98605	4.7
164.98553	16.1
169.05962	2.7
176.70950	2.0
193.05042	2.6
205.37875	2.0
206.99629	4.8
225.00687	21.8
249.06113	2.6
267.07004	3.5
299.04596	2.9
317.01688	3.5
317.05463	67.4
318.05783	3.6
444.81671	3.0
493.10193	100.0
494.10336	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
58.00484	0.2
59.01251	4.6
60.07656	0.2
60.62069	0.2
62.81437	0.2
71.00893	0.3
71.01259	4.4
71.57844	0.2
72.01573	0.2
72.99181	0.4
73.02822	0.8
77.59859	0.2
83.01273	0.8
85.02814	0.9
87.00740	0.3
89.02318	3.2
95.01276	0.4
99.00716	0.4
101.02323	3.7
113.02354	1.9
119.03400	1.0
125.02315	0.3
133.04953	0.5
134.17509	0.2
143.03380	0.4
145.86325	0.2
161.04483	1.3
179.05522	0.3
187.06065	0.2
235.08232	1.5
253.09277	11.6
254.09671	0.6
255.23274	100.0
256.23605	10.4
491.33655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94733	0.2
55.01769	0.2
57.03297	0.2
58.00466	0.2
59.01248	5.1
69.36056	1.6
71.01254	3.9
72.99205	0.3
73.02821	1.0
73.33124	0.1
78.95792	0.2
81.97978	0.1
83.01263	0.7
84.16065	0.2
85.02827	1.0
87.00746	0.5
87.30215	0.1
89.02319	3.2
91.03903	0.1
95.01239	0.3
99.00777	0.3
101.02319	4.5
103.03870	0.2
113.02336	2.1
115.03893	0.2
119.03409	0.8
125.02330	0.3
133.04971	0.5
143.03400	0.3
161.04456	1.5
179.05533	0.4
235.08208	1.2
253.09270	12.2
254.09599	0.6
255.23262	100.0
256.23611	9.7
256.26407	0.3
303.69760	0.2
424.72488	0.2
469.29898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.20242	0.3
59.01256	2.3
66.03349	1.1
71.01260	1.7
71.02380	3.6
71.06400	0.5
71.06715	0.4
73.02813	0.4
73.03947	0.6
78.95757	0.3
79.86904	0.3
82.01604	0.9
83.02381	0.8
85.02843	0.4
89.02322	1.1
96.95892	0.3
97.00308	0.8
98.01099	0.6
99.00787	0.5
99.01888	1.1
101.02333	1.8
110.03487	1.6
111.01899	0.9
113.02350	0.8
113.07066	0.8
115.08658	14.2
115.09492	0.7
116.04937	1.8
118.06507	5.0
119.03417	0.5
125.07112	4.0
126.05500	2.0
131.04909	0.5
141.06607	5.3
143.08180	0.5
145.02802	0.4
146.04872	0.7
146.06018	11.6
147.06349	0.6
152.08188	0.9
153.06599	1.5
153.08949	0.7
163.08624	1.2
164.09435	0.6
167.11774	0.4
168.07733	1.5
169.13359	1.1
170.09245	3.6
171.10037	0.4
173.07079	1.0
174.05516	1.0
179.11804	4.8
180.12175	0.4
185.04726	0.4
189.06644	0.4
194.12968	0.8
196.14456	0.9
197.08124	0.4
197.12859	0.9
200.10724	2.0
201.06464	0.4
202.12294	1.1
212.25044	0.3
214.15573	4.6
216.07741	0.7
217.13425	1.3
222.12410	0.5
227.11902	3.0
228.10281	3.2
234.35863	0.4
240.07784	1.4
240.13365	0.6
244.14597	0.8
245.12950	3.6
248.10800	0.8
251.15051	0.5
262.15582	3.7
263.15829	0.4
269.16275	1.8
276.10309	0.8
283.18134	0.6
293.12967	0.5
295.22739	1.6
299.17719	0.8
310.15604	0.6
316.20135	0.5
324.97131	0.4
326.18741	6.2
327.18887	1.0
344.19812	3.6
400.21188	0.5
421.55560	0.3
455.06085	0.3
473.25446	0.6
491.26636	100.0
492.26913	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	491.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
57.03333	1.4
58.00444	0.8
59.01255	81.0
63.97818	0.7
69.03345	1.0
69.34560	7.2
71.01256	20.3
72.99196	1.6
73.02828	5.8
75.00727	0.8
80.80582	0.6
83.01249	4.1
85.02828	7.5
85.99974	0.7
87.00774	4.5
89.02316	3.1
95.01267	2.1
97.02831	1.4
99.00770	1.7
101.02336	8.5
111.00782	1.0
112.01550	1.3
113.02312	4.4
124.01528	1.1
125.02350	1.8
141.12779	0.9
161.04474	0.9
168.06204	0.8
169.12360	0.7
200.40668	0.7
269.21252	5.0
285.20938	0.9
287.22302	47.7
288.22464	3.5
299.22211	1.6
301.24023	1.1
305.78278	0.8
401.31076	0.7
431.26556	23.1
431.32242	1.6
432.26950	3.1
449.27612	45.5
450.27826	5.3
491.28693	100.0
492.28989	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	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.2
57.03310	1.5
58.00467	0.5
59.01253	25.5
69.03316	0.9
69.35397	3.0
69.35805	0.5
71.01255	13.9
72.99183	2.1
73.02809	3.9
75.00745	0.6
81.03339	0.4
83.01261	2.8
85.02827	7.1
87.00750	2.9
89.02320	1.7
95.01271	0.9
97.02223	0.5
97.02790	1.6
98.20479	0.8
99.00745	1.4
99.08052	0.5
101.02318	7.0
105.72974	0.4
111.00737	1.0
112.01530	0.9
113.02328	3.5
114.05304	0.3
119.03400	0.5
124.01553	1.3
125.02367	1.7
137.85110	0.3
141.01884	0.4
141.12726	0.9
143.03499	0.4
155.14287	0.3
159.03049	0.4
161.04454	0.4
176.33582	0.3
269.21213	2.6
271.22876	0.8
276.39453	0.4
283.06177	0.8
285.20828	0.6
287.22278	31.7
288.22589	3.0
299.22250	0.8
301.23886	0.7
329.23303	1.3
413.25208	0.4
431.26486	19.4
432.26678	1.7
447.22662	0.5
449.27548	43.1
450.27917	4.5
473.27670	0.7
491.28610	100.0
492.28946	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	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03322	1.7
58.00473	0.5
59.01253	47.3
60.01580	0.5
64.57151	0.4
69.03317	0.9
69.89240	0.3
71.01256	16.4
72.01591	0.5
72.99183	1.4
73.02818	4.9
75.00739	1.0
83.01269	2.7
85.02824	6.6
85.03288	0.5
86.00001	0.7
87.00745	5.6
89.02325	2.8
95.01257	1.8
97.02827	1.4
98.20654	0.7
99.00761	2.5
101.02316	7.7
111.00787	1.0
112.01542	0.9
113.02342	3.9
113.09624	1.1
119.03357	0.8
121.02943	0.4
124.01547	1.1
125.02336	1.9
125.09692	0.7
127.11191	1.4
141.01828	0.6
142.02568	0.6
143.03387	1.0
143.10779	0.8
195.99940	0.4
203.52643	0.4
230.44630	0.5
239.20094	0.6
241.21671	1.1
269.21207	4.9
270.21646	0.5
273.81097	0.4
285.20688	0.9
287.22281	47.9
288.22598	4.5
293.21024	0.6
299.22229	1.9
301.23865	1.0
311.22278	1.0
329.06647	1.4
329.23398	1.4
431.26495	27.1
432.26590	3.3
449.27554	55.7
450.27975	6.5
452.33197	0.4
491.28622	100.0
492.28922	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.3
59.01254	100.0
60.01597	3.7
69.53027	9.7
69.53457	5.8
71.01251	33.7
72.99165	8.8
73.02821	11.0
75.00751	12.4
81.03366	1.7
83.01265	7.8
85.02834	14.9
87.00771	4.2
89.02315	15.3
95.01279	5.3
99.00742	4.0
101.02348	18.4
107.01228	1.8
113.02329	20.5
119.03394	3.9
121.02834	3.1
125.02352	11.5
131.03473	2.1
133.02960	1.9
135.02963	4.0
137.02322	2.2
151.00261	7.2
153.01836	3.6
156.04306	1.9
161.04498	5.7
163.00287	2.6
173.06038	3.3
178.99799	7.5
215.07202	2.6
249.06125	5.2
259.06085	24.8
267.07159	12.7
283.06140	9.5
287.05600	4.5
301.07364	3.2
387.20245	24.0
388.20505	3.3
405.21280	8.3
429.08929	2.2
463.12317	5.7
491.11429	2.4
491.17758	16.6
492.18454	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.0
59.01250	40.6
60.01569	1.2
67.01749	1.2
68.99691	2.1
69.03317	3.4
71.01250	17.3
71.37755	1.5
72.36157	1.2
72.99181	3.0
73.02827	3.0
75.00730	2.2
83.01251	2.4
83.04907	2.7
85.02824	15.4
87.00762	6.1
89.02329	2.7
91.03887	1.1
95.01244	2.9
97.06476	0.9
99.00765	2.5
101.02335	4.1
101.78075	0.8
106.06555	0.9
111.00757	2.4
111.08032	4.0
112.98682	2.1
113.02332	16.8
115.00250	1.1
118.02461	0.8
126.93931	1.0
129.01830	2.5
139.00203	1.4
142.99768	4.7
155.02574	3.3
157.01308	2.3
165.11365	1.6
165.12770	29.6
166.13132	1.8
174.01611	3.6
175.02283	1.0
183.13829	100.0
184.14206	5.9
184.90454	1.0
205.07181	1.4
209.11775	2.4
211.13344	2.2
227.12784	9.9
249.06133	3.0
263.07809	6.8
281.08755	17.8
287.22247	7.0
290.41321	1.0
301.16550	7.3
329.11462	1.1
415.19601	4.9
431.26950	4.5
447.22427	1.9
449.27640	6.4
459.18549	7.7
460.18509	1.0
473.20496	3.0
491.21286	59.7
491.28448	14.7
492.21753	9.8
492.28458	1.4
516.22986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.5
57.03336	1.0
59.01254	100.0
60.01590	1.6
61.01683	0.6
61.26831	0.6
61.48454	0.5
71.01256	7.2
72.99162	0.7
73.02821	2.8
83.01235	0.6
83.04935	0.8
85.02834	3.6
89.02343	2.3
95.01298	0.7
96.16423	0.5
97.02855	0.5
99.00758	1.9
101.02324	5.1
113.02333	4.8
119.03410	0.9
135.75717	0.6
143.03513	0.6
161.04475	2.7
204.23006	0.6
249.06374	0.8
266.36105	0.6
267.07217	0.6
329.03284	1.2
371.20697	4.5
389.21841	12.8
390.22366	1.6
392.19153	0.6
431.22910	4.2
491.18134	2.1
491.30347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18189	0.3
57.03327	1.4
59.01252	100.0
60.01602	2.2
60.01847	0.4
61.01668	1.1
65.00198	0.8
69.29887	0.3
69.61665	1.2
69.62088	1.1
71.01257	2.9
72.99166	0.7
73.02820	0.9
75.00745	1.8
83.01272	1.1
85.02826	3.0
87.00764	1.2
89.02340	1.0
93.03350	0.8
99.00754	1.1
101.02293	1.9
107.01284	1.1
109.02840	0.4
113.02331	3.7
115.91975	0.8
116.92755	2.4
119.54693	0.4
119.71680	0.3
125.02340	6.5
129.73137	0.4
133.02806	0.5
133.03978	0.3
139.00175	0.3
149.02415	0.8
151.00235	2.5
152.01022	0.8
153.01888	1.2
165.05496	0.4
172.05226	0.7
173.06001	0.7
175.00308	0.5
175.02467	0.4
178.99817	2.2
179.10738	0.6
197.11783	0.6
215.07161	1.4
220.94221	0.3
231.07468	0.4
243.06557	0.7
249.06123	1.7
259.06104	13.4
259.08804	0.8
260.06519	1.2
267.07208	2.0
269.04736	0.5
283.06055	2.3
285.04221	0.5
287.05649	6.1
288.06067	0.6
299.01810	0.5
301.07251	1.0
311.05664	0.4
314.04501	1.5
315.14658	0.7
329.06830	1.1
371.20596	0.5
431.23111	1.3
463.12561	2.2
473.16525	0.7
491.10913	0.6
491.17554	10.2
492.18491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85648	0.7
51.37031	0.8
55.78674	0.7
57.03311	3.4
58.71382	0.7
58.79287	0.7
59.01254	100.0
60.01586	4.3
61.01664	2.1
67.72592	0.7
68.92832	0.7
69.03333	0.8
71.01254	15.1
72.99182	3.8
73.02811	3.1
74.28581	0.8
75.00747	8.1
81.03320	1.1
83.01250	2.1
85.02828	12.1
87.00752	5.5
88.98666	0.9
89.02298	4.1
95.01264	3.1
99.00761	6.4
101.02301	2.9
103.00240	1.3
104.88722	0.7
107.01210	0.9
113.02334	13.6
115.00262	1.1
115.91946	1.0
116.92731	4.1
117.01797	1.5
119.08562	0.7
125.02335	5.5
137.09596	2.2
140.62555	0.7
149.02376	0.9
150.03183	0.8
151.00256	1.9
173.05934	1.4
175.02382	1.7
177.90358	0.8
178.99773	2.9
179.10677	4.0
181.08629	2.7
197.11693	2.9
204.31570	0.8
223.09828	1.3
225.34834	0.7
231.04965	0.8
241.10985	1.0
249.06139	9.9
259.06088	9.4
260.06360	1.0
267.07227	9.6
269.04642	1.6
283.06039	1.8
287.05630	4.5
299.01987	1.4
301.06949	1.0
309.08115	1.1
314.04370	1.8
315.14374	2.2
329.06610	1.6
429.17569	2.2
431.15405	1.5
431.23145	0.8
473.16537	6.0
474.16702	1.1
491.17627	53.4
492.18259	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	491.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82618	0.8
54.97531	0.6
55.01751	0.8
57.03336	4.5
57.38454	0.6
59.01253	81.4
60.01575	2.5
60.34405	0.6
61.01666	1.1
67.01739	0.9
68.99677	2.2
69.03326	1.8
71.01254	19.6
71.04885	1.0
71.58160	0.8
71.58562	0.7
72.99183	6.1
73.02832	4.4
75.00751	13.1
83.01257	2.2
85.02346	1.2
85.02831	16.9
85.57611	0.8
87.00758	8.5
89.02319	5.0
95.01265	4.4
97.02826	0.9
99.00759	10.5
99.04385	3.0
99.92459	1.0
100.25681	0.6
101.02338	3.4
103.00253	1.8
107.50736	0.7
108.76788	0.6
109.02843	1.1
111.00714	1.2
113.02338	18.2
115.00250	2.8
115.91942	2.4
116.92742	6.1
117.01859	1.8
119.08560	1.9
125.02352	1.3
129.01797	1.7
130.84113	0.7
133.10092	0.8
135.08069	1.2
135.11679	1.3
137.09612	6.2
137.19038	0.7
149.06006	0.7
153.09142	1.5
157.01297	0.9
161.04619	1.2
161.09605	1.4
161.75160	0.7
162.05537	0.9
163.07555	2.0
170.74980	0.7
175.02370	2.9
179.10672	5.6
181.08643	6.4
197.11778	3.6
200.39629	0.7
204.43808	0.7
213.88278	0.8
223.09785	0.8
231.05054	1.5
241.10770	2.7
242.08209	0.7
249.06140	19.4
250.06329	0.8
267.07202	13.7
287.05740	1.5
315.14429	5.3
339.66864	0.7
344.99295	0.8
429.17764	3.6
431.15503	5.0
455.25479	0.7
473.16345	4.3
491.17685	100.0
492.17993	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.0
56.35321	0.5
57.03325	3.1
58.00460	0.6
59.01253	53.3
60.01571	0.8
60.92839	0.6
67.01764	1.1
68.99686	1.9
69.03315	2.1
70.55083	2.4
71.00897	1.0
71.01255	16.3
72.99194	3.2
73.02840	3.2
75.00739	1.8
81.03335	0.8
83.01257	2.7
83.04910	3.7
85.02825	14.3
85.99965	0.7
87.00748	4.9
89.02320	4.0
91.03871	0.9
95.01269	3.8
95.04906	0.6
96.95908	0.6
97.02814	1.4
97.06463	1.0
99.00750	2.3
101.02338	6.1
103.00254	1.2
106.06460	1.5
109.02736	0.9
111.00741	2.5
111.08048	2.0
112.01571	0.7
112.98680	2.3
113.02331	14.6
114.02638	0.6
115.00271	1.6
125.02320	1.1
129.01845	1.3
129.63222	0.7
133.02853	0.7
134.03615	0.8
139.00279	0.9
142.99773	3.5
143.03424	0.7
150.27713	0.8
155.01433	1.3
155.02589	10.5
157.01360	3.1
161.04500	0.9
165.12770	18.8
166.13104	1.5
169.04953	0.8
173.00781	1.8
174.01628	4.4
175.02350	1.4
175.05362	0.7
181.05006	1.2
181.12271	0.7
183.13835	100.0
184.14165	7.8
185.62335	0.6
187.06049	0.7
189.03925	1.4
191.10730	0.7
197.11821	0.6
205.07175	1.2
209.11786	4.1
211.13377	1.8
227.12843	9.2
227.16451	0.7
228.13057	0.8
239.03423	1.2
239.13010	0.7
249.06148	1.4
253.01302	1.0
263.07709	7.3
267.02930	1.7
268.03793	2.7
269.04550	1.3
269.21262	0.7
281.00873	0.7
281.08817	7.6
287.22278	4.5
301.16599	6.6
301.20255	2.1
329.11591	1.3
329.19669	0.8
389.21732	1.6
415.19626	5.3
417.15692	0.7
419.27338	0.7
431.26694	4.7
447.22488	2.8
449.12198	1.3
449.27490	6.0
459.18823	8.0
460.19247	1.1
473.20337	3.6
491.21448	61.8
491.28519	12.9
492.21933	9.7
492.28696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70588	0.6
55.01769	1.1
57.03314	3.1
58.00468	0.7
59.01251	100.0
60.01586	1.9
65.29660	0.6
68.99696	1.3
69.03330	1.8
70.98824	1.5
71.01254	18.8
72.99183	3.7
73.02823	4.2
75.00736	9.8
83.01266	1.7
85.02821	15.2
87.00736	5.1
89.02312	6.0
91.05447	0.6
93.03360	0.9
95.01280	2.7
97.02842	1.0
99.00761	7.2
99.04446	1.5
101.02328	5.1
103.00261	1.7
109.02840	6.4
111.00797	0.8
113.02337	15.6
115.00269	1.5
117.01821	1.8
119.03432	3.0
119.08542	1.5
121.02843	15.4
122.03649	1.4
124.01611	0.7
125.02313	1.2
129.01833	1.4
135.00673	0.8
135.04425	4.8
137.02356	0.9
137.09622	5.5
137.76366	0.7
143.03445	0.7
149.02351	1.3
149.05977	2.2
150.03098	6.0
152.43565	0.6
153.09076	0.8
161.04475	1.2
161.09618	1.3
163.03891	1.1
163.07619	1.5
165.05479	6.4
171.18770	0.7
175.02455	2.1
179.05582	0.7
179.10674	4.3
181.08600	4.9
197.11768	2.6
223.09837	1.3
225.14967	1.5
227.03474	0.6
227.12785	3.1
231.05014	1.6
241.10814	1.6
249.06116	13.3
249.08548	1.0
250.06638	0.8
255.06726	1.6
267.07205	10.4
268.03818	1.5
269.04544	7.1
270.05048	0.7
271.06189	1.9
271.61249	0.6
272.06824	1.1
286.08447	1.4
287.09247	26.1
287.14856	8.0
288.09631	1.8
314.04395	0.6
315.14542	4.9
329.06613	1.7
336.56125	0.6
343.21335	1.1
371.20596	1.0
387.20709	0.6
389.21698	5.7
429.17715	2.8
431.09750	2.1
431.15335	3.7
431.22800	2.4
449.14648	0.8
449.24075	0.8
473.16684	4.0
474.62387	0.7
491.17691	90.9
492.18060	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	491.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10599	0.7
55.01746	1.3
57.03330	3.7
59.01254	79.0
60.01575	1.6
68.99702	1.2
69.03326	1.6
69.46614	5.9
71.01257	18.3
71.04877	0.8
72.99188	4.8
73.02814	2.5
75.00748	13.1
83.01254	2.3
83.04892	0.9
85.02824	17.5
87.00755	6.8
89.02307	5.0
93.03319	1.3
95.01247	4.1
97.02811	0.8
98.20583	1.3
99.00757	8.1
99.04399	3.0
101.02330	3.0
103.00237	1.3
111.00755	1.5
113.02335	20.6
115.00252	3.1
117.01843	1.8
119.08549	2.3
121.06490	0.9
129.01819	2.1
131.03383	0.9
135.08098	1.3
135.11693	0.9
136.44951	0.6
137.09625	7.2
153.09103	1.5
156.61179	0.7
161.09619	1.1
163.07579	2.4
175.02391	2.3
179.10678	4.2
181.08597	5.8
193.03323	0.7
197.11743	4.0
202.59047	0.9
209.11731	0.9
223.09738	1.7
231.04993	1.5
241.10776	2.2
249.06175	17.6
250.06581	0.8
267.07251	11.6
269.04578	1.4
287.09009	0.8
287.14825	1.4
311.10410	1.1
315.14462	6.4
329.11465	1.2
343.21323	1.3
368.25757	0.8
389.21478	1.0
429.17429	3.3
431.15536	3.4
431.22784	1.1
473.16687	4.3
491.17722	100.0
492.17929	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	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02739	0.5
57.03324	0.9
58.18557	0.5
59.01262	2.8
59.01501	0.6
65.03814	0.6
67.01730	0.6
68.99699	1.0
69.03326	0.9
71.01249	1.4
78.75725	0.5
81.03330	5.0
83.01252	9.3
83.01711	0.8
84.44817	0.6
85.02833	1.8
93.03339	1.7
95.01264	1.3
95.04887	4.5
97.02841	3.1
98.19800	2.2
99.04398	2.2
107.04898	1.5
109.02827	2.3
109.06508	0.8
111.04411	1.7
113.02349	1.6
119.04903	1.5
121.02844	2.2
121.06461	1.2
122.03571	0.6
123.04411	13.4
125.02354	7.8
133.06514	0.8
135.04440	3.4
136.05157	0.6
137.02318	3.5
137.05983	7.8
139.03908	7.7
141.05496	1.7
141.46268	0.6
145.02975	0.7
147.04427	2.1
149.02361	1.1
149.05986	2.5
151.03979	3.0
151.07622	0.7
153.05446	0.7
159.04521	0.7
159.83719	0.5
161.02425	0.6
161.06039	1.8
163.03998	3.2
164.04678	1.7
165.01837	2.8
165.05542	3.8
167.03423	28.8
168.03787	0.8
177.01767	0.7
177.05519	1.8
179.03404	6.3
179.07034	1.3
180.04149	1.1
181.05000	2.9
189.05501	1.4
191.03435	1.3
191.07031	0.6
193.05011	4.6
197.04440	3.2
205.04987	1.7
206.01904	0.7
207.03003	0.7
207.06575	1.9
208.03773	0.7
209.04501	45.7
210.04832	2.3
219.02954	0.7
221.04498	11.2
222.04953	0.7
223.06050	1.4
233.04500	1.0
235.06058	3.0
239.05565	14.3
240.05910	1.1
248.03119	1.4
249.03925	0.9
251.05591	100.0
252.05960	6.6
263.05594	5.4
265.07178	1.0
269.06784	0.7
281.06662	62.5
282.07040	4.7
293.06696	3.0
299.19125	0.6
311.07739	18.1
312.08133	1.3
323.07770	1.3
335.07849	0.8
353.08807	4.2
354.09210	0.9
365.08643	0.8
371.09842	9.0
372.10049	1.1
383.09763	3.4
401.10895	1.6
491.14133	3.7
492.14804	0.7
514.71313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside
Peak:m/z	Relative Intensity
57.03299	0.5
59.01255	20.9
64.81774	0.3
65.00162	1.1
71.01245	3.1
72.99158	0.5
73.02774	1.8
75.00710	1.0
83.01225	0.5
85.02809	1.8
87.00767	0.4
89.02269	1.7
90.22398	0.4
96.58069	0.4
97.02805	0.7
99.00740	0.7
101.02265	1.8
101.02850	0.4
113.02272	1.6
121.02825	0.4
148.01582	2.7
149.04393	0.5
149.99478	0.5
151.00238	0.8
155.10690	3.6
161.04442	0.6
163.03928	0.5
165.01849	6.7
165.43375	0.4
175.03850	0.4
198.03088	1.7
201.01981	0.6
203.03430	0.7
205.84775	0.4
213.01822	0.8
214.02605	1.3
215.03424	1.2
217.04906	0.5
225.01816	0.5
226.02686	4.5
227.03421	2.8
229.01373	3.6
229.72728	0.5
230.02182	0.8
231.03009	3.1
241.04959	1.8
242.02194	4.7
243.02928	6.0
244.03687	3.3
245.04431	0.6
253.01416	0.6
254.02193	0.8
255.02924	2.3
256.40448	0.5
257.04572	5.2
258.04758	0.5
259.06183	0.6
269.04510	0.9
270.01672	3.1
271.02481	23.9
272.02887	2.1
285.04044	17.9
286.04660	2.8
287.22156	0.7
297.04132	0.9
298.04874	0.7
299.01990	19.7
300.02328	1.1
301.07178	1.0
313.03546	33.4
314.04315	65.2
315.04733	6.0
328.05792	0.8
329.06674	100.0
330.07007	8.5
431.26559	0.8
449.27667	0.8
470.25177	0.7
476.09592	6.3
477.09747	0.5
491.11987	3.2
491.28680	3.4
492.12531	0.8
493.73468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01752	0.6
56.44852	0.5
57.03321	0.9
59.01254	20.6
60.01575	0.9
63.02264	1.0
65.00194	12.3
71.01251	4.2
72.01588	0.5
72.99207	0.6
73.02821	1.0
73.69393	0.5
75.00745	1.5
83.01256	4.6
85.02831	1.5
87.00751	0.7
89.02303	1.0
93.03335	0.8
93.78205	0.5
97.02841	0.8
99.00749	0.9
101.02323	1.4
107.01277	18.8
107.04925	0.5
109.02862	3.0
113.02351	2.0
116.92732	0.6
120.01169	0.4
121.02837	0.7
125.02349	4.3
125.09614	0.5
131.01283	1.0
134.03641	2.0
135.04414	84.2
136.04770	2.3
137.02324	0.7
139.03951	0.6
147.02872	0.6
149.02374	0.7
151.00281	98.3
152.00636	3.9
153.03864	0.5
161.02393	1.3
161.04527	0.5
165.01848	1.6
169.01297	2.9
169.38608	0.5
171.10236	0.5
175.00273	7.5
177.01869	1.1
185.11710	0.6
193.01329	1.8
197.11839	1.3
201.12827	0.9
205.01357	0.8
217.01381	0.6
227.03470	2.1
228.03879	1.9
229.04036	1.4
245.11766	0.6
249.06070	1.3
255.03021	5.8
256.03357	2.9
257.03558	3.3
267.07352	0.8
269.04428	1.1
284.03232	6.5
285.03827	4.9
286.03870	5.4
287.05624	100.0
288.05957	7.4
311.05521	1.2
329.06711	1.2
342.51129	0.6
343.21188	1.9
355.06641	1.9
369.10153	1.4
431.23218	0.6
491.11203	7.6
491.21036	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65371	0.4
54.07211	0.4
55.01756	0.5
57.03310	0.5
58.81338	0.3
59.01257	22.7
69.31104	1.7
69.31525	2.0
71.01259	5.3
72.99152	0.4
73.02797	1.7
75.00732	1.0
77.95273	0.3
81.03308	0.4
83.01246	0.7
84.16227	0.4
85.02811	1.6
85.13293	0.4
86.53839	0.4
87.00738	0.7
89.02301	1.3
95.01249	0.6
96.25854	0.4
96.95892	0.6
98.20650	0.4
99.00726	0.9
99.04514	0.4
101.02319	3.3
113.02304	1.6
119.03406	0.8
121.02818	1.1
123.07983	0.4
125.02341	0.4
129.01830	0.5
135.04404	1.1
135.39981	0.4
150.03094	0.5
151.00270	1.9
161.02357	8.4
161.04410	0.6
162.02763	0.5
165.05495	0.9
183.04399	1.5
185.02371	2.2
187.00230	0.9
193.04987	0.5
199.03899	1.3
203.03456	3.7
203.05202	0.5
225.11208	0.6
227.03462	13.8
228.03862	0.7
229.01349	2.0
243.02992	2.7
245.11641	0.4
255.02986	1.8
257.08160	1.0
271.02499	16.5
272.02982	1.8
281.03613	0.4
284.03357	2.0
285.04050	1.8
287.05765	0.8
287.09000	0.7
296.07132	0.6
299.01978	61.9
300.02502	8.1
301.03146	0.7
313.03519	2.8
314.04330	62.1
315.04834	9.1
329.06671	100.0
330.07034	8.9
369.09915	1.9
373.25940	0.5
431.26978	2.1
449.27640	1.3
491.11630	0.8
491.27661	1.9
492.16449	0.8
492.28528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.00948	0.5
59.01253	9.0
63.02263	1.7
65.00198	11.7
70.27402	1.0
71.01253	1.0
73.02830	0.7
83.01260	5.0
85.02838	0.7
87.55413	0.3
89.02330	0.3
97.02781	0.3
101.02318	0.6
107.01273	18.9
108.02118	0.6
109.02852	1.5
111.00785	0.5
113.02336	0.4
119.04915	1.0
125.02343	4.2
133.02827	0.4
134.03662	2.3
135.04416	72.1
136.01535	0.4
136.04764	3.1
139.00253	1.1
149.05992	0.3
151.00276	100.0
152.00609	3.5
153.01834	1.0
159.04498	0.6
161.02357	1.2
164.01062	1.0
165.01837	0.7
166.99721	1.0
169.01320	2.3
177.01843	0.8
177.05508	0.5
181.01331	0.6
193.05013	1.2
196.00136	0.4
201.05646	0.3
269.04526	0.7
279.08881	0.4
285.04123	0.7
287.05615	62.3
288.05954	4.5
329.06647	0.5
339.10846	1.2
431.09811	4.8
449.10742	1.2
491.11938	15.3
492.11914	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	489.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.1
57.03327	24.5
58.00472	1.1
58.03652	0.4
59.01254	27.8
60.01584	0.5
67.01766	1.4
68.99700	1.0
69.02952	0.3
69.03328	5.0
71.01256	59.7
71.04897	0.5
71.58963	0.2
71.64510	0.2
72.01583	1.0
72.01976	0.2
72.99187	3.3
73.02822	12.6
75.00758	1.0
81.03331	0.6
83.01260	16.4
84.01609	0.4
84.02050	1.3
85.02826	54.8
85.06461	2.2
85.99975	3.0
86.03141	1.2
87.00755	4.6
87.04407	0.3
89.02319	5.3
91.31806	0.2
95.01266	14.0
96.01629	0.3
97.02829	5.0
97.06468	0.3
99.00762	9.1
100.01056	0.2
100.51692	0.2
101.02328	18.0
102.02641	0.3
110.00040	0.2
111.00777	1.5
112.01551	4.9
112.16447	0.2
113.02335	58.6
114.02660	1.4
115.03920	1.3
119.03405	1.3
120.47182	0.2
124.01561	3.1
125.02345	5.1
127.11124	0.3
129.01825	0.7
131.03416	0.5
131.10675	0.3
139.00258	0.5
142.01685	0.2
142.02576	1.1
143.03401	7.1
145.02896	0.3
149.04424	0.2
155.14314	1.1
159.02911	1.7
161.04471	13.8
162.04752	0.5
179.05510	0.3
195.17387	0.3
197.15404	7.3
198.15753	0.5
205.03540	0.5
213.18549	15.3
214.18939	1.1
223.20639	0.4
225.18558	1.3
241.21689	0.9
257.24927	0.5
277.11987	0.2
281.24896	0.5
283.22922	0.3
285.11041	0.2
299.25922	9.6
300.26288	0.9
311.26062	0.6
315.18103	1.8
327.29037	2.0
345.30096	25.9
346.30417	2.5
348.65344	0.4
357.19043	0.4
357.22989	0.3
357.29987	0.7
369.30344	0.4
387.31134	1.2
401.32785	0.4
413.32663	0.3
415.30603	1.2
429.21359	0.6
441.32465	1.3
443.30051	1.5
444.30432	0.3
447.16025	0.3
447.22263	5.6
447.28061	0.3
448.22742	0.8
459.33362	1.9
460.33139	0.2
471.33585	1.0
489.24127	4.6
489.34323	100.0
490.23495	0.7
490.34686	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31131	0.3
59.01250	100.0
60.01590	0.7
71.01251	1.3
73.02815	0.8
85.02838	0.6
89.02322	0.7
97.85036	0.3
98.20634	0.9
99.00745	0.5
101.02362	1.0
113.02337	0.8
119.03452	0.4
123.40197	0.3
161.04453	0.5
165.80359	0.3
165.89682	0.3
181.74669	0.3
211.80800	0.3
230.27452	0.3
312.63547	0.4
366.15024	0.3
369.19339	0.9
387.20459	1.1
429.21497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14409	0.5
55.01751	0.8
57.03330	2.2
58.00476	1.0
59.01254	44.3
61.98699	0.6
63.25140	0.5
64.02199	0.6
69.03320	0.7
69.38145	5.5
71.01254	15.4
71.04893	0.8
72.99171	1.5
73.02831	3.8
75.00758	0.9
75.69765	0.5
81.03344	0.7
83.01274	2.7
85.02824	8.4
87.00768	1.6
89.02315	6.1
95.01271	1.6
95.04899	0.6
97.06473	2.2
99.00772	1.8
99.04399	0.8
101.02334	7.7
103.82744	0.7
107.63594	0.7
109.02872	1.2
110.05412	0.6
111.00803	0.7
113.02341	7.0
119.03416	1.9
119.04990	0.7
121.02859	1.0
123.00786	0.6
123.08057	0.8
124.01575	0.7
125.02376	1.4
125.09647	1.0
127.11196	2.1
137.02377	1.0
137.09657	0.8
141.09085	0.7
155.10713	3.9
161.02396	2.0
161.04491	1.3
165.12799	1.3
167.03369	0.8
171.10191	11.6
172.05196	1.0
179.14479	0.6
183.13840	1.3
185.11826	1.4
193.12373	1.1
197.11751	0.9
201.15118	0.7
209.11777	1.7
211.13324	11.2
211.15166	1.0
212.13806	1.1
221.11809	0.7
223.13437	0.7
224.04863	1.1
225.05470	0.7
225.14873	2.8
227.12967	0.7
229.14401	24.0
230.14845	1.7
252.04291	1.3
255.03027	1.3
256.03503	0.7
257.13834	0.8
267.06799	2.1
270.05359	6.8
271.05658	0.7
285.07706	11.3
286.08243	2.2
291.19659	5.7
309.20798	4.9
311.22311	1.7
315.18076	0.8
327.21771	8.6
391.19855	3.0
429.25150	1.2
447.22507	2.4
453.19479	0.7
489.27155	100.0
490.16483	0.9
490.27545	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	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01251	100.0
60.01601	1.0
64.36697	0.5
71.01247	6.7
71.57690	0.5
71.58110	0.8
72.99192	1.4
73.02831	1.5
75.00762	1.6
83.01268	1.0
83.04894	0.7
85.02833	3.7
87.00757	1.0
89.02328	3.5
95.01275	1.0
99.00752	0.9
101.02322	4.0
109.06464	0.6
110.33279	0.5
111.00757	0.6
113.02315	2.9
119.03391	0.7
121.26697	0.5
123.08014	0.5
125.02321	0.7
134.03639	1.2
135.04417	1.6
141.08205	0.6
149.06013	0.5
151.00243	0.7
152.07095	1.4
155.10715	1.8
161.04535	0.6
171.10220	2.7
175.03932	0.5
185.11676	0.6
195.13904	0.6
211.13330	2.5
215.31273	0.5
221.11821	0.7
229.14342	3.2
239.12930	0.7
245.82048	0.6
249.05968	0.5
263.22668	0.5
267.07236	1.2
285.07816	1.0
285.20676	0.7
291.19672	1.8
303.13510	0.6
309.20789	2.0
311.22104	0.6
327.21747	2.2
400.40683	0.6
429.24905	5.2
430.25070	0.8
447.25961	3.1
453.20380	1.0
489.20233	1.0
489.26968	23.8
490.27530	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03339	2.5
57.50430	0.4
58.00471	1.7
59.01253	100.0
60.01581	1.2
69.03336	1.1
70.35432	1.8
71.01256	41.0
72.01588	0.7
72.99185	2.9
73.02822	28.0
75.00757	1.3
81.03335	1.0
83.01260	5.1
83.04914	0.4
85.02827	11.4
87.00728	2.2
89.02320	33.6
90.02697	0.6
95.01257	2.7
97.02838	1.7
98.20438	0.6
99.00761	78.4
100.01096	1.6
101.02325	21.0
113.02337	22.8
114.02678	0.6
119.03395	7.4
119.04755	0.4
123.11037	0.4
125.02349	4.0
129.57600	0.4
131.03413	10.0
137.02382	0.5
143.03397	4.2
145.02818	0.7
148.53380	0.4
149.04459	18.3
150.04805	0.5
155.03406	3.0
159.77553	0.4
161.03201	0.6
161.04474	10.3
163.91833	0.4
172.42062	0.4
179.05556	2.5
185.81808	0.5
191.05544	28.4
192.05847	0.9
201.01387	0.5
203.03757	0.7
203.05559	10.1
233.06680	2.2
249.05989	0.7
277.12115	0.6
280.57150	0.4
285.07379	0.9
315.18005	2.1
345.30063	2.0
447.22330	16.1
448.22672	2.0
461.60471	0.5
489.23126	14.3
489.33624	4.9
490.23486	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77285	0.4
55.01762	2.6
57.03332	4.3
58.00455	1.1
59.01255	100.0
60.01576	1.0
68.80584	0.5
69.03342	1.6
71.01258	45.1
71.38504	0.6
72.01611	0.6
72.99178	2.1
73.02821	24.7
75.00748	1.1
78.43398	0.5
79.94498	0.5
81.03371	0.7
83.01263	6.6
85.02827	23.1
85.99975	0.6
86.03196	0.5
87.00767	2.2
89.02328	10.1
95.01279	5.0
97.02831	2.3
98.45963	0.5
99.00763	15.1
101.02327	26.0
102.02684	0.5
107.61127	0.5
111.00755	1.7
112.01575	0.8
113.02339	23.1
114.02625	0.5
119.03403	1.9
125.02327	2.7
129.01849	1.5
131.03400	2.2
143.03471	3.0
143.04385	0.5
149.04486	0.8
159.02847	2.4
161.03206	1.0
161.04469	14.7
183.35654	0.5
191.05528	1.7
197.15443	0.5
201.04053	0.7
203.05524	0.9
213.18643	1.2
244.60951	0.5
249.14987	1.0
285.11349	0.8
297.17026	1.8
299.25903	0.9
315.14478	1.0
315.18112	15.4
316.18378	1.8
345.30084	2.3
357.19098	1.8
382.51144	0.5
385.70755	0.5
429.21051	1.7
447.22342	42.3
448.22537	5.4
489.23303	39.8
489.33719	8.2
490.23627	6.0
490.34369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
68.99767	2.5
69.00320	1.9
71.01267	10.7
71.57336	3.3
72.99167	2.8
73.02817	4.2
75.00754	5.2
85.02824	7.6
87.00767	3.3
87.17432	2.3
88.84834	2.3
89.02322	4.0
89.74025	1.9
95.01220	2.6
97.52531	2.2
98.16160	2.0
99.00751	3.1
101.02314	5.9
109.02818	2.2
113.02325	8.0
113.03076	1.9
197.77551	2.0
220.02827	2.5
249.06180	5.7
267.07153	13.8
311.89575	2.1
408.72693	3.1
415.37656	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	489.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.9
57.03329	1.3
58.00467	1.1
59.01253	100.0
60.01577	0.7
60.34098	0.5
68.87859	0.5
68.93032	0.6
69.03326	1.3
70.68544	1.9
71.01256	36.8
72.01608	0.7
72.99187	2.4
73.02821	25.4
75.00763	1.9
81.03333	1.0
83.01257	5.9
85.02827	9.7
87.00757	2.0
89.02321	30.8
95.01270	2.3
97.02828	1.3
98.20591	0.6
98.71712	0.5
99.00757	43.8
100.01081	0.8
101.02326	21.0
102.02696	0.7
112.01574	0.7
113.02335	20.0
114.02630	1.3
118.06528	1.1
118.32919	0.4
119.03397	7.2
125.02358	2.5
131.03400	7.1
143.03409	2.6
146.08102	1.3
149.04477	15.1
150.04816	0.6
155.03452	1.3
159.02896	0.6
161.04468	7.3
164.07048	0.6
179.05518	3.0
191.05545	17.4
203.05550	6.0
217.09744	1.0
233.06564	1.7
249.14845	0.9
277.12158	1.1
285.07568	1.3
315.18030	5.1
345.30087	0.9
371.16187	3.6
416.56845	0.6
428.50824	0.6
429.20456	0.9
436.93347	0.6
447.22272	21.8
448.22519	2.7
488.72610	0.9
489.23132	19.5
489.34299	0.9
490.23413	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	489.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93332	1.3
57.03316	3.1
57.43442	1.5
59.01249	24.3
60.75381	1.3
71.01254	100.0
71.04903	1.6
71.56373	2.5
72.01568	3.0
72.99187	25.5
73.02792	1.3
85.02833	3.4
87.00747	32.1
87.44008	1.4
89.02316	13.0
93.79514	1.6
96.95889	1.5
101.02326	6.9
101.05955	5.4
101.16396	1.6
102.05472	2.3
113.02338	2.5
115.00262	28.3
119.03391	5.6
119.04907	2.1
121.14432	1.5
128.03485	1.9
129.01810	14.4
133.01358	2.7
139.21173	1.5
145.06079	7.4
146.04514	3.5
147.02901	87.0
147.06532	36.8
148.03217	1.8
153.05434	2.0
161.04480	3.0
179.05504	6.8
222.98625	1.5
341.10925	27.9
342.10965	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57627	0.4
50.75424	0.4
51.25667	0.5
59.01253	23.0
60.72182	0.4
65.03821	2.0
67.01736	1.1
69.81682	2.8
71.01263	2.2
72.99192	0.4
73.02825	1.4
76.88501	0.5
83.01247	0.5
85.02834	0.6
93.93096	0.4
101.02348	1.5
102.77549	0.5
109.02837	42.7
110.03214	1.1
113.02338	1.2
132.02084	1.4
134.03671	0.5
135.00749	0.6
144.01779	0.5
147.43739	0.5
149.05957	0.5
195.04478	1.2
208.05183	1.4
211.13396	0.6
223.03938	3.9
224.04765	3.6
227.03340	0.6
251.03474	4.5
252.04263	52.2
253.04594	4.2
267.06625	100.0
268.06998	10.4
268.09546	0.5
285.07697	16.8
285.10843	1.0
286.08121	1.0
341.10501	0.8
353.10474	0.7
489.13943	3.8
489.27481	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	489.1041
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01253	27.4
60.05739	0.3
63.02268	0.5
65.00214	0.7
69.36642	2.9
73.02837	0.5
75.00754	0.3
83.01283	0.4
84.09847	0.3
89.02294	0.5
90.64975	0.3
91.01837	0.3
93.03353	0.9
95.01254	0.4
101.02329	0.4
107.01276	1.5
109.02801	0.5
132.02043	1.6
135.00764	1.5
151.00288	2.4
152.03439	2.9
153.03764	1.0
157.06532	0.4
159.04460	0.6
163.00290	1.5
164.01080	0.6
167.04973	0.7
168.42114	0.3
169.06505	0.5
171.04369	0.5
173.06033	0.4
183.04443	1.4
185.02437	0.7
185.06058	0.9
187.03955	1.3
189.05597	0.3
199.03925	1.1
200.04753	0.5
211.03960	2.1
212.04506	0.4
213.02034	0.3
213.05443	0.6
227.03455	32.6
228.03911	2.2
229.05029	4.5
230.05295	0.4
239.03520	1.5
240.04112	0.5
241.04980	0.5
255.02975	64.7
256.03467	7.3
257.04547	2.9
258.04700	0.3
267.02856	0.3
271.02368	0.8
283.02435	1.3
284.03265	100.0
285.03973	36.5
286.04306	2.0
300.02737	1.2
327.05243	0.9
368.10355	0.3
377.09778	0.8
387.20309	0.6
429.08139	0.6
447.09180	2.5
448.08932	0.3
465.85553	0.3
489.10352	44.9
490.10757	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.0
59.01254	100.0
60.01569	1.6
60.14399	1.5
65.00201	2.2
69.03349	2.2
69.86513	2.4
69.86922	7.4
71.01258	30.1
72.99170	6.9
73.02816	8.5
73.31091	1.5
75.00754	13.7
80.67298	1.6
83.01256	3.4
83.04916	2.3
85.02822	21.2
87.00745	8.4
89.02341	9.3
89.36243	1.5
95.01295	3.7
99.00761	15.5
101.02322	14.0
106.04147	1.8
107.04886	2.2
113.02324	25.3
119.47527	1.8
128.03476	1.8
131.03403	2.8
134.64960	1.7
136.98717	9.7
143.03416	2.0
143.04533	2.7
149.04506	2.7
161.02365	1.6
161.04437	4.0
172.01637	1.6
175.02388	2.8
177.12779	9.5
183.13849	3.6
195.13838	23.9
196.14168	2.3
203.10690	4.1
209.11717	3.4
211.13264	1.9
221.11734	8.7
225.05452	13.6
226.06125	3.0
227.03381	3.8
239.03452	2.0
239.12831	3.6
241.08644	27.3
242.09058	1.7
249.06082	15.0
255.03008	8.2
267.07172	29.7
268.03741	4.7
268.07538	2.0
283.02457	30.3
284.03116	5.8
285.03940	2.1
285.20926	1.9
309.20859	1.8
310.98483	3.6
311.01990	57.9
311.05298	2.2
312.02673	30.9
313.03165	4.4
313.16602	2.6
315.18021	4.0
327.05078	73.3
327.21716	2.8
328.05377	7.3
348.64566	1.8
416.35132	1.7
429.25174	4.8
447.21817	8.9
471.18594	3.0
474.08017	7.8
489.10422	21.9
489.19806	55.1
489.26755	25.1
490.10962	2.7
490.20160	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	487.3428
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.19971	0.6
53.15072	0.5
59.01236	2.7
60.99163	0.7
70.86527	1.1
71.01248	1.3
89.02374	0.6
114.91618	0.7
160.11354	0.6
174.09805	0.7
187.14743	0.7
191.14281	1.5
198.13802	0.7
230.79837	0.8
242.79214	0.6
324.81342	0.6
359.27496	2.3
360.19995	0.7
373.28729	1.3
375.30554	22.2
376.26743	0.6
376.30807	3.4
407.29608	3.1
408.29648	0.9
409.31149	10.9
410.31339	1.5
421.31116	52.3
422.31470	7.2
453.30054	8.0
454.30371	1.3
469.33221	27.8
470.33411	4.5
487.34286	100.0
488.34677	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	487.255
Annotation	MR 387B
Peak:m/z	Relative Intensity
55.01757	0.5
57.03320	1.6
58.00471	0.6
59.01254	100.0
60.01593	1.0
60.13525	0.3
62.20510	0.3
69.03319	0.8
71.01257	16.8
72.99195	1.3
73.02823	10.5
73.03239	0.4
75.00764	0.9
81.03349	0.3
83.01256	4.3
85.02824	5.6
85.03284	0.4
87.00759	1.6
89.01794	0.2
89.02321	6.2
89.52294	0.3
93.06995	0.7
95.01287	1.5
97.02855	0.7
99.00777	1.5
101.02328	12.1
113.02333	8.2
113.03066	0.6
115.62945	0.3
119.03389	2.2
119.04936	0.5
120.03661	0.3
125.02343	0.5
131.03416	0.6
141.01765	0.3
143.03432	1.3
145.02853	0.9
149.04518	0.6
155.03450	0.4
157.14647	0.3
159.02913	0.3
161.04495	2.6
161.09645	0.8
163.11133	0.4
175.03839	0.3
213.18777	0.3
227.03499	0.7
237.14897	0.6
239.07216	0.6
240.04346	0.6
249.06190	0.6
255.03020	0.9
265.18109	1.4
283.06070	0.6
284.03284	0.7
348.15262	1.8
357.22916	0.6
375.23822	0.6
385.22382	0.6
400.16556	0.4
427.23547	2.0
445.24646	2.8
469.24533	5.9
470.24747	0.5
487.25537	63.9
488.25919	8.5
488.32684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03731	0.1
55.01759	5.4
56.02086	0.1
56.16064	0.1
57.03326	11.0
58.00472	2.4
58.03659	0.2
59.01252	34.5
60.01596	0.3
61.32806	0.1
67.01755	1.0
68.99689	1.0
69.02950	0.2
69.03329	4.0
71.01255	100.0
71.04884	0.3
71.59166	0.1
72.01594	1.3
72.99187	4.2
73.02821	25.4
74.03174	0.4
75.00752	2.0
77.03869	0.2
81.03344	0.9
81.07000	0.1
82.79450	0.1
83.01260	24.3
83.04908	0.3
84.01598	0.3
84.02036	1.3
85.02826	67.2
85.99967	3.0
86.03162	1.2
87.00755	6.2
87.04391	0.7
89.02319	11.6
90.02664	0.3
93.03313	0.3
93.06976	23.7
94.07334	0.7
95.01265	13.8
95.04901	0.5
96.01636	0.2
97.02831	5.3
97.06458	0.4
99.00761	13.0
99.04424	0.4
99.08025	0.4
100.01068	0.2
101.02325	48.7
102.02663	1.0
103.03842	0.1
109.06471	0.4
111.00769	2.9
111.08045	5.1
112.01556	3.4
112.08389	0.1
113.02334	71.6
113.09578	0.1
114.02654	1.6
115.03896	1.2
119.03394	3.3
123.00756	0.2
123.08047	0.3
124.01555	2.6
125.02345	5.7
126.02706	0.2
127.07597	0.2
129.01823	1.6
129.09096	0.4
131.03404	0.7
135.08070	0.3
139.00272	0.4
141.01822	0.9
141.09117	0.2
142.02625	1.2
143.03410	8.7
144.03787	0.2
149.04462	0.3
155.14349	0.9
159.02899	7.1
160.03214	0.3
161.04472	29.8
162.04822	1.0
171.10199	0.4
179.05609	0.7
187.02345	0.2
197.15417	5.8
198.15759	0.4
205.03484	1.2
213.18553	14.4
214.18834	0.9
225.18387	0.3
241.08669	0.4
249.06238	0.2
255.19580	0.7
269.21332	0.3
279.23300	0.3
309.20786	0.5
313.27545	0.9
325.27570	0.7
327.21747	0.5
343.28540	3.2
344.28912	0.2
355.28543	0.3
357.22815	22.9
358.23160	2.4
367.28894	0.3
375.23880	8.2
376.24246	0.7
385.29697	0.2
397.29346	0.2
413.29160	0.6
421.29611	0.2
427.30588	2.1
428.31003	0.3
439.30783	0.6
440.31049	0.2
451.30606	0.9
457.31665	1.7
469.31714	1.3
470.32111	0.3
485.31055	0.2
487.32761	35.9
488.33078	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	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85102	0.4
55.01763	0.9
56.04837	0.4
57.03322	1.1
58.00470	0.9
58.88139	0.4
59.01252	100.0
60.01600	1.4
69.03351	0.7
71.01252	17.1
72.99191	1.9
73.02820	12.5
75.00761	1.5
76.51223	0.4
80.45089	0.4
83.01259	4.3
85.02825	5.3
86.03185	0.5
87.00768	1.2
89.02319	7.0
93.03355	0.4
95.01272	1.7
95.79128	0.5
97.02860	0.6
98.20559	1.0
99.00771	1.8
101.02325	12.4
108.54016	0.5
113.02328	7.7
119.03388	2.2
125.02302	1.1
129.01877	0.6
131.03404	0.5
137.36205	0.5
143.03416	1.0
159.02866	0.6
161.04448	2.2
161.09636	0.8
179.05568	0.5
183.14200	0.4
193.06522	3.4
209.11858	0.8
229.33278	0.4
237.15013	0.6
247.17064	0.5
249.06152	1.0
255.02888	0.6
265.18121	1.8
287.14026	1.6
307.19153	0.5
385.22629	0.8
409.22681	0.5
427.23163	2.7
445.24341	5.1
449.19894	0.6
469.24460	5.5
470.24982	0.8
487.25519	61.3
488.19043	0.7
488.25854	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01579	1.1
69.43312	0.8
69.43628	7.6
70.05046	0.8
71.01254	6.4
73.02832	3.5
75.21722	0.8
80.35365	0.7
85.02831	3.0
89.02342	1.7
94.53126	0.7
97.02839	1.3
98.20641	0.9
98.91904	0.8
101.02346	3.7
113.02342	6.2
138.06781	2.7
149.02287	1.3
151.07568	3.2
152.08369	6.3
153.09151	17.7
154.09412	1.1
161.04526	2.0
164.04720	1.4
165.09088	0.9
179.29352	0.8
205.12302	7.8
223.06216	1.4
223.13478	3.1
244.42583	0.7
271.03107	0.8
281.08850	1.4
367.17599	19.4
368.18076	2.8
385.18845	2.1
427.19876	5.7
451.72830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70851	0.2
54.28633	0.2
57.03311	0.3
57.31122	0.2
59.01254	100.0
60.01583	1.0
62.92822	0.2
63.43053	0.2
71.01255	4.9
72.99176	0.3
73.02818	2.3
83.01276	0.7
85.02828	1.5
87.00746	1.4
89.02321	2.8
95.01240	0.5
96.95942	0.2
97.02863	0.3
98.20576	0.7
99.00754	0.2
101.02329	3.7
101.56787	0.2
113.02345	3.7
119.03406	1.0
126.50802	0.2
131.03413	0.5
151.03925	0.6
153.09158	0.5
161.04478	1.4
179.05591	0.3
205.05029	0.3
223.13487	0.2
234.22510	0.2
237.11377	0.6
251.12729	0.2
297.13400	3.2
298.14053	0.3
308.78943	0.2
309.13602	0.6
313.03598	0.3
314.04559	0.3
315.14532	2.2
327.14468	1.0
349.16434	1.4
357.15558	2.9
358.16061	0.4
367.10950	0.2
367.17563	2.0
369.15588	1.1
377.28009	0.2
385.18872	0.3
409.18582	0.5
427.19748	0.8
438.14697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33564	1.2
59.01245	4.5
62.80819	1.2
71.01260	5.3
71.55872	2.1
71.56195	1.3
72.99174	1.3
74.02350	3.5
75.00734	3.0
81.25131	1.3
82.02868	1.4
84.04430	4.4
89.02300	3.0
98.02390	1.8
99.05472	1.3
101.02309	1.9
101.07099	2.9
102.05499	3.4
109.03957	5.3
115.17502	1.2
119.04897	8.8
125.03450	5.0
127.05025	23.6
127.05903	2.5
128.03436	10.9
145.05055	4.6
145.06087	100.0
146.04514	8.7
146.06406	2.4
149.60858	1.5
159.13593	1.3
163.03880	4.2
182.21547	1.3
324.67084	1.4
341.10977	6.0
349.20193	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07475	0.3
57.03315	0.9
58.00472	0.5
58.50199	0.3
59.01252	100.0
59.34407	0.3
60.01598	1.1
69.60301	2.2
71.01260	6.0
72.99185	0.5
73.02826	4.5
75.00746	0.6
75.67336	0.3
83.01281	1.3
85.02829	2.2
85.99836	0.3
87.00735	0.5
89.02320	4.0
95.01290	0.5
96.16881	0.3
97.06488	0.4
98.20526	0.5
99.00760	4.9
101.02328	4.5
101.17262	0.3
107.04926	0.3
108.88563	0.3
109.02820	0.4
109.17474	0.3
113.02325	3.0
119.03432	1.0
123.08052	0.8
125.02334	0.5
131.03436	0.8
143.03430	0.7
147.08040	0.3
149.02377	0.3
149.04474	2.4
149.05585	0.4
152.03458	1.6
155.03479	0.4
161.04485	1.8
163.11336	0.3
165.09198	0.6
179.05632	0.3
179.07101	0.4
187.11235	0.3
191.05551	2.0
203.05611	1.0
203.14404	0.6
205.12299	3.3
223.13339	1.9
237.11320	0.8
245.15697	0.4
249.06232	1.1
255.03098	0.6
265.14462	8.6
266.14966	0.7
267.07266	1.0
284.03305	0.5
285.04184	0.3
290.16815	0.3
299.01849	0.4
341.52841	0.3
427.19720	0.7
443.19327	0.4
445.17218	0.9
487.18411	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	487.1245
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01739	0.5
56.46207	0.3
57.03313	1.1
59.01253	14.1
61.98706	0.4
65.00200	1.7
69.03336	0.5
69.27208	3.1
69.27629	1.0
71.01252	8.7
71.35715	0.4
72.99191	0.8
73.02826	2.2
75.00737	0.8
75.03017	0.4
76.02279	0.4
83.01259	2.8
83.33881	0.3
85.02825	6.3
85.06469	0.4
87.00756	1.0
89.00190	0.6
89.02309	1.7
95.01255	1.1
96.95920	0.6
97.02817	1.8
99.00732	1.7
101.02322	4.1
111.08032	0.5
113.02333	5.9
115.25542	0.3
117.03356	0.7
121.02871	0.7
121.10136	0.5
123.58019	0.3
125.02328	0.8
132.02026	1.8
143.03423	0.8
149.99524	0.7
156.79926	0.4
159.02852	0.6
161.04453	1.3
165.01855	8.9
166.02220	0.4
167.04829	0.5
182.08240	0.4
183.04565	0.5
195.04410	1.7
196.05078	0.4
211.03970	3.9
212.04610	0.7
212.53792	0.4
213.18440	0.7
223.04044	2.1
224.04698	1.3
226.02640	0.6
236.15178	0.4
239.03470	8.9
240.04091	1.9
248.79234	0.4
251.16521	0.4
253.05046	0.4
255.03096	0.4
266.02194	0.7
267.02963	6.7
267.68210	0.5
268.03754	37.0
269.04181	3.2
281.04593	0.6
282.05334	10.1
283.06113	100.0
284.06464	8.4
343.28412	0.6
357.23019	1.2
375.23880	0.6
380.73532	0.4
387.23935	1.4
427.10837	0.4
444.10559	0.4
469.31647	0.5
487.12494	5.5
487.22882	2.6
487.32269	3.5
487.73468	0.6
488.23978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16447	0.4
50.23761	0.4
59.01253	0.8
65.36509	0.4
83.21915	0.4
88.03918	58.9
89.04260	1.2
95.99187	0.4
98.19731	0.7
131.46606	0.4
147.08049	2.2
149.09615	1.6
161.09619	1.0
163.11169	2.6
187.11188	2.4
195.12965	0.5
229.70258	0.6
279.14026	0.9
280.14682	1.2
307.17041	1.0
309.22235	2.0
321.18689	0.7
322.18942	0.6
337.21722	100.0
338.22076	13.3
382.27835	0.8
486.26962	8.7
487.27185	0.9
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
59.01257	0.4
60.99186	0.5
79.45302	0.2
80.19606	0.2
111.00848	0.2
115.03329	0.2
134.12146	0.3
166.18491	0.2
169.33765	0.2
182.49854	0.3
230.00752	0.3
327.36768	0.2
330.33179	0.3
393.68188	0.2
423.32770	6.9
424.33069	1.3
437.30743	1.0
438.31113	0.3
439.32169	7.5
440.32416	1.1
441.33826	0.6
450.60342	0.3
467.31720	7.9
468.31989	1.5
471.31305	0.4
474.92902	0.3
485.32736	100.0
486.33069	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	485.3274
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
57.03315	0.6
59.01252	0.9
63.55339	0.3
69.97997	2.2
100.61355	0.3
125.75288	0.4
267.67731	0.4
441.33740	43.9
442.34152	7.1
477.09592	0.4
485.32736	100.0
486.33099	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	485.3274
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
50.42570	0.2
60.99180	0.6
71.05779	0.5
72.14698	0.2
78.09649	0.1
85.24739	0.2
92.43483	0.2
93.71902	0.2
101.97696	0.2
213.67493	0.2
423.32697	8.0
424.33145	1.5
437.30872	1.3
439.32138	8.6
440.32483	1.7
441.33890	0.8
453.30377	0.3
467.31641	10.5
468.31921	1.8
471.31250	0.4
485.32721	100.0
486.33093	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	486.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	15.8
59.01251	42.9
60.67654	1.7
61.98684	3.6
65.03837	2.4
69.03317	4.9
69.54597	6.5
69.55024	8.2
71.01266	14.2
71.04874	3.1
73.02821	4.1
75.00727	2.6
81.03341	14.2
81.13905	1.8
83.01262	13.0
83.04893	1.8
83.17311	1.7
84.30763	1.7
85.02826	22.5
86.03156	3.9
87.00759	2.9
89.02322	2.4
93.03333	3.5
95.01246	3.4
95.04885	8.8
97.02832	8.1
98.20548	2.0
99.00735	2.3
99.04395	12.5
101.02322	7.0
107.04904	2.9
109.02830	7.0
112.00883	2.1
113.02354	5.8
113.05984	5.2
115.03877	16.9
116.20035	1.7
119.04922	2.5
121.02857	5.0
123.04411	7.0
124.01542	4.5
124.36063	1.6
125.02340	80.5
126.02705	2.5
129.01842	3.4
131.04924	2.0
133.02806	2.7
135.43375	2.0
136.03880	2.3
137.02348	43.1
137.06038	1.9
138.03018	3.3
139.03894	6.3
140.07034	2.8
145.02809	1.8
145.06422	3.0
146.03589	2.0
148.36198	1.8
149.02364	6.8
151.03903	4.1
159.04462	2.1
161.02341	2.5
161.04506	3.6
163.00266	5.5
164.01071	3.6
165.01843	32.9
166.02507	3.7
167.03419	100.0
168.03741	2.7
174.20175	1.8
176.07089	3.1
177.01845	10.6
177.09119	4.2
178.05000	4.2
179.03452	2.7
187.03976	2.8
189.09212	2.5
191.01898	6.9
192.02156	3.4
204.54076	1.9
205.05028	3.8
205.08725	9.7
205.12253	5.6
207.10179	3.2
213.05516	4.1
215.03397	3.1
215.07173	2.8
217.08691	2.2
227.03535	2.4
228.10237	2.4
229.08699	3.9
230.08095	3.4
239.07307	2.2
242.08215	3.6
246.11362	3.9
255.02979	2.4
257.08160	4.7
274.10767	6.1
275.05551	3.0
276.12411	2.5
283.06030	2.7
285.03961	3.0
286.10986	3.2
296.09543	2.3
296.12985	2.1
298.10767	3.0
301.07159	3.9
303.08813	2.3
308.09348	2.4
309.11368	2.7
311.12872	2.6
316.01089	2.0
318.09879	3.8
320.12476	1.9
324.08853	2.9
326.10312	7.3
329.10373	1.8
336.12613	2.3
337.10721	4.0
338.14285	3.4
344.07858	10.6
355.12152	10.9
373.12894	28.6
380.15329	4.5
396.14349	4.4
398.16226	2.8
406.13013	7.2
407.13605	2.0
412.13943	5.0
414.15656	2.4
424.13968	36.8
425.14111	4.2
442.15213	20.4
443.15762	4.9
468.12970	8.3
486.14209	26.2
486.24658	2.5
487.14197	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	485.203
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
55.01756	2.3
57.03324	12.8
59.01254	58.0
60.01593	1.1
60.65893	1.0
67.21468	0.9
68.99716	1.4
71.00893	1.5
71.01259	22.6
71.04868	1.7
71.58605	1.6
72.02043	1.2
72.99168	2.9
73.02818	14.2
75.00733	3.6
79.05372	1.7
79.46777	0.9
81.03316	1.9
83.01278	6.6
83.04892	2.8
84.02018	2.8
85.02827	100.0
86.03159	2.2
86.81316	0.9
87.00740	3.3
87.04360	3.3
89.02328	4.7
90.29498	0.9
91.50444	1.0
95.01239	1.6
97.02830	2.3
97.06463	1.6
99.00746	3.7
99.04392	2.8
101.02327	13.5
103.00239	2.1
109.02849	7.2
111.00744	3.9
111.04388	1.8
113.02365	6.3
118.28268	0.9
119.03362	1.6
119.08545	1.6
120.05647	1.5
120.45798	1.0
121.06450	2.1
125.02289	2.0
125.09576	4.3
129.01823	7.3
133.02820	1.1
134.03586	1.3
135.08040	1.4
136.01524	3.4
136.05222	6.8
137.02318	1.2
137.09621	1.2
139.07588	1.4
141.09145	5.4
143.03435	1.4
147.02921	14.8
147.07994	1.0
149.05966	1.6
149.09615	3.1
151.03879	3.2
151.07541	8.3
153.09068	2.2
161.04448	3.2
163.07535	2.4
164.08295	2.9
165.09122	3.0
166.06470	0.9
173.00764	1.9
175.07596	9.9
177.01772	1.1
185.09630	2.9
186.10338	2.8
189.05458	1.0
189.09117	1.3
189.12747	2.4
191.01903	32.2
191.14336	1.2
193.15839	1.5
200.80093	1.0
201.12823	12.7
202.13016	1.1
203.10757	4.6
204.11343	1.6
219.13867	29.1
220.14191	1.2
235.13293	1.4
237.14912	13.8
238.15138	1.5
245.11607	1.3
249.06090	4.5
255.02863	1.5
263.13074	6.2
267.07202	1.6
281.13983	2.2
357.13339	2.2
381.19226	1.4
399.20355	5.0
443.19101	5.1
467.11960	1.6
485.20166	58.3
486.20526	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	485.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03314	2.7
59.01252	46.9
60.46590	0.7
66.18316	0.6
69.66806	2.7
69.67227	1.6
71.01261	6.3
72.99153	0.9
73.02800	1.1
74.44117	0.7
75.00753	1.1
83.01241	0.9
85.02822	21.4
89.02309	2.8
97.02825	1.0
98.20632	0.8
99.04386	0.8
101.02331	2.9
107.04933	1.1
109.02801	0.9
111.04368	0.7
113.02343	3.6
119.03339	0.8
119.08537	0.9
121.06447	0.8
123.08020	0.9
125.06013	3.3
129.01836	1.7
134.38895	0.7
135.04424	1.4
135.08044	0.8
136.05211	3.3
139.07555	1.4
147.02890	2.6
149.06038	1.1
151.07524	2.8
152.08301	2.6
161.04420	1.1
161.09610	1.0
163.07544	1.3
185.09654	1.5
186.10320	1.0
189.09129	1.4
191.01866	5.6
201.12784	11.0
203.10722	5.5
204.11504	23.6
205.11855	1.1
219.13850	28.6
220.14171	1.5
228.11470	1.0
243.14023	0.8
245.11711	3.8
263.12875	100.0
264.13217	6.1
287.12878	3.9
305.13895	5.2
397.36142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91429	0.3
59.01254	100.0
60.01596	1.2
61.75006	0.3
62.89885	0.3
64.08797	0.4
70.32559	1.3
71.01266	0.5
71.04900	0.3
73.02815	0.5
89.17612	0.3
90.39335	0.3
98.20504	0.4
101.02377	0.4
105.92805	0.3
148.89153	0.3
160.01544	0.3
184.99928	0.3
249.18706	2.0
253.09532	0.3
366.43732	0.4
390.88409	0.4
441.31018	0.4
485.32870	2.0
486.32712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3271
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
59.01258	10.9
71.57613	1.7
83.04874	5.1
96.36353	1.4
111.00753	1.9
132.38512	1.4
247.89429	1.5
250.06242	1.2
391.30093	6.1
393.31644	100.0
394.31894	16.5
407.29749	1.8
425.30731	5.0
437.30493	14.5
438.30734	3.0
467.31735	14.3
485.32764	89.2
486.33069	18.6
488.59515	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	485.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03323	3.6
59.01250	11.3
61.98707	1.1
65.00203	0.4
69.40468	3.1
71.01261	6.1
72.99194	0.6
73.02823	2.7
75.00758	0.9
83.01270	1.7
84.02032	0.7
85.02824	27.5
86.03163	0.7
87.00741	0.6
89.02322	2.4
95.01261	0.4
96.95889	0.4
98.19749	0.7
99.00767	4.7
101.02331	3.6
103.00263	0.8
105.50789	0.4
107.01250	0.6
111.00785	1.2
113.02340	4.2
114.01878	0.4
125.02337	0.9
129.01834	2.4
131.03418	0.9
133.02890	0.6
134.03636	80.1
135.04369	4.9
136.04808	0.4
143.03459	0.6
147.02895	4.4
149.05989	100.0
150.06340	4.8
151.00259	5.8
161.02367	0.4
161.04350	0.6
173.00801	0.6
191.01918	9.4
191.05534	0.6
269.44312	0.4
287.05655	3.0
353.12445	0.5
375.77930	0.4
422.51013	0.4
443.15570	12.2
443.21738	0.6
444.15912	1.5
449.11011	2.1
450.11057	0.4
466.40881	0.3
485.16599	10.5
485.23511	1.0
485.73752	0.6
486.16574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75974	0.3
54.29896	0.3
69.62469	2.3
74.42924	0.3
78.95778	20.1
85.60413	0.3
88.29133	0.3
93.08792	0.3
96.96837	1.2
101.42828	0.3
123.14336	0.4
152.99496	31.5
153.99826	0.5
154.72565	0.3
171.00623	1.6
194.69676	0.4
211.35254	0.3
227.03198	4.7
245.04424	0.6
255.23271	100.0
256.23608	9.1
391.22723	0.8
483.27292	44.4
484.27609	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	484.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24207	0.9
58.02848	12.6
59.01257	5.4
66.82235	0.8
68.04953	0.8
69.43668	2.5
69.44092	6.0
70.02838	1.9
71.01239	1.9
72.00778	2.1
74.02345	27.7
81.04440	2.3
82.02864	3.6
82.92125	0.8
83.93199	0.9
84.04417	1.2
85.02834	1.3
86.02351	10.6
86.05988	1.7
86.99001	2.6
87.05531	7.5
87.99311	0.9
90.00082	1.9
95.28105	1.0
96.04436	1.6
97.03965	2.9
99.05518	24.0
100.00262	1.1
101.07110	4.7
102.05470	4.9
107.06045	1.1
109.03938	4.8
109.07568	1.7
111.05522	2.8
111.20261	0.9
112.03942	3.9
113.02318	1.6
116.01659	2.0
120.01114	1.6
123.05536	2.5
123.08028	2.8
124.03919	2.3
125.03481	2.5
126.01813	0.8
127.05074	4.6
128.03430	73.1
129.03783	2.3
129.99554	1.5
131.04524	1.3
135.05556	7.5
137.07123	1.9
141.06589	6.8
143.04533	96.6
144.04865	2.9
145.06105	4.3
146.04507	9.0
149.09621	1.0
153.06613	5.8
155.08220	1.3
160.00658	32.7
166.09760	3.4
167.04533	7.1
167.08228	3.0
170.03247	1.5
173.77605	1.0
177.03307	10.7
179.04556	21.5
180.04810	1.6
181.06084	2.8
184.10886	1.7
185.05606	5.1
192.07701	2.0
197.05655	4.5
198.08815	1.2
210.08786	21.9
213.03470	1.1
228.09953	2.2
231.04269	1.0
242.07883	3.8
254.07822	35.3
255.08127	1.7
272.08884	50.7
273.09174	3.6
288.06592	17.1
306.07657	100.0
307.07846	6.0
320.86807	1.1
382.34116	1.0
435.03647	1.0
484.21201	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	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01257	4.1
67.01764	2.3
71.01254	0.7
74.77562	0.4
75.00350	0.8
75.00746	8.8
85.02841	0.9
87.00753	6.2
89.02312	1.3
98.19770	1.0
103.00517	0.5
104.65950	0.5
111.00767	100.0
111.88068	0.4
112.01128	2.6
121.10137	0.6
135.02898	10.2
171.10184	2.0
173.00844	5.5
195.13870	1.2
223.13347	0.9
275.20206	4.7
289.34274	0.4
293.21222	21.8
294.21622	1.2
309.20743	1.1
372.73047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68712	0.3
56.80553	0.3
57.79112	0.3
67.21575	0.3
70.32446	1.4
75.83636	0.3
78.95776	7.8
79.62247	0.3
80.00401	0.3
88.20255	0.3
96.39556	0.3
96.96817	1.0
121.82478	0.3
128.43922	0.3
134.43575	0.4
152.99490	15.9
154.96861	0.4
171.00520	1.2
227.03180	3.1
245.04350	1.1
255.23268	100.0
256.23602	10.6
259.20468	0.3
483.27283	21.1
484.27557	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	482.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96090	0.6
59.01255	20.3
61.98686	2.5
64.07153	0.6
66.03337	0.9
68.99689	18.9
70.02871	0.7
71.01243	2.6
73.86105	0.6
81.02057	0.8
82.99980	3.8
83.01273	2.9
83.04889	1.8
85.02799	0.6
93.78688	0.5
94.02862	1.3
94.71973	0.6
96.99196	9.6
97.30124	0.6
98.02345	0.6
99.00762	5.1
107.03638	1.3
109.01576	15.2
110.02388	5.1
111.00701	0.8
111.03164	0.5
112.00269	1.2
113.01082	7.7
114.01850	1.9
122.02370	1.4
124.00270	2.4
126.01847	1.7
126.08695	0.6
128.03421	1.4
130.06508	2.4
135.03174	3.6
146.05995	1.1
158.05997	0.7
172.07553	0.7
173.03217	13.0
174.04225	0.6
175.06221	0.6
184.02426	1.0
186.04051	1.9
216.06645	1.4
229.64082	0.8
250.07254	1.0
251.07950	2.4
276.08804	2.0
297.17004	1.3
394.23938	2.8
422.23425	12.9
423.23587	2.5
482.25449	100.0
483.25726	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
73.84302	1.0
76.04292	0.9
78.95776	50.0
79.32081	1.0
80.69690	1.2
83.88996	0.9
96.96838	4.6
98.19816	3.4
98.63552	1.0
127.58476	1.0
145.08904	1.0
152.99490	75.9
153.23462	1.2
171.00546	23.1
199.23909	0.9
200.14418	1.0
202.94466	1.1
227.03214	4.5
229.52841	1.0
245.04285	100.0
246.04625	3.0
253.21719	57.2
254.22017	5.4
316.68365	0.9
333.91714	1.1
481.25671	27.8
482.25781	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83387	1.0
51.41450	0.9
54.86800	0.9
56.72887	0.9
70.14837	4.7
78.95775	63.8
96.96862	5.4
98.19888	1.2
100.40423	1.0
106.58849	0.8
117.61713	0.9
150.97922	2.1
152.99492	100.0
153.99846	1.0
160.32634	1.0
171.00539	14.6
227.03156	8.7
228.30371	1.0
245.04295	71.6
246.04558	1.8
253.21704	48.0
254.22044	4.4
271.43225	1.0
289.51962	1.0
481.25732	72.2
482.26083	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	482.2549
Annotation	Sczukitine
Peak:m/z	Relative Intensity
54.96090	0.6
59.01255	20.3
61.98686	2.5
64.07153	0.6
66.03337	0.9
68.99689	18.9
70.02871	0.7
71.01243	2.6
73.86105	0.6
81.02057	0.8
82.99980	3.8
83.01273	2.9
83.04889	1.8
85.02799	0.6
93.78688	0.5
94.02862	1.3
94.71973	0.6
96.99196	9.6
97.30124	0.6
98.02345	0.6
99.00762	5.1
107.03638	1.3
109.01576	15.2
110.02388	5.1
111.00701	0.8
111.03164	0.5
112.00269	1.2
113.01082	7.7
114.01850	1.9
122.02370	1.4
124.00270	2.4
126.01847	1.7
126.08695	0.6
128.03421	1.4
130.06508	2.4
135.03174	3.6
146.05995	1.1
158.05997	0.7
172.07553	0.7
173.03217	13.0
174.04225	0.6
175.06221	0.6
184.02426	1.0
186.04051	1.9
216.06645	1.4
229.64082	0.8
250.07254	1.0
251.07950	2.4
276.08804	2.0
297.17004	1.3
394.23938	2.8
422.23425	12.9
423.23587	2.5
482.25449	100.0
483.25726	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	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.8
69.30722	15.4
69.31152	3.5
69.31317	1.4
83.04891	2.3
98.20566	3.1
109.06426	2.3
152.99593	2.2
175.85117	1.7
203.14450	2.0
211.13332	14.1
213.14854	4.1
216.07341	1.6
231.17569	2.8
239.16478	4.4
241.17946	2.3
245.04295	2.9
247.13524	2.1
251.20230	2.3
275.16623	3.1
277.18283	1.9
302.39670	1.9
315.26941	4.0
325.25378	7.1
333.28134	2.4
341.24951	3.8
343.26465	8.0
351.23343	2.3
359.25775	8.8
361.27533	5.1
369.24298	10.8
377.26923	2.6
387.25400	41.8
387.30148	3.3
388.25748	5.2
405.26471	100.0
406.26736	18.5
479.30139	60.1
480.30743	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	481.0991
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.38835	3.3
57.03325	18.0
59.01244	9.7
63.02273	5.5
65.00192	3.6
70.91109	8.0
71.01292	3.0
75.00735	9.7
83.01261	7.6
83.94600	2.7
85.02802	3.2
85.13625	3.2
93.03316	3.9
95.01240	4.6
95.21799	2.9
97.02875	2.8
107.01279	6.6
109.02823	8.2
119.04921	6.3
121.02833	5.2
123.00787	5.7
124.01553	8.9
125.02344	99.6
137.02353	14.1
139.03937	14.1
145.02724	3.3
148.24350	2.8
149.02388	4.0
151.00243	28.4
152.00943	4.8
153.01851	26.8
163.03880	6.8
164.01071	4.7
165.01857	21.9
166.05385	3.3
167.03406	26.3
169.01323	4.9
176.01019	3.4
177.01724	3.1
178.99789	33.1
181.01244	2.9
187.03984	4.7
191.03476	14.5
192.90025	2.9
193.01355	100.0
194.01711	6.1
195.68140	3.0
209.99695	3.6
215.03342	5.4
227.03444	6.6
233.04526	11.5
255.02942	14.8
256.03671	3.6
257.04565	6.7
275.05588	9.7
283.02472	47.2
284.03125	4.9
300.02768	4.2
301.03491	19.0
319.08160	5.3
327.07150	3.8
355.06799	35.1
437.10699	4.0
453.10287	5.1
463.08783	55.0
464.09082	8.1
481.09705	38.0
482.09930	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58926	2.9
57.03323	4.4
59.01254	35.5
69.65168	9.1
69.65598	12.7
69.78270	3.3
71.01248	18.3
73.02818	6.7
75.00761	7.6
76.52878	3.0
83.01286	4.6
85.02830	10.9
87.00761	10.3
88.20496	3.0
89.02322	9.7
92.04140	3.2
98.20517	3.7
99.00771	4.1
101.02354	11.1
109.02874	10.7
113.02351	11.5
121.02850	13.9
122.03652	6.0
134.09039	4.1
137.02397	3.9
149.02364	40.2
150.03163	15.1
151.00366	3.3
161.04482	4.6
213.09268	3.8
227.03474	3.8
240.83389	3.6
241.08665	100.0
242.08995	6.2
249.06030	3.7
255.03119	9.8
259.09842	9.5
267.07266	10.6
283.92154	3.2
284.03287	14.7
307.17413	4.6
439.21796	7.8
481.15121	4.2
481.22311	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	479.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
58.00464	0.5
59.01254	100.0
60.01599	1.3
71.01257	10.6
71.58746	0.5
72.99191	0.7
73.02825	6.3
75.00780	0.3
78.95797	1.4
79.00254	0.4
81.25134	0.4
83.01279	1.8
84.74885	0.5
85.02811	2.1
87.00774	0.5
87.04401	1.8
89.02322	6.9
89.44116	0.4
92.49867	0.4
95.01286	0.6
97.02821	0.6
99.00810	0.5
101.02326	7.3
106.92110	0.4
107.63382	0.4
113.02333	6.2
119.03408	2.2
121.95948	0.5
131.03412	1.0
134.03734	0.6
143.03398	1.2
149.04449	0.5
161.04478	1.8
173.02370	0.4
179.05591	1.7
198.40100	0.4
239.03543	1.5
240.03922	1.7
241.04178	1.4
267.03061	1.4
268.03546	2.6
269.03925	2.2
270.04327	1.3
337.90631	0.4
419.24130	0.5
427.62720	0.5
437.25534	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	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.3
61.33800	1.4
64.70368	1.4
67.03786	1.5
67.83235	1.4
70.88993	1.5
71.12912	2.3
72.99187	1.6
74.02334	1.4
83.04893	3.2
91.03905	2.5
93.23945	1.5
96.94904	1.4
109.06468	2.4
111.08028	1.5
135.08081	2.6
137.09639	2.4
165.09105	1.5
211.13304	9.8
213.14925	2.8
221.15382	1.5
239.16432	3.0
240.17018	1.5
241.18164	4.2
265.18021	2.3
293.20813	1.6
315.26913	4.2
325.25342	6.4
333.28015	3.0
341.24716	4.6
342.25131	2.1
343.26453	8.6
359.25830	6.9
361.27411	7.0
369.24344	13.3
370.24689	2.1
387.25421	37.3
388.25711	4.5
405.26447	100.0
406.26788	13.6
430.41812	1.7
479.30142	57.1
480.30280	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
59.01253	38.0
69.03312	1.9
71.01259	12.0
71.04881	2.0
71.38660	2.2
73.02807	4.3
73.03927	2.1
75.00730	1.5
83.01256	3.0
83.04871	1.1
85.02810	4.6
87.00751	1.1
88.03918	4.0
89.02316	3.4
97.02789	3.1
97.06438	1.5
99.00758	15.7
101.02309	7.0
107.01276	1.8
109.02879	1.2
110.03569	1.6
113.02305	4.5
114.47976	1.5
115.00250	8.0
116.04878	1.4
123.04306	1.3
125.02329	3.5
125.09595	4.3
129.10249	3.0
129.88577	1.2
132.02911	4.3
146.05988	1.3
150.01971	1.2
150.03111	3.3
151.00269	11.0
155.14404	1.4
163.11168	6.7
164.07149	1.3
165.05493	2.6
167.03357	1.8
167.05664	1.7
181.12280	15.2
182.12662	1.4
186.12416	6.6
197.60374	1.3
199.13301	11.8
201.11301	1.8
207.08342	2.0
207.10194	26.1
207.13596	1.2
208.10384	1.8
209.11906	2.2
224.12686	1.6
225.11284	42.5
225.14702	2.5
226.11623	2.7
227.12857	8.5
241.13330	1.6
243.12335	33.9
244.12651	1.6
253.09216	1.6
269.13861	2.8
273.07657	1.4
281.08829	2.0
287.15039	34.0
288.15244	2.1
315.18295	2.5
317.06638	8.4
329.16168	2.2
333.19223	4.7
361.22156	4.0
363.20337	6.2
364.18771	10.1
389.18033	5.0
404.41626	1.3
437.20413	2.4
479.21252	100.0
480.21545	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	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01593	1.0
64.76498	0.3
71.01267	0.7
71.47870	0.3
85.02840	0.3
87.04398	4.2
91.54794	0.3
101.02395	0.4
243.61597	0.3
254.78403	0.3
301.74490	0.3
325.03662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01599	1.0
60.77602	0.4
61.73837	0.4
71.61294	0.4
78.48669	0.3
87.04391	8.1
94.42046	0.4
98.19841	1.1
105.12301	0.4
217.88364	0.4
236.86816	0.4
263.96512	0.3
293.21313	0.9
311.22128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53907	0.7
57.03314	1.9
59.01248	17.8
61.98700	0.9
65.00199	1.3
69.03318	1.0
71.01247	10.3
71.04880	3.4
72.99186	1.4
73.02816	2.8
75.00746	1.9
83.01247	2.4
83.04900	0.9
85.02827	4.4
87.00738	2.0
89.02301	6.0
95.01255	2.9
95.04911	1.3
96.63357	0.8
97.02832	4.9
97.06448	1.7
99.00755	23.0
101.02333	7.3
107.01259	0.7
109.02824	2.3
109.06483	1.4
111.00777	1.2
113.02329	5.6
119.03366	1.3
122.27998	0.7
123.00784	1.9
123.07994	1.4
124.01520	1.3
125.02325	10.1
125.09604	7.3
130.12575	0.7
135.08047	1.0
135.81993	0.7
137.02342	1.0
139.00266	1.0
142.02629	1.0
145.10133	0.8
151.00258	4.6
152.01051	2.8
153.01778	1.3
154.08655	2.1
161.04448	1.7
163.00281	1.2
163.11205	9.5
165.01802	1.4
170.87114	0.8
175.03908	1.1
175.26421	0.7
178.99777	2.0
181.12268	21.3
182.12589	2.1
194.99365	0.7
197.11708	1.1
199.13335	16.8
200.76874	0.8
207.10199	34.3
208.10524	2.1
209.11630	0.7
210.74246	0.6
225.11267	56.1
226.11629	3.5
227.03365	1.6
227.12820	1.4
243.12347	40.1
244.12727	2.7
249.06073	1.4
253.09277	3.9
255.02943	1.9
267.07239	3.1
284.03183	2.8
285.03784	0.9
287.14890	4.2
289.07156	5.5
299.01926	1.3
299.05408	1.0
317.03128	1.6
317.06610	6.0
317.16016	2.8
318.07062	1.1
342.96259	0.8
389.18240	0.8
437.20111	0.8
461.20020	0.9
479.12210	9.6
479.21320	100.0
480.12537	1.8
480.21738	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.3
57.03331	3.3
59.01255	100.0
69.03328	1.4
71.01258	34.1
71.04897	1.7
71.58100	1.8
72.01574	1.0
72.99201	3.0
73.02821	17.0
75.00757	4.4
83.01252	5.6
85.02826	20.2
87.00780	2.5
87.08235	1.0
89.02315	9.3
91.00269	1.3
95.01273	3.3
95.04936	1.2
97.02840	1.5
97.54658	1.0
99.00765	12.3
99.04424	1.6
101.02327	20.3
105.01841	1.4
108.02073	1.3
109.02856	2.4
111.00749	1.9
113.02332	18.9
113.03055	1.4
114.01830	1.2
119.03392	2.0
119.07469	1.1
123.04443	1.0
124.55657	1.1
125.02349	9.7
126.27522	1.1
131.03450	1.8
137.02353	2.3
143.10703	5.9
145.02849	2.0
147.00781	2.2
148.01460	1.5
149.04564	1.7
151.00294	4.7
153.01859	3.5
155.03477	1.1
159.02905	1.9
161.02396	1.0
161.04494	9.0
162.03177	3.2
163.00282	2.0
163.03978	1.7
167.10732	1.4
177.09212	1.8
178.99826	1.2
179.07024	1.8
199.13412	1.3
203.46883	1.0
220.06119	1.2
239.12888	1.3
249.06206	2.2
253.09337	1.2
255.03136	2.0
267.07266	3.5
271.02579	3.1
287.15060	2.8
299.02051	1.9
299.09171	10.7
300.02768	2.8
305.16046	14.5
306.16348	1.6
316.02176	1.1
317.03076	4.7
317.06702	3.5
347.17056	6.7
361.22842	1.4
386.44470	1.0
419.19388	3.0
437.20282	36.3
438.20892	4.2
465.44604	1.1
474.87320	1.2
477.00497	1.2
479.07867	3.1
479.21475	34.8
480.21875	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	479.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91192	0.9
57.03315	1.2
59.01250	10.2
69.26487	11.4
71.01274	1.0
78.95783	8.7
91.01768	29.5
95.01276	2.6
99.08016	0.9
107.66479	1.0
108.02044	8.5
109.02857	2.3
110.98420	4.2
121.02878	1.8
123.04436	1.9
129.09081	1.0
133.02861	10.5
134.03636	33.9
134.04657	2.0
135.00786	26.8
135.04424	77.9
136.04761	3.4
139.11179	1.1
148.01564	18.0
153.01845	38.7
154.02205	1.5
155.04959	2.0
159.48477	1.0
161.02325	7.1
164.04657	1.4
167.01094	3.9
169.06531	3.2
169.12277	1.1
171.04472	1.4
171.10239	4.9
176.04640	1.7
177.01973	1.1
179.03432	3.6
179.07018	1.1
180.00591	20.9
181.12253	2.1
183.04413	3.3
185.02196	4.5
185.05898	1.0
186.03162	1.3
192.04185	1.0
194.05791	2.8
195.04283	1.2
196.05251	1.9
197.06029	3.4
197.11806	2.9
198.03270	1.2
199.03966	6.6
199.13338	1.3
201.01736	1.4
201.05490	8.0
209.08142	5.1
211.13382	6.4
213.05540	2.7
216.03035	0.9
223.43793	1.0
224.04721	2.2
225.05499	6.0
226.02754	1.8
226.06094	1.5
227.03465	12.9
241.04987	9.9
242.05984	1.4
251.03552	2.3
253.05144	2.8
253.85435	1.0
254.02211	2.0
258.34601	1.2
269.04556	100.0
270.05286	54.7
271.06097	33.7
272.06458	2.3
284.07343	1.1
285.07666	2.7
293.21298	7.2
311.22278	42.1
312.22333	2.0
414.25635	1.1
449.12421	2.6
461.12518	2.3
479.13721	6.7
479.24094	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	479.1191
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
55.01750	1.6
57.03322	7.7
58.44529	1.4
59.01254	42.7
63.02272	3.2
65.00203	4.7
67.01773	1.7
69.03337	2.0
69.53931	3.7
69.54350	8.0
71.01257	23.9
72.99170	5.6
73.02819	12.8
75.00743	6.9
83.01270	8.0
85.02833	12.3
87.00753	4.3
89.02338	13.1
95.01263	14.6
99.00764	31.2
101.02350	9.9
107.01278	6.5
109.02856	3.7
111.00767	6.4
113.02348	17.3
115.00282	2.2
119.03384	2.2
121.02866	1.7
123.00770	8.7
124.01576	17.3
125.02345	58.1
126.02684	2.5
129.01794	1.6
131.03406	3.2
137.02351	5.0
139.00272	6.2
149.02431	3.2
149.04472	7.9
151.00282	19.8
152.01065	27.3
153.01788	5.3
157.08618	5.2
161.04453	4.5
163.00302	2.3
163.04007	1.5
165.01866	6.5
166.99724	2.1
169.01392	3.6
175.02400	2.6
175.03896	3.5
178.99803	14.7
181.12231	7.0
188.04808	2.9
191.01967	1.8
191.05553	10.1
192.04259	2.1
199.13399	3.4
201.05534	1.9
203.05563	4.6
207.06601	4.0
211.13362	9.5
214.06262	2.4
227.03456	4.7
229.14421	12.5
230.05891	2.5
231.06592	5.1
249.06125	6.3
255.02965	5.6
256.03732	2.0
258.05325	3.2
271.02536	2.1
273.04056	3.1
273.07715	6.5
274.04797	6.9
284.03186	7.1
289.07205	56.2
290.07553	4.4
299.05542	14.8
317.03146	5.3
317.06638	48.5
318.07025	4.2
361.22531	2.1
437.20261	6.9
441.34851	1.8
479.11923	100.0
479.21286	40.1
480.12524	12.8
480.18869	2.0
480.21646	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	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.4
59.01254	10.5
63.02280	1.9
65.00192	2.7
71.01246	6.3
71.56883	2.9
71.75223	1.6
72.99170	1.9
75.00780	1.6
81.03327	2.6
83.01266	5.8
87.00782	2.0
89.02306	4.2
95.01253	7.9
101.02321	3.2
107.01260	7.1
109.02828	2.5
113.02334	4.7
115.00310	1.9
123.00770	3.6
123.04429	1.9
124.01555	8.4
125.02342	33.7
137.02319	6.8
139.00241	1.9
139.03856	2.4
148.24632	2.1
149.02332	2.3
151.00270	20.0
152.01044	14.2
153.01874	10.0
163.19823	1.7
163.32484	1.6
165.01854	3.5
169.01315	3.5
175.00325	3.5
176.01099	3.2
178.99773	23.0
181.01370	2.3
187.04013	2.3
188.04677	2.3
205.04956	2.2
230.05725	9.3
231.06575	1.7
245.08167	5.6
256.03540	2.2
273.07706	2.8
274.04816	7.4
289.07181	100.0
290.07574	6.4
299.01999	2.7
313.07162	29.7
317.03009	5.2
317.06537	31.5
331.08264	9.4
343.07996	3.3
419.23123	2.7
433.11597	3.0
451.12512	27.2
452.12521	3.6
479.11874	5.9
479.17719	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	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74519	0.6
59.01240	0.6
62.96227	0.6
67.31293	0.6
71.57417	0.9
78.46679	0.6
78.95781	41.5
82.30695	0.7
96.96838	2.5
116.87669	0.6
122.00066	0.9
140.01079	4.4
152.99486	5.3
171.00583	4.9
185.60220	0.7
196.03752	9.4
205.29141	0.7
211.13499	0.8
214.04796	2.0
256.24106	0.7
281.24863	100.0
282.25174	8.8
284.16718	0.7
286.93317	0.7
354.52057	0.7
478.29395	34.2
479.29565	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26551	0.3
78.95779	13.1
83.76174	0.3
96.96851	0.8
103.63457	0.2
112.56829	0.3
140.01109	1.9
152.99493	2.5
171.00565	2.0
196.03716	1.4
210.85321	0.3
214.04794	2.7
229.66081	0.4
245.04118	0.4
251.20192	0.4
281.24857	100.0
282.25208	10.4
307.49753	0.3
411.83575	0.3
478.29376	12.0
479.29977	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	477.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56168	0.9
55.01768	1.6
55.96643	0.9
57.03326	2.8
59.01253	100.0
60.01577	1.3
63.02253	1.9
65.00185	5.1
66.00519	1.5
69.68449	6.1
71.01253	30.1
72.99179	1.7
73.02811	7.9
74.59795	0.9
75.00739	2.4
79.42737	1.0
83.01259	8.1
85.02830	11.5
87.00774	1.5
89.02332	10.3
93.03333	5.9
94.03646	1.7
95.01279	2.8
96.00192	1.0
99.00774	5.3
101.02324	17.5
107.01275	6.3
108.01630	2.8
109.02873	2.5
113.02313	12.7
119.03464	5.9
119.04913	20.0
120.05270	8.2
121.05472	2.0
125.02335	4.3
137.42203	0.9
139.40056	1.0
143.03430	2.9
151.00276	21.9
152.00627	9.8
153.00702	5.8
159.02948	3.0
161.04471	19.4
169.01318	1.8
177.01881	1.9
178.02280	1.0
179.05559	1.5
184.05188	1.7
198.00400	1.2
200.25977	1.2
211.03993	2.0
227.06927	1.4
240.04211	2.3
255.06709	6.1
255.19586	1.6
271.06091	26.0
272.06424	24.5
273.06674	31.8
274.06927	1.9
300.02487	1.7
315.08133	1.8
417.24948	30.4
418.25391	3.6
477.14124	4.9
478.23068	2.0
501.97272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2858
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
57.03311	1.8
59.01254	4.6
65.03823	1.5
68.76746	0.4
69.03315	2.0
71.01242	1.5
71.04873	1.4
73.02821	0.8
81.03342	0.9
83.04903	8.3
85.06460	3.5
91.05412	1.5
93.03338	1.4
95.04939	2.6
97.06467	3.9
105.06972	1.1
106.04102	0.8
107.04910	2.0
107.08564	0.7
107.47769	0.6
109.06494	3.5
110.98360	0.6
111.04372	1.2
111.07386	0.7
111.08056	7.6
115.69952	0.5
119.04903	2.3
119.08574	0.9
121.06495	1.3
123.08047	2.0
125.09627	8.8
127.11193	1.2
133.06503	1.0
133.10133	0.9
135.04468	0.6
135.08089	1.3
137.09613	2.3
139.07538	0.8
139.95682	0.6
147.08046	0.8
149.09596	0.8
151.11157	1.1
153.09125	1.2
159.08061	0.9
159.11761	0.7
163.11203	0.6
163.78688	0.5
171.10188	100.0
172.10513	4.6
175.11198	0.7
183.13901	0.6
185.11722	1.3
187.14827	2.3
189.12772	1.3
193.12198	0.5
201.12915	0.6
203.14369	1.4
205.15915	5.5
206.16377	0.6
207.13771	0.7
209.11798	7.0
211.13329	10.3
213.12837	1.3
215.14322	4.1
221.15410	4.0
222.43524	0.5
227.18048	0.8
230.16856	0.6
231.13885	8.7
232.14233	0.6
233.15424	12.4
234.15788	1.0
235.13313	1.2
237.15114	0.8
239.16507	0.7
245.19228	0.5
247.17041	1.9
249.14932	48.6
250.15309	3.0
251.16341	0.6
257.17413	0.8
261.18555	0.7
263.16467	1.0
265.18140	0.8
271.17154	1.2
291.16214	0.8
291.19385	0.5
295.23010	0.7
301.03702	0.6
305.17609	2.8
308.16483	0.9
309.20889	0.6
313.25549	1.0
323.18604	0.7
323.23840	1.2
331.26544	1.9
339.23355	1.2
341.24850	4.0
357.24411	1.8
359.25888	2.7
367.22690	4.0
368.23029	0.7
375.25449	5.3
385.23868	14.9
386.24341	1.7
399.25598	0.7
403.24884	20.0
404.25299	2.2
430.14709	0.6
431.28049	0.8
441.26596	2.3
442.27051	0.6
449.29269	1.5
459.27499	39.5
460.27701	4.6
477.28714	37.1
478.29010	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	477.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01991	1.0
55.01747	2.0
57.03308	3.0
59.01253	62.5
69.03313	4.1
69.41506	9.2
71.00896	1.8
71.01253	20.4
71.04890	2.6
72.99158	1.8
73.02821	10.8
75.00720	3.0
83.01235	4.5
85.02825	7.5
87.00751	6.4
89.02326	8.9
91.01764	1.9
93.03325	1.0
95.01243	1.7
95.04882	1.4
96.95863	1.5
97.02811	1.5
98.16524	0.9
99.00739	2.2
101.02331	15.8
107.01279	1.2
108.04441	2.0
109.02799	5.1
113.02346	5.4
113.93291	0.9
115.00250	1.8
119.03365	2.0
119.04924	10.2
121.02828	2.7
121.60444	1.0
122.05956	1.2
123.00813	1.1
123.04374	1.5
125.02291	4.5
125.09532	1.6
129.27467	1.0
133.02818	1.3
134.05960	3.9
135.00706	3.1
145.02817	1.4
147.04456	1.5
147.68193	1.1
149.02353	15.4
150.02979	2.0
150.05435	2.6
151.00266	2.1
151.11180	2.3
153.01776	3.8
153.12727	1.9
161.04395	4.3
161.09573	3.9
167.03317	2.6
175.02350	2.9
175.03841	1.1
179.10703	8.2
197.11769	100.0
198.12009	4.8
201.01852	1.2
211.13255	2.9
213.14781	1.3
223.09572	1.8
225.18523	1.1
241.10767	8.2
241.14366	4.6
243.02840	1.2
249.06203	1.5
253.09222	6.2
255.06607	12.1
255.11191	2.6
263.41446	1.1
267.12177	1.0
268.03656	2.1
269.04547	2.7
271.02454	16.8
272.02972	3.7
297.12241	1.8
299.01932	16.4
300.02692	21.4
301.03183	4.9
314.04169	2.1
315.05136	20.6
315.17960	1.5
316.05252	1.7
329.02972	1.6
349.03336	1.3
357.18909	1.1
371.09894	5.0
392.99536	1.2
394.49930	1.2
406.75592	1.0
417.20987	2.1
431.09741	1.9
435.22137	2.4
459.18158	3.0
462.07468	2.6
463.08322	1.1
477.09021	9.9
477.19525	84.5
478.19937	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45331	2.1
57.03328	5.2
59.01254	59.2
65.00197	2.3
69.39027	19.3
70.49469	2.0
71.01251	16.5
72.99191	3.2
73.02817	5.5
74.42776	1.9
75.00755	5.0
83.01255	5.4
85.02830	9.2
87.00756	58.7
87.04411	2.4
88.22146	1.9
89.02334	6.7
91.81484	2.5
92.97821	2.0
95.01250	3.2
95.04928	2.9
96.95937	3.1
97.02866	2.1
99.00758	5.6
101.02334	7.2
107.01231	3.0
109.02872	3.2
109.06470	3.7
111.04436	3.4
113.02331	12.5
115.00240	2.2
115.78662	2.1
121.02842	3.0
121.06439	2.7
123.04400	3.9
125.02298	4.6
128.75526	2.2
129.01805	12.1
137.02321	3.6
138.01859	6.4
139.02231	6.2
140.02397	3.3
141.64961	2.3
145.02837	3.0
147.02882	5.7
147.08037	2.3
148.01648	2.3
148.77390	2.1
149.02396	2.6
151.00272	11.2
161.04518	4.1
165.12762	5.2
167.03395	10.1
178.99799	3.0
183.13872	5.1
191.55902	2.2
209.12004	2.6
211.13341	100.0
212.13704	4.3
213.14879	14.9
217.12262	2.8
223.13318	9.7
235.13391	9.8
237.15060	2.8
239.12828	2.5
241.14415	56.6
242.14711	5.7
242.54149	2.1
249.06139	3.5
251.12833	10.7
253.14420	8.8
255.06801	2.9
259.13235	3.9
263.12918	15.9
267.07278	8.8
269.14053	2.6
271.02402	4.4
273.07822	2.7
281.13968	3.6
285.14346	2.8
285.17065	14.9
300.02744	8.7
301.03467	16.9
315.05106	5.6
315.18103	25.1
326.66641	2.3
337.16519	9.5
338.16986	2.6
343.17636	11.3
355.17578	12.6
359.21207	2.5
415.19662	10.0
446.12808	2.6
477.10300	5.7
477.19455	8.7
477.24493	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99889	0.4
55.01759	1.0
55.99229	0.4
57.03323	2.9
57.46461	0.4
58.00488	0.7
58.95832	0.4
59.01257	14.3
64.82034	0.4
67.01765	1.2
68.99677	0.9
69.03335	1.7
69.50819	1.8
69.51244	1.9
69.82687	0.5
71.01256	18.2
72.99187	6.0
73.02830	1.2
75.00749	15.2
77.14503	0.5
81.03302	0.5
83.01260	0.7
83.04874	0.4
85.02826	18.1
87.00742	6.2
89.02323	3.4
93.03341	0.5
95.01254	4.0
99.00763	10.4
101.02309	0.8
103.00277	1.8
109.02827	0.5
110.77647	0.5
111.00804	0.7
111.08033	1.5
113.02336	17.6
114.02698	0.5
115.00253	1.9
117.01824	1.8
125.02350	0.4
129.01825	1.9
139.00258	0.6
157.01337	1.7
158.95807	0.5
165.12766	11.5
166.13094	0.5
175.02417	3.1
183.13844	100.0
184.14166	5.9
189.04004	0.6
205.07098	1.1
209.11740	2.1
227.12810	8.9
231.05066	0.9
249.06111	12.9
249.08524	0.9
250.06577	0.5
267.07220	8.8
301.16602	6.5
302.16937	0.5
415.19763	6.1
416.19867	0.6
433.20660	0.8
459.18741	3.7
477.19766	89.0
478.20139	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05825	2.0
51.22087	1.7
57.03321	5.5
59.01254	65.0
60.86029	2.0
64.37650	2.0
69.03321	1.8
69.64629	14.5
71.01254	24.1
72.99182	12.8
73.02827	4.3
75.00757	19.2
78.12241	1.8
79.05354	1.9
85.02814	21.3
87.00745	8.8
89.02317	11.3
91.00251	6.0
93.03355	2.3
95.01272	4.5
97.02813	4.0
99.00762	12.7
99.04389	2.5
101.02351	5.5
103.00225	1.9
109.02818	3.4
109.06468	3.1
111.00758	2.2
111.04389	2.0
113.02325	30.3
115.00283	1.9
117.01831	3.2
119.08521	2.3
122.03619	2.9
124.05177	5.1
125.02245	2.4
125.05991	3.3
137.05943	3.8
139.07542	28.6
143.03444	2.5
149.02283	2.4
150.03128	7.7
151.00299	8.5
153.01851	2.7
165.05463	5.1
165.12764	9.9
166.02626	5.6
168.07825	6.4
169.08614	4.1
175.00243	2.0
181.04950	8.5
187.11189	6.2
195.06563	3.3
205.12314	13.6
209.11766	4.4
227.05707	2.5
227.12825	44.4
228.13298	2.4
235.13383	3.0
249.06139	24.9
249.11299	2.4
267.07217	15.3
271.02640	2.0
279.12387	38.5
319.94568	2.1
341.05069	2.3
367.09537	1.9
477.19812	100.0
478.20135	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	477.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	12.1
71.01260	5.5
71.56416	1.5
71.56851	2.5
72.99161	3.2
75.00751	29.7
76.92380	1.7
87.00742	1.7
87.92062	2.0
89.02317	7.5
92.20008	1.9
92.73954	1.7
96.95877	3.4
101.02332	3.2
107.06811	1.7
113.02288	2.1
117.01830	3.4
119.03369	2.6
119.35258	1.6
133.04945	4.2
135.02895	100.0
217.65125	1.9
221.04565	2.0
232.59190	1.7
249.04028	4.3
267.05206	2.7
341.10730	3.6
387.09402	3.8
477.12415	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52785	0.7
55.01756	1.6
57.03335	3.9
58.00474	0.9
59.01254	27.2
64.63178	0.8
67.01787	1.1
69.03313	1.5
69.25957	6.1
69.26375	2.0
70.02841	1.6
71.01256	24.8
72.99175	6.2
73.02803	2.8
73.88703	0.7
75.00357	1.2
75.00749	15.9
81.37225	0.7
83.01223	0.9
83.04884	1.8
84.02052	0.9
85.02825	25.0
87.00754	9.2
89.02316	7.6
95.01252	3.2
98.76747	0.7
99.00764	11.1
101.02304	2.4
103.00236	2.1
111.00767	0.9
111.08047	1.7
112.49892	0.8
113.02329	30.1
114.01830	5.4
114.02586	1.4
115.00238	2.4
117.01797	1.8
122.33908	0.7
129.01807	1.9
131.03360	1.1
141.01027	3.2
147.20331	0.7
151.03874	3.0
157.01323	1.2
159.71964	0.8
165.12759	12.0
175.02391	3.2
175.05948	0.8
183.13832	76.5
184.14182	4.9
185.60918	0.8
193.03456	1.2
205.07120	1.9
209.11731	1.9
223.08189	0.8
227.12862	7.2
231.05014	1.3
249.06110	8.1
252.83440	0.9
255.15919	1.0
267.07217	29.1
268.07489	1.2
288.19684	8.0
301.16599	6.1
359.23071	1.3
404.71448	1.1
415.19730	6.9
433.20370	1.4
447.22668	0.9
459.18536	3.4
477.19659	100.0
477.72778	1.1
478.20050	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28294	1.1
54.77827	0.9
56.39136	1.0
57.03331	5.6
59.01251	36.7
60.01590	1.3
61.98696	1.2
65.00190	2.6
69.93812	6.8
71.01259	9.9
72.99208	1.8
73.02817	2.9
75.29620	1.1
75.72056	1.2
81.03304	1.3
83.01265	6.3
85.01369	1.0
85.02825	6.3
87.00756	2.2
87.37228	1.2
89.02319	3.0
93.03335	3.3
96.95856	2.2
99.00734	1.1
101.02325	5.0
107.01282	4.7
113.02319	3.5
119.04908	9.5
120.05269	5.2
121.02901	1.9
123.04451	1.2
124.01588	1.3
125.02338	45.0
126.02740	1.6
148.01541	1.9
149.02351	2.4
151.00272	10.3
152.00659	2.3
153.00734	2.7
161.04462	2.1
163.03871	2.0
168.33217	1.1
169.01292	1.3
170.01804	1.4
177.01912	1.9
183.13809	1.2
197.11728	1.6
209.91414	1.2
212.69867	1.2
227.12688	1.8
243.02699	1.5
255.02934	2.0
271.02451	3.6
271.06079	9.8
272.03238	12.5
272.06454	7.7
273.06656	11.3
299.01978	3.3
300.02756	81.3
301.03125	7.2
314.04169	1.6
315.05106	100.0
316.05429	11.6
357.06158	1.9
366.50000	1.3
380.33817	1.3
417.24930	1.8
477.09924	7.5
477.19653	3.7
478.23154	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	477.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01253	12.8
59.25923	0.6
66.31969	0.5
69.36064	1.8
69.36486	3.7
70.82878	0.5
71.01260	5.0
72.99200	0.5
73.02831	1.8
75.00751	2.6
77.34475	0.6
78.95789	0.6
83.01285	0.7
85.02820	2.6
87.00777	0.7
89.02347	1.7
91.01810	2.0
95.01297	0.6
98.19753	1.0
99.00777	1.3
101.02341	2.5
104.02590	0.7
110.98459	0.9
113.02324	1.9
131.01318	1.2
131.03426	1.1
132.02072	9.3
132.86154	0.5
133.02812	1.3
133.88698	0.5
135.00790	3.4
150.03204	1.1
151.03880	0.8
152.81926	0.5
153.01845	1.9
155.04866	0.8
159.00816	2.3
161.02382	1.5
162.03145	1.0
165.05522	2.3
167.04904	1.6
176.04698	0.7
176.25458	0.6
179.03462	3.4
180.04208	1.9
183.04454	2.8
184.05164	2.5
194.05820	2.8
195.04469	4.6
195.06567	7.8
196.05061	0.6
197.11818	0.7
205.07124	1.1
209.08147	2.0
210.03188	1.0
211.03961	16.8
212.04526	2.3
223.03961	3.3
224.04724	1.7
227.46809	0.5
239.03473	96.4
240.04085	16.6
241.04755	1.0
251.03439	2.7
265.05026	2.2
267.02985	100.0
268.03729	80.4
268.17532	0.6
268.67743	0.9
269.04254	7.5
281.04608	0.7
282.05179	3.4
283.06152	3.3
291.19690	0.7
297.04080	1.3
309.20728	3.3
372.70975	0.6
429.06186	0.8
431.07864	0.8
435.29572	0.6
447.10785	2.0
448.11832	0.5
459.10910	4.0
467.72775	0.7
468.23907	0.7
469.33054	0.8
476.23367	2.0
476.73599	8.7
477.12085	11.0
477.23703	7.1
477.74405	1.3
478.11981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	CHEBI:75758
Peak:m/z	Relative Intensity
51.28294	1.1
54.77827	0.9
56.39136	1.0
57.03331	5.6
59.01251	36.7
60.01590	1.3
61.98696	1.2
65.00190	2.6
69.93812	6.8
71.01259	9.9
72.99208	1.8
73.02817	2.9
75.29620	1.1
75.72056	1.2
81.03304	1.3
83.01265	6.3
85.01369	1.0
85.02825	6.3
87.00756	2.2
87.37228	1.2
89.02319	3.0
93.03335	3.3
96.95856	2.2
99.00734	1.1
101.02325	5.0
107.01282	4.7
113.02319	3.5
119.04908	9.5
120.05269	5.2
121.02901	1.9
123.04451	1.2
124.01588	1.3
125.02338	45.0
126.02740	1.6
148.01541	1.9
149.02351	2.4
151.00272	10.3
152.00659	2.3
153.00734	2.7
161.04462	2.1
163.03871	2.0
168.33217	1.1
169.01292	1.3
170.01804	1.4
177.01912	1.9
183.13809	1.2
197.11728	1.6
209.91414	1.2
212.69867	1.2
227.12688	1.8
243.02699	1.5
255.02934	2.0
271.02451	3.6
271.06079	9.8
272.03238	12.5
272.06454	7.7
273.06656	11.3
299.01978	3.3
300.02756	81.3
301.03125	7.2
314.04169	1.6
315.05106	100.0
316.05429	11.6
357.06158	1.9
366.50000	1.3
380.33817	1.3
417.24930	1.8
477.09924	7.5
477.19653	3.7
478.23154	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	477.104
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03312	0.6
59.01254	12.2
63.02278	0.5
65.00191	0.4
70.34737	0.7
71.01268	3.5
72.99192	0.3
73.02817	1.5
75.00737	0.9
83.01268	1.1
85.02818	1.8
87.00758	0.4
89.02322	1.3
90.36811	0.3
95.01261	0.4
96.95882	0.6
99.00770	0.5
101.02338	2.2
107.01258	1.2
113.02333	1.3
119.03370	0.3
119.04900	1.2
121.02805	0.3
125.02346	1.3
133.02832	0.5
145.02834	0.7
149.02309	0.4
149.05998	0.4
150.03140	0.5
151.00264	4.2
153.01808	0.8
159.04448	0.3
161.04471	0.5
163.00255	0.3
164.01089	0.5
165.01898	0.4
169.01315	0.6
171.04422	0.9
175.03885	0.8
178.99825	0.6
179.01572	0.3
183.04416	0.5
187.03923	0.6
188.04733	0.3
189.01906	0.5
197.11743	3.8
199.03937	5.8
201.01854	2.4
202.02678	0.4
203.03436	1.2
204.04117	0.7
205.04881	0.4
214.02719	0.3
215.03439	5.0
219.24138	0.3
225.01846	0.4
226.02655	0.7
227.03447	5.2
228.03947	0.5
229.01427	0.8
241.01387	0.6
241.10748	0.5
242.02176	13.3
243.02963	53.0
244.03285	3.6
253.09470	0.4
255.03008	1.5
255.10263	0.8
256.03500	0.6
257.04550	14.4
258.04883	1.2
270.01697	14.6
271.02472	55.3
272.02844	5.1
273.11261	0.9
283.02454	0.3
285.04047	29.0
286.04706	10.9
287.05356	1.1
299.01965	11.6
300.02740	10.0
301.03067	0.8
313.03641	0.4
314.04324	57.3
315.04999	19.0
316.05307	1.0
357.06201	1.6
387.07581	0.4
394.58362	0.4
435.17004	0.4
449.10831	0.3
477.10388	100.0
478.10739	14.1
478.25284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01587	1.0
61.54342	0.4
69.03328	0.3
71.01258	5.3
73.02824	5.2
73.76958	0.3
83.01267	1.3
85.02844	1.5
87.00774	0.5
89.02312	2.3
101.02322	5.1
113.02323	2.5
119.03413	0.8
120.12516	0.4
125.02365	0.5
143.03436	0.8
149.04543	0.4
161.04483	1.1
179.05606	0.4
227.07062	0.5
271.06250	0.6
305.57571	0.4
384.94446	0.4
415.23840	0.9
422.09763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43601	0.4
53.78131	0.3
59.01249	0.5
63.38892	0.4
69.26034	3.0
69.26458	1.3
71.10576	0.4
78.32279	0.4
78.95778	21.9
96.96831	1.1
98.19816	0.7
140.01120	2.2
152.99483	3.5
156.53914	0.4
168.10912	0.4
171.00540	3.2
196.03856	1.0
214.04907	2.3
228.28662	0.4
261.21991	0.5
279.23294	100.0
280.23648	8.8
338.85156	0.5
401.88254	0.4
476.27820	13.5
477.28336	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
61.49196	0.3
62.02482	0.3
68.47964	0.3
71.05671	0.4
71.06013	0.6
78.95780	22.8
79.59531	0.4
82.11369	0.3
122.00036	0.7
127.28609	0.4
140.01093	5.1
152.99481	2.6
171.00591	0.8
196.03737	11.6
214.04814	2.8
261.22385	0.5
271.90857	0.3
279.23291	100.0
280.23642	9.8
294.70303	0.3
413.98090	0.4
476.27820	25.3
477.28125	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	477.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42815	2.9
59.01252	5.6
60.07413	3.0
64.65322	3.1
65.00192	17.0
68.86335	3.1
73.12504	2.8
75.00738	6.8
76.62739	3.2
76.70875	2.7
76.98913	2.7
83.01288	6.1
89.02348	4.7
91.91321	3.9
107.01292	23.2
112.53569	3.0
125.02335	4.3
131.01256	5.0
135.00774	19.6
139.03932	4.0
143.04825	3.3
149.02356	4.3
151.00288	100.0
152.00606	4.4
153.01865	3.3
163.00264	15.4
165.01785	3.6
169.01318	3.9
174.03165	7.1
175.00301	33.2
178.99785	20.4
186.03044	4.1
187.03963	3.4
189.02106	3.3
193.01303	6.5
199.03853	4.3
201.01785	5.4
202.02634	5.6
205.01352	3.5
214.02654	21.5
215.03389	14.2
227.03371	3.9
230.02052	2.8
231.02942	6.3
241.01456	4.9
242.02261	6.0
243.02943	13.0
257.01291	3.7
258.01691	8.1
259.02423	11.5
268.61374	3.0
270.01529	4.9
271.02515	19.0
273.69528	3.9
286.01077	5.8
287.01953	11.8
297.00388	3.6
313.05670	10.8
314.00726	3.6
315.01474	24.6
341.05109	37.6
421.07819	9.2
449.07397	10.8
477.06757	97.5
478.07205	17.0
483.37317	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	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92330	5.8
57.93843	5.6
59.01243	22.2
59.17456	6.2
66.03876	5.5
69.00107	5.4
71.01237	22.3
71.01611	6.3
71.57314	13.1
73.56991	5.7
80.14497	5.8
89.40642	5.5
89.97541	7.2
140.99538	7.1
148.41895	6.1
166.08531	5.4
277.21747	100.0
278.22061	11.2
279.23251	26.9
319.22726	20.2
401.23508	7.2
475.26843	18.1
476.27267	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32181	0.3
55.01748	0.4
57.03307	0.4
59.01250	100.0
60.01597	1.4
60.67830	0.3
71.01254	12.4
72.99209	0.6
73.02821	10.4
75.00751	0.6
80.68591	0.3
83.01261	3.1
84.49722	0.3
85.02824	2.8
87.00759	1.0
87.04363	0.5
89.02318	5.5
95.01263	0.6
97.78288	0.4
99.00753	0.6
101.02326	11.0
101.05973	0.4
109.78082	0.3
113.02331	6.8
119.03410	2.2
125.02354	0.9
127.11507	0.3
131.03403	1.3
137.69157	0.3
143.02492	0.3
143.03432	1.7
143.04544	0.4
149.04483	0.7
161.04443	2.9
179.05551	1.1
185.06081	0.3
216.39516	0.4
227.07100	1.2
229.70052	0.3
229.72304	0.3
253.05084	0.9
259.93280	0.3
263.83145	0.3
271.06061	1.7
296.35226	0.3
327.18332	0.5
327.22028	0.4
415.23444	2.1
433.24429	0.9
475.12341	0.4
475.18448	0.5
481.05008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64745	1.2
57.15705	1.4
59.01250	54.6
65.61448	1.3
69.47247	1.4
71.01250	7.2
72.98825	1.3
72.99167	6.3
73.02863	1.5
75.00764	2.5
83.30872	1.4
85.02813	4.3
89.02323	1.8
101.02308	2.8
113.02335	5.4
124.01558	5.4
130.26144	1.2
135.04442	2.0
139.03914	13.6
140.04242	1.2
146.03641	37.7
147.04088	1.3
161.04652	2.3
161.05965	11.9
162.06363	1.4
163.03877	1.9
164.04701	25.6
177.38661	1.2
179.07062	100.0
180.07346	6.6
249.06133	2.3
267.07208	4.3
296.16177	1.3
336.81140	1.3
346.89832	1.2
433.13397	2.6
445.21680	1.4
475.14270	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88389	0.5
56.23702	0.4
57.03328	0.5
58.00478	0.7
59.01251	25.3
71.01260	7.6
72.99157	0.6
73.02823	1.3
75.00758	0.8
75.82372	0.5
83.01265	0.9
83.04916	1.0
83.44374	0.5
85.02813	2.3
87.00744	1.0
89.02313	6.6
93.03337	0.5
95.01303	0.5
96.56107	0.5
97.06484	0.6
99.00789	0.5
101.02328	7.2
109.02876	0.8
113.02345	3.5
116.03220	0.5
119.03400	1.4
121.02854	2.4
122.03628	0.7
123.04436	0.6
125.02325	0.6
135.04402	1.3
143.03372	0.6
149.05956	0.6
159.11734	0.9
161.04477	2.9
165.12810	0.8
177.12770	11.1
183.13811	3.0
191.08757	0.5
195.13840	100.0
196.14168	6.6
203.10762	0.5
221.11749	2.9
222.12219	0.5
223.45171	0.4
227.12907	2.8
235.08275	1.3
239.12851	11.5
240.13197	1.1
249.06270	0.8
253.09248	9.8
271.06464	1.0
271.09729	8.7
272.10059	0.8
313.16876	0.8
347.31628	0.5
475.21811	67.6
476.22122	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	475.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01253	12.5
65.03839	1.3
67.01772	0.5
69.43054	0.6
69.43473	1.2
71.01255	1.5
72.99191	0.5
73.02816	0.5
75.00768	0.8
77.40465	0.2
80.02535	0.2
82.44758	0.2
83.01268	0.3
83.99545	0.2
85.02829	1.1
85.52753	0.2
87.00767	0.5
89.02309	0.5
91.05409	4.4
93.03320	1.1
95.01277	0.6
97.02814	0.2
98.20549	0.4
99.00746	0.4
100.05199	0.4
101.02354	0.7
106.79362	0.2
107.04939	0.2
108.02058	3.9
109.02840	20.7
110.03184	0.6
111.00777	0.9
113.02339	1.3
119.04944	0.4
121.02845	13.6
122.03655	2.9
123.04419	5.0
128.01100	0.3
133.02846	0.8
134.03651	4.8
134.04646	0.4
135.04419	33.0
136.04778	1.0
139.11127	0.5
146.03487	0.2
147.04425	6.3
147.05592	0.4
148.05147	0.4
149.05991	8.2
150.06332	0.2
159.04491	0.2
167.56030	0.2
169.06558	0.2
172.05185	0.5
179.40604	0.2
183.04439	0.3
186.06804	0.9
187.07489	0.3
188.04726	0.2
196.05138	0.2
197.06046	1.7
199.03937	0.7
201.09326	0.2
201.11232	0.5
203.10760	0.3
211.07603	0.6
212.08342	1.3
213.05557	0.7
214.06241	1.7
225.15022	0.2
227.03453	0.5
229.08685	1.9
230.09126	0.3
238.06297	1.4
239.07068	0.5
241.05017	2.4
248.54352	0.2
249.06140	0.3
253.08673	1.3
255.02869	0.2
255.06523	0.6
256.07407	3.7
271.09747	100.0
272.10095	8.7
272.12402	0.2
285.04016	0.3
294.41589	0.2
313.03729	0.5
327.21893	0.4
350.12143	0.3
415.13849	0.2
475.17334	0.3
475.26416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11687	0.8
58.00492	0.9
59.01252	18.2
61.04791	0.9
71.01254	17.4
72.99173	1.7
73.02814	6.7
75.00742	1.3
83.01263	2.6
85.02833	6.3
87.00735	1.7
89.02321	4.0
95.01261	3.1
97.02846	1.5
98.20555	2.7
99.00758	9.1
101.02318	7.1
103.67472	1.0
104.50519	0.8
111.00771	1.9
113.02338	9.5
121.02895	1.7
123.00771	32.1
124.01559	100.0
125.01897	2.8
128.58202	1.0
132.62158	0.9
137.02342	1.0
138.03139	16.4
139.00264	2.7
139.03912	95.5
140.04259	3.7
143.92279	0.8
149.02339	1.1
150.03226	1.4
151.03926	1.4
153.01840	1.3
161.04475	6.3
163.03906	1.1
164.45764	0.8
181.05037	2.4
191.05585	1.0
193.05077	1.5
203.05563	3.2
216.52956	0.9
229.64429	1.2
283.08200	3.4
301.09232	6.5
343.10422	14.6
344.10641	1.1
364.07919	1.0
415.12653	1.2
421.59720	0.9
433.13495	24.9
434.13806	3.2
435.62689	0.9
456.87286	1.0
475.14642	19.7
476.14960	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	475.1247
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
50.36626	0.3
53.58421	0.3
57.66037	0.3
59.01263	0.7
62.11711	0.3
63.02271	3.6
65.00198	8.7
69.35593	2.5
71.01266	0.4
83.01257	5.7
86.76640	0.3
93.03334	10.4
101.22134	0.3
104.59663	0.3
107.01270	14.3
108.02100	0.6
108.99287	0.3
119.04919	46.1
120.05257	2.2
121.02854	0.9
124.27778	0.3
125.02321	1.2
136.01570	0.5
137.02332	0.4
143.04900	0.6
145.02843	0.8
149.02246	0.4
151.00278	46.4
152.00565	1.7
164.01045	0.8
165.01860	2.2
167.64557	0.3
168.96162	0.3
169.01332	2.0
175.00264	1.5
177.01851	7.0
185.05934	0.5
187.03975	0.7
193.01387	0.6
227.07037	0.8
229.05099	0.4
253.04996	0.4
255.02919	0.5
260.84772	0.3
271.06119	100.0
272.06461	8.4
295.06082	0.4
295.20541	0.3
298.04822	2.0
313.07275	3.3
314.07214	0.4
327.21786	0.5
369.91977	0.3
398.38284	0.3
475.12582	0.7
490.77451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1245
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
56.66842	0.6
59.01253	21.3
65.00206	2.1
69.40778	4.2
71.01252	4.3
72.99199	0.7
73.02809	1.0
85.02850	2.0
87.00746	0.8
89.02336	1.7
99.00780	0.7
99.92474	0.8
101.02319	1.6
113.02322	1.2
115.91964	1.4
116.92754	5.9
124.31520	0.7
124.63480	0.6
132.02100	1.4
136.98714	11.6
155.04857	0.7
182.03658	1.1
183.04424	1.2
195.04404	0.8
199.03928	4.3
210.03188	0.8
211.03973	3.2
214.06325	0.9
226.02725	0.7
227.03407	4.9
239.03387	3.1
242.05797	0.7
254.02200	22.9
254.05872	5.2
255.02846	5.8
268.03812	0.7
269.04550	31.7
270.04950	2.7
280.03696	0.6
282.01743	15.2
283.02463	10.5
284.03107	1.1
295.06186	0.9
297.04050	80.8
298.04776	51.6
299.05362	6.3
307.89767	0.7
310.04788	0.8
311.05557	1.4
313.07175	100.0
314.07516	9.5
327.21606	0.6
355.08084	2.4
404.21323	2.5
415.27017	1.2
439.06369	0.6
456.64673	0.7
460.10126	12.7
461.10425	1.5
475.12479	19.1
475.26089	1.2
476.12848	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	475.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
55.82373	0.8
57.03338	4.6
58.00488	1.1
59.01254	32.8
60.01579	1.2
63.61304	0.8
65.00215	1.1
67.01771	1.0
68.99701	2.5
69.03345	2.6
71.01259	39.7
72.99182	12.2
73.02823	5.0
75.00751	22.2
77.65536	0.8
80.65442	0.7
81.03345	1.3
83.01276	4.0
83.04893	1.6
85.02828	39.9
87.00755	15.2
89.02323	13.2
91.01753	0.9
91.03918	2.5
93.03341	4.8
95.01260	8.7
95.04919	2.8
97.02832	1.6
99.00758	13.0
99.04424	1.2
101.02314	5.3
103.00276	3.8
105.03356	2.8
107.01272	1.1
108.02058	4.1
109.02834	13.3
111.00790	2.1
111.45021	0.9
113.02341	50.7
114.02674	1.6
114.80991	0.7
115.00275	3.1
116.00680	0.8
117.01835	4.5
119.04917	1.2
121.02844	9.1
121.06553	2.1
122.16219	0.8
123.00790	3.3
123.04436	8.7
124.01562	3.6
125.02358	2.0
127.03947	2.1
129.01855	3.5
131.03410	1.2
133.02856	1.0
134.03642	1.4
135.04424	3.2
136.01598	1.7
137.02371	10.6
137.09645	3.7
138.03151	15.7
139.00264	1.6
139.03941	6.3
140.00983	1.1
146.16040	0.9
147.00745	0.9
148.01584	8.1
149.02364	15.0
149.04417	0.8
150.02831	1.0
151.00342	1.6
151.03926	2.3
153.05492	14.8
157.01352	1.9
161.02365	1.4
161.04414	2.3
163.03932	14.9
163.07603	2.4
164.01071	7.3
164.21179	0.8
165.01819	6.0
166.02628	7.1
167.03395	3.2
175.00351	1.1
175.02399	2.5
177.01947	1.4
178.02412	1.0
178.99841	1.2
179.03413	4.1
181.05025	18.1
181.08652	3.4
182.05446	1.0
192.00583	12.9
193.01300	5.6
193.03470	2.5
194.99367	0.9
202.52058	0.9
206.99304	2.5
207.02965	16.2
207.04912	1.4
225.04037	14.8
231.05138	2.5
249.06157	40.6
250.06647	1.8
267.07220	100.0
268.07562	5.0
269.07745	1.5
269.10287	2.4
293.58817	0.9
373.27328	1.0
415.16147	3.7
443.08136	1.5
457.09827	2.6
475.10699	10.2
475.16220	8.4
476.10803	1.1
497.78604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.3
57.03317	4.1
58.00460	1.5
59.01252	34.1
66.93904	1.5
68.99690	2.2
69.03304	1.6
69.64073	10.3
71.01255	35.9
72.99189	12.4
73.02812	4.8
75.00749	23.7
81.03318	3.0
83.01260	2.6
85.02827	34.9
87.00744	13.5
89.02316	8.6
91.03910	1.5
93.03328	4.4
95.01279	7.7
97.02854	1.6
99.00751	13.9
101.02319	7.6
103.00242	4.5
105.03289	2.0
108.02026	3.5
109.02829	8.3
111.00735	3.2
111.51035	1.5
113.02331	47.4
115.00280	2.9
117.01812	3.2
119.04881	1.8
121.02832	8.7
123.00768	4.3
123.04413	8.4
124.01542	3.6
125.02353	2.5
127.03902	2.2
129.01794	3.6
133.02856	1.8
135.04387	1.7
137.02367	7.7
137.09645	2.4
138.03140	11.4
139.03905	6.9
148.01588	8.4
148.05208	2.0
149.02350	15.0
150.02597	1.4
151.03978	1.6
153.05498	14.0
157.01305	1.9
161.02344	2.4
161.04475	3.3
163.03917	15.6
163.07552	3.3
164.01086	5.0
165.01836	4.9
166.02669	7.9
167.03371	4.1
175.00325	2.1
175.02379	3.9
178.99782	1.6
179.03482	3.6
181.04984	20.9
181.08600	1.7
182.05310	2.2
189.03746	1.5
192.00555	7.9
193.01262	4.4
193.03435	3.1
196.68068	1.5
207.02982	14.5
225.03969	15.3
231.05046	2.1
249.03496	2.2
249.06137	41.5
267.07211	100.0
268.07565	6.6
269.10287	6.1
415.16086	4.8
443.07782	2.2
475.10602	9.1
475.14606	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	474.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96288	0.4
78.95779	100.0
96.96844	8.8
115.20080	0.2
121.27357	0.2
121.99966	0.1
133.83080	0.1
140.01067	0.4
147.46808	0.1
150.97916	0.4
152.99493	16.9
153.99867	0.3
158.28429	0.1
171.00562	18.4
214.04822	0.4
229.35718	0.2
315.74380	0.2
382.21149	0.2
400.22595	1.9
401.22986	0.3
474.26257	52.5
475.26599	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02575	0.2
52.30622	0.2
59.01247	1.6
59.01682	0.3
63.30129	0.2
69.99326	1.0
71.01229	0.3
75.75801	0.2
78.95784	6.8
85.31638	0.3
98.19859	0.3
122.00051	0.4
134.80679	0.3
140.01096	2.4
152.99487	0.5
196.03723	1.2
214.04823	3.1
256.70908	0.2
259.20529	0.3
275.20145	0.6
277.21725	100.0
278.22083	10.6
278.24445	0.2
279.71396	0.3
457.26010	0.4
474.26270	6.1
475.26602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.8
78.95776	27.3
83.04887	0.3
83.90253	0.4
104.97335	0.6
122.00019	1.1
134.98456	0.5
140.01093	7.6
152.99443	1.9
196.03743	12.8
196.05592	0.7
196.14079	0.4
197.04054	0.4
214.04790	3.3
219.24609	0.4
233.22725	0.7
259.20612	0.6
277.21719	100.0
278.19019	0.7
278.22040	10.2
457.25809	0.4
474.26218	20.3
475.26538	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01253	25.6
60.01582	1.2
61.01678	0.4
64.36481	0.3
71.01254	2.8
71.59159	0.5
72.99181	0.7
73.02827	0.5
75.00757	1.0
83.01269	0.6
84.01965	0.3
85.02831	1.6
87.00741	0.4
89.02332	0.8
96.95874	0.3
97.02808	0.3
99.00780	0.9
99.92462	12.1
100.92517	0.4
100.93254	0.7
101.02333	1.1
103.00244	0.9
106.06520	0.9
111.00814	0.4
113.02328	1.2
115.91970	23.8
116.92748	100.0
117.92768	5.2
117.93556	0.6
140.92780	0.4
141.93536	0.5
142.94344	0.7
143.26907	0.3
150.05522	0.4
158.93890	0.5
161.04408	0.3
177.12766	0.4
183.13792	0.5
184.91771	1.2
184.95436	0.4
195.13847	4.9
201.11218	0.5
221.11829	0.5
239.12819	0.7
240.04201	0.3
259.96368	0.4
313.11877	0.5
330.68939	0.3
353.07120	0.6
357.22858	0.6
371.08023	2.8
389.09128	3.2
401.09241	0.5
413.09094	1.2
415.23108	0.4
431.10175	3.1
439.07141	1.4
440.07507	0.4
475.09113	6.9
475.21152	2.7
476.09256	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	473.327
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
58.08041	0.4
59.01252	7.4
60.99183	1.8
61.98705	0.5
68.77576	0.4
71.01256	1.0
71.58093	0.5
78.83319	0.4
83.01308	0.4
97.20736	0.4
114.52720	0.4
115.88611	0.4
121.02808	0.4
140.32866	0.4
143.07045	0.5
145.88101	0.4
146.75671	0.4
146.77083	0.5
209.43939	0.4
247.70859	0.4
248.24983	0.4
310.22690	0.4
327.23007	0.5
337.25406	0.6
349.25504	0.7
355.26419	1.0
365.28305	0.7
371.26205	0.5
379.26511	0.6
391.30099	2.4
395.29318	0.7
409.31192	1.2
427.32230	0.8
455.31750	1.1
473.32736	100.0
474.33060	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	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.5
57.03310	3.7
58.00461	2.2
59.01256	78.3
60.01579	2.7
63.02266	1.6
65.00193	3.9
66.82545	0.8
69.03323	0.9
70.85698	0.8
71.01259	48.3
71.46780	2.3
72.01583	1.2
72.99186	5.6
73.02833	10.2
75.00758	6.5
83.01259	8.8
85.02827	18.7
87.00746	4.7
89.02325	26.9
93.03358	4.2
95.01273	3.8
99.00760	8.5
99.04392	1.6
101.02326	31.9
107.01280	8.4
109.06436	1.5
111.00721	0.8
111.04409	19.5
113.02339	21.6
114.02679	1.3
115.00273	1.2
115.06723	1.9
115.07534	33.2
119.03384	8.7
119.04903	16.0
121.02863	1.2
123.04372	1.0
123.08055	0.9
125.02323	2.6
129.01831	2.0
135.02852	1.1
137.05981	1.1
138.09193	0.8
142.99760	2.2
143.03395	2.4
145.02838	1.2
151.00281	25.6
152.10730	3.4
153.09155	1.1
156.10181	4.0
158.11757	11.8
159.02914	1.1
159.43535	0.9
161.04459	8.5
165.01874	1.6
169.01347	2.2
171.10146	1.1
177.01904	4.6
179.05534	2.8
179.10684	2.5
180.11053	1.8
181.12279	1.5
196.09727	2.1
197.08026	1.4
227.07034	1.8
228.07491	1.0
249.06290	4.7
250.06491	1.8
267.07220	4.0
268.07547	3.2
269.08182	3.9
270.08487	7.0
271.06122	56.6
283.19135	1.5
284.03210	1.1
299.02118	1.0
314.04355	1.2
315.04712	1.3
320.17072	6.3
327.21719	4.6
358.15186	4.7
376.16156	13.6
377.16611	1.2
384.60764	1.1
415.23322	3.0
430.17999	2.5
431.18762	1.1
456.22318	2.2
474.17346	5.8
474.23471	100.0
475.12302	8.2
475.17911	2.2
475.23669	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10808	0.5
57.03325	1.9
58.00460	0.7
59.01252	100.0
60.01594	0.9
68.27015	0.5
69.03329	0.8
69.74650	2.2
69.75060	1.1
71.01255	11.2
72.99200	0.8
73.02814	4.0
75.00755	1.9
83.01286	2.0
85.02825	5.3
87.00771	1.4
87.04400	1.6
89.02312	3.1
95.01276	1.6
96.95915	0.9
97.02859	0.7
99.00748	1.5
101.02324	7.6
113.02322	5.4
119.03326	1.0
125.02367	0.9
131.04562	0.4
143.03410	1.1
146.02449	0.6
161.04518	1.7
174.01875	0.6
176.03487	0.5
179.05629	0.5
193.04840	0.5
209.11790	0.8
223.13412	1.3
249.06104	1.0
267.07263	0.6
298.09790	1.6
299.10471	2.2
325.20160	0.7
377.17618	0.5
387.19183	0.6
387.24185	1.7
397.17618	2.5
413.21967	2.0
431.22418	2.5
437.12585	0.5
441.16589	2.4
473.24063	20.0
474.24164	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15435	0.2
57.03316	0.3
59.01252	100.0
60.01606	1.1
66.31387	0.2
69.31228	1.4
69.31647	0.9
71.01245	2.8
71.01542	0.3
72.99197	0.3
73.02842	0.6
75.00751	0.8
83.01265	0.4
85.02837	1.3
87.00769	0.7
89.02320	1.4
96.95916	0.5
99.00786	0.4
101.02312	1.6
103.00253	0.4
111.46758	0.2
113.02315	1.4
115.07568	0.4
119.03442	0.6
125.02399	0.4
131.04539	0.3
131.11417	0.2
134.02402	0.2
161.04440	0.3
222.52361	0.2
223.13487	0.6
249.06224	0.6
249.15012	0.2
265.04898	0.3
267.06839	0.5
269.13898	0.3
283.06198	0.4
289.18256	0.9
309.07874	0.3
311.05740	0.8
311.09219	0.3
325.20197	0.3
326.07910	1.4
327.08423	0.3
339.12454	0.4
341.10312	1.4
356.12631	2.3
357.13181	0.4
371.20963	0.4
397.10446	0.3
413.22006	0.4
431.22675	0.3
473.24374	2.8
474.24460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01252	100.0
60.01594	0.9
61.47444	0.3
61.98711	0.4
68.99656	0.4
71.01258	2.9
71.58556	0.5
72.99190	0.4
73.02830	0.7
75.00748	0.8
83.01260	0.5
85.02838	1.4
87.00772	0.5
89.02318	0.7
99.00777	0.5
99.92473	0.7
101.02351	1.0
113.02350	1.1
113.03478	0.6
114.01839	0.4
115.91975	1.8
116.27739	0.3
116.92741	7.1
117.06748	0.3
117.92765	0.3
121.12415	0.4
123.04475	0.4
124.68084	0.3
131.04507	1.6
148.98932	0.4
161.04529	0.5
178.02585	0.6
193.05191	0.5
223.13522	0.4
229.16592	0.3
255.02998	0.5
267.07300	0.5
269.17111	0.4
283.07330	0.4
284.03351	0.4
298.09482	0.4
299.10510	0.6
337.12628	0.4
369.60413	0.4
371.20630	0.4
386.77115	0.4
397.17871	1.0
441.16849	0.9
473.24396	0.6
474.30997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86529	0.9
59.01253	100.0
59.51033	0.9
60.01583	1.7
66.25755	1.2
141.66888	1.0
175.33557	1.0
188.40584	1.1
224.63176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99544	0.4
57.03348	0.7
59.01254	100.0
60.01587	1.4
67.16696	0.5
71.01256	4.2
71.02226	1.1
73.02838	0.8
78.95808	1.1
79.45916	0.5
83.01253	0.9
85.02847	1.5
87.00734	0.6
87.16374	0.5
89.02345	1.7
95.84611	0.5
96.95905	4.0
96.96872	1.6
99.00787	0.6
101.02303	2.7
113.02331	1.5
114.56899	0.5
114.93328	2.3
121.02864	1.2
137.99675	0.5
149.80281	0.5
211.04048	0.8
254.05910	1.0
269.08252	1.2
326.86819	0.5
351.87784	0.5
387.13544	1.6
473.27145	6.0
473.33310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03144	0.3
57.86351	0.3
58.00451	0.3
59.01252	100.0
60.01593	1.2
64.52233	0.3
69.52916	0.3
71.01251	2.4
71.58125	0.5
73.02831	0.4
75.00743	0.5
85.02840	1.3
87.00772	0.4
89.02342	0.7
94.57549	0.3
101.02336	1.1
107.70959	0.3
111.35408	0.3
113.02361	1.1
129.01880	0.3
151.00311	0.4
151.50366	0.3
153.05589	0.3
161.04477	0.6
190.02696	0.5
227.03539	0.7
233.15387	0.5
239.03609	0.4
249.06197	0.4
255.03021	1.1
267.07336	0.7
268.03833	1.2
269.04596	1.0
271.02600	0.3
283.02588	0.5
284.03094	1.6
285.03882	0.6
299.05469	0.4
304.28116	0.3
409.62381	0.3
429.17639	0.4
472.62985	0.8
473.11362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14411	0.5
57.03325	1.2
59.01252	100.0
60.01595	0.7
64.15585	0.5
68.99701	0.6
69.50897	1.2
69.51307	3.2
70.36422	0.5
71.01257	8.2
72.99183	1.2
73.02839	2.4
74.02356	1.0
75.00759	3.7
77.50439	0.5
83.01272	1.2
85.02833	7.0
87.00774	1.9
89.02329	2.4
95.01294	0.7
99.00777	2.0
101.02303	3.1
113.02331	7.4
114.40509	0.5
115.07561	0.7
117.01852	0.7
135.11754	1.0
161.04503	0.9
165.12779	3.1
175.02455	0.7
175.03929	0.6
179.10728	2.1
182.19319	0.5
189.06952	1.2
192.15137	0.5
210.06729	0.7
227.03462	1.0
249.06186	4.6
255.02991	2.3
267.07208	14.7
268.07602	0.9
284.03305	2.7
289.18253	0.9
296.03406	0.8
311.05685	0.9
314.04407	0.7
341.22299	0.6
371.20911	0.7
413.21713	1.1
429.17609	3.8
464.31009	0.7
473.16779	4.7
473.24329	7.2
474.16696	1.6
474.24060	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32323	1.2
57.03316	5.0
58.23679	1.3
59.01251	100.0
60.01585	2.2
61.98657	1.6
67.01775	1.7
68.99696	2.1
69.03302	2.2
69.38102	8.9
69.38524	3.5
71.01255	49.1
72.01596	1.8
72.99166	6.6
73.02815	9.8
75.00752	21.1
83.01257	4.3
83.04890	1.7
85.02821	29.7
87.00745	10.3
89.02323	13.8
93.03329	1.9
95.01284	8.0
97.02808	1.3
98.09344	1.2
98.20610	2.8
99.00752	13.3
99.04419	2.0
101.02330	10.1
103.00249	2.1
107.37103	1.2
108.94765	1.2
111.00739	1.3
113.02332	36.3
114.33080	1.2
115.00281	4.0
117.01835	3.0
119.03389	2.2
121.02808	1.5
125.02367	1.3
127.03979	1.3
129.01811	3.2
133.10146	1.5
135.11676	5.5
137.05978	1.8
145.04997	1.7
151.00290	1.8
157.01328	1.9
161.04607	1.5
161.09660	2.8
167.03378	1.5
175.02332	2.7
179.10678	15.9
180.10985	2.2
189.47842	1.2
205.07104	1.9
223.09781	2.2
227.03430	8.1
228.03877	3.4
231.05127	1.9
233.15524	1.4
239.03462	1.6
249.06096	30.0
250.06509	2.3
255.02977	14.0
256.03409	7.5
257.03659	1.5
267.07196	71.1
268.03815	8.2
268.07458	3.1
269.04584	2.6
283.02460	5.0
284.03177	19.8
285.03784	10.6
286.04111	2.0
296.57260	5.0
369.09940	5.7
369.60315	19.4
370.10336	5.8
391.56039	1.4
413.21707	1.3
429.17642	31.6
430.18036	3.3
431.22556	1.6
472.63269	3.6
473.10864	4.9
473.16702	31.4
473.23340	2.2
474.16788	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92920	2.7
53.63157	2.8
54.50740	2.5
58.60829	2.2
59.00955	5.5
59.01255	100.0
60.01569	3.4
61.30571	2.3
62.72649	2.4
65.00216	3.0
69.45773	24.6
71.01257	23.7
72.99170	3.0
73.02834	15.9
80.96404	6.5
83.01254	5.4
85.02815	9.6
85.65669	2.8
87.00756	6.2
89.02303	11.1
94.27302	2.8
95.01315	2.6
96.95908	3.0
99.00757	7.0
101.02319	12.0
108.02052	3.4
113.02312	10.3
115.00161	3.3
117.03342	3.2
117.81806	2.7
119.03433	2.8
123.04382	3.0
132.02017	6.2
135.01738	2.7
135.02814	3.5
138.01851	33.6
149.02280	4.8
149.06047	2.9
150.03084	4.8
153.05478	2.8
160.01480	9.2
161.02245	3.9
161.04414	4.2
163.03941	3.2
163.11214	3.3
171.12212	3.4
175.03929	16.7
177.01703	4.4
207.10251	6.9
230.53825	3.0
242.02068	3.2
243.02896	5.2
255.02948	7.9
256.03284	3.5
267.07050	3.8
271.02411	9.0
284.03201	8.0
299.01987	7.9
299.11313	2.9
300.02469	7.3
313.03680	3.6
314.04269	7.8
315.04651	4.9
316.02103	4.9
387.16599	4.2
429.17709	39.3
430.17957	3.0
431.15646	3.6
472.63245	15.2
473.11902	6.3
473.16974	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76606	1.2
55.01757	1.3
57.03317	4.1
58.00462	1.1
59.01251	94.0
60.01556	1.5
65.04317	1.3
67.01772	1.4
68.99667	2.4
69.03340	2.0
71.01251	40.2
72.99165	6.3
73.02826	6.6
75.00749	21.2
78.16454	1.1
83.01237	1.3
85.02825	27.7
87.00748	12.0
89.02308	10.3
93.03315	1.3
95.01264	6.0
97.02797	2.0
99.00758	11.7
99.04424	1.3
101.02310	6.5
103.00238	4.3
103.03902	1.3
113.02333	39.9
115.00262	3.0
117.01800	4.4
125.02305	1.8
129.01845	2.7
133.10147	1.8
135.11649	4.9
145.04997	2.2
151.00203	2.1
157.01349	1.4
161.09642	3.5
175.02451	3.1
179.10695	15.3
180.11031	1.7
205.07130	3.0
223.13393	1.5
227.03374	5.0
228.03865	1.4
231.04984	2.4
249.06134	32.3
250.06555	1.2
255.02884	8.9
256.03284	5.5
267.07199	100.0
268.07510	3.7
283.02441	1.8
284.03174	10.1
285.03708	7.6
286.04074	1.6
296.07211	2.9
296.57285	3.4
369.09985	4.5
369.56235	1.4
369.60358	11.0
370.10294	4.6
429.17606	29.8
430.17966	1.9
473.10077	2.3
473.16641	38.1
474.16779	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03311	5.9
57.82774	1.1
59.01251	98.2
59.22412	1.3
60.01578	1.5
68.99689	2.3
69.69935	8.1
71.01252	42.3
72.99176	7.4
73.02811	4.4
75.00750	26.9
83.01248	2.4
83.35377	1.1
85.02824	33.7
86.03168	2.1
87.00753	12.1
89.02327	9.8
91.03891	1.3
93.03332	2.0
95.01266	8.2
98.19798	2.3
99.00749	13.2
99.04417	1.4
101.02328	5.7
103.00257	4.0
107.01256	1.4
111.00758	1.5
113.02331	42.3
114.27938	1.3
115.00233	3.1
117.01826	4.8
119.03365	1.5
120.10284	1.0
121.02863	2.2
123.04394	2.1
129.01828	3.5
131.03419	1.4
133.10095	2.1
135.11699	6.2
149.02362	2.2
151.00333	1.5
157.01318	2.1
159.08047	1.6
160.01578	2.4
161.02399	1.8
161.09628	3.8
164.00993	1.3
175.02345	3.9
175.03937	4.5
177.01888	2.7
179.10698	18.5
183.33949	1.2
205.07066	2.5
224.90067	1.2
226.02637	1.5
227.03453	4.5
227.12883	1.2
231.05083	2.2
243.02945	2.0
249.06133	33.9
250.06609	1.6
255.02925	7.3
256.03287	1.7
267.07205	100.0
268.03812	1.2
268.07553	5.1
271.02432	2.3
283.02536	2.7
284.03156	7.2
285.03687	5.9
299.01849	3.3
300.02548	3.3
313.03586	2.9
314.04279	3.7
369.10007	1.4
429.17578	27.8
430.18115	2.6
431.22745	2.0
433.98819	1.4
472.63193	4.7
473.17114	28.4
473.23972	3.3
473.62570	1.5
474.17181	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48189	0.4
51.56614	0.5
55.01770	1.0
57.03327	1.8
58.00467	0.6
59.01253	100.0
65.98853	0.5
67.01780	0.7
68.99699	0.9
69.03337	0.7
69.32452	0.6
69.32856	4.5
71.01257	16.8
72.99181	2.9
73.02819	3.0
74.02345	2.9
75.00746	8.0
79.83707	0.5
83.01260	1.3
83.04874	0.5
83.30141	0.6
85.02830	12.8
87.00757	5.6
89.02325	5.9
90.09428	0.6
91.03909	1.0
95.01257	2.8
96.95935	0.9
98.19764	1.0
99.00759	6.1
101.02312	3.8
103.00254	1.2
111.04406	1.2
113.02326	18.9
115.00281	1.0
115.07552	2.2
115.53452	0.6
117.01833	1.7
119.03397	1.2
129.01852	1.3
133.10196	0.8
135.11681	2.6
143.11812	1.4
159.08058	1.3
160.01624	0.9
161.02299	0.9
161.04477	0.7
161.09674	1.7
175.02417	1.7
175.03973	1.6
179.10675	6.2
189.06972	2.2
205.07208	0.7
231.05113	1.2
249.06125	13.1
250.06662	0.7
256.20410	1.3
267.07214	39.3
268.07657	2.2
269.08234	1.2
314.04373	1.6
315.04788	0.7
356.15884	0.6
404.49527	0.6
413.22253	0.7
429.17630	11.1
430.18170	1.5
472.63300	2.0
473.06805	0.7
473.16812	17.5
473.24481	7.6
474.17087	2.0
474.23770	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	473.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72578	0.4
58.02850	0.8
59.01241	1.2
67.48726	0.4
69.98251	0.5
70.02859	5.7
71.01273	0.8
71.02376	2.5
71.14404	0.9
71.14779	0.8
72.00779	2.2
86.15047	0.4
89.02316	1.2
95.02396	6.2
111.01915	2.1
113.03460	28.1
114.01859	21.7
115.02208	0.5
123.40636	0.4
127.40772	0.4
130.01315	0.4
131.04523	100.0
132.04942	2.0
143.03433	0.4
179.05608	0.5
242.58092	0.4
260.92075	0.4
301.79898	0.5
324.66479	0.4
341.10867	1.8
453.68527	0.4
478.32153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58965	0.6
52.91807	0.6
53.80864	0.5
55.01761	1.3
57.03328	4.0
58.00473	0.9
59.01251	24.4
67.01768	1.4
68.96542	0.6
68.99692	2.7
69.03339	1.3
71.01254	31.3
72.99180	7.6
73.02826	3.7
75.00744	21.1
83.01260	1.5
85.02826	30.0
87.00747	12.3
89.02330	7.4
91.03889	1.1
93.03351	1.4
95.01267	6.8
99.00764	13.3
101.02338	2.0
103.00282	3.2
104.48665	0.7
111.00764	1.9
112.01575	0.8
113.02334	33.6
114.02728	1.1
115.00257	2.1
117.01810	3.3
117.03326	0.9
121.02840	10.8
129.01833	3.0
131.03374	0.9
132.02077	1.5
134.03673	0.9
135.04402	1.1
137.02316	1.1
138.01886	1.8
139.00249	0.8
147.00764	0.9
147.04385	4.5
149.02347	70.9
150.03004	4.7
157.01300	1.1
160.01465	0.7
163.03885	1.2
164.04703	47.6
165.05295	3.3
175.00320	2.4
175.02434	2.1
175.03882	0.8
176.01062	2.3
179.07094	4.8
190.02652	5.4
191.03447	3.6
193.03549	0.6
202.46167	0.7
205.05038	7.8
205.06868	1.2
207.05013	1.2
209.04474	3.6
223.06075	36.6
224.06418	1.8
231.04984	2.4
249.06136	35.2
250.06503	1.9
255.02846	1.6
256.03372	0.9
256.22455	0.7
258.28772	0.7
267.07217	100.0
268.07666	4.6
282.07425	1.4
283.08194	1.4
284.03220	1.8
285.03735	0.8
297.09802	3.7
411.13013	0.9
413.10953	1.1
441.10178	1.0
455.11960	3.7
456.62851	0.7
472.62720	1.0
473.12973	48.6
474.13391	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	471.348
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01257	1.4
60.19886	0.3
60.99183	2.0
63.93564	0.2
70.14571	0.5
70.14989	0.9
71.64236	0.3
82.29379	0.3
82.85098	0.3
83.04897	0.6
84.76324	0.3
91.42256	0.2
145.82463	0.3
182.05637	0.3
211.66858	0.3
325.25336	1.5
351.26895	1.0
353.28625	1.7
353.32498	0.3
369.27802	0.3
405.31674	0.5
407.33252	5.1
408.33694	1.0
423.32666	0.6
425.34296	0.8
448.84213	0.3
453.33926	1.6
471.34796	100.0
472.35162	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	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.93335	0.3
57.18921	0.3
59.01239	1.3
71.57416	0.6
71.96884	0.3
75.00727	0.4
78.95767	0.3
84.18784	0.3
104.86605	0.3
114.84006	0.3
114.93340	0.3
118.93668	0.3
135.59930	0.3
176.88869	0.3
389.16492	1.3
393.31738	0.8
405.31735	0.6
425.30502	0.6
471.34796	100.0
472.35135	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	472.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41206	0.4
57.03315	3.4
59.01255	13.5
60.01607	0.5
60.14544	0.4
68.01280	0.4
68.99689	17.2
69.53062	3.1
69.99997	0.4
70.02853	0.8
71.01258	4.7
72.99203	0.6
73.02800	0.9
74.80992	0.4
75.00754	0.9
77.29507	0.3
79.05415	0.4
80.04939	0.8
83.00019	2.7
83.01251	0.5
83.04885	1.2
83.84025	0.4
84.00793	0.5
85.02819	1.3
87.00754	0.5
89.02315	3.9
90.02681	0.5
94.02868	0.5
95.01298	0.5
96.99197	8.4
96.99777	0.8
97.05304	0.4
99.00758	3.4
101.02332	1.5
108.04464	0.8
109.01588	10.7
110.02391	0.6
113.01099	2.2
113.02310	1.8
114.01872	0.7
119.03387	1.2
121.06437	0.4
122.05988	1.1
123.08025	0.5
124.00303	2.7
134.06018	1.0
136.03951	0.9
137.09666	0.6
140.03430	1.6
148.22186	0.4
158.05969	0.6
158.33945	0.4
160.03828	0.5
161.13129	0.4
173.03270	0.9
177.04234	0.5
178.04980	1.2
179.05638	0.6
184.02422	1.1
188.06996	0.7
190.05032	3.4
200.05565	0.6
216.06570	0.5
223.13258	0.5
228.06595	1.2
229.15910	0.4
230.08212	1.2
233.13458	0.4
237.14954	0.5
250.07161	2.1
256.09665	0.4
273.18604	0.6
274.18921	1.1
288.08789	1.6
291.19647	0.9
292.19986	2.0
306.45676	0.4
312.40744	0.4
316.11829	0.7
326.17618	0.5
338.21158	0.7
354.16898	0.5
366.20657	0.5
384.21753	0.9
394.20157	1.3
399.55658	0.4
412.21313	13.0
413.21527	2.2
431.26389	0.9
472.23370	100.0
473.23642	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	471.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.8
58.00466	1.3
59.01257	48.5
68.99695	16.7
71.01257	25.1
71.58990	0.7
72.99180	2.7
73.02837	1.6
75.00739	0.8
81.02089	0.8
82.99992	2.2
83.01247	1.6
83.04909	1.7
85.02828	5.5
86.02372	0.7
87.00758	1.8
89.02325	23.1
95.01245	2.0
95.82380	0.6
96.99211	8.0
99.00771	4.0
101.02336	15.5
106.34058	0.6
107.04899	0.6
109.01594	9.1
110.02407	0.7
113.01083	1.9
113.02333	7.8
119.03389	10.3
121.06544	0.8
124.00282	2.3
131.03415	1.3
136.03989	0.8
137.09602	0.7
140.03421	1.5
143.03394	1.0
149.04535	1.4
161.04482	1.5
170.94966	0.7
171.10165	0.8
173.03360	0.8
175.03954	0.7
177.04327	0.9
178.05112	1.3
179.05569	1.7
190.05087	3.1
197.40639	0.6
228.06699	0.8
229.19585	2.0
230.08357	1.1
231.08858	0.6
249.14958	1.2
250.07137	1.6
261.18579	1.8
270.16779	0.7
273.18600	13.9
273.21387	1.1
274.18777	1.0
291.19669	18.6
292.19937	1.1
298.09375	0.8
309.20630	3.2
316.11890	1.0
384.22055	0.9
394.20325	1.1
412.21298	12.4
470.73688	0.7
471.26135	17.3
471.34213	1.3
472.23398	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	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
51.21958	0.1
57.03313	0.3
59.01257	0.8
70.63882	0.3
71.01252	0.1
85.02802	0.2
86.85717	0.1
97.06471	0.5
97.27709	0.1
101.02263	0.1
112.57639	0.1
113.02317	0.2
123.08055	0.3
125.09612	4.0
126.09942	0.2
135.65691	0.1
143.12411	0.2
165.12761	0.3
168.29323	0.1
169.08611	0.1
183.13838	2.6
184.14236	0.2
187.09669	1.9
227.12865	0.5
243.12364	0.3
261.13437	0.7
262.13831	0.1
301.16577	0.3
391.29980	0.2
393.31677	1.0
405.31818	0.4
419.60147	0.1
425.30466	0.3
471.34784	100.0
472.35135	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43793	0.3
59.01251	3.3
71.01250	0.7
71.57832	0.7
72.99165	0.3
75.00725	0.7
85.02812	0.5
87.00735	0.3
125.09621	1.2
130.32101	0.3
162.83870	0.4
177.03958	0.9
177.58612	0.3
183.13838	0.6
293.21143	0.5
309.18298	0.3
393.31619	1.0
405.31583	0.4
425.30750	0.5
471.34818	100.0
472.35129	18.6
479.55569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.1
65.58950	0.4
69.23867	3.6
71.01257	4.4
73.02825	3.8
83.01287	1.0
85.02797	0.8
89.02324	1.4
99.00771	0.5
99.04408	0.5
101.02321	4.3
113.02341	2.4
117.03355	0.5
119.03419	0.5
119.04930	1.8
124.09695	0.3
135.04411	0.4
137.09644	0.6
143.03500	0.5
145.02866	1.2
149.04565	0.4
160.01546	0.4
161.04491	1.0
163.03958	1.4
175.03935	0.6
223.13382	0.4
227.03494	0.5
255.03009	0.4
284.03421	0.9
307.08386	0.9
369.10214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47735	0.3
56.61482	0.3
57.03328	2.0
59.01255	100.0
60.01589	1.2
61.98717	0.6
69.57647	2.2
71.01257	4.9
72.99187	0.4
73.02831	1.7
73.88441	0.4
75.00749	0.9
76.94503	0.3
80.96396	1.0
83.01258	0.8
85.02817	2.1
87.00755	0.6
89.02330	1.3
94.97964	0.3
98.19874	0.8
99.00774	0.9
101.02327	2.7
104.89901	0.4
107.88913	0.3
109.06502	0.6
113.02339	2.1
119.03433	0.4
119.04956	0.4
125.02354	0.7
125.46085	0.3
134.03607	0.5
135.04451	1.3
155.10687	0.5
161.04427	0.6
176.96921	1.2
193.05014	0.4
203.05635	1.5
207.13843	5.1
211.13420	1.7
223.13489	0.6
249.06140	0.6
249.14981	4.5
250.15321	0.5
255.03166	0.4
267.07266	0.4
383.13000	0.7
411.20532	0.5
417.55560	0.4
471.09711	0.5
471.15781	1.3
471.22067	1.3
471.34561	0.4
472.14349	0.4
472.23621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77599	0.8
55.01772	1.6
57.03339	1.3
58.00462	2.4
59.01253	63.4
68.99687	1.5
69.03313	1.1
71.01254	32.6
71.58043	1.3
71.62142	1.0
72.99187	3.3
73.02827	2.5
83.01260	2.8
83.04987	1.0
85.02829	7.8
87.00740	1.9
89.02316	22.9
95.01262	2.0
101.02328	18.2
113.02343	9.0
119.03395	7.5
125.02374	1.2
169.12268	1.5
179.05524	1.7
197.11763	8.7
229.19704	1.8
261.42975	0.9
273.18668	5.2
291.19656	6.6
308.37354	1.1
309.20712	5.0
453.24997	3.5
470.73114	1.5
471.25989	100.0
472.26761	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	470.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	7.6
59.01257	59.8
68.99681	6.2
69.50731	6.4
69.59094	12.1
69.59505	30.4
71.01253	49.0
72.99186	31.6
73.02825	19.9
75.00761	18.8
85.02823	37.5
87.00768	17.0
89.02320	17.1
94.39895	6.4
98.19886	11.8
99.00768	16.7
100.75846	7.0
101.02335	24.7
107.04922	10.1
113.02335	48.1
118.19452	5.9
119.03395	6.4
119.04959	10.7
121.02876	9.1
129.01865	13.3
131.03462	7.8
134.05971	9.8
145.02863	8.2
146.08167	7.2
147.04420	18.2
149.05991	28.0
154.12831	5.6
155.73264	6.0
158.06061	9.4
160.03969	17.0
163.06017	11.5
165.01790	14.5
166.02246	6.1
166.82849	5.9
175.03911	11.4
176.07124	12.3
180.04221	8.9
193.04982	10.4
195.06490	13.1
202.03401	7.1
202.05060	33.1
205.07185	7.3
220.06105	100.0
228.24062	8.1
249.06172	44.3
267.07224	99.9
452.11911	22.3
469.19275	12.5
470.12943	71.8
470.19482	38.3
472.54178	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	470.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	7.6
59.01257	59.8
68.99681	6.2
69.50731	6.4
69.59094	12.1
69.59505	30.4
71.01253	49.0
72.99186	31.6
73.02825	19.9
75.00761	18.8
85.02823	37.5
87.00768	17.0
89.02320	17.1
94.39895	6.4
98.19886	11.8
99.00768	16.7
100.75846	7.0
101.02335	24.7
107.04922	10.1
113.02335	48.1
118.19452	5.9
119.03395	6.4
119.04959	10.7
121.02876	9.1
129.01865	13.3
131.03462	7.8
134.05971	9.8
145.02863	8.2
146.08167	7.2
147.04420	18.2
149.05991	28.0
154.12831	5.6
155.73264	6.0
158.06061	9.4
160.03969	17.0
163.06017	11.5
165.01790	14.5
166.02246	6.1
166.82849	5.9
175.03911	11.4
176.07124	12.3
180.04221	8.9
193.04982	10.4
195.06490	13.1
202.03401	7.1
202.05060	33.1
205.07185	7.3
220.06105	100.0
228.24062	8.1
249.06172	44.3
267.07224	99.9
452.11911	22.3
469.19275	12.5
470.12943	71.8
470.19482	38.3
472.54178	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	469.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.3
57.03327	4.6
58.00465	1.6
59.01252	100.0
61.98716	1.2
66.27250	0.8
69.03339	1.1
70.72025	0.9
71.01255	34.6
71.57594	1.2
72.99162	1.9
73.02818	18.9
75.00729	1.2
78.95797	1.3
83.01248	7.6
83.04908	1.5
85.02823	16.1
86.03127	1.3
87.00758	5.7
89.02317	11.4
95.01243	2.3
97.02790	0.9
97.06441	1.9
99.00756	3.4
99.01807	0.9
101.02321	25.0
107.04805	1.1
109.02818	1.7
109.75980	0.8
111.04400	11.6
113.02332	11.2
119.03379	3.7
121.06493	1.4
125.02364	2.0
125.05885	1.0
127.78180	0.8
129.01724	1.0
131.03368	1.3
133.06503	5.0
136.03912	0.9
137.09615	2.7
138.06752	1.1
143.03447	1.3
143.80322	0.9
147.08102	1.2
153.09137	3.1
159.02933	1.1
161.04433	6.4
165.09131	3.1
182.61539	1.2
185.13287	2.9
187.11163	2.2
188.74921	1.0
203.14378	11.3
221.15410	3.4
224.08609	0.9
247.13385	2.5
265.14542	1.0
273.32639	0.8
309.85080	1.1
331.09479	0.8
383.20789	2.8
409.18573	3.2
427.19653	10.4
428.20004	1.0
469.20767	92.3
470.20926	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09645	2.0
58.00500	2.3
59.01254	51.0
59.79657	1.8
70.24204	3.6
70.24591	4.6
71.01262	38.7
72.99181	5.3
73.02824	36.1
83.01278	3.2
84.86093	1.9
85.02829	13.7
85.99976	4.9
87.00758	18.5
87.04407	7.4
89.02319	15.2
89.87148	2.0
96.95905	2.3
97.88365	2.0
98.20456	2.5
101.02325	39.2
103.03898	18.6
112.98678	2.7
113.02357	4.7
115.03896	9.2
119.03387	6.8
123.41893	1.9
125.02373	4.4
128.03484	5.2
131.03404	18.9
143.03406	19.4
145.04953	6.0
163.06046	27.4
166.88982	1.9
191.39972	2.3
205.07109	27.7
265.09366	3.1
469.19290	100.0
470.19489	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	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74046	1.3
56.63343	1.3
58.00462	2.6
59.01255	55.9
69.03328	2.2
71.01254	38.2
71.34184	2.8
72.01631	1.7
72.99175	8.8
73.02825	33.0
74.03162	1.3
75.00745	1.8
78.28194	1.3
80.70742	1.2
80.71207	1.4
83.01234	3.3
85.02830	18.6
85.99967	4.0
87.00753	17.1
87.04386	7.0
89.02327	18.7
96.95902	2.1
99.08050	1.8
101.02327	38.8
102.02682	1.5
103.03897	17.3
106.56437	1.4
113.02334	7.0
115.03928	9.2
119.03442	7.8
125.02318	3.3
131.03395	20.6
143.02496	2.0
143.03436	19.0
145.04967	6.0
163.06055	32.0
175.03954	2.7
205.07097	32.5
215.16173	1.4
265.09335	1.8
281.34433	1.3
284.12915	1.5
289.11954	1.8
347.21802	1.4
429.56369	1.8
469.19269	100.0
470.19745	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	469.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24446	1.8
55.82506	2.0
59.01251	71.0
69.06496	2.0
69.42772	16.7
71.01254	36.5
72.99175	5.0
73.02816	40.0
85.02831	16.8
85.99979	3.0
87.00748	17.8
87.04372	8.8
89.02326	20.3
93.54798	2.0
99.04407	2.3
99.07986	1.7
101.02327	40.7
103.03889	20.2
106.89275	1.7
109.88576	1.7
113.02312	4.8
115.03899	17.7
119.03403	8.0
121.82615	1.7
125.02349	3.9
127.03902	4.6
131.03391	23.3
133.32558	1.6
140.74294	2.1
143.03413	30.7
145.03958	1.7
145.04948	9.9
163.06033	30.8
205.07138	34.1
218.13432	1.8
247.10806	2.1
469.19290	100.0
470.19684	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03323	1.5
58.00460	1.8
59.01252	41.5
68.33676	0.6
69.03328	1.9
70.64333	0.9
70.64697	1.7
71.01254	29.6
72.99179	5.1
73.02818	28.6
74.03147	0.7
75.00747	1.5
83.01266	1.9
83.49860	0.5
85.02824	13.2
85.99957	2.8
87.00751	14.4
87.04375	5.9
89.02316	12.7
93.56245	0.6
96.24130	0.6
96.95906	4.5
97.02841	1.4
99.00743	1.2
99.04382	1.3
99.08033	0.7
101.02324	25.8
102.02634	0.6
103.03894	11.9
112.98693	1.2
113.02337	3.3
115.03907	9.0
119.03386	4.6
122.12287	0.6
125.02312	3.0
126.90395	6.2
127.03915	1.6
128.03445	7.2
131.03395	14.6
143.03412	17.5
145.01331	1.7
145.04974	4.6
163.06041	26.0
205.07111	26.5
231.03244	0.6
263.05777	0.9
265.09357	1.5
266.38953	0.6
338.99066	0.7
385.25287	0.7
423.11069	0.7
469.19260	100.0
470.19632	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	467.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03325	1.1
58.57222	0.7
59.01252	100.0
60.01588	0.8
61.98690	1.0
68.90931	0.6
71.01255	25.2
72.99196	1.5
73.02818	4.9
75.92488	0.8
83.01274	2.9
85.02827	9.8
87.00770	1.9
89.02316	16.0
89.02824	1.0
95.01276	1.5
99.00777	3.0
101.02324	21.7
102.02690	1.1
113.02328	10.3
119.03391	11.5
119.04857	0.9
131.03363	1.3
143.03409	2.5
147.02893	0.7
159.02954	1.6
161.04468	13.1
161.26105	0.7
161.27623	0.7
179.05562	2.6
206.56987	0.6
230.35414	1.0
245.17551	5.9
299.55988	0.7
346.97858	0.7
367.19888	1.4
376.83383	0.9
407.22849	56.3
408.23187	6.6
467.17468	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	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23287	3.7
55.01760	6.9
57.03322	8.2
57.03968	3.7
59.01253	58.6
67.89230	3.5
68.99685	3.8
70.64865	4.3
71.01260	47.0
71.56501	4.9
71.56868	6.3
72.99183	23.2
73.02821	22.4
75.00742	12.5
75.02466	4.9
82.01279	4.7
83.01262	20.6
85.00907	9.1
85.02827	14.1
87.00763	17.8
88.98702	10.4
89.02290	10.4
95.28717	3.9
96.95861	6.5
99.00768	33.8
101.02328	26.7
103.00258	5.8
103.03912	7.2
111.00767	34.6
112.98692	93.2
114.98380	4.9
115.00261	16.6
115.03921	7.5
117.01801	11.9
124.98671	4.6
126.90411	46.3
127.00278	4.9
127.01978	3.9
128.03435	68.4
129.01837	18.2
131.03395	15.4
137.10356	3.8
142.99750	11.6
143.03413	15.9
145.01331	100.0
146.01694	5.2
157.01367	5.4
163.06046	11.5
168.66241	4.3
171.00972	12.9
173.00806	13.1
187.02412	6.1
199.00542	5.1
205.07108	15.0
231.03201	10.0
245.04912	5.7
263.05804	51.9
333.06235	6.7
365.08957	8.6
371.07886	5.2
391.06784	5.4
451.08972	10.7
469.10098	77.3
469.19073	61.0
470.09937	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	465.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75494	1.7
59.01258	25.9
70.05698	9.3
71.01257	7.7
72.99178	8.1
75.00745	3.2
78.95785	12.7
83.01260	3.1
85.02849	2.1
87.00739	1.5
89.02327	2.5
95.11079	1.5
96.95885	3.7
99.00764	6.3
101.02283	1.8
113.02314	5.4
115.00288	2.9
117.01772	2.2
125.02412	2.0
134.57617	2.0
135.02866	3.0
135.04437	4.7
140.01102	1.7
142.99725	4.7
152.99527	13.9
166.55719	2.0
173.00761	2.5
174.01622	100.0
175.02101	3.8
211.13356	5.0
263.20068	2.6
265.21786	1.9
273.18674	3.1
275.20178	10.9
285.04166	2.3
285.18524	3.4
291.19675	25.7
292.20206	3.3
293.21313	21.2
303.19568	15.1
304.19989	2.8
319.19165	5.0
321.20758	7.5
329.17731	2.1
333.20895	3.3
343.19534	2.4
344.00021	1.8
347.18744	10.7
364.25790	2.1
365.19760	9.8
387.17993	2.4
405.19327	7.7
465.21082	15.8
466.21973	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34797	0.4
55.01762	2.7
56.39807	0.3
57.03325	2.1
58.00471	0.9
59.01253	100.0
60.01602	0.9
66.65032	0.3
68.99717	0.4
69.03349	0.4
70.68404	1.2
71.01257	30.7
72.01583	0.3
72.99191	1.6
73.02822	19.8
75.00761	1.1
78.95787	2.6
83.01260	7.0
85.02826	16.3
85.99982	1.3
87.00764	1.5
89.02319	5.5
89.49710	0.3
95.01271	2.1
97.02848	1.9
99.00761	9.5
101.02325	27.5
102.02666	0.5
111.00787	1.1
112.01599	0.8
113.02334	13.7
114.02653	0.4
125.02348	2.0
127.11192	0.7
129.01834	1.0
130.12338	0.4
131.03397	2.4
143.03429	1.9
151.41161	0.4
159.02882	1.7
161.04471	9.4
191.05525	0.8
199.13332	0.5
225.14964	1.5
273.17130	2.8
291.18152	33.2
292.18481	1.6
323.17679	0.4
333.19196	3.1
405.21243	1.5
423.22357	47.3
424.22702	3.6
465.23389	39.4
466.23685	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	467.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	10.0
59.00991	7.6
59.01255	93.8
60.01595	4.7
61.98683	4.5
64.30832	5.3
64.94328	5.1
70.37376	4.4
71.01255	48.8
71.57807	8.3
72.99187	13.9
73.02814	6.3
75.00758	6.2
83.01269	8.2
85.02831	93.9
87.00756	13.2
89.02332	29.8
96.95924	6.7
99.00721	11.3
101.02322	20.6
107.01235	4.3
111.00757	8.4
113.02319	19.2
117.01847	4.6
119.03403	9.4
119.04929	11.5
121.02854	12.5
123.08035	4.5
125.02334	6.2
129.01868	8.7
135.04425	6.2
141.09134	13.7
145.02837	7.3
147.02890	7.2
151.00302	5.1
155.10680	5.3
159.04494	4.7
161.04462	13.1
161.08092	10.8
163.03911	10.9
168.90605	4.8
191.01913	25.8
209.00803	4.5
209.02954	24.4
227.03575	8.2
243.15884	5.9
245.17581	100.0
246.17897	5.5
255.02939	7.4
266.88785	5.3
267.07355	7.4
284.03214	5.5
285.03668	5.5
323.13586	6.8
407.22842	84.2
408.22903	8.9
457.62802	6.9
458.12347	5.6
463.79147	5.5
467.17505	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	465.1043
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
53.62500	0.4
59.01252	5.0
63.02272	1.6
65.00195	8.4
65.00519	0.6
65.81133	0.4
67.01775	0.5
69.69167	0.8
69.69579	2.5
71.00945	0.4
71.01249	2.2
72.99221	0.5
73.02821	0.7
75.00738	1.1
80.00784	0.4
83.01262	4.3
85.02847	1.1
87.69092	0.4
88.22475	0.4
89.02330	0.5
95.04923	0.5
98.02377	0.4
98.19884	0.8
99.00746	0.9
101.02340	0.8
105.03357	0.6
107.01276	13.7
107.04910	1.2
108.02073	1.8
113.02337	1.2
116.93295	0.4
117.03413	0.6
119.04956	0.4
121.02816	0.9
123.04448	0.6
124.01530	0.9
125.02336	4.0
133.02863	0.8
136.01561	1.2
145.02899	0.6
149.02313	1.0
150.03130	5.9
151.00288	62.4
151.03914	100.0
152.00630	2.3
152.04260	3.1
159.04427	0.4
161.02362	0.8
164.01062	2.3
169.01323	2.1
175.03906	0.9
176.01062	0.9
177.01855	1.7
190.02696	0.8
196.00032	1.5
215.03343	0.5
217.01309	0.6
220.63069	0.4
227.03458	0.6
243.02934	0.7
249.06171	0.7
255.02921	0.8
257.04315	0.5
267.07248	2.6
270.01898	0.5
271.02417	1.0
272.02863	0.6
273.03085	1.2
284.03232	0.7
285.04086	1.2
285.07413	0.5
299.01825	0.9
300.02756	1.1
301.03293	1.2
302.03802	2.1
303.05103	29.9
304.05414	2.3
313.09293	20.9
314.04129	0.7
314.09555	1.3
339.07208	0.5
357.89325	0.4
380.96313	0.4
404.34528	0.4
453.14120	0.4
465.10333	32.9
466.10645	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	463.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03323	3.4
59.01253	75.6
61.98717	1.3
65.00184	1.9
68.99671	0.9
69.03320	1.3
71.01260	20.1
71.58508	1.5
72.64548	0.9
72.99172	2.4
73.02821	4.9
74.96161	0.9
74.96960	0.9
75.00755	2.0
75.39487	0.8
76.37487	1.0
80.80095	1.0
81.47463	1.0
83.01287	3.8
83.04907	1.2
85.02823	6.8
86.38054	0.9
87.00773	4.1
89.02313	5.7
93.03351	1.1
95.01271	1.3
96.95922	1.7
97.02831	1.9
99.00779	2.8
101.02316	8.0
108.02053	1.6
113.02330	9.1
121.42531	1.0
125.02360	2.3
125.09550	1.0
136.01709	1.0
143.03358	1.3
144.04456	21.7
145.02852	1.7
151.00261	2.7
151.03926	2.6
161.04521	2.9
163.03888	1.8
163.11237	1.1
163.82681	0.9
165.01837	6.1
166.02185	2.3
167.02402	2.0
183.13837	8.1
192.99487	1.0
197.34096	0.9
199.13368	1.8
209.11790	34.0
209.13753	1.9
210.12175	1.3
214.02815	1.4
215.03342	1.4
221.19090	14.8
222.19554	1.4
227.12839	11.7
229.05125	1.3
239.20233	3.5
253.09210	5.1
255.02882	1.1
257.12961	10.7
265.18066	9.4
271.02548	1.4
276.39896	1.1
283.19217	11.2
284.19537	1.7
287.22504	1.3
299.05563	7.1
300.02744	2.1
300.06052	8.1
301.06274	14.7
301.11786	10.9
301.20203	16.9
302.04196	4.6
302.12323	1.1
398.62469	1.0
403.27426	1.5
445.24335	4.9
463.11862	2.1
463.25681	100.0
464.26270	9.5
466.96198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.20807	1.4
54.07083	1.5
56.91978	1.7
57.03325	5.3
59.01250	21.5
61.98704	4.2
65.00195	3.2
71.01260	9.1
71.48914	2.3
74.38418	1.5
74.73655	1.7
83.01266	5.7
85.02827	3.2
85.31602	1.6
89.02342	3.2
90.08282	1.4
91.02211	1.6
101.02325	3.5
107.01293	8.0
109.02859	3.7
113.02346	2.8
119.03461	2.6
121.02861	2.4
123.04425	5.2
125.02335	100.0
126.02682	2.2
137.02315	4.3
139.03888	3.8
148.28340	1.6
149.02324	12.4
151.00278	26.0
151.03844	2.3
152.01096	2.2
153.01848	27.6
158.59111	1.5
165.01768	2.8
167.03273	1.6
169.01294	3.1
174.03206	2.2
175.00278	5.2
175.03885	7.9
177.01849	20.4
178.99791	22.8
181.01364	14.4
189.05479	4.1
191.03442	2.6
195.02953	2.7
199.03981	5.2
201.01999	1.9
217.05061	6.8
241.04988	4.4
255.09270	1.7
257.04395	2.6
259.06100	3.5
275.05609	24.0
284.03314	1.9
285.04044	48.0
286.04395	4.1
299.05447	7.4
303.05121	62.9
303.08624	3.5
304.05521	4.9
306.91467	1.7
314.76779	1.6
341.05228	8.2
343.06802	4.2
355.94769	1.8
405.21390	3.2
447.09152	4.6
465.10031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03315	5.5
59.01254	100.0
59.04170	2.1
61.98706	5.3
63.89294	2.5
70.33905	9.3
71.01258	45.5
72.92023	2.1
72.99178	2.7
73.02825	10.8
75.00748	3.3
83.01253	7.4
84.44044	2.2
85.02824	20.7
87.00772	3.3
89.02320	19.0
95.01273	3.3
99.00759	7.4
99.04409	3.6
99.60334	2.5
101.02321	28.4
102.06735	2.8
113.02324	17.8
119.03383	3.4
123.08063	4.0
128.80197	2.6
161.04459	20.1
161.09694	4.9
165.84702	2.7
179.10707	2.7
193.12318	4.8
205.12320	5.6
207.61252	2.4
223.13342	3.9
241.14455	32.2
242.14760	4.0
249.06366	2.8
267.07141	5.0
272.02496	3.2
300.02368	2.6
301.03455	5.7
403.19705	46.0
404.20126	5.7
442.85605	2.4
463.17972	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28004	0.4
52.75158	0.4
57.03344	0.6
59.01255	1.6
71.65113	0.4
73.68383	0.4
78.95776	7.7
83.23528	0.5
98.20552	1.1
110.98414	5.1
113.09604	2.2
121.02861	0.6
139.07785	0.4
167.01060	2.0
179.14351	1.2
185.02135	5.5
195.13860	15.8
196.14195	0.8
277.21725	14.6
278.21964	1.4
295.22784	100.0
296.23135	8.5
300.02628	0.6
463.24670	13.6
464.24878	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	7.9
59.01254	100.0
60.01566	3.9
61.98712	12.0
71.01252	40.2
71.36793	7.1
73.02824	14.3
85.02832	12.2
89.02338	16.1
91.05965	3.9
95.02200	3.4
99.00717	6.4
101.02329	30.2
113.02335	15.2
119.03375	7.6
121.06546	4.2
135.91731	3.9
151.07520	4.3
161.04446	22.8
161.09645	6.0
163.11168	12.0
179.10712	12.7
205.12306	14.1
223.13292	13.6
229.67387	3.7
232.74573	3.6
241.14424	26.3
244.66121	3.7
301.03506	5.4
349.74017	4.4
399.55524	4.4
403.19724	52.7
404.20349	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03318	1.4
58.00484	1.3
59.01253	100.0
60.01591	1.4
61.98694	3.2
69.03336	0.6
70.08958	2.8
71.01257	31.0
72.01588	0.7
72.99185	1.6
73.02824	18.3
75.00740	1.3
79.47528	0.6
80.36259	0.5
81.03359	0.7
83.01250	3.3
85.02825	7.1
87.00775	1.8
89.02318	30.7
95.01297	2.6
97.02851	0.9
99.00759	52.1
100.01119	1.0
101.02327	19.0
105.01850	1.1
111.00836	1.0
112.01617	0.8
113.02327	15.2
113.03062	0.9
116.86216	0.5
118.65800	0.5
119.03393	6.0
124.52909	0.5
125.02361	2.6
131.03392	6.3
131.14917	0.6
143.03421	2.5
144.01457	0.5
144.46136	0.5
149.04468	15.2
155.03404	1.5
159.02908	0.6
161.04460	7.3
179.05548	2.2
183.13872	0.8
188.82027	0.5
191.05544	21.1
192.05951	0.8
203.05557	6.3
209.11852	2.0
227.12947	1.4
233.06647	1.2
268.50958	0.6
289.16571	1.8
301.20276	1.5
329.22498	1.0
357.93445	0.7
389.71234	0.6
421.20770	14.3
421.27164	0.6
422.21231	1.4
462.74323	1.7
463.11713	1.0
463.21423	14.9
464.22412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00618	0.2
55.01751	0.4
55.80127	0.1
56.27426	0.2
57.03315	0.5
58.00478	0.2
59.01254	9.2
69.41148	1.6
71.01256	6.1
72.99186	0.4
73.02827	1.5
75.00781	0.2
83.01249	0.8
83.04903	0.2
85.02829	1.6
87.00771	0.8
89.00841	0.2
89.02319	5.4
95.01264	0.7
97.02839	0.4
97.06470	0.4
98.20560	0.4
99.00767	0.4
101.02322	6.7
103.03916	0.2
111.08025	0.8
112.13931	0.1
112.78186	0.2
113.02331	2.9
119.03412	1.2
125.02384	0.5
131.03358	0.3
133.04973	0.5
135.59549	0.2
143.03380	0.5
157.04951	0.2
161.04469	1.6
165.12767	8.2
166.13080	0.4
179.05479	0.6
183.13834	100.0
184.14165	6.5
209.11763	1.6
218.88544	0.2
227.12849	7.5
228.13206	0.7
235.08206	1.0
253.09265	7.2
254.09570	0.4
301.16403	0.2
445.20959	0.6
463.21860	38.9
464.22144	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26633	0.5
55.01757	4.1
57.03328	3.0
58.00473	1.3
59.01252	100.0
60.01583	1.1
63.75698	0.5
69.03319	0.9
69.40865	4.1
71.01254	41.9
71.04898	0.6
72.01578	0.6
72.99188	1.4
73.02822	21.8
75.00765	1.3
81.03352	0.4
83.01255	6.8
85.02825	20.1
86.03183	0.5
87.00771	2.2
89.02325	6.4
95.01263	3.2
96.95928	0.7
97.02843	1.5
99.00202	0.3
99.00761	10.9
101.02328	27.0
102.02660	0.6
111.00726	1.0
112.01578	0.9
113.02335	17.5
116.31023	0.4
125.02349	1.8
127.11202	1.9
129.01869	0.7
131.03416	2.2
133.67111	0.4
139.03923	0.8
141.97656	0.4
143.03456	2.2
155.03531	0.5
157.16508	0.4
159.02934	3.0
161.04485	10.1
183.13849	1.0
191.05664	0.7
195.13795	0.4
203.05473	0.6
223.13350	0.9
271.15494	1.8
289.16592	18.1
290.16901	1.4
331.17596	1.9
403.19733	1.0
421.20782	33.7
421.57401	0.5
422.20966	3.5
463.21881	28.4
464.22189	4.2
476.89774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.00472	0.7
59.01253	100.0
60.01581	1.4
60.63183	0.4
69.32542	1.9
69.32969	3.7
71.01257	13.5
71.04900	2.9
72.99174	0.7
73.02851	0.6
75.00729	1.1
83.01269	0.6
85.02837	2.2
87.00781	0.9
89.02316	20.4
90.72218	0.5
95.01260	0.9
101.02324	9.3
106.27824	0.5
113.02319	6.1
119.03387	11.0
119.08608	0.5
121.08533	0.5
126.62379	0.5
131.03413	1.1
143.03445	1.8
149.04489	1.4
151.00314	0.5
152.53159	0.5
161.04468	2.8
179.05527	8.7
179.06981	0.8
196.42863	0.5
200.34735	0.5
209.11784	3.8
223.13451	2.5
223.58759	0.5
227.12851	0.8
255.02951	0.6
276.75281	0.6
300.02765	1.0
301.03540	2.1
388.62198	0.5
403.19690	9.4
403.25079	0.6
404.19864	1.3
463.08865	1.3
463.18314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
56.90757	0.4
57.03329	0.8
58.00481	0.5
59.01254	10.8
60.01619	0.4
68.29565	0.4
69.23542	4.6
71.01260	6.1
72.99187	0.7
73.02822	0.9
75.00745	0.5
80.02557	1.3
81.03345	1.4
83.01263	0.4
83.04901	5.1
84.02035	1.6
85.02833	1.9
87.00743	0.8
89.02322	4.1
94.52053	0.4
95.01270	0.6
97.06457	0.5
99.00758	0.8
101.02316	3.9
113.02335	2.9
119.03368	1.0
125.05908	0.4
135.08055	0.8
143.03389	0.7
146.66963	0.4
151.00237	0.9
152.52809	0.4
161.04474	1.5
163.11214	3.7
164.11565	0.5
165.12793	2.6
174.68475	0.4
181.12251	0.8
191.10748	1.1
199.13281	0.6
209.11777	100.0
210.12117	5.1
227.03438	0.6
227.12852	17.1
228.13222	1.1
235.08145	0.6
253.09296	12.9
254.09526	0.5
255.02954	1.1
271.02441	0.9
275.98553	0.5
284.03137	0.9
285.03409	0.7
286.03925	0.6
287.01956	0.7
300.02829	0.9
300.06030	0.5
301.03439	0.9
301.06549	0.9
301.12769	1.1
315.01529	0.9
325.81976	0.5
463.08975	1.2
463.21426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.24419	0.2
57.03318	0.4
58.00464	0.4
58.79376	0.2
59.01255	5.8
64.79328	0.2
69.03352	0.2
69.54637	1.2
70.38214	0.2
71.01254	3.6
72.99181	0.2
73.02840	1.3
83.01261	0.4
85.02831	1.1
86.07845	0.2
87.00757	0.8
89.02323	3.0
91.03905	0.3
95.01276	0.3
97.02883	0.2
97.06470	0.2
99.00766	0.4
100.16734	0.2
101.02324	3.3
111.08041	0.9
111.86593	0.2
113.02329	1.8
119.03403	0.8
131.17781	0.2
133.04918	0.4
143.03441	0.2
157.04977	0.2
161.04469	1.1
165.12767	7.2
166.13046	0.4
179.05537	0.4
183.13832	100.0
184.14168	5.9
191.10744	0.2
195.33473	0.2
195.88472	0.2
209.11787	1.0
227.12846	9.3
228.13142	0.3
230.83943	0.2
234.69463	0.2
235.08182	0.9
253.09288	4.9
253.11888	0.3
254.09561	0.3
445.21024	0.5
463.21854	40.9
464.22180	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	463.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06476	1.4
52.15655	1.2
55.01753	1.7
57.03327	7.0
58.00449	1.5
59.01252	72.8
59.85621	1.2
68.99698	2.8
69.03328	2.6
71.01250	31.7
71.04906	1.9
71.57719	1.4
72.99173	8.3
73.02833	6.0
75.00749	20.1
81.03336	1.7
83.01273	1.8
83.04906	2.3
85.02820	26.2
87.00751	9.9
89.02318	8.5
93.03326	2.3
95.01281	4.8
97.02869	1.5
97.06470	3.6
99.00759	13.9
101.02322	10.0
103.00261	2.1
111.00738	1.4
111.04399	1.9
113.02336	26.5
115.00300	2.3
117.01857	3.2
119.03328	1.6
125.02317	1.8
137.77745	1.2
145.02855	3.1
151.11195	31.4
152.11600	2.2
157.01273	1.6
160.03987	3.3
161.02345	2.6
161.04529	3.6
165.12737	1.4
169.12270	47.3
170.12614	3.2
174.24597	1.3
175.02365	1.9
175.03940	1.4
176.38747	1.3
183.13850	3.2
201.11292	2.9
209.11784	5.4
213.11307	9.3
227.12834	2.3
231.05086	2.2
249.06160	18.3
253.09250	1.6
255.02895	1.4
257.12988	2.1
265.18094	4.0
267.07208	30.9
268.07394	1.7
283.19159	4.5
284.03333	1.8
287.14960	3.6
301.03500	4.5
301.07138	4.9
301.11472	1.6
345.22726	5.2
364.80524	1.4
445.17136	2.4
463.18253	100.0
463.25403	29.7
464.18573	11.4
464.25009	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	463.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.9
59.01251	100.0
61.98701	6.0
71.01257	41.9
71.57410	4.7
72.99181	7.3
73.02821	7.6
74.02314	2.5
75.00750	50.3
83.01256	5.2
85.02841	18.4
87.00756	7.4
89.02316	30.7
93.03339	7.6
94.57993	2.5
95.01271	5.2
99.00750	6.3
101.02306	20.4
108.02031	3.2
109.02837	4.8
113.02330	30.5
115.00257	3.5
119.03365	12.6
121.02823	5.0
123.04400	4.4
128.03308	2.4
133.02847	5.5
137.02441	3.5
139.03946	3.4
143.03397	6.0
143.04449	2.6
145.02875	3.5
149.02325	2.9
151.00247	8.4
151.03882	7.7
161.04469	6.2
163.42726	2.8
177.01849	7.2
179.05515	7.5
195.02913	2.8
201.53709	2.5
204.13068	2.4
209.11797	9.8
211.13474	2.5
211.20728	2.4
231.04897	2.9
249.06171	13.5
267.07208	22.3
287.16483	3.0
300.02609	4.9
301.03336	13.3
303.25180	3.1
373.18781	3.3
392.87769	2.8
403.19604	12.0
421.21118	3.0
463.09009	4.5
463.18085	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	463.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05790	0.5
57.03328	1.1
59.01254	7.1
63.02278	3.3
65.00198	8.4
69.31071	0.9
69.31480	4.7
70.97195	0.5
71.01237	0.9
80.02534	0.6
81.03312	0.7
83.01266	4.5
89.02320	1.1
89.06049	0.6
93.03326	0.8
95.01260	0.7
96.07503	0.5
98.20569	1.0
101.02326	1.5
107.01275	15.1
108.02078	6.4
109.02861	0.7
121.02837	0.7
123.00744	0.7
123.04413	2.6
124.01633	0.6
125.02351	7.0
133.02945	0.5
134.03633	22.8
135.04451	3.2
136.01561	2.9
137.02286	0.7
149.02379	1.3
149.05995	15.3
151.00281	45.5
152.00740	0.9
153.01866	0.8
161.02303	0.6
164.01082	6.5
164.98254	0.7
165.01814	2.3
169.01376	2.6
174.03156	1.1
174.64313	0.5
175.00113	1.1
175.03915	0.7
177.01883	4.0
178.99805	1.2
183.13733	0.6
184.27124	0.5
193.01311	1.0
196.00067	3.7
199.03903	1.5
201.01886	1.3
203.03409	1.5
203.75670	0.6
209.11787	1.2
214.02730	0.7
215.03526	1.4
215.07039	0.6
231.02982	1.2
242.05931	0.8
243.02971	1.9
255.02896	0.7
257.08145	1.1
259.02423	3.2
268.03763	2.0
271.02463	6.5
271.19107	1.5
273.07742	1.8
283.06122	2.2
284.03116	0.9
285.03998	1.2
286.04800	2.0
287.01941	6.4
298.04636	0.6
301.03763	6.0
301.07156	100.0
302.04089	0.9
302.07501	7.3
315.01443	9.2
316.02213	19.3
317.02676	1.7
325.07230	1.2
330.03790	1.0
331.04572	14.4
332.05032	1.2
343.08173	2.3
345.22516	0.8
448.06335	2.0
463.08868	13.9
463.12912	3.3
463.26230	3.2
464.08463	1.0
464.13800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.2
59.01251	10.0
67.75732	0.6
71.57733	0.6
75.13656	0.5
78.95777	9.3
83.04892	0.6
85.06448	0.7
96.95922	1.0
97.06480	0.9
109.06486	1.0
110.98412	6.6
113.09614	16.6
114.09956	0.7
121.10105	0.6
121.95579	0.6
125.09584	0.6
139.11194	1.1
144.90019	0.5
149.09653	0.5
152.99495	0.7
160.60452	0.6
167.01028	2.8
167.10724	2.2
171.10191	1.2
177.12680	0.9
177.60019	0.5
179.10701	1.6
183.13805	1.0
185.02113	5.3
195.13847	2.4
207.10187	1.0
225.11295	0.8
235.16893	0.8
249.22214	2.0
275.17502	0.6
275.19980	2.8
293.21237	100.0
294.21573	11.7
406.13834	0.7
461.23029	9.0
461.28403	1.4
462.23343	1.4
472.36133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2908
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.14328	2.0
57.03312	3.0
58.88832	1.9
59.01248	19.0
61.41158	1.9
69.03307	2.6
71.37074	2.3
78.95777	5.4
83.04908	6.3
83.19549	1.9
86.05339	2.3
88.58174	2.1
94.48724	2.3
97.06446	3.5
109.06470	6.2
111.08078	3.3
135.08051	4.4
137.09636	5.3
152.99471	4.4
203.14317	3.4
207.10191	2.7
225.11253	3.3
231.17516	3.8
237.14973	2.6
279.23288	25.3
293.21405	3.2
315.26917	7.4
325.25385	9.7
341.24960	10.6
343.26468	11.7
346.97977	2.4
351.23145	3.6
359.25931	16.5
360.26401	2.7
369.24344	25.7
370.24542	4.5
387.25418	79.2
388.25537	13.3
443.28098	3.8
461.19662	3.9
461.29050	100.0
462.29559	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	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.61935	0.6
59.01256	5.3
65.00198	1.2
69.43996	1.7
69.44405	4.9
71.01265	1.0
73.02803	0.7
74.50890	0.6
77.30279	0.5
83.01278	1.5
93.03300	0.7
101.02334	0.8
107.01244	3.8
108.02038	1.7
109.02836	1.5
114.21376	0.6
121.02837	1.9
125.02331	1.1
135.00760	1.1
145.02849	0.8
148.01530	1.6
151.00272	12.4
151.03899	1.6
152.01071	0.8
163.00282	2.8
163.03902	0.9
164.01048	1.8
169.01271	1.2
178.99791	6.4
187.03966	1.1
199.03944	1.4
201.05418	0.9
203.03482	1.1
209.11752	1.7
211.03912	1.1
215.03453	1.7
216.04205	1.3
226.02655	1.5
227.03467	5.0
227.05510	1.0
227.12923	1.5
228.04175	1.0
229.05006	1.0
234.81042	0.7
243.02992	12.0
244.03412	1.3
245.04475	0.9
254.02191	2.9
255.02975	27.0
256.03345	2.6
271.02496	67.7
272.02948	6.8
273.04163	1.2
283.02515	1.6
299.02106	1.6
300.02750	100.0
301.03488	43.0
301.06747	1.3
302.03952	4.2
316.02249	1.3
342.86365	0.7
343.04675	0.7
463.08823	50.2
464.08835	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	463.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.9
59.01251	100.0
61.98701	6.0
71.01257	41.9
71.57410	4.7
72.99181	7.3
73.02821	7.6
74.02314	2.5
75.00750	50.3
83.01256	5.2
85.02841	18.4
87.00756	7.4
89.02316	30.7
93.03339	7.6
94.57993	2.5
95.01271	5.2
99.00750	6.3
101.02306	20.4
108.02031	3.2
109.02837	4.8
113.02330	30.5
115.00257	3.5
119.03365	12.6
121.02823	5.0
123.04400	4.4
128.03308	2.4
133.02847	5.5
137.02441	3.5
139.03946	3.4
143.03397	6.0
143.04449	2.6
145.02875	3.5
149.02325	2.9
151.00247	8.4
151.03882	7.7
161.04469	6.2
163.42726	2.8
177.01849	7.2
179.05515	7.5
195.02913	2.8
201.53709	2.5
204.13068	2.4
209.11797	9.8
211.13474	2.5
211.20728	2.4
231.04897	2.9
249.06171	13.5
267.07208	22.3
287.16483	3.0
300.02609	4.9
301.03336	13.3
303.25180	3.1
373.18781	3.3
392.87769	2.8
403.19604	12.0
421.21118	3.0
463.09009	4.5
463.18085	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84365	0.6
59.01229	2.7
72.61774	0.5
73.62102	0.6
73.66097	0.5
78.95782	13.8
98.20667	1.2
110.98409	10.1
111.08033	0.6
112.58424	0.7
114.94108	0.6
120.71347	0.6
121.10088	1.2
152.99434	0.7
167.01080	6.8
171.10179	4.1
179.14249	0.9
183.13774	1.0
185.02130	6.8
195.13829	8.6
196.14412	1.0
205.12158	1.2
205.15837	0.6
211.13356	1.3
223.13347	9.2
228.13673	0.9
235.16925	1.6
256.13138	2.2
275.20166	11.7
276.20612	1.2
282.05429	1.1
283.06058	0.8
293.21231	100.0
294.21591	9.3
338.13995	0.7
396.52277	0.7
461.23114	21.9
462.23413	3.0
468.93942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16438	0.7
56.25836	0.8
59.01250	9.3
61.07524	0.6
71.01273	1.2
71.04901	1.1
71.57229	0.9
71.57616	1.0
78.95776	17.5
85.02776	0.7
109.06479	2.8
110.98413	13.2
121.10110	1.4
152.99486	1.1
161.09593	0.7
167.01042	7.8
171.10178	2.9
179.14288	1.0
181.12230	1.1
183.13791	1.1
185.02106	7.7
195.13805	8.7
196.14188	0.6
207.10205	6.4
211.13367	1.2
223.13284	5.3
225.11340	2.9
228.13628	1.4
231.21254	1.5
235.16991	14.6
236.17238	0.9
249.18562	0.9
253.09039	1.5
256.13116	1.2
275.20148	31.0
276.20483	3.6
283.06137	1.4
293.21222	100.0
294.21503	9.0
369.01807	0.7
392.15875	1.0
441.53534	0.7
461.23267	22.9
461.29398	0.9
462.23547	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57048	0.3
59.01252	100.0
60.01583	1.2
70.40491	1.7
71.01260	5.0
71.85023	0.5
72.99194	0.7
73.02837	1.8
75.00755	0.6
83.01252	0.6
84.70570	0.4
85.02834	1.7
87.00772	0.9
89.02317	2.8
95.01250	0.6
98.19860	0.4
98.78782	0.4
99.00755	0.9
101.02321	3.4
107.01286	0.5
113.02347	1.8
119.03438	1.0
137.02431	0.6
143.03404	0.4
145.02817	0.5
151.00287	2.6
153.01845	0.4
161.04445	2.9
168.03079	0.5
175.00307	0.7
179.05580	0.6
199.03886	0.5
215.03571	0.5
225.11269	1.8
227.03499	1.3
235.08261	0.7
241.01486	0.7
243.02998	0.4
245.01328	0.5
249.06142	0.6
255.03003	2.0
270.01785	0.7
271.02490	3.7
283.02554	0.8
284.03256	1.3
298.01160	0.8
299.01993	6.6
299.05396	0.7
300.02332	0.5
341.05420	0.6
359.16913	1.0
401.17484	0.8
401.22525	2.1
461.06537	2.5
461.20532	1.9
461.62576	0.8
462.07941	1.8
462.20355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03326	11.6
58.00479	1.4
59.01253	100.0
60.01590	1.9
61.01674	1.3
69.03324	1.2
71.01255	39.3
71.58862	1.0
72.98814	0.6
72.99186	3.0
73.02821	34.0
74.03167	0.6
75.00759	1.9
81.03308	1.3
83.01258	6.8
85.02824	10.2
87.00759	2.1
89.02318	29.4
90.50063	0.7
95.01264	2.6
96.95934	1.2
97.02839	1.9
99.00761	88.0
99.04391	7.0
100.01108	1.8
101.02322	26.6
109.02866	1.5
113.02339	17.1
119.03400	4.4
125.02345	7.5
129.01810	0.9
131.03383	9.8
135.04410	0.7
143.03441	4.2
149.04462	21.7
155.03351	2.6
161.03186	1.1
161.04465	10.7
179.05450	0.7
181.12199	1.1
191.05542	31.7
192.05806	1.6
203.05533	12.0
207.10095	0.9
211.13322	1.2
225.11229	3.4
233.06567	2.6
246.26326	0.8
253.09160	1.1
255.03085	0.8
257.08102	1.5
299.14929	1.5
317.15988	8.0
359.17206	1.0
399.20087	0.7
401.21399	0.9
419.18707	4.9
461.20001	5.7
461.24246	2.8
462.20581	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	28.1
57.34578	2.3
59.01253	96.6
69.03383	2.5
69.82146	13.1
71.01257	24.6
72.99191	6.4
73.02827	7.3
76.44958	2.1
83.01241	4.1
85.02826	8.9
87.00733	3.0
89.02315	24.9
93.03423	1.9
95.01275	2.9
99.00789	2.8
101.02325	18.2
109.06482	4.8
113.02332	14.8
119.03375	10.6
119.04906	3.5
123.04401	5.0
123.08042	24.6
124.50661	2.3
125.02329	5.7
125.09611	3.7
128.03445	2.9
132.85086	2.0
135.08090	12.9
136.34651	2.2
140.34331	2.3
143.03403	4.2
151.11189	9.5
161.04471	7.5
164.29536	2.5
175.11357	2.8
179.05533	9.6
193.12280	9.2
195.13849	60.1
196.13972	2.5
202.71167	2.7
221.00810	2.6
221.11804	24.6
222.12131	2.6
239.10423	4.9
239.12857	100.0
240.13213	9.5
249.06210	4.7
263.12860	2.8
267.07123	4.9
270.63571	3.3
281.13947	2.7
299.02054	2.3
312.51276	2.4
341.06461	3.6
401.17953	4.1
461.16852	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.82087	9.2
71.01250	19.4
73.02825	4.4
83.01262	2.1
85.02831	6.6
89.02339	6.0
97.02814	2.1
99.00783	2.1
101.02324	10.5
109.06423	1.6
113.02342	7.6
113.13083	1.4
119.03431	3.4
121.06498	4.2
136.83405	1.5
151.07497	2.4
159.02884	2.1
161.04460	27.9
173.09645	5.5
175.07574	3.8
189.09175	1.7
191.10713	63.7
192.11102	2.3
203.10745	10.9
210.81123	1.7
221.11774	34.1
222.12177	2.4
222.89615	1.5
239.12825	4.3
239.26019	1.7
304.34070	1.5
365.67172	1.6
383.17371	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03337	4.3
59.01251	46.4
67.01773	1.8
68.99687	2.3
69.03324	2.2
70.89065	2.4
71.01253	30.8
72.99187	8.5
73.02820	3.9
74.22964	0.8
75.00748	20.3
75.98444	0.9
81.03331	1.7
83.01271	2.6
83.04906	2.6
85.02827	27.8
85.03351	1.4
87.00755	9.9
89.02336	6.3
91.49529	0.9
93.03326	1.3
95.01263	6.8
95.04916	2.1
97.02834	2.5
97.65076	0.8
99.00755	14.4
101.02306	4.8
103.00256	2.5
106.04076	1.0
107.04923	1.0
109.02808	1.2
109.06515	2.5
111.00773	2.2
113.02335	24.9
115.00281	2.9
115.03873	1.0
117.01848	3.8
129.01805	2.7
131.08546	1.0
144.79950	0.9
149.09621	17.1
149.10788	1.0
150.09993	1.5
151.00311	1.2
156.81268	0.9
157.01318	2.7
161.04504	1.0
163.11200	1.4
165.01839	1.2
167.10692	86.2
168.11050	4.6
175.02417	4.5
180.71748	1.0
181.12285	3.2
185.11801	1.0
197.11765	1.0
205.07047	1.3
207.10196	12.6
208.10533	1.1
211.09718	13.0
212.10210	1.2
225.09000	1.0
225.11288	20.6
225.13577	1.3
226.11719	1.8
231.05013	1.3
243.12334	3.0
249.06149	19.5
253.09271	2.1
255.02986	23.4
256.03412	2.0
257.11801	2.2
267.07281	8.3
269.04544	9.6
283.02496	21.0
284.03189	9.5
285.13409	10.9
286.13873	1.0
297.04010	24.2
298.04813	14.8
299.05496	5.9
303.08771	1.0
343.21201	1.7
399.16650	12.7
400.16824	2.0
401.14835	0.9
417.17737	1.9
421.61136	0.9
443.15482	5.3
461.10776	37.5
461.16705	100.0
462.11066	4.2
462.17014	14.2
462.23224	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.1
58.00473	0.7
59.01253	100.0
59.08378	0.5
60.01583	1.1
61.21985	0.5
62.63952	0.5
69.63885	3.7
69.87483	0.5
71.01257	12.8
71.04890	0.8
72.99194	1.7
73.02824	1.2
73.04027	0.5
75.00760	2.6
83.01262	1.0
85.02824	3.8
87.00776	1.5
89.02318	16.7
95.01283	0.7
99.00768	0.7
101.02325	7.9
113.02345	6.2
119.03394	7.7
129.29042	0.6
131.03465	1.2
143.03444	1.8
149.04462	0.8
150.03096	0.7
151.00220	0.5
161.04515	2.3
163.07506	0.6
168.02882	1.1
177.12880	1.6
179.05518	5.4
193.01414	1.1
197.45979	0.6
207.10280	0.8
221.11813	2.9
224.20323	0.6
225.11299	0.7
227.03508	0.6
245.10435	0.6
249.06163	1.2
255.03015	1.6
267.07309	2.5
270.01889	0.8
271.02457	1.8
283.02551	0.9
284.03247	3.1
299.02075	3.3
299.05704	3.2
383.17303	0.8
401.18106	4.2
461.07010	1.2
461.16431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1451
Annotation	Exoticin
Peak:m/z	Relative Intensity
55.01751	0.6
57.03315	0.5
58.00451	0.6
59.01250	33.2
60.01586	0.6
61.98696	0.4
65.03831	3.8
67.01761	1.5
69.03315	0.6
69.46832	0.6
69.47229	2.7
71.01254	16.0
72.01571	0.4
72.99181	1.1
73.02816	13.8
73.80529	0.3
75.00733	0.9
83.01260	4.5
85.02819	1.8
87.00743	1.1
89.02312	2.4
91.01762	6.7
93.03319	0.3
95.01261	0.9
95.04906	0.3
97.02824	0.5
99.00743	1.2
101.02317	9.9
107.04919	0.6
108.02074	2.2
109.02834	35.1
110.03165	0.7
113.02319	3.6
121.02841	0.4
123.00731	0.5
125.02333	1.0
131.03386	0.5
135.00772	5.9
137.00795	0.3
137.02321	0.9
147.04425	0.8
148.01563	13.2
149.02048	0.4
149.04446	0.4
151.03903	1.8
153.01823	3.9
161.02327	0.6
161.04501	0.7
165.01843	1.4
165.04001	0.5
165.05470	0.7
167.08537	1.5
169.06439	0.9
180.00516	1.9
181.12209	0.3
193.06511	0.9
195.04739	0.3
195.06512	0.5
195.08084	3.4
197.06017	5.0
198.06320	0.6
207.10193	0.7
211.07597	2.7
213.09132	0.6
225.11208	1.3
231.11555	0.3
239.07091	100.0
240.07405	9.1
241.04999	2.4
241.08598	0.7
246.74983	0.3
255.11443	0.6
257.08167	9.4
257.17538	0.4
258.08517	0.9
259.09778	0.4
299.09921	0.3
419.13321	0.6
419.22607	0.4
461.14514	38.9
461.24329	1.4
462.14813	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	461.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06795	0.5
55.01752	0.7
57.03291	0.6
58.00463	0.5
59.01254	36.0
60.01577	0.8
61.88526	0.5
61.98724	0.5
65.03844	4.0
67.01756	2.2
69.03329	0.7
71.00896	0.9
71.01259	13.9
71.58530	0.9
72.99178	0.8
73.02825	8.4
75.00739	1.5
78.79470	0.5
80.02568	0.5
81.89114	0.5
83.01266	3.4
83.04906	0.6
85.02819	4.4
87.00746	1.0
89.02322	10.0
91.01757	3.6
93.03334	5.2
95.01266	2.0
95.04910	0.7
97.02828	1.0
99.00760	16.7
101.02331	6.5
101.03820	0.6
102.02725	0.4
106.06538	0.6
107.01263	1.5
108.02067	3.5
109.02840	78.5
110.03180	2.5
111.00789	0.6
111.04411	1.6
113.02332	5.6
117.03369	4.1
119.03410	1.3
119.04929	3.7
121.02849	10.3
122.03603	2.0
122.06017	0.8
123.00766	0.8
123.04391	1.3
125.02355	1.3
125.91801	0.5
129.01851	0.6
131.03375	2.4
131.04962	0.7
133.02853	1.3
134.03577	0.6
135.00787	6.0
135.04414	1.4
136.01559	4.1
137.02353	26.8
138.02698	0.9
143.03407	1.1
147.04431	17.7
148.01575	27.4
148.04774	0.8
149.02213	1.6
149.04462	4.2
151.03929	1.8
153.01814	3.7
160.86917	0.4
161.02344	2.4
161.04501	3.4
161.05766	0.8
163.11241	1.0
165.01851	75.0
166.02209	3.4
167.08595	5.5
169.06464	1.2
179.03468	2.3
181.12262	2.6
183.13870	1.3
187.07581	0.5
190.02658	4.5
191.05519	4.5
192.05818	0.5
195.08075	1.8
197.06055	1.2
202.92976	0.5
203.03615	0.6
203.05574	2.0
207.10266	1.1
208.03664	2.3
209.05986	0.8
211.07596	21.3
212.05121	0.5
212.07932	2.0
213.09187	5.7
215.88826	0.5
225.09236	0.7
225.11324	2.4
227.07129	1.0
229.08702	0.5
235.07602	2.9
237.05583	0.9
238.06285	1.4
239.07101	23.9
240.07487	1.8
241.08678	1.6
249.06183	1.1
252.07933	1.6
253.08762	2.6
255.11385	1.8
257.08182	100.0
258.08505	8.4
263.07217	1.0
269.08252	1.7
271.09894	1.7
281.08246	7.9
299.05740	0.8
299.09213	13.1
300.09488	0.9
323.08920	0.6
343.21368	0.6
369.08374	0.5
370.09048	5.4
401.12216	0.9
419.19019	4.9
461.14645	29.0
461.20538	6.7
462.15182	5.0
462.20749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.80363	0.2
59.01257	2.2
60.05600	0.2
65.00198	7.6
69.31561	2.4
69.68018	0.3
70.53806	0.2
71.01260	0.5
83.01273	0.4
85.02814	0.6
89.00199	1.6
89.02319	0.3
89.03843	2.2
91.01766	1.5
93.03315	1.3
97.02827	5.2
98.00103	0.2
101.02320	0.3
105.56722	0.2
106.18970	0.2
113.02334	0.5
121.02847	2.7
123.04425	0.6
124.01558	0.6
127.98082	0.2
129.39557	0.2
131.04831	0.3
133.02855	10.7
134.03166	0.4
139.03896	0.4
149.99507	2.2
151.00226	0.4
157.02800	0.7
159.00818	0.3
163.00261	1.0
165.01846	37.8
166.02176	1.6
175.03925	0.5
178.02667	0.5
183.02888	0.8
183.04388	0.4
196.05243	0.7
198.03185	0.6
199.03894	0.7
200.04630	0.3
201.01891	0.7
211.03940	1.4
212.04788	2.1
213.05560	0.8
214.02655	5.7
215.03111	0.4
216.04236	0.5
219.62360	0.3
223.03979	0.4
227.03445	0.7
227.07065	0.3
228.04263	1.1
229.05005	8.4
230.05341	0.6
231.06558	1.8
238.02719	0.3
239.03488	2.4
240.04242	6.0
242.02177	1.8
243.06596	0.8
253.05028	0.3
255.02960	4.2
255.06609	2.1
256.03720	3.1
257.04480	2.0
266.02155	0.6
271.06134	6.2
272.03531	0.3
272.06665	0.4
281.04590	0.4
283.02551	2.4
284.03256	5.5
285.03482	0.6
298.04865	0.9
299.05600	100.0
300.05930	9.1
341.06842	0.3
386.97702	0.3
461.10983	2.0
461.31021	0.5
462.11514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01249	23.6
66.50344	0.5
68.99666	0.5
69.65302	2.4
69.65711	0.8
71.01248	5.3
72.69215	0.5
72.99173	0.8
73.02814	1.7
75.00732	1.4
81.32480	0.4
83.01244	0.6
85.02818	2.3
85.51676	0.4
87.00730	0.6
89.02319	3.0
91.01727	0.7
94.35863	0.4
95.04921	0.6
97.02821	0.5
99.00757	0.8
99.04417	0.5
101.02325	2.4
107.01267	0.8
113.02350	2.1
119.01283	0.7
119.03378	1.4
121.02816	0.4
129.01779	0.5
135.00752	0.6
137.09598	1.1
148.01588	2.6
151.00247	2.3
153.01868	0.6
158.03644	0.6
161.04456	0.9
169.02779	0.6
169.08601	0.8
183.04465	1.6
187.03844	0.6
199.03876	1.2
200.04710	1.5
207.10289	1.1
210.03017	0.4
211.03931	2.0
212.04648	1.5
214.02676	0.7
221.11772	0.9
225.11285	2.2
227.03461	4.7
228.04089	1.4
239.03491	1.9
239.12830	1.4
240.04143	1.3
242.02051	0.6
249.06052	0.5
255.02968	62.1
256.03455	6.0
267.03027	1.6
268.03729	1.7
269.04538	5.7
271.02512	0.6
281.04572	0.9
283.02472	56.2
284.03238	73.4
285.03598	6.0
295.02762	0.7
297.04053	20.7
298.04779	19.5
299.05594	100.0
300.05942	8.7
313.07217	0.6
321.07904	0.6
341.06693	2.3
343.21146	1.3
401.17896	4.9
402.18152	0.5
446.08563	11.7
447.09222	0.9
461.10907	58.8
461.24185	2.0
462.11423	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
59.01254	96.2
60.01581	1.1
69.03326	2.9
71.01254	12.2
71.04884	1.1
71.58140	0.9
72.99176	1.2
73.02820	5.8
81.03337	0.7
83.01260	1.6
83.04922	0.6
85.02818	3.7
85.06464	0.9
87.00777	2.0
89.02317	9.1
93.03310	0.7
95.01264	1.1
95.04864	0.7
99.00750	1.0
101.02332	10.9
109.06493	0.8
111.08023	0.6
113.02337	7.2
119.03419	3.3
125.02322	0.9
126.62859	0.5
131.03421	0.5
133.86023	0.5
141.01738	0.6
143.03404	0.8
146.08107	0.7
161.04472	3.8
162.69521	0.5
167.10692	3.1
174.01648	0.6
177.12665	0.5
179.05565	1.1
179.10701	1.3
179.14378	3.6
180.14586	0.5
193.53487	0.6
195.13872	10.0
196.14200	0.6
205.12273	9.9
223.13361	100.0
224.13696	8.5
235.08232	0.6
253.09285	16.3
254.09753	0.9
255.10249	0.7
277.12198	0.6
315.25269	0.5
398.67447	0.6
399.23795	1.9
456.50211	0.5
459.22253	2.1
459.29523	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
78.95764	1.2
83.29836	1.2
91.45409	1.2
107.04910	32.8
108.05321	1.3
152.99529	1.9
163.11198	100.0
164.11548	6.0
229.23686	1.1
246.85573	1.4
283.17032	30.2
284.17346	2.9
295.17007	15.1
459.29056	69.4
460.29407	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.6
65.03247	0.4
69.62011	3.0
71.01268	2.8
73.02824	1.3
74.93639	0.4
75.00731	0.7
83.01252	0.6
85.02808	1.4
87.00736	0.6
89.02331	0.9
91.65834	0.4
91.94443	0.4
95.01230	0.5
98.20521	0.8
99.00733	0.7
101.02322	1.0
102.03216	0.4
107.01275	0.8
109.06494	0.8
113.02325	1.7
115.00177	0.4
139.11157	0.5
149.09622	0.5
151.00282	1.1
167.10712	0.7
171.10223	0.4
183.04449	0.6
185.11748	0.5
207.10210	2.8
225.11359	2.0
227.03468	1.4
249.06206	0.9
253.09407	0.6
255.02979	95.0
256.03372	7.5
267.07278	1.6
268.03796	0.8
269.04581	4.3
270.04977	0.7
281.04510	0.5
283.02490	60.0
284.03156	14.3
285.03918	3.4
297.04071	12.8
298.04800	15.7
299.02200	1.0
299.05582	9.9
300.05905	0.8
313.03564	4.4
327.04968	0.6
343.21152	2.2
379.56992	0.4
429.04739	0.5
442.09845	0.4
446.08545	18.9
447.08859	2.7
461.10913	100.0
461.15747	3.6
462.11307	13.0
462.17184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
58.00459	0.8
59.01252	100.0
60.01586	1.5
69.03323	0.6
69.43472	2.4
69.43896	1.0
71.01254	21.4
72.99189	0.6
73.02821	16.8
75.00778	0.4
78.12984	0.4
82.48201	0.4
82.54064	0.4
83.01261	4.4
85.02831	4.9
87.00778	0.6
89.02315	5.7
95.01286	1.3
97.02802	0.4
98.15308	0.4
99.00769	0.6
99.64088	0.4
101.02325	15.7
101.03004	0.8
113.02333	12.6
119.03399	2.0
125.02335	0.5
131.03439	1.7
131.04506	0.7
143.03423	1.5
149.04512	0.9
161.04457	3.0
178.93575	0.4
179.05632	0.5
239.08690	0.4
255.19765	0.9
283.67142	0.4
297.04150	0.7
375.42053	0.4
389.80585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
59.01252	100.0
60.01596	1.2
70.34905	1.5
71.01253	5.1
73.02818	2.0
83.01276	1.1
85.02826	1.7
87.00721	0.4
87.04403	0.6
89.02335	2.4
95.01284	0.5
99.00738	0.4
101.02325	4.2
101.05985	1.0
111.00797	0.6
113.02335	2.6
119.03403	0.9
125.02357	0.8
141.56848	0.3
161.04477	2.1
179.05656	0.5
180.59563	0.3
185.15422	0.5
238.04074	0.3
297.20825	0.7
381.23141	0.7
399.24152	1.6
417.24878	2.3
418.25403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03332	0.5
59.01253	100.0
60.01599	1.2
60.01854	0.2
66.69147	0.2
69.40584	0.5
69.41000	1.5
71.01257	7.2
73.02828	1.3
83.01286	0.9
85.02828	3.8
87.00761	0.2
87.04409	0.6
89.02321	1.4
95.01288	0.9
97.02811	0.3
99.00787	0.9
101.02323	3.1
101.02905	0.3
113.02334	6.4
114.02701	0.3
119.03401	0.3
143.03418	0.4
159.02980	0.4
161.04454	2.3
174.01653	0.2
210.67230	0.2
255.19756	0.2
274.01517	0.3
298.01706	0.2
399.23865	3.6
399.28778	0.2
400.24591	0.8
417.24979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03323	2.0
58.00491	0.4
59.01254	100.0
60.01601	1.0
61.98703	0.6
67.01776	0.5
68.99683	0.7
69.03339	0.7
69.26183	4.4
71.01255	21.1
72.99181	4.5
73.02822	7.2
74.84105	0.4
75.00776	1.0
81.03323	0.5
83.01253	5.0
85.02827	6.2
85.03299	0.6
85.23274	0.4
87.00738	2.5
87.04390	0.9
89.02318	6.9
93.03358	0.5
95.01281	1.2
99.00764	6.0
101.02326	10.4
109.06540	0.4
111.00767	3.3
112.21174	0.4
112.98701	13.6
113.02334	7.1
113.99538	0.6
115.00268	3.6
117.01823	0.5
117.49981	0.4
119.02683	0.4
119.03374	2.2
123.08017	0.3
124.74146	0.3
125.02362	0.7
127.00262	0.5
127.07581	0.4
129.01872	0.7
131.03435	0.5
131.04396	0.4
133.69481	0.5
135.02963	0.5
136.07677	0.4
142.98660	0.5
142.99771	8.4
143.03418	0.8
145.01314	0.9
159.02875	0.5
161.04483	4.4
173.00835	5.1
174.01624	52.5
175.02399	5.2
179.14301	0.6
183.13922	0.4
183.42964	0.4
205.12294	0.7
207.13817	0.8
209.15338	0.5
211.13350	5.5
212.13675	0.5
219.13791	0.8
221.15359	0.5
223.13316	4.2
225.14966	0.9
233.11926	0.5
235.13379	0.8
237.11205	1.0
237.14931	3.2
251.12892	0.7
253.14322	0.7
255.15695	0.4
255.19580	0.5
263.12839	2.9
281.13925	0.5
285.17056	0.8
323.15009	0.4
337.16678	0.5
341.16052	2.4
342.16354	0.4
355.17825	0.8
381.15533	1.6
399.08435	0.5
399.16418	1.1
399.24036	6.4
400.24567	0.6
417.25244	6.7
418.25229	1.0
459.22528	10.2
460.22934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89916	0.6
55.01741	0.8
57.03334	1.5
58.00453	0.7
59.01256	100.0
60.01588	1.6
68.99698	1.0
71.01259	16.9
71.58604	1.0
72.99182	5.3
73.02829	5.0
75.00766	1.6
83.01276	3.1
83.04931	1.1
85.02830	6.9
87.00774	3.0
89.02325	4.5
95.01286	1.2
96.95911	1.4
97.02848	1.1
99.00751	7.4
101.02338	8.8
111.00798	3.0
112.98703	13.8
113.02332	5.7
113.99509	0.7
115.00277	4.8
117.01859	0.7
119.03420	1.8
120.01440	0.6
129.01880	1.1
131.04536	2.0
134.06023	0.7
142.99782	9.4
143.03471	1.4
161.04469	3.7
165.01889	1.0
173.00876	4.3
174.01627	50.2
175.02390	6.9
179.05608	1.1
181.04977	0.8
185.11526	0.8
193.06595	1.4
205.12332	1.1
211.04021	0.9
211.07681	1.0
211.13351	5.2
219.13789	0.8
221.06081	1.1
223.13382	5.2
225.15010	1.0
237.14973	2.5
239.07076	4.7
240.07770	1.3
254.09518	2.3
255.10307	2.4
255.19658	2.1
263.12936	2.4
281.14273	0.9
285.17133	1.2
297.04050	0.8
337.16623	1.3
341.16071	2.8
355.17679	0.8
381.15674	2.1
381.22495	0.8
385.07425	0.9
399.15878	1.1
399.24075	4.0
413.06659	1.7
417.24991	6.4
428.09314	2.0
437.39658	0.8
459.10669	1.8
459.17871	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07199	0.7
57.03331	1.0
59.01253	100.0
59.61481	0.7
60.01597	1.5
70.43212	0.8
70.43585	2.1
71.01255	13.4
72.99194	1.7
73.02820	8.5
75.00776	1.8
75.74046	0.7
83.01270	3.3
85.02821	6.3
87.00771	2.0
87.04404	0.9
89.02327	4.3
95.01296	0.9
99.00768	3.2
101.02326	9.4
104.67076	0.6
111.00753	0.8
112.98710	3.0
113.02337	7.1
115.00282	1.1
119.03444	1.4
125.02385	0.8
131.03525	1.0
131.04553	1.9
142.99802	2.1
161.04443	3.3
167.10713	0.8
173.00797	1.6
174.01611	14.0
175.02275	1.3
185.38344	0.6
193.12228	0.7
195.04460	1.6
210.24194	0.7
211.04201	1.0
211.13451	1.7
223.13480	2.2
237.14984	1.3
237.92671	0.6
239.03473	4.7
248.92703	0.8
249.06009	0.7
254.05927	2.2
255.24181	0.7
267.03003	1.2
282.05316	8.4
282.07831	0.7
283.05603	0.8
297.07669	13.4
298.08047	1.5
300.02618	0.9
399.19754	0.9
399.24207	2.2
415.19748	0.9
417.21002	1.5
417.25757	1.2
459.17917	0.7
459.22604	7.8
460.23105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96611	1.4
57.03321	3.4
59.01251	58.2
60.01586	1.8
69.47776	15.0
71.01260	17.5
72.99184	7.3
73.02826	5.2
75.00745	3.6
83.01257	6.3
85.02806	7.9
87.00776	4.0
89.02302	3.7
98.27127	1.5
99.00771	15.3
99.43916	1.5
101.02325	8.5
108.89716	1.4
109.02778	1.7
111.00780	3.9
112.98695	28.5
113.02309	4.8
115.00258	9.3
116.17930	1.6
118.00665	1.7
119.03430	2.3
121.06472	5.1
124.98734	1.9
127.56831	1.8
129.01804	1.9
132.04439	1.6
134.05971	2.5
135.02887	1.7
142.99759	17.2
153.09146	2.9
161.04512	2.1
166.05022	2.4
173.00819	10.3
174.01622	100.0
175.02393	11.4
177.12650	1.9
183.13719	1.8
191.03429	18.1
194.40324	1.6
205.12320	3.0
209.06525	2.4
211.13351	9.3
219.13878	2.0
223.13376	11.3
235.13512	2.1
237.14874	3.4
255.02907	3.4
263.12915	6.8
267.07022	2.7
267.12375	2.8
284.03250	5.1
285.03772	2.8
297.07526	3.9
323.10242	2.0
341.16147	3.4
355.12964	4.2
367.17456	1.8
369.09952	5.8
381.15387	4.1
417.20963	2.4
459.12903	3.3
459.18314	6.7
459.23196	4.0
471.96185	2.1
476.95020	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	2.0
57.03321	3.8
59.01256	100.0
60.01582	2.6
61.01674	2.5
68.99689	1.7
71.01252	29.5
71.18967	2.2
71.19289	2.6
71.84464	1.7
72.99191	7.6
73.02818	16.2
75.00732	5.3
83.01255	9.5
85.02824	6.1
87.00749	7.3
89.02344	8.7
99.00750	9.5
101.02327	35.3
107.04911	7.8
111.00798	3.7
112.98701	21.6
113.02332	12.3
115.00277	8.0
119.03399	5.9
119.21891	1.9
142.99777	11.8
143.03427	2.0
145.02840	3.8
149.05984	15.6
155.28281	2.1
161.04504	3.7
173.00830	10.0
174.01625	84.9
175.02385	10.6
175.14909	3.9
205.12408	2.5
211.13387	11.2
223.13362	14.8
237.14951	4.5
249.06035	2.0
251.12975	2.3
255.03076	3.5
255.10254	23.8
263.12842	4.5
267.07318	2.7
267.12540	4.5
275.48944	2.4
285.17233	2.1
341.16135	6.9
369.15494	3.6
381.15567	3.1
417.21304	3.9
441.21207	7.0
458.62708	4.6
459.12888	3.9
459.22791	35.5
460.22876	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	459.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.2
59.01254	100.0
60.01580	2.6
60.99205	0.8
61.01645	1.0
61.98698	0.9
69.52778	7.7
71.01257	14.4
72.99203	4.8
73.02830	6.2
75.00740	1.3
81.03269	0.9
83.01265	3.4
85.02831	5.6
87.00773	2.6
89.02313	4.4
94.02836	0.9
99.00740	5.8
101.02322	8.5
106.14657	1.0
111.00781	1.4
112.98689	11.0
113.02328	6.0
115.00262	3.9
129.01828	1.3
130.08659	2.8
139.11133	1.0
142.99780	6.0
149.05957	2.1
161.04474	2.9
162.00554	1.0
173.00865	5.1
174.01619	38.2
175.02411	4.9
193.15828	1.0
194.43735	0.9
211.13335	4.5
223.13339	9.7
237.14949	3.8
240.04224	2.7
255.06596	4.4
255.10229	2.1
255.15955	1.4
263.12906	3.1
269.04565	1.4
283.15475	2.3
297.04053	5.4
341.15927	2.6
381.15399	1.3
417.20871	1.4
450.14026	1.2
459.09180	1.5
459.22629	17.8
460.22620	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29293	0.2
57.03334	0.8
59.01254	100.0
60.01593	1.2
65.72904	0.2
69.35595	2.2
69.36009	0.5
71.01257	4.9
72.99187	0.4
73.02812	1.6
75.00759	0.5
83.01271	0.8
85.02829	1.7
87.00731	0.4
89.02322	1.4
99.00785	0.4
99.04391	1.5
101.02325	3.3
103.66849	0.3
113.02341	1.7
117.03348	0.7
119.03416	0.9
121.02859	1.0
123.04385	0.4
125.02411	0.7
131.03426	0.3
145.02856	1.9
146.03212	0.8
159.03017	0.4
161.04492	3.0
174.01707	0.8
177.09196	0.8
203.69856	0.3
237.07687	0.4
255.03024	0.8
256.03412	0.5
271.02551	0.9
291.08737	0.4
300.02704	1.4
301.03119	0.8
315.14584	0.4
339.14447	0.7
339.35406	0.3
357.15768	1.3
362.32730	0.3
377.09833	0.8
377.59006	1.4
380.91760	0.3
399.16415	1.6
458.62369	0.8
459.18607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08710	0.3
59.01253	100.0
60.01596	0.7
60.84000	0.3
62.45506	0.3
71.01253	4.0
72.99200	0.6
73.02823	1.5
83.01270	0.4
85.02842	1.5
87.00768	0.6
89.02304	2.1
96.95914	0.7
99.00795	0.5
101.02326	2.8
113.02346	1.7
117.03394	0.5
119.03405	1.1
125.02361	0.5
133.02844	0.4
143.03409	0.5
145.02896	0.8
146.03212	0.3
156.71939	0.3
161.02299	0.6
161.04501	1.2
174.01624	0.9
175.03955	0.5
177.01973	0.4
177.09195	0.3
186.20602	0.3
195.10222	0.8
227.03520	0.9
228.03929	0.6
255.02992	1.6
256.00537	0.3
256.03403	1.0
271.02716	0.4
284.03253	1.5
285.03793	0.7
286.04269	0.4
300.02859	0.4
304.56998	0.4
339.14624	0.9
357.15558	2.6
373.68536	0.3
399.16498	3.1
400.16788	0.4
458.62762	1.8
459.12881	0.7
459.22598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	59.2
59.01255	57.9
68.38902	2.1
71.01251	11.8
72.99190	8.0
73.02839	2.8
82.55425	2.0
83.01259	5.8
89.02322	7.0
90.07716	2.1
96.12332	2.1
101.02317	5.9
104.27060	2.1
107.04928	4.3
113.02342	4.0
119.03397	5.1
119.04929	16.1
121.06470	3.1
123.07162	5.3
123.08058	91.7
124.08443	2.9
135.04425	6.4
135.08066	13.4
136.08430	1.9
145.02837	3.3
149.05991	4.8
163.03880	4.2
177.09206	4.7
181.04991	4.2
193.12206	12.7
197.24188	2.8
203.07123	2.5
219.10225	84.4
220.10555	7.2
230.35097	2.5
237.11285	100.0
238.11624	6.1
255.02933	2.7
271.02448	8.9
300.02878	16.2
321.22061	2.1
377.09717	5.0
377.59796	3.3
453.89230	2.3
459.12265	3.6
459.61972	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	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02496	1.6
53.38514	1.7
59.01253	1.9
71.01255	2.8
71.05518	2.4
71.05859	3.0
73.02824	43.5
85.61349	2.0
89.02320	2.3
89.12491	1.8
96.87369	1.8
99.00733	7.2
117.01832	100.0
118.02115	2.5
118.04961	11.0
134.98485	1.7
168.10686	1.8
204.93219	1.7
341.10901	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	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66169	0.4
55.01748	0.8
57.03328	3.5
58.00459	1.0
59.01256	16.8
67.01753	1.1
68.99691	0.8
69.03326	1.5
71.01257	16.3
72.99190	3.3
73.02811	1.4
75.00749	10.8
76.35635	0.5
83.01257	0.9
83.04910	0.9
84.02054	0.6
85.02825	20.0
87.00763	6.2
89.02315	2.9
95.01254	4.4
97.02856	0.4
97.06475	1.5
99.00166	0.7
99.00761	8.6
101.02325	0.6
103.00259	1.6
111.00800	0.8
111.08058	3.1
113.02334	21.6
114.02715	0.7
115.00265	2.2
117.01829	1.9
127.03893	0.8
129.01843	1.4
139.00269	0.6
155.81351	0.4
157.01418	0.5
163.11128	0.6
165.12776	19.5
166.13094	1.2
168.97371	0.4
175.02365	2.1
181.12331	0.9
183.13835	100.0
184.14149	6.2
187.06131	0.9
191.10696	0.6
193.03487	1.8
205.07092	3.7
206.07478	0.5
209.11771	5.8
210.12033	0.6
227.12837	11.9
228.13177	1.2
229.64636	0.5
231.05127	0.5
249.06105	4.0
301.16727	0.8
369.17670	0.6
399.16962	0.5
415.19742	48.9
416.20096	5.5
441.17505	0.6
459.18747	36.4
460.19189	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
59.01254	100.0
60.01588	0.8
70.15958	0.4
71.01258	8.1
71.57849	0.4
71.58224	0.7
72.99186	1.8
73.02835	1.9
75.00755	1.0
83.01270	1.0
85.02832	2.8
87.00767	1.2
89.02325	2.3
95.01300	0.6
96.95882	0.9
97.02840	0.5
99.00760	1.4
101.02322	4.3
111.75158	0.5
112.98718	2.6
113.02364	2.4
113.03407	0.5
115.00251	1.1
117.03374	0.6
119.03433	1.3
119.04964	0.6
123.04495	0.7
125.02348	0.5
134.03729	0.6
134.04633	2.6
135.04437	0.4
142.99715	0.9
143.03430	0.6
149.07767	0.5
150.44353	0.4
153.09138	1.3
161.04468	1.9
163.03989	0.8
163.11215	1.2
164.01735	0.7
165.09131	0.7
173.00958	0.9
174.01620	7.6
175.02440	1.5
175.03961	0.4
191.03578	0.7
205.05029	6.4
211.13383	0.9
219.13821	1.0
223.13335	3.1
227.03545	1.0
233.04512	7.4
235.08315	0.6
237.14876	0.7
249.06017	0.6
251.06699	0.5
255.03014	2.4
256.03287	0.9
267.12466	1.6
284.03137	2.4
285.04010	0.8
296.07294	0.7
339.08768	4.6
341.16370	0.8
344.08264	0.5
355.17639	0.5
357.15631	1.0
369.10205	2.2
369.60315	0.8
399.16739	1.5
458.62726	0.8
459.13120	4.6
459.18521	0.7
460.13675	0.5
468.04395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
56.30359	0.8
57.03323	14.4
58.00471	1.7
59.00950	1.9
59.01251	39.1
65.00178	0.8
67.01748	1.5
68.99686	4.4
69.03323	3.4
71.01256	44.5
71.57514	1.5
72.99179	12.7
73.02827	6.7
75.00750	25.1
81.03369	0.9
82.40725	0.8
83.01273	3.6
85.02824	40.8
87.00748	16.0
89.02321	13.5
91.01775	1.0
91.03903	2.2
93.03335	4.6
95.01249	7.2
96.95884	1.5
97.02823	1.6
99.00758	15.5
99.04401	3.5
100.11320	1.0
101.02323	4.4
102.45776	0.8
103.00266	4.5
107.04951	1.2
108.02056	1.3
109.02878	2.4
111.00799	1.8
113.02332	46.4
114.02662	1.4
115.00255	3.5
117.01832	4.1
117.03367	3.1
118.03674	1.6
119.03415	1.2
119.04909	1.7
121.02840	7.1
122.03156	1.5
123.00769	1.5
123.04404	3.7
124.01566	6.2
125.02341	2.2
129.01840	3.5
131.03412	1.5
133.02893	4.8
134.03580	1.8
135.04445	1.5
136.01556	1.3
136.05171	2.8
137.02328	3.2
137.05995	6.9
138.03090	1.7
139.03951	4.6
145.02890	2.0
146.03174	0.9
147.00778	1.1
147.04405	1.1
148.01578	3.1
149.02324	3.7
149.04491	0.9
150.03133	15.4
151.00269	0.9
151.03926	2.6
153.01816	1.5
153.05496	3.6
154.05850	1.0
157.01332	1.5
159.00789	1.2
161.02312	2.3
161.04488	1.1
163.00311	1.4
163.03918	3.1
164.01067	1.0
164.04314	1.7
165.01823	2.3
165.05522	2.3
165.09149	1.7
168.04245	1.6
169.04495	1.3
175.02394	3.2
175.03860	1.6
176.01070	12.8
177.01831	5.0
180.00478	1.0
190.99808	4.1
191.03418	9.8
192.00607	1.1
192.04028	0.8
193.03461	2.7
193.05037	1.2
193.12225	1.1
194.02118	1.3
195.02928	2.2
207.05058	1.6
208.03746	1.3
209.00919	1.2
209.04495	35.3
210.04805	2.1
211.05927	1.1
218.19214	0.9
219.10133	0.9
231.05006	1.0
237.11324	2.0
243.03160	0.9
248.16722	0.9
249.06142	65.4
250.06427	4.9
255.02913	1.4
256.03247	1.0
267.07205	100.0
268.07712	5.0
269.06796	1.1
271.02493	3.2
272.03058	1.4
283.08310	1.1
300.02652	2.6
301.03174	1.4
367.14072	0.9
427.08429	1.2
441.10229	1.7
458.62341	1.0
459.11539	25.5
460.11832	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16785	0.4
55.01762	0.6
57.03318	1.0
58.00457	0.6
59.01251	100.0
59.60801	0.3
60.01594	1.5
69.03336	0.7
69.30441	0.8
69.30840	4.0
71.01254	16.3
72.99177	0.4
73.02820	6.2
74.16317	0.3
75.00750	0.5
76.25834	0.4
77.86977	0.4
81.03333	1.0
83.01263	2.7
85.02824	5.8
87.00754	1.4
89.02318	7.5
95.01260	1.5
97.02877	0.6
98.95563	0.4
99.00761	4.2
99.04397	0.9
100.69524	0.4
101.02323	10.3
106.04103	0.8
113.02325	10.5
114.01859	0.5
117.03351	2.8
119.03389	1.9
119.04890	3.2
121.06481	62.2
122.06804	2.8
123.00759	0.5
124.01575	1.0
125.02353	0.8
130.08530	0.4
131.03505	0.8
131.04506	0.9
134.03496	0.4
139.03917	0.7
143.03377	1.1
145.02850	8.1
148.05211	7.7
149.05861	0.8
153.17245	0.5
157.13312	0.5
159.02908	1.0
160.01558	1.3
161.04477	7.4
163.03889	0.5
163.07558	6.1
164.07832	0.5
175.03882	1.1
175.38055	0.5
179.05547	1.0
203.05518	0.9
227.03462	1.3
243.02867	1.3
244.03325	0.5
255.02928	2.2
257.04434	0.5
271.02426	2.0
283.02359	0.8
284.03131	2.1
285.03918	0.6
285.57614	0.4
299.02008	2.7
300.02505	1.1
314.04221	2.7
315.04742	0.5
325.12900	1.0
376.84308	0.5
397.22247	0.8
413.24030	1.2
415.16095	6.8
415.21954	0.7
415.22897	0.6
416.16183	1.3
457.11316	3.2
457.17374	6.5
457.62320	1.9
458.17667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03331	0.7
59.01252	100.0
60.01579	1.3
64.25632	0.3
68.54199	0.3
69.03318	0.7
70.91606	0.5
70.91928	0.5
71.01255	18.7
72.01590	0.4
72.99187	1.5
73.02821	13.1
75.00761	1.2
79.36420	0.3
81.03355	0.4
83.01260	3.2
83.04869	0.3
85.02822	5.8
85.03291	0.4
87.00783	0.9
89.02319	6.6
89.02838	0.5
95.01280	1.3
97.02841	0.6
99.00772	1.3
101.02325	13.2
102.02626	0.4
103.17586	0.2
113.02335	9.7
117.03362	0.6
119.03394	1.6
119.04952	0.6
121.02815	0.3
125.02313	0.5
129.01843	0.4
131.03418	1.4
143.03459	0.9
145.02806	1.5
149.04340	0.6
160.01613	0.6
161.04453	3.0
175.03934	0.5
179.05409	0.4
227.03456	0.4
233.15367	0.4
249.06262	0.7
253.18056	0.6
255.03096	0.7
267.07275	0.4
284.03159	0.4
299.02118	0.3
339.90030	0.3
343.51086	0.3
345.70132	0.3
397.22504	1.0
408.31647	0.3
415.23477	1.6
416.23679	0.4
421.21030	0.5
457.12558	0.5
457.21265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
60.00780	77.2
61.68264	1.1
72.92564	1.2
74.48743	1.2
77.48936	1.1
90.46393	1.3
111.72389	1.2
147.08101	2.1
149.09715	2.0
161.09654	1.7
163.11188	2.8
175.07259	1.2
187.11194	1.3
192.69159	1.3
196.05104	1.2
212.92877	1.3
221.39970	1.2
229.80246	1.7
238.60339	1.3
263.92352	1.5
277.21750	2.6
280.14902	1.6
309.22321	3.3
337.21753	100.0
338.22076	15.5
395.46561	1.2
423.68845	1.2
458.23633	9.3
458.70285	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
55.01763	0.9
57.03326	1.0
58.00479	0.7
59.01253	100.0
60.01584	1.1
60.97033	0.2
61.98722	0.3
66.82998	0.3
69.03339	0.5
69.95974	1.2
71.01257	19.1
72.01616	0.3
72.99191	1.3
73.02825	6.4
75.00764	0.8
76.28738	0.2
83.01260	2.0
83.04906	0.4
85.02828	5.8
86.03159	0.3
87.00771	1.1
89.02320	11.3
95.01259	1.6
97.02840	0.7
98.20438	0.4
99.00772	2.3
101.02327	10.4
106.06458	0.3
109.67741	0.2
113.02338	10.9
113.03520	0.4
114.01910	0.3
114.02718	0.3
117.03321	1.2
118.98347	0.2
119.03394	4.5
119.04846	1.5
125.02350	0.5
129.01852	0.4
131.03436	1.1
131.04576	0.7
133.02887	0.5
134.03639	0.9
134.06036	0.3
137.02328	0.3
143.03436	1.3
145.02875	2.9
147.04460	0.3
148.05205	5.3
149.04457	0.4
149.06064	0.5
159.02942	0.4
160.01595	1.2
161.02367	0.3
161.04488	3.6
163.07549	4.4
175.03938	1.7
179.05603	1.0
183.13850	0.6
193.05084	0.3
196.14731	0.2
227.03578	1.0
243.02946	0.5
249.06194	0.7
255.02946	2.5
256.03516	0.5
267.07278	0.3
271.02365	0.5
283.02573	0.6
284.03275	2.0
285.03983	0.6
299.02054	0.7
300.02432	0.3
314.04269	1.3
376.10284	0.3
376.59818	0.3
397.22534	0.9
415.23425	0.9
417.81552	0.3
457.12494	2.8
457.17612	1.7
457.62604	1.6
458.12659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.4
57.03326	25.9
58.00471	1.5
59.01252	85.2
61.98700	0.9
67.01760	2.3
68.99687	2.3
69.03323	3.7
71.01255	44.9
71.57808	0.9
72.99183	8.0
73.02820	13.0
75.00749	28.2
81.03333	1.3
83.01254	3.7
83.04906	8.0
85.02823	33.7
87.00751	10.9
89.02316	9.3
91.03876	1.3
93.03336	2.3
95.01266	6.9
95.04929	0.7
97.02842	1.3
99.00763	18.5
101.02327	10.8
103.00260	3.3
105.06978	0.8
109.02837	1.0
111.00766	1.3
111.04412	1.0
113.02334	45.4
114.02675	1.0
115.00272	2.5
117.01836	4.4
117.03351	1.6
119.03415	1.6
121.06486	100.0
122.06840	3.2
125.02365	1.1
127.14628	0.7
127.66249	0.7
129.01807	3.6
129.07018	1.1
131.03447	1.7
131.04457	0.8
132.36710	0.6
134.03583	1.1
134.07306	0.7
135.04387	1.0
139.00296	0.6
139.03853	0.8
141.56671	0.6
143.03394	1.3
145.02892	1.4
145.10150	2.3
147.08011	1.0
147.95782	0.7
157.01309	1.2
159.02823	1.0
160.01677	1.4
161.02400	1.0
161.04477	7.4
161.09645	2.8
163.11197	13.1
174.84251	0.6
175.02403	3.9
175.03937	1.8
189.03973	1.3
189.09169	2.9
197.49648	0.7
203.05534	2.0
205.07108	1.0
207.05098	1.8
207.10220	21.6
208.10335	0.8
227.03423	1.8
231.05124	5.1
249.06131	48.6
250.06497	2.5
255.03050	2.2
267.07211	70.5
268.07651	3.4
283.02740	1.0
283.11911	0.8
284.03372	2.3
285.04001	0.8
299.01819	1.1
314.04303	1.1
325.12903	2.9
415.16104	13.3
415.21985	1.1
415.23505	0.9
439.16129	1.1
457.17188	62.6
458.17355	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62690	0.3
55.01756	1.3
57.03330	1.4
58.00470	1.6
59.01252	82.2
60.01580	0.9
61.10445	0.4
69.03329	1.0
69.24709	0.4
71.01256	43.5
71.34548	0.7
71.99836	0.3
72.01605	0.5
72.99188	2.2
73.02821	39.9
74.03163	0.5
75.00746	1.2
81.03324	1.0
83.01260	6.7
85.02830	7.8
87.00748	2.1
89.02319	40.9
90.02642	0.5
95.01254	2.1
96.95903	0.5
97.02817	1.8
97.33290	0.3
99.00759	100.0
99.04427	0.7
100.01108	2.3
101.02327	25.1
102.02708	0.5
106.06508	1.0
111.00790	0.4
113.02338	17.6
115.03876	0.4
117.03345	0.8
119.03402	4.0
119.04872	0.5
120.01074	0.4
125.02334	4.8
127.03868	0.4
131.02472	0.6
131.03409	11.0
131.04398	0.8
133.02818	0.8
134.03667	0.5
143.03400	3.7
145.02824	1.2
149.04462	27.6
150.04694	0.8
155.03419	3.6
160.01541	0.9
161.02396	0.9
161.04463	10.0
175.03935	1.3
177.16774	0.4
179.05507	1.6
191.05547	38.4
192.05905	1.8
198.88504	0.3
203.05544	11.6
204.05891	0.8
221.06566	0.7
222.99213	0.4
227.03430	0.9
233.06560	3.0
255.02940	2.1
267.07278	0.6
271.02328	1.0
283.02518	0.4
284.03247	1.9
293.08746	0.9
299.01913	0.7
300.02768	0.9
314.03586	0.4
415.16132	8.3
416.16290	0.8
457.12048	1.4
457.17264	9.5
457.62421	1.4
458.11356	0.6
458.17349	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	456.2398
Annotation	Guan-fu base F
Peak:m/z	Relative Intensity
57.03321	1.2
59.00952	0.9
59.01252	19.8
68.99694	21.4
71.01257	6.4
71.58821	1.0
73.02808	1.9
77.95329	0.5
80.04939	1.2
81.02090	0.8
83.00012	2.8
83.01259	1.2
83.04896	1.0
85.02835	2.4
89.02312	2.3
92.04919	0.7
96.99197	12.3
99.00776	5.1
101.02341	3.2
109.01577	12.5
113.01096	1.2
113.02342	2.7
114.01853	0.8
123.07959	0.7
124.00286	1.2
134.05984	1.5
136.03886	1.4
137.09616	1.4
140.03444	1.2
143.03459	0.8
145.02852	0.9
149.04649	1.0
149.44051	0.7
150.03090	1.1
150.05522	0.8
160.36676	0.6
161.04558	1.0
163.06282	0.7
173.03218	1.9
183.13908	0.8
184.02473	0.9
190.05058	3.1
191.05733	0.7
217.00304	0.8
228.06735	1.0
242.08119	1.2
250.07191	4.7
256.09726	1.2
283.20697	0.7
302.10275	1.0
316.11823	1.9
317.12366	0.9
340.22742	1.0
352.22742	0.8
368.22192	1.9
384.61621	0.8
396.17004	1.1
396.21771	15.3
397.22122	3.0
411.44464	0.7
415.23419	2.0
455.35535	1.6
456.23895	100.0
457.24237	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.6
66.92455	0.3
69.13675	0.4
71.01254	2.5
71.38001	0.8
73.02818	1.0
75.00758	0.5
77.95132	0.4
78.21781	0.4
85.02818	0.8
89.02329	1.2
93.03357	0.5
96.92529	0.4
99.00766	1.8
101.02332	1.0
113.02326	0.7
117.03355	0.7
119.04916	100.0
120.05262	4.3
125.02350	0.4
133.02814	0.4
134.03622	0.4
142.16394	0.4
145.02856	2.0
148.01514	0.7
151.00320	0.4
161.02333	0.7
161.06018	0.5
163.03922	52.3
164.04291	3.0
193.05038	0.5
205.05005	1.1
255.02960	1.0
271.02637	0.4
274.31531	0.5
285.03824	0.5
299.01892	0.5
324.99277	0.4
336.19214	0.4
457.13504	44.4
458.13916	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	453.2135
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
52.94464	0.9
55.01765	1.3
57.03302	1.2
58.00461	1.8
59.01255	100.0
61.98718	1.3
69.03332	1.4
70.42680	0.8
71.01258	47.6
71.58807	1.2
72.00788	0.8
72.01607	1.1
72.99183	2.6
73.02827	38.7
74.03164	0.9
75.00745	2.7
83.01266	14.7
83.07834	0.8
85.02838	10.6
87.00743	1.4
88.47836	0.9
89.02324	13.0
95.01270	2.0
95.51585	0.9
97.58856	0.8
99.00750	1.8
101.02331	41.2
102.05498	6.1
106.46359	0.8
108.86361	0.9
111.00699	1.0
113.02353	14.3
115.00259	1.0
119.03391	4.9
125.02312	2.5
131.03403	3.0
135.02867	1.1
135.04427	3.0
143.03392	2.4
149.04414	2.2
155.03409	0.9
158.04488	2.1
161.02315	1.1
161.04515	6.7
171.10170	1.0
187.14871	13.8
231.13892	9.5
318.17050	3.9
336.18185	1.4
357.34247	0.9
367.21237	3.1
393.19226	1.9
411.19858	1.6
453.20911	8.7
453.33374	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	455.3526
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
65.60789	0.2
67.72548	0.2
98.20594	0.4
127.85030	0.2
163.99808	0.2
229.78572	0.3
230.91861	0.2
279.98245	0.2
407.33224	1.4
455.35297	100.0
456.35648	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	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.21099	0.2
65.59272	0.2
66.51091	0.3
70.14896	1.2
78.95779	22.1
92.70321	0.2
96.96822	0.3
102.34802	0.2
103.30005	0.2
104.97411	0.2
109.06192	0.3
118.36440	0.3
122.00009	0.6
122.98447	0.4
125.76368	0.2
140.00031	0.4
140.01096	4.5
152.99512	1.6
166.02612	0.3
171.00526	0.5
177.05632	0.3
177.43185	0.3
196.03745	10.2
214.04785	2.1
237.22115	0.3
239.66293	0.3
255.23286	100.0
256.23648	9.6
256.26389	0.4
391.22397	0.4
409.24414	0.3
452.27844	22.6
453.28210	3.1
467.97964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02515	0.5
50.42555	0.5
56.06219	0.5
59.01246	1.0
59.06829	0.5
78.95777	16.7
86.82229	0.5
96.53196	0.5
96.96845	0.7
98.19823	1.2
104.05708	0.7
104.78020	0.5
140.01085	1.8
152.99503	2.5
171.00554	2.3
182.79224	0.5
196.03616	1.0
214.04781	1.9
215.08432	0.6
255.23277	100.0
256.23645	10.0
393.19565	8.4
418.81061	0.6
452.27884	11.2
453.28198	1.2
453.33722	1.7
471.80170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
55.38001	1.1
57.03314	2.3
58.00470	3.8
58.26641	1.2
59.01253	100.0
69.03329	2.1
71.01255	51.0
72.99191	4.3
73.02814	7.1
73.05333	1.0
75.00760	1.6
83.01273	6.1
85.02819	12.3
87.00773	2.7
89.02318	58.7
95.01260	3.9
97.66957	1.2
99.00765	3.3
101.02324	42.7
105.15845	1.2
113.02328	22.1
119.03397	29.4
119.04909	1.5
121.02861	3.4
131.03410	2.1
133.02858	5.9
134.03690	1.9
139.44580	1.1
143.03423	1.4
147.04428	34.0
148.04716	1.3
149.04517	2.1
149.06015	4.2
151.07507	1.3
152.08337	2.9
153.09142	3.3
161.04482	2.8
161.09668	1.4
162.06808	8.5
179.05524	1.8
187.11266	1.5
197.09671	1.2
199.07536	1.6
205.12364	1.3
213.09174	14.9
214.09785	1.5
221.09807	1.1
229.12299	53.5
230.12617	6.0
231.13841	5.2
247.13429	6.8
249.14934	3.1
260.59720	1.2
273.11340	5.7
409.18646	45.4
410.18982	5.5
453.17880	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	451.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20521	0.7
71.20863	1.3
78.95779	13.9
84.86279	0.7
102.96163	0.7
110.97723	1.0
110.98423	10.2
167.01076	10.3
174.47540	0.7
185.02119	1.8
283.26428	100.0
284.26779	11.9
451.28314	14.1
452.28680	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	451.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06857	0.4
60.13260	0.4
78.95781	16.3
82.17056	0.4
104.97346	0.6
110.97641	0.6
110.98423	11.2
137.00027	0.9
167.01079	12.7
183.30040	0.4
185.02122	2.9
235.60115	0.3
283.26434	100.0
284.26779	10.5
386.59592	0.4
451.28296	17.1
452.28741	2.4
468.14261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62364	0.7
78.95771	14.2
81.42344	0.8
88.50273	0.8
89.71603	0.8
110.98421	10.3
120.31030	0.7
136.28325	0.8
139.83046	0.7
148.35217	0.7
162.63672	0.7
167.01082	11.3
185.02119	3.3
190.85193	0.8
236.19098	0.9
283.26422	100.0
284.26767	10.3
381.00409	0.8
451.28311	15.6
452.28680	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	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61810	0.2
59.01247	1.8
69.32566	1.6
69.32992	0.6
71.01254	0.6
80.04917	0.3
81.03331	8.6
83.04900	23.3
84.05246	0.6
85.02818	0.3
107.06036	0.8
108.04440	1.0
117.03365	0.6
119.04899	0.4
121.02840	0.2
125.07105	2.8
126.05546	0.5
133.02838	0.3
134.19862	0.2
139.24756	0.2
143.08159	1.6
145.02858	1.2
146.03206	0.4
161.02325	0.6
161.04378	0.3
162.28535	0.2
207.14981	3.4
224.17650	4.4
225.16042	11.5
226.16382	0.4
227.03505	0.3
228.03868	0.3
242.18732	1.8
255.02966	0.9
256.03464	0.6
271.02417	0.4
284.03305	0.5
290.22537	0.4
300.02747	0.6
301.03180	0.4
306.21945	0.3
307.53790	0.2
309.21759	0.5
324.26593	1.5
333.22998	3.8
334.23248	0.3
351.24054	0.6
367.27219	1.0
369.59335	0.3
385.28491	0.3
391.23398	0.2
415.26468	0.2
433.31796	4.6
434.32147	0.8
450.61859	1.0
451.32898	100.0
452.33215	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	451.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
56.83937	1.7
57.03315	3.8
58.00462	2.8
58.37521	2.0
59.01252	100.0
61.46834	2.0
61.98701	2.2
62.80732	1.9
62.90688	1.9
69.36308	8.1
69.36733	7.8
71.01257	40.2
72.99186	3.7
73.02816	15.2
75.00738	2.4
76.13672	2.0
83.01271	7.4
83.04904	1.7
84.02105	1.7
85.02832	17.1
87.00760	3.3
89.02315	14.8
95.01263	5.3
96.95896	3.5
99.00774	6.1
101.02327	30.1
113.02319	21.8
117.03349	2.7
119.03389	5.2
119.04919	2.1
120.85809	2.0
122.25991	1.9
125.02325	3.6
131.03365	2.3
136.52499	1.7
137.02321	1.8
143.03387	3.5
145.02853	4.7
161.02388	2.1
161.04483	15.6
164.07060	2.1
176.88838	1.9
187.13315	10.3
187.44727	2.1
201.14940	3.5
215.12854	2.3
255.02797	2.6
284.03214	3.6
289.16629	7.3
331.17630	4.3
340.36826	2.0
349.18799	16.7
372.18423	2.3
391.19363	2.9
433.16406	2.0
435.05032	2.1
451.22537	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	451.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25127	1.0
57.03303	1.2
59.01250	100.0
60.01569	2.1
61.98702	1.1
65.00190	2.4
71.01254	19.2
71.57879	1.5
72.99173	1.4
73.02803	5.1
75.00738	2.2
83.01266	3.7
85.02831	8.4
87.00755	2.1
89.02325	11.2
93.03327	1.5
95.01247	1.5
97.02814	1.6
99.00744	3.2
101.02328	11.3
101.05958	1.2
104.28677	1.0
107.01257	4.8
107.42732	1.0
109.02845	1.3
113.02325	9.0
117.03386	2.0
119.03425	2.6
121.51717	0.9
125.02306	2.4
125.09628	8.5
135.04436	16.6
136.04764	7.0
137.04924	2.6
143.10649	1.4
145.02884	5.3
146.03200	1.2
149.04439	1.0
151.00288	17.0
152.00624	7.3
153.00705	7.1
158.03613	3.8
159.04390	1.7
161.04462	4.9
165.04099	1.0
179.05464	2.3
187.09718	5.1
202.02643	16.3
203.03046	2.0
227.03372	2.1
227.12648	1.1
247.18967	2.1
255.02890	3.2
256.03217	1.4
284.03079	3.2
286.04166	1.2
287.05606	5.5
288.05972	6.8
289.06158	13.0
303.14325	1.3
331.17599	3.9
349.18610	11.2
369.59195	2.9
391.19333	2.9
391.23840	4.9
407.09854	6.8
408.10193	1.2
409.24219	2.1
451.17773	6.2
451.33041	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	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
56.56608	0.9
57.03327	2.0
59.01252	93.7
61.98721	1.0
71.01255	29.2
71.57865	1.5
72.01592	1.2
72.99199	2.7
73.02821	19.5
75.00758	2.1
83.01266	5.2
84.81993	0.8
85.02832	13.3
87.00755	2.3
89.02315	9.3
94.70908	0.9
95.01282	1.3
97.02850	2.2
99.00765	7.1
101.02323	25.4
113.02334	13.7
117.01833	1.5
119.03399	1.5
125.02364	1.9
126.59720	0.9
127.11261	1.2
129.01839	1.5
131.03410	2.3
143.03430	2.3
150.03142	0.8
159.02852	2.1
161.04440	8.7
171.10226	5.6
179.10710	1.1
185.11728	1.1
185.13286	1.4
197.11772	2.6
211.13324	1.0
213.11267	2.7
215.12837	100.0
216.13130	6.0
253.09286	14.5
255.02675	1.1
277.16574	20.6
278.16992	1.8
319.17612	2.3
391.19547	1.5
409.20752	29.4
410.21204	2.5
451.21909	27.2
451.28159	2.1
452.22308	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	451.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32895	0.6
59.01252	6.5
69.30515	0.8
69.30811	6.8
71.01260	4.4
73.02821	1.7
76.00136	0.6
85.02792	1.5
87.04391	1.0
87.27750	0.6
89.02305	0.9
98.20563	1.4
101.02312	0.7
101.88518	0.6
108.02089	0.7
111.04610	0.6
113.02383	0.9
117.03360	8.6
118.03688	2.2
119.04919	4.3
120.05264	1.3
121.02853	1.4
123.04422	0.7
133.02840	3.3
134.03493	0.8
135.04437	2.2
145.02859	21.6
146.03214	6.2
151.00299	1.7
158.03644	15.8
159.04437	6.4
161.02347	6.2
162.02780	2.3
163.03938	1.7
171.04410	2.1
173.67067	0.6
174.06261	0.6
175.03873	0.8
192.21375	0.7
199.03954	0.7
201.05458	3.1
202.02666	100.0
203.03186	9.8
213.05498	2.6
227.03447	4.6
228.03938	1.4
231.06705	1.3
243.02942	2.1
244.03314	0.8
245.04668	1.6
255.03000	9.1
256.03369	5.5
257.03732	0.8
258.04153	0.9
271.02444	6.9
272.02899	5.0
273.03107	2.1
275.05661	1.9
284.03256	4.5
285.03622	2.3
289.10831	0.9
300.02731	10.3
301.03149	6.7
302.03387	2.0
303.03601	1.4
304.04089	1.7
305.04703	0.8
365.08667	1.1
407.09866	35.0
408.10263	4.6
437.14505	1.5
438.14752	1.4
450.61816	9.4
451.11359	4.6
451.17798	1.2
454.14471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
62.97948	0.2
70.43792	1.0
71.01264	1.3
72.99194	0.3
73.02842	0.3
78.95779	3.7
85.02861	0.3
87.00739	0.6
89.02325	1.1
96.95885	1.5
99.00777	0.4
101.02321	0.9
108.90086	100.0
110.89796	6.1
110.98418	3.0
111.00812	0.3
113.02348	0.9
119.03436	0.4
125.02439	0.3
125.62447	0.2
127.53838	0.2
141.01830	0.3
179.05598	0.6
205.37836	0.3
377.08691	0.3
415.14603	3.5
451.12262	2.2
462.62198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01753	1.8
57.03334	0.6
58.00469	0.7
59.01255	15.7
67.21514	0.4
71.01254	8.3
71.44971	0.6
72.99183	1.1
73.02814	2.0
83.01260	2.6
85.02833	4.1
87.00747	1.3
89.02327	1.3
95.01252	0.5
97.02856	0.5
99.00740	1.0
101.02324	5.3
111.00733	0.8
113.02345	2.7
119.03382	0.5
124.07579	3.5
125.02355	0.6
132.18076	0.5
162.05521	0.6
163.06268	0.7
243.15001	0.9
269.21179	1.3
285.20786	0.8
287.11081	0.9
287.14047	10.5
287.22302	24.0
288.14325	0.7
288.22623	1.9
329.15002	1.8
329.23538	0.8
380.05322	0.5
431.26410	3.1
449.27570	100.0
450.27869	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	450.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04300	0.9
57.03314	1.2
59.01249	67.5
60.01588	3.9
61.98706	2.6
71.01254	21.0
71.57452	0.9
72.99188	1.8
73.02820	5.3
81.03345	4.0
83.01240	2.1
83.04893	7.9
85.02814	6.1
87.00748	3.5
89.02325	8.1
93.03347	3.2
95.01268	1.5
96.95860	1.4
99.00767	2.8
101.02321	9.1
102.95040	0.9
103.03891	1.0
107.01263	2.7
107.04927	1.1
108.02021	1.0
109.02898	1.4
111.34589	1.0
113.02339	5.4
117.03351	32.7
118.03710	3.0
119.03460	2.3
119.04919	23.6
120.05241	1.3
121.02830	10.1
121.48851	1.0
123.04416	7.2
125.02330	2.8
125.07150	1.6
132.02095	1.9
133.02840	14.2
134.03644	1.5
135.04413	6.3
136.04814	1.1
137.02327	2.9
145.02853	100.0
145.04805	2.4
146.03226	7.7
147.04420	1.1
147.78407	1.1
151.00267	6.1
159.04315	1.5
161.02357	22.8
161.04390	5.8
162.03003	3.2
162.04700	1.2
163.03897	4.4
165.01828	1.1
171.10246	1.0
178.99840	3.0
179.03354	1.7
179.05568	1.2
183.04416	3.3
187.03848	1.4
199.03958	1.2
202.02728	1.3
207.15053	1.1
211.03883	2.5
224.17735	1.6
225.16054	3.2
227.03448	31.1
227.12846	2.7
228.03789	3.4
228.13242	1.8
229.05002	1.4
243.03004	4.9
243.16092	2.6
244.03419	1.6
244.16336	1.9
255.02963	57.4
256.03461	8.4
261.11703	1.2
268.53781	1.1
269.08102	1.1
271.02475	18.7
272.02853	3.5
283.02448	9.8
284.03220	49.3
285.03860	12.2
287.14929	6.0
288.09564	2.6
288.15411	7.0
291.08783	4.7
299.02023	4.6
300.02725	29.9
301.03262	5.6
369.08994	60.2
369.59152	23.0
370.09323	3.6
377.09720	1.8
377.59802	1.6
389.21796	4.3
390.22256	5.1
391.23242	4.8
405.21365	5.0
406.21658	9.2
433.31647	1.3
437.14645	5.1
442.27417	1.0
449.31680	2.5
449.61221	1.4
450.11685	26.8
450.24725	1.6
450.31238	1.5
450.61856	9.3
451.11786	2.0
451.32822	31.1
451.39078	1.9
453.13953	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	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30309	0.2
59.01241	0.3
66.87319	0.2
69.72572	1.1
69.73001	0.8
78.95779	9.7
88.53972	0.3
102.97135	0.3
104.97353	0.5
110.98419	7.3
110.99149	0.5
113.42756	0.3
154.17390	0.3
167.01065	6.1
185.00935	0.3
185.02170	3.9
213.61530	0.3
252.14442	0.3
272.37314	0.3
281.24854	100.0
282.25201	10.7
410.96628	0.3
449.26709	11.2
450.27078	1.4
463.52826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75803	0.3
69.86991	2.0
69.87408	0.6
78.95778	13.6
82.65118	0.3
84.36575	0.3
94.46402	0.3
94.98908	0.4
110.97643	0.6
110.98418	10.2
146.68823	0.3
152.99596	0.5
167.01062	12.8
168.01459	0.7
175.92636	0.3
185.02087	3.0
231.01225	0.3
262.27933	0.4
281.24854	100.0
282.25220	8.9
341.75012	0.5
449.26733	14.7
450.27054	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	449.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03305	1.2
58.00462	1.0
59.01254	36.2
61.03756	0.6
61.26117	0.6
71.01260	16.2
72.99187	2.2
73.02829	3.7
83.01265	3.4
85.02822	7.8
87.00753	2.5
88.35149	0.7
89.02328	4.1
93.03338	0.9
95.01273	2.1
96.00784	1.1
96.08080	1.8
97.01565	3.3
97.02809	0.8
98.06033	0.9
98.20617	0.9
99.00775	0.9
100.03936	0.8
101.02332	9.1
106.06521	0.9
109.05225	1.4
111.00800	0.8
113.02340	4.8
113.09560	1.1
117.97747	0.6
118.06538	1.1
119.03432	1.1
122.05972	0.9
124.01622	0.7
124.07577	25.7
125.07962	1.2
126.05509	0.9
134.06027	3.2
138.05511	1.2
145.02821	0.8
150.05518	1.2
161.04419	1.1
162.05545	6.1
163.06296	2.9
164.04599	0.8
166.02597	0.8
166.05003	1.8
178.05029	5.7
184.06100	1.5
200.14355	1.5
211.13275	1.3
212.13669	1.0
221.19052	1.6
228.05231	0.9
229.60368	0.8
239.20064	0.8
243.15079	4.4
251.79883	0.8
265.18185	0.8
269.21191	2.7
287.14017	71.2
287.22281	36.7
288.14340	5.9
288.22662	3.4
301.15427	2.2
301.20148	5.4
329.15097	11.5
330.15369	1.7
431.26572	1.2
449.27600	100.0
450.28003	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	449.2545
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
59.01251	2.1
61.10717	0.4
68.75985	0.4
78.06370	0.4
78.95773	2.1
106.04078	0.5
107.04931	0.7
112.51834	0.4
117.03358	1.6
133.02847	20.0
134.03674	5.1
135.04416	32.9
136.04770	1.0
137.02325	3.4
139.03937	0.6
141.12698	0.4
152.99495	3.8
161.02351	100.0
162.02684	4.5
173.99713	0.4
178.02583	0.6
179.03419	12.3
180.03687	0.5
192.62146	0.4
206.22272	0.5
269.21402	0.8
287.22293	10.9
288.22797	0.9
312.26715	0.5
431.24268	2.9
432.24521	0.8
449.25436	65.8
450.25827	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2547
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
59.01253	13.5
71.57730	2.0
73.02811	1.3
74.25034	0.9
76.58774	0.9
78.94307	0.9
78.95772	2.8
116.92744	6.7
116.97145	1.8
117.03361	1.8
118.60620	1.1
121.02857	1.4
133.02855	22.1
134.03659	6.0
135.04422	30.8
137.02316	4.0
139.03897	2.2
150.03134	1.2
152.99532	6.0
154.06360	1.0
161.02359	100.0
162.02687	4.5
179.03429	9.6
251.75391	1.0
281.21100	1.1
287.22290	8.3
350.14465	1.1
367.16302	1.3
431.24475	3.0
449.25412	61.4
450.25629	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
71.20167	0.6
78.95779	11.5
94.98933	0.3
104.97330	0.5
110.98418	7.9
111.14721	0.3
112.92288	0.3
113.25099	0.3
122.35050	0.3
152.99504	0.5
167.01071	8.0
181.58723	0.3
185.02103	3.3
236.70555	0.4
250.97896	0.4
281.24860	100.0
282.25244	10.1
306.41235	0.4
312.72736	0.4
355.23819	0.4
449.26727	9.8
450.26947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01247	4.3
63.02266	1.5
63.26724	0.2
65.00196	9.5
71.01254	1.3
73.02819	0.6
83.01251	4.8
85.02814	0.8
88.58727	0.2
89.02336	0.4
99.00769	0.4
101.02325	0.8
102.60560	0.2
107.01269	19.2
108.01530	0.3
108.02134	0.4
108.99210	0.3
109.02859	1.6
111.00800	0.2
113.02334	0.3
117.03347	0.4
119.04918	0.5
123.04366	0.3
125.02334	4.6
127.13469	0.2
133.02856	1.5
134.03629	1.1
135.04414	74.4
136.01530	0.6
136.04738	3.1
137.02295	0.4
145.02837	1.6
147.04411	0.3
151.00273	100.0
152.00604	3.3
159.04402	0.4
161.02356	2.5
161.04431	0.6
164.01054	0.9
165.01851	0.6
169.01305	1.9
173.06038	0.3
177.01863	0.8
183.04480	0.3
196.00072	0.4
199.13298	0.3
201.01685	0.3
201.05499	0.3
215.03349	0.2
225.05692	0.3
227.03467	1.2
255.02969	1.4
269.04532	0.5
271.02487	0.3
275.15070	0.4
283.02432	0.4
284.03220	1.6
286.04648	0.4
287.05606	69.9
288.05945	6.1
297.09805	1.2
407.19223	0.5
449.10852	18.3
449.19766	1.2
450.11481	4.7
453.13770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.20456	0.2
50.73075	0.3
59.01258	1.8
59.74697	0.3
63.02275	1.5
65.00198	10.5
69.71041	1.4
69.71464	0.5
70.53674	0.3
71.01250	0.5
76.36686	0.3
83.01259	4.8
89.51737	0.3
101.02332	0.4
107.01278	18.5
108.01546	0.3
109.02849	1.5
116.29170	0.3
125.02341	4.2
133.02863	0.5
134.03609	0.6
135.04420	72.1
136.01546	0.3
136.04759	3.0
145.02840	0.4
151.00281	100.0
152.00621	3.6
161.02383	1.4
164.01091	0.6
165.01817	0.5
169.01390	2.0
177.01877	0.8
182.59608	0.3
196.00084	0.5
200.40759	0.3
201.01797	0.4
225.05646	0.4
255.03047	0.5
269.04504	0.6
284.03085	0.4
287.05627	64.0
288.05960	5.9
297.09839	1.3
449.10916	15.3
449.20258	0.6
450.11279	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	449.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01713	0.7
57.03288	0.7
58.00441	0.8
59.01200	15.4
65.49744	0.4
69.45284	3.8
71.01253	8.3
72.99168	0.9
73.02833	2.9
83.01205	1.3
85.02814	3.8
87.00727	1.0
89.02314	3.5
90.82357	0.4
94.06438	0.5
95.01194	1.2
95.03601	0.7
96.00725	0.9
96.08065	2.0
97.01569	4.0
98.02326	0.5
98.05948	1.3
98.20470	1.0
101.02332	4.6
106.06459	0.5
106.75042	0.4
108.04393	0.6
109.05148	1.9
110.05995	0.8
111.00705	0.6
113.02339	5.2
117.64709	0.4
118.06501	2.4
119.03368	0.8
120.08032	0.5
122.05948	0.7
124.07578	37.1
125.02346	0.5
125.07881	0.9
126.05446	1.1
127.11084	0.5
127.43589	0.4
134.06021	3.1
136.03883	0.5
136.07603	0.5
137.04680	0.6
138.05453	1.1
138.09174	0.6
150.05449	1.8
151.06216	0.5
158.06049	0.4
161.04454	0.7
162.05533	7.7
163.06316	6.3
166.04924	1.2
176.07080	0.9
178.05006	7.9
179.05486	0.5
192.06534	1.4
194.04434	1.3
200.14386	1.5
211.13364	0.6
213.13747	0.6
227.16446	0.8
238.96642	0.4
243.14983	5.0
269.21158	1.5
283.14496	1.2
287.14017	100.0
287.22287	16.0
288.14343	8.9
288.22568	0.9
301.15491	3.0
329.15060	17.1
330.15366	2.4
449.27698	36.3
450.27975	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	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62692	0.3
52.45829	0.3
53.04222	0.3
57.03287	0.8
57.80732	0.3
58.00425	0.5
59.01253	27.7
59.01529	1.1
62.32523	0.3
69.55611	0.3
71.01256	8.1
71.58012	0.5
72.99158	0.7
73.02820	2.0
75.00717	0.7
80.96371	0.3
83.01228	1.3
85.02825	2.9
87.00716	1.3
89.02325	5.9
93.03314	0.5
95.01250	0.7
96.95837	0.4
99.00743	0.5
101.02321	7.9
104.32423	0.3
113.01620	0.4
113.02325	4.6
115.03925	0.6
117.03299	0.4
119.03359	1.6
119.04886	0.4
121.02858	0.4
122.05993	0.4
125.02312	0.4
133.02779	0.7
135.04353	0.6
143.03349	0.5
145.02872	0.7
161.02339	0.4
161.04439	3.3
179.05490	0.9
183.12186	0.8
183.13834	13.2
184.06064	0.4
184.14130	1.1
195.13847	11.5
196.14227	0.8
211.13367	1.4
212.13721	1.2
213.14919	100.0
214.15256	6.7
225.15036	0.6
253.09283	19.0
254.09673	1.1
255.02946	0.7
269.21146	0.4
271.02533	0.5
273.03098	0.6
283.02649	1.2
284.03177	0.5
287.22235	2.9
300.03027	0.8
301.03516	0.8
301.20151	0.5
302.03378	1.7
313.80682	0.4
315.05063	0.6
316.05411	0.6
317.05585	1.7
383.34247	0.4
389.25720	1.1
405.09821	0.7
407.26804	1.0
449.27811	11.7
450.28210	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	449.109
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.73062	0.3
57.03330	0.5
59.01252	22.7
61.30124	0.2
61.98703	1.0
62.73739	0.3
63.02274	0.7
65.00195	10.8
66.00549	0.3
67.64513	0.3
69.03308	0.3
71.01257	3.0
71.57674	0.3
72.99192	0.5
73.02824	0.7
75.00755	0.5
81.03330	0.4
83.01257	5.7
85.02827	1.5
87.00771	0.4
89.02316	1.8
93.03349	0.9
95.01280	0.9
95.04922	0.3
96.95878	0.8
97.02841	0.6
99.00788	0.5
101.02328	1.8
102.65119	0.3
103.01782	0.3
103.54240	0.3
104.16016	0.3
105.27405	0.3
107.01275	19.0
107.04881	0.4
108.01554	0.8
109.02837	3.1
110.80984	0.2
113.02301	1.6
117.03349	1.0
119.03362	0.6
119.04908	0.7
121.02840	0.7
123.00785	0.3
125.02343	4.5
131.01283	1.4
132.02011	0.3
133.02878	1.0
134.03680	1.7
135.04414	86.4
136.04744	3.5
137.02344	1.3
139.03920	0.5
145.02867	3.1
147.04385	0.4
149.02333	0.8
149.05872	0.4
151.00276	97.6
152.00603	4.5
155.10661	0.5
156.65994	0.3
161.02356	1.6
161.04489	1.1
165.01855	1.6
165.12775	0.4
169.01344	3.3
175.00294	7.0
177.01854	1.0
179.03230	0.3
179.05699	0.3
193.01289	1.7
196.00090	0.4
199.03902	0.4
201.05348	0.3
202.82773	0.3
205.01428	0.5
209.11780	0.8
211.45303	0.3
213.11200	0.3
225.14986	0.6
227.03505	1.0
227.12837	2.4
245.13936	0.6
249.06213	0.4
255.03116	1.4
269.04544	1.1
269.13901	2.0
271.02502	0.7
284.03400	2.0
285.03857	1.0
286.04364	1.0
287.05621	100.0
287.14862	7.0
288.05972	8.4
291.08685	0.5
299.01981	0.5
300.02676	0.5
311.05737	1.0
313.05655	0.8
329.06427	0.4
369.09036	2.8
389.21896	1.6
449.10767	2.4
449.20401	0.9
450.11517	0.5
450.21494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
56.79509	1.0
57.03331	13.0
59.00949	2.1
59.01252	42.4
60.01572	2.6
60.37594	1.1
61.87862	1.1
61.98698	1.6
63.02278	2.1
65.00191	3.7
70.02345	4.7
71.01260	7.6
81.03327	3.3
83.01248	6.9
85.02818	3.2
85.31624	0.9
86.25354	1.0
89.02327	4.0
93.03345	3.6
97.02826	1.8
101.02322	2.8
107.01276	7.1
107.04977	1.2
109.02817	3.5
112.73442	1.5
112.86023	1.0
113.02330	3.3
117.03345	10.2
119.03408	1.6
119.04916	4.4
121.02827	3.0
123.04412	3.0
124.01540	2.2
125.02341	100.0
126.02668	3.5
131.04538	1.7
133.02859	4.4
137.02321	6.7
139.03951	2.0
145.02863	20.1
147.00945	1.3
149.02350	9.2
150.99126	2.2
151.00278	25.1
152.01019	4.6
153.01839	9.2
159.04398	1.9
161.02338	3.5
163.00310	1.3
163.03915	1.4
165.01877	2.2
169.06506	2.1
172.05237	2.5
173.06039	3.7
176.00990	1.5
177.05518	3.1
178.99802	13.0
179.03415	5.6
187.07597	1.5
197.05888	1.6
199.03989	1.9
201.05490	3.1
213.05667	1.3
213.19186	1.3
215.07063	4.8
225.05519	3.1
227.03352	3.6
241.04971	2.4
243.02904	1.6
243.06592	4.3
243.15942	1.6
255.02965	6.5
259.06100	80.6
260.06546	6.6
269.04553	69.3
270.04861	6.1
271.02457	9.8
284.03296	3.6
287.05618	57.7
288.06000	3.9
299.01965	1.3
300.02734	13.0
301.03708	1.2
311.05670	2.7
341.04977	1.2
342.05972	1.8
389.21884	1.9
437.14410	2.1
449.10898	56.4
450.11450	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	449.109
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03325	12.9
59.01250	19.0
60.54190	0.8
61.98685	2.5
63.02238	1.0
65.00193	4.0
71.01241	3.6
71.34293	1.7
81.01198	1.0
81.03340	2.7
83.01264	10.3
85.02828	1.8
87.89688	0.7
89.02319	2.3
90.25512	0.7
93.03326	2.3
97.02816	1.7
101.02328	1.8
107.01276	7.0
107.04899	1.4
109.02832	1.9
109.36113	0.8
113.02357	1.8
113.03497	0.8
115.34401	0.7
117.03343	6.0
119.04937	1.8
120.45951	0.7
121.02818	1.9
123.04395	1.5
124.01548	0.8
125.02336	100.0
126.02674	2.7
133.02866	2.1
135.04369	1.0
137.02336	1.5
139.03867	2.2
145.02870	7.2
149.02335	7.7
150.99124	1.6
151.00275	23.6
152.01102	4.2
153.01878	6.9
154.02223	1.0
157.06470	0.9
159.04353	1.0
161.02396	1.5
161.04430	1.6
163.00256	2.4
165.01775	1.7
167.03398	1.2
169.06621	0.9
171.04370	1.1
172.05193	1.3
173.05972	5.5
173.97549	0.7
175.03899	1.4
176.01091	1.4
177.01843	1.0
177.05466	3.6
178.99800	13.9
179.03381	6.8
180.39114	0.8
183.04457	1.2
195.13147	0.9
197.06029	2.0
199.03928	1.2
199.07457	0.9
200.04675	1.2
201.05498	2.7
209.55576	0.8
215.07109	5.7
225.05501	2.8
227.03447	1.7
241.04967	2.5
243.06587	6.0
245.17525	4.8
255.03000	2.5
256.72076	0.9
259.06094	88.1
260.06357	7.0
269.04544	77.3
270.04904	5.5
271.02411	3.3
283.02716	1.0
283.05994	1.5
284.03339	1.7
287.05609	75.1
288.05899	6.0
300.02872	5.0
311.05673	1.9
342.05865	3.5
389.21686	2.9
407.22919	1.3
421.11258	1.7
429.15720	0.8
431.09872	1.3
437.14621	1.3
449.10867	68.4
450.11377	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	447.2389
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.01987	1.2
50.67641	1.2
59.01252	14.9
71.01235	2.2
89.02303	1.5
91.17996	1.2
96.95904	2.1
103.55630	1.3
117.03343	17.9
119.04919	50.5
120.05262	1.6
130.54778	1.3
131.59476	1.4
133.02864	10.0
135.04417	13.3
136.04817	1.5
145.02858	100.0
145.41843	1.8
146.03152	3.3
161.02353	46.4
162.02748	2.0
163.03923	40.7
176.34306	1.3
179.03415	3.9
180.21445	1.3
211.13318	7.5
221.19066	7.0
253.22624	1.4
265.18027	5.1
283.19186	10.0
285.20630	3.8
301.20206	22.4
376.53088	1.3
429.22806	2.2
447.23788	60.7
448.24335	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68515	0.3
64.08326	0.3
68.79021	0.3
78.95776	4.5
88.74550	0.3
110.98406	4.1
167.01057	2.0
185.02153	3.5
203.29880	0.4
229.29488	0.5
279.23282	100.0
280.23624	9.0
280.34338	0.4
282.17636	0.4
353.64209	0.4
368.82724	0.3
447.25174	7.2
448.25366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03331	1.6
58.00478	1.0
59.01254	100.0
60.01589	2.5
61.01678	1.4
61.98710	4.5
70.32919	2.4
71.01258	34.6
72.01600	1.1
72.99197	1.4
73.02823	10.9
73.03193	0.9
75.00764	1.0
83.01250	3.6
85.02821	9.7
87.00784	2.2
89.02322	25.5
90.02712	0.8
91.02752	0.6
95.01286	1.9
97.02844	0.5
99.00761	2.1
99.04417	1.2
101.02327	24.9
102.02702	1.1
105.51564	0.6
113.02336	19.3
114.02666	1.1
115.15569	0.5
119.03403	10.4
121.03870	0.6
125.02330	1.2
131.03409	0.8
141.72426	0.5
143.03421	3.5
149.04459	1.1
149.19868	0.5
159.02846	1.0
161.04488	9.9
163.11246	1.9
167.10744	0.6
179.05522	6.1
181.12308	1.5
207.14021	0.6
211.13339	1.1
223.13420	0.8
225.14981	2.3
243.15973	4.8
267.07312	0.6
284.03339	1.1
285.03973	1.0
317.15427	0.8
381.20847	0.6
387.20248	31.0
388.20627	2.4
405.21225	8.7
406.22183	0.7
447.22513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01249	14.7
64.30221	0.3
69.03316	0.7
71.01254	4.6
73.02824	1.3
75.00761	0.5
82.33504	0.3
83.01249	0.4
83.04894	0.6
85.02814	1.4
87.00716	0.6
87.04394	0.9
89.02316	3.8
95.01277	0.4
99.00747	0.5
100.56158	0.3
101.02309	3.3
113.02337	2.4
119.03381	0.9
145.02873	0.6
161.04457	1.4
167.14297	0.7
179.05605	0.4
183.13817	6.1
184.14227	0.7
193.12279	1.7
207.27876	0.4
211.13336	100.0
212.13687	6.5
221.19060	10.2
222.19420	0.8
226.10948	0.5
229.23132	0.4
235.08200	0.5
239.20184	0.9
241.13431	0.5
253.09279	11.7
254.09529	0.8
257.21225	0.4
265.18091	6.8
266.18314	0.6
283.19141	11.6
284.19525	1.0
285.12500	1.1
301.20190	19.9
302.20605	2.0
329.19730	0.8
375.23849	13.1
376.24316	1.1
403.23346	0.7
429.09671	0.4
447.22455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42566	0.5
57.03331	1.8
57.12638	0.5
59.01253	100.0
60.01612	1.2
62.29761	0.6
68.13549	0.6
71.01254	9.9
71.12957	1.1
72.99132	0.8
73.02814	3.7
83.01277	2.3
85.02845	1.8
89.02328	7.2
99.00767	1.1
101.02323	9.2
101.02930	1.1
113.02343	5.1
119.03384	3.1
143.03400	1.8
153.06302	0.7
161.04453	5.0
167.10648	0.8
179.05562	1.2
181.12245	0.9
207.13876	1.3
210.63110	0.7
211.13379	10.0
215.67807	0.6
223.08395	0.6
225.15045	1.0
240.09093	0.7
242.47992	0.6
243.16025	1.7
253.09265	1.2
284.03290	1.3
285.04062	2.0
291.16223	1.6
387.20221	5.8
405.21371	2.4
447.09421	2.6
447.22903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47984	0.3
55.01745	0.4
57.65656	0.4
58.00474	0.4
59.01252	100.0
60.01585	1.0
69.19964	0.4
71.01255	9.3
71.44292	0.5
73.02809	1.9
83.01275	0.7
85.02835	3.0
87.00755	0.7
89.02319	9.7
95.01294	0.6
99.00768	0.7
101.02320	7.5
101.02918	0.6
113.02336	4.9
119.03399	5.2
120.52695	0.4
120.67916	0.4
131.03458	0.4
143.03455	1.2
159.02838	0.5
161.04478	4.7
164.78949	0.3
179.05585	1.5
195.13861	0.5
211.13406	2.4
211.15158	0.3
225.14989	1.4
253.09142	0.5
273.93674	0.4
285.04019	0.6
323.89661	0.4
387.20264	28.6
388.20432	2.6
447.09476	0.5
447.22549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01759	3.5
57.03317	2.2
58.00462	1.6
59.01252	81.3
60.01597	0.8
61.65171	0.7
68.99690	1.1
69.03335	0.8
71.01257	40.7
72.99179	2.1
73.02821	19.5
75.00755	1.8
83.01262	8.2
85.02830	15.5
85.06472	5.0
87.00749	4.2
89.02323	11.9
95.01291	2.1
97.02844	0.7
97.06490	1.3
99.00762	7.5
101.02325	27.6
111.04429	0.8
113.02332	16.3
113.09609	1.4
119.03381	4.9
125.02378	1.3
131.03398	1.0
134.00455	0.8
140.77803	0.7
142.59425	0.7
143.03336	1.5
144.54753	0.7
149.04453	0.8
153.12769	2.7
155.14328	13.4
156.14645	0.9
159.02896	1.4
161.04443	4.8
175.02452	0.8
181.12248	1.0
181.15883	5.8
197.11842	1.3
199.13327	27.4
200.13724	1.3
211.13416	1.3
215.12852	3.0
225.14925	8.0
239.03757	0.7
245.17564	1.2
267.03238	0.9
268.03867	1.2
284.06207	0.8
285.06754	2.0
387.20224	18.5
387.25000	1.2
388.20596	2.3
405.21286	33.8
406.21704	3.7
437.69550	0.8
447.22415	100.0
448.22812	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37543	0.2
55.01769	0.3
57.03314	0.4
58.00469	0.3
59.01252	100.0
60.01575	1.3
63.85800	0.3
67.11388	0.2
71.01254	7.2
71.44209	0.4
72.99162	0.2
73.02837	1.1
75.00761	0.3
83.01254	0.6
85.02820	1.8
87.00769	0.7
89.02320	7.5
95.01267	0.6
99.00776	0.6
101.02322	4.3
102.02608	0.3
108.30763	0.3
113.02335	3.7
119.03395	3.1
120.11292	0.3
121.02840	0.5
131.03447	0.4
143.03397	0.4
145.06120	1.1
146.04483	0.5
149.04430	0.5
151.00333	0.3
161.04446	2.9
179.05513	2.1
189.12794	1.2
207.13881	0.5
241.14360	0.3
241.75040	0.3
243.15657	0.3
249.06192	0.3
267.07095	0.4
280.79935	0.2
285.04260	0.5
316.40024	0.3
326.01276	0.3
336.81607	0.3
351.61316	0.3
376.38339	0.3
387.20267	3.7
388.20825	0.6
394.80426	0.2
395.84839	0.3
405.20880	0.3
429.10422	0.3
447.09750	0.3
459.09982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.5
57.03328	1.2
58.00475	0.3
59.01252	100.0
60.01575	1.2
69.03345	0.5
69.37662	0.3
70.36407	1.3
71.01254	11.3
73.02824	2.5
75.22038	0.3
75.22498	0.3
83.01275	1.1
84.02049	0.4
84.74725	0.4
85.02831	4.3
87.00769	0.7
89.02317	4.8
95.01271	1.2
99.00763	0.8
101.02319	5.7
113.02332	6.9
119.03391	2.0
123.08047	0.8
125.06008	0.7
131.03401	0.3
139.07581	0.5
141.09111	5.1
143.03416	1.1
145.06102	0.4
153.09109	0.3
159.02994	0.4
161.04477	4.5
179.05589	1.1
181.12231	0.5
195.13863	0.5
199.13411	0.4
239.12929	0.8
243.15993	17.0
244.16382	1.2
379.77347	0.4
387.20242	9.0
388.20755	0.8
396.66898	0.3
405.21365	3.8
406.21613	0.6
447.22681	0.7
462.00571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81346	0.4
59.01254	4.1
61.45221	0.3
61.69781	0.4
68.01289	0.6
70.87952	0.8
71.01259	1.2
72.00769	0.5
72.99193	4.9
74.02327	0.6
74.22819	0.4
75.00749	6.3
77.01189	0.5
87.00751	1.5
89.02329	0.6
96.95901	0.5
98.19911	0.4
99.00760	0.6
101.02312	0.7
103.00259	3.0
104.00607	0.7
104.03408	3.2
105.01821	100.0
106.02168	1.9
109.60867	0.3
110.02332	0.4
110.35258	0.4
172.97260	0.3
177.52266	0.4
179.05707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03326	1.1
58.00465	0.7
59.01252	100.0
59.18737	0.7
60.01595	1.2
69.49394	4.0
69.49804	1.3
71.01254	19.4
72.99173	1.3
73.02819	5.6
83.01274	3.0
85.02824	4.7
87.00814	0.7
89.02318	11.2
99.00793	1.4
101.02328	11.6
113.02327	10.8
119.03381	3.4
131.03397	1.2
143.03401	1.7
155.37950	0.6
159.03024	0.9
161.04500	6.3
163.11133	0.9
179.05453	3.6
211.13332	1.0
223.13580	0.8
225.14906	1.3
243.15988	5.1
280.72775	0.7
284.03165	1.1
285.04150	1.2
369.19397	1.0
387.20264	13.8
388.20700	1.2
405.21207	5.0
406.21735	0.9
447.09180	1.4
447.22293	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37543	0.2
55.01769	0.3
57.03314	0.4
58.00469	0.3
59.01252	100.0
60.01575	1.3
63.85800	0.3
67.11388	0.2
71.01254	7.2
71.44209	0.4
72.99162	0.2
73.02837	1.1
75.00761	0.3
83.01254	0.6
85.02820	1.8
87.00769	0.7
89.02320	7.5
95.01267	0.6
99.00776	0.6
101.02322	4.3
102.02608	0.3
108.30763	0.3
113.02335	3.7
119.03395	3.1
120.11292	0.3
121.02840	0.5
131.03447	0.4
143.03397	0.4
145.06120	1.1
146.04483	0.5
149.04430	0.5
151.00333	0.3
161.04446	2.9
179.05513	2.1
189.12794	1.2
207.13881	0.5
241.14360	0.3
241.75040	0.3
243.15657	0.3
249.06192	0.3
267.07095	0.4
280.79935	0.2
285.04260	0.5
316.40024	0.3
326.01276	0.3
336.81607	0.3
351.61316	0.3
376.38339	0.3
387.20267	3.7
388.20825	0.6
394.80426	0.2
395.84839	0.3
405.20880	0.3
429.10422	0.3
447.09750	0.3
459.09982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37847	0.3
59.01250	6.8
62.96270	1.5
63.77853	0.3
70.13969	0.3
72.13554	0.3
77.61253	0.3
78.95778	45.6
96.95879	0.5
96.96832	3.0
98.20552	0.9
101.02339	0.4
108.14565	0.3
112.45980	0.3
116.92739	0.5
146.14859	0.3
148.99995	21.1
150.00285	0.4
152.99496	3.6
153.77168	0.3
158.92456	1.3
179.01085	3.0
205.15981	1.8
211.13330	2.5
240.96637	0.4
253.09441	0.4
267.11505	0.5
347.08347	0.4
417.12604	0.7
431.10236	2.9
432.10916	0.4
447.13422	100.0
448.13791	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.7
60.29511	0.3
62.96276	1.6
69.44862	2.2
78.48550	0.3
78.95782	44.3
96.96849	2.7
105.22739	0.3
108.30056	0.3
119.93969	0.3
122.14172	0.3
135.59200	0.3
149.00012	19.4
149.94283	0.3
150.00351	0.4
152.99483	1.4
158.92445	1.5
169.62810	0.3
177.97324	0.3
179.01053	2.7
201.32901	0.3
202.49629	0.3
205.15936	1.2
218.40077	0.3
347.08127	0.5
417.12448	1.6
431.10330	2.7
447.13437	100.0
448.13806	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45150	0.4
57.03312	0.6
59.01250	29.5
65.00182	0.5
71.01255	5.8
71.04871	0.6
73.02822	3.5
75.00756	0.5
75.89433	0.5
83.01247	2.5
85.02824	2.2
87.00768	0.9
89.02309	4.0
93.03404	0.5
95.01308	0.5
99.00764	0.6
101.02328	4.7
104.43017	0.4
107.01279	1.5
113.02340	3.9
119.03400	1.3
125.02311	0.8
131.03412	0.6
132.02031	0.4
135.00800	0.5
137.09628	0.4
139.11203	0.4
143.10678	1.1
151.00298	3.0
153.01874	0.5
153.09024	0.6
161.04483	2.0
163.00191	0.6
163.11319	0.4
169.01205	0.4
174.03169	0.5
178.99762	0.5
179.05544	0.9
183.04465	2.2
183.10223	1.9
185.06003	0.7
187.03941	0.5
199.03792	0.5
207.13817	0.5
207.79204	0.4
211.03969	2.9
211.13330	7.5
215.03493	0.5
225.14973	0.8
227.03455	78.7
228.03842	6.5
229.04956	2.5
239.03563	1.1
241.07280	1.4
243.15977	0.6
253.09361	0.8
255.02975	100.0
256.03549	13.6
257.04407	1.4
284.03265	87.8
285.03967	26.8
286.04355	1.5
299.05499	0.5
301.07181	0.5
311.93674	0.4
327.04959	1.0
387.20267	1.9
405.21286	1.3
447.09311	98.9
448.09622	10.9
448.19000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95746	0.7
57.03309	1.0
57.40300	0.7
59.01252	63.2
63.02274	4.1
65.00193	4.2
66.67659	0.7
69.26752	1.5
69.27156	6.8
71.00896	0.9
71.01255	10.3
72.99166	2.3
73.02831	4.1
75.00754	3.9
79.89330	0.7
80.77496	0.7
83.01264	5.6
85.02842	5.2
85.19696	0.7
85.78335	0.9
87.00739	1.8
89.02313	5.6
93.03275	0.9
95.01246	1.8
98.20559	1.7
99.00742	1.9
99.92453	2.5
101.02316	7.7
107.01269	9.9
109.02843	1.1
113.02341	8.1
115.91956	6.4
116.92744	18.8
117.01835	0.8
117.92755	1.0
119.03366	1.9
121.02899	1.0
123.04392	1.1
132.02028	1.2
133.02861	8.5
140.74799	0.8
143.04897	1.0
148.03925	1.1
149.02322	1.9
150.99144	1.1
151.00287	20.0
161.04443	4.6
163.00287	2.8
163.11183	0.7
164.01068	1.6
165.01891	0.7
169.01387	6.5
175.03896	2.1
177.12753	2.1
178.99722	3.3
179.05525	1.2
183.13821	1.4
183.79456	0.8
185.05977	1.7
192.00594	0.8
195.13863	1.5
197.11746	3.2
198.03027	1.0
199.03963	2.3
201.01831	0.9
209.11940	1.3
210.12062	1.1
211.03914	1.3
211.13341	17.4
213.05461	1.2
217.04922	0.9
226.02702	0.7
227.03452	3.2
229.04985	2.9
240.04062	1.1
241.04964	1.0
243.02940	4.9
245.04565	1.2
249.06180	4.0
253.09224	1.6
255.02994	13.0
256.03439	1.6
257.04541	7.7
267.07245	2.6
271.02502	21.7
272.02975	2.0
273.04129	1.0
273.12491	1.2
284.03275	15.2
285.04047	100.0
286.04468	7.6
291.13638	1.2
299.18530	1.6
300.02768	30.1
301.03494	26.0
302.03864	2.2
315.14560	0.8
327.05035	1.0
335.12418	2.3
387.20419	2.5
405.21527	1.5
447.09366	46.4
447.18173	8.9
448.09418	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58907	0.9
51.07771	0.8
55.43983	0.7
58.16754	0.7
59.01253	100.0
60.01600	1.4
70.32829	3.2
71.01279	0.9
89.02341	0.9
91.03870	0.9
94.33511	0.7
113.02318	0.8
126.80123	0.8
152.99744	0.8
171.13182	0.7
220.52466	0.7
246.36128	0.8
258.67749	0.8
294.22000	0.8
311.22363	6.7
312.22488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75747	1.0
59.01252	100.0
60.12074	0.9
62.77607	0.8
69.58842	5.5
69.59251	1.7
91.03885	2.8
96.95915	1.8
129.09087	1.1
165.18140	1.0
197.11790	1.2
211.13313	1.5
311.22263	13.4
337.40332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.55566	0.5
59.01254	18.5
59.80802	0.5
69.36783	1.7
69.37206	3.2
71.01255	3.6
73.02827	2.8
83.01263	1.4
85.02810	1.1
87.00758	0.5
89.02309	3.0
101.02308	3.4
107.01278	0.8
109.02850	0.6
113.02329	2.5
119.03436	0.8
129.90808	0.6
136.43764	0.4
139.04805	0.6
143.03404	0.7
143.04869	0.6
143.10703	0.8
151.00298	1.7
153.01808	0.8
161.04518	0.9
163.00362	0.6
169.01422	0.6
183.04471	1.1
185.06102	0.5
187.03873	0.8
211.03923	2.0
211.13364	5.5
227.03455	70.7
228.03793	4.7
229.04999	2.3
239.03404	0.5
241.07240	1.2
243.12175	0.6
243.15976	0.7
253.09236	0.8
255.02969	84.2
256.03506	10.6
257.04465	1.4
284.03265	68.1
285.03964	24.5
286.04337	1.6
327.05234	1.3
384.22092	0.5
387.20221	1.5
405.20883	0.9
447.09308	100.0
448.09659	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.2
59.01254	100.0
59.12641	0.3
59.85450	0.2
60.01597	1.4
61.01417	0.3
61.25529	0.2
65.43273	0.3
69.46853	1.5
69.47260	0.8
71.01260	4.4
72.99200	0.5
73.02823	3.1
74.50570	0.3
75.00758	1.3
81.39091	0.3
83.01282	1.1
85.02822	1.9
87.00756	4.3
89.02317	1.5
95.01240	0.5
95.63065	0.3
98.20524	0.6
99.00760	0.7
101.02333	3.6
113.02341	2.4
119.03469	0.6
130.08644	0.3
131.03421	0.3
135.02924	0.4
136.01547	2.2
143.03397	0.5
151.03931	2.4
152.04369	0.3
161.04491	0.9
179.10652	0.3
191.18231	0.3
195.10172	1.3
209.11786	0.7
249.06218	1.7
267.07227	1.6
268.03763	0.5
283.02652	0.3
283.06314	0.8
297.17172	0.4
327.21841	0.4
343.17682	0.4
357.13565	1.2
385.18912	0.4
438.38351	0.3
445.16263	1.5
445.24857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34798	0.3
59.01254	0.9
60.99432	0.3
62.59249	0.3
63.96485	0.3
69.27788	2.9
69.28196	0.7
78.95781	8.1
96.93705	0.3
110.77686	0.3
110.98421	5.3
126.32601	0.4
146.89822	0.4
148.31235	0.3
167.01056	3.8
185.02135	3.7
233.22989	0.4
259.20837	0.4
277.21716	100.0
278.22049	10.1
284.23120	0.4
380.07718	0.4
445.23569	5.6
446.23987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
70.32352	0.6
70.32710	1.4
71.01246	0.4
73.87487	0.5
74.99771	0.5
78.95776	20.8
95.46426	0.4
104.97342	0.5
110.98415	13.0
151.43910	0.4
152.99408	0.5
167.01070	16.0
175.20227	0.4
182.13098	0.5
185.02136	4.0
259.20667	0.9
277.21719	100.0
278.22028	9.0
355.09879	0.4
445.23633	12.5
446.24026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
58.00477	0.9
59.01251	100.0
60.01292	0.5
60.01581	1.3
68.53760	0.5
70.43398	0.4
70.47130	0.5
70.88537	1.0
70.88940	1.0
71.01254	18.3
71.26556	0.4
72.99183	0.5
73.02831	2.8
81.03335	0.7
83.01286	1.2
85.02829	4.6
87.00751	4.2
89.02316	19.8
95.01266	0.6
97.02846	1.2
99.00780	2.1
100.99088	0.5
101.02329	15.0
102.02637	0.7
103.94074	0.5
107.12637	0.6
110.02901	0.4
113.02328	9.5
116.99286	0.5
119.03387	9.8
123.08054	2.9
125.02368	1.0
125.09642	0.5
129.01909	1.1
131.03400	1.1
139.07512	0.7
143.03441	2.3
149.04553	1.0
151.07602	1.0
152.08354	1.1
153.09143	4.3
159.02930	1.6
161.04477	14.7
161.09630	2.4
177.01842	0.7
177.12886	0.6
179.05550	5.1
179.10770	1.3
187.11238	0.5
205.12334	3.5
206.12775	0.6
209.11827	0.7
219.10606	0.5
223.13356	5.5
237.11407	1.8
241.14417	8.8
242.14845	0.7
250.06660	0.6
267.07141	1.2
315.14468	12.5
315.17960	0.9
316.14774	0.9
320.19800	0.6
327.14493	9.9
328.14783	0.8
367.17581	4.6
368.18253	0.8
385.18713	5.8
386.18951	0.6
395.98788	0.5
403.19690	7.9
445.20734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
58.00473	0.8
59.01252	100.0
60.01600	1.1
71.01257	16.9
71.13683	0.7
72.99197	0.7
73.02844	1.4
75.00755	0.5
75.88386	0.5
75.88853	0.4
83.04898	2.3
85.02816	2.9
87.00774	1.1
89.02322	28.7
95.01296	1.4
101.02332	8.9
104.73664	0.4
113.02327	8.0
119.03386	11.6
123.08086	0.6
131.03453	1.6
143.03421	3.8
149.04500	1.3
161.04471	3.6
177.01801	1.1
179.05553	16.7
180.05891	0.6
203.75519	0.4
205.12305	0.9
223.13483	1.1
241.14491	1.4
245.03847	0.5
245.32764	0.5
249.06361	0.4
267.07330	1.0
319.63269	0.5
337.84479	0.4
403.19946	1.8
445.09628	0.6
445.20551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39587	0.1
57.03330	0.1
57.90587	0.1
59.00990	0.2
59.01249	1.8
69.62753	0.8
69.63153	0.4
71.01240	0.4
72.95396	0.1
85.02810	0.2
89.02274	0.2
98.20559	0.2
98.59322	0.1
107.30983	0.1
116.95988	0.2
140.92760	0.1
156.05685	0.2
157.05214	0.2
169.06509	0.3
180.05704	0.4
181.06531	2.4
183.04433	0.7
191.55612	0.2
197.05995	1.3
198.06767	1.5
201.02232	0.1
209.06044	0.5
225.05525	47.2
226.06174	9.4
227.06726	0.4
229.14323	0.2
239.07140	0.2
241.08672	100.0
242.09010	8.1
242.87090	0.2
300.12686	0.1
327.21716	0.9
359.08890	0.2
385.12909	1.4
386.13379	0.2
403.14038	0.5
445.14819	0.3
445.24197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03321	2.2
58.00467	1.0
59.01253	100.0
60.01584	1.9
61.28345	0.8
69.03322	1.0
70.74377	1.9
70.74678	0.8
70.76364	0.8
71.01254	23.1
72.99158	1.4
73.02826	6.5
73.12272	0.8
74.32381	1.0
75.00750	1.2
83.01271	2.7
85.02823	7.3
87.00747	3.0
89.02315	14.4
95.01277	1.7
97.02840	2.2
99.00768	3.4
100.49474	1.0
101.02325	18.9
113.02334	8.8
119.03393	6.0
123.08022	9.2
125.05978	1.1
125.09653	1.3
129.01842	0.9
134.03609	1.7
138.06821	2.0
139.07520	1.1
141.46381	0.9
143.03424	1.9
149.42154	0.9
151.07578	3.3
152.08321	2.9
152.66437	0.8
153.09108	12.8
159.02948	1.6
161.04453	11.1
161.09627	5.9
179.05545	2.0
179.10695	2.4
187.11235	1.1
205.12279	12.4
209.11681	1.2
223.13365	15.3
224.13670	1.2
237.11220	1.1
241.14421	19.0
242.14705	1.6
267.07095	1.2
269.07693	1.7
315.14413	3.9
327.14496	3.1
367.17636	2.5
385.18625	11.2
386.19318	1.3
403.19644	13.8
404.20074	1.1
430.43420	0.8
445.12122	1.6
445.20877	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57278	0.3
57.03345	0.5
58.00483	0.5
59.01252	7.7
63.73890	0.4
70.90784	0.3
71.01258	4.4
71.56126	0.6
72.00785	2.3
72.99175	0.7
74.02341	1.7
75.00748	73.7
76.01095	1.0
85.02831	1.0
87.00768	0.7
89.02322	6.6
96.95930	0.5
99.00706	0.4
101.02312	2.2
103.00253	100.0
104.00581	1.0
104.03415	11.4
105.01790	0.8
105.84404	0.3
109.02823	0.6
113.02352	2.1
114.01859	0.4
119.03385	2.0
128.03404	0.4
131.03386	0.4
131.04497	1.2
140.59065	0.4
141.56952	0.3
143.03496	0.4
149.04430	0.6
161.04443	1.0
179.05571	4.6
253.21552	0.3
306.50964	0.4
315.20334	0.3
338.11948	0.4
341.10864	10.6
342.11343	0.4
362.33972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68363	0.2
59.01251	4.1
71.01247	0.8
81.45855	0.2
83.01278	0.3
83.13132	0.2
85.02808	0.4
89.02311	0.5
90.67552	0.2
98.19849	0.7
101.02333	0.5
108.73878	0.2
113.02296	0.4
123.19611	0.2
135.02811	0.2
161.04454	0.2
165.12779	0.3
180.05734	0.4
181.06549	2.9
183.04414	0.9
197.06024	1.9
198.06790	1.8
209.05980	0.6
209.55205	0.2
221.11836	0.5
224.04810	0.3
225.05527	44.7
226.06215	9.5
227.06686	0.3
239.07083	0.5
240.07867	0.5
241.08673	100.0
242.08998	8.1
247.09628	0.3
265.10776	0.6
293.28250	0.2
327.21735	0.7
385.12927	1.1
397.49429	0.3
426.54880	0.2
445.15100	5.5
446.15396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38654	0.8
59.01254	100.0
60.01567	1.1
61.53404	0.6
62.56902	0.7
70.14609	2.2
70.15022	1.6
87.51944	0.9
89.14220	0.8
116.28694	0.9
142.96338	0.7
185.90677	0.7
236.18088	0.8
291.19720	2.5
309.20642	2.2
406.31287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08427	0.5
55.01785	0.5
57.03321	1.7
59.01254	28.6
61.98705	1.2
68.99700	0.9
69.03333	1.1
69.76377	3.1
71.01258	13.0
72.99181	3.3
73.02834	2.7
75.00744	6.5
77.47078	0.5
77.79631	0.5
81.03332	0.8
83.01257	1.6
84.32083	0.5
85.02831	10.1
86.54511	0.5
87.00761	3.4
89.02326	4.0
93.03358	1.0
95.01263	2.2
96.95889	0.9
97.02831	0.8
97.08315	0.5
98.20463	0.7
99.00764	4.7
101.02341	2.5
103.00224	0.7
106.06512	100.0
107.04910	8.3
107.06848	3.2
108.05261	2.8
109.02824	0.7
113.02338	10.7
115.00286	0.5
117.01822	1.2
119.03357	0.6
121.02856	0.8
137.02341	1.1
149.02365	0.8
150.05516	53.9
151.05917	2.7
155.82626	0.6
161.04462	1.1
175.02412	1.0
179.10596	0.6
181.08652	1.2
189.04036	0.7
194.04530	25.4
195.04797	1.0
197.11821	0.9
205.12350	1.1
209.11769	1.3
211.13371	0.7
223.13020	0.6
224.09213	1.4
226.75601	0.5
231.05119	1.5
241.08646	1.6
241.10797	1.4
249.06151	16.8
250.06415	0.9
255.02936	0.6
267.07233	4.9
268.08002	0.7
280.18884	0.5
285.04163	0.6
357.13022	0.5
382.11484	1.5
400.12500	21.3
401.13120	2.8
402.14951	1.2
426.10696	1.0
444.11417	37.9
445.11725	4.3
445.16650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.0
59.01254	25.6
60.01577	0.5
60.68248	0.5
61.98695	0.9
66.47751	0.5
67.01762	0.4
68.99686	1.1
69.03319	1.1
69.76476	1.4
69.76909	1.7
71.01254	12.8
71.64011	0.5
72.99167	3.1
73.02817	2.7
75.00752	7.7
75.01151	0.9
80.04919	0.8
83.01243	1.3
85.02832	9.7
87.00755	3.5
89.02316	3.7
91.03893	0.6
93.03345	1.3
95.01265	1.8
95.61568	0.6
96.95879	0.8
97.02824	0.6
99.00762	5.3
101.02319	2.5
106.06506	100.0
107.04897	8.3
107.06823	4.0
108.05250	4.2
109.02830	0.6
113.02328	10.2
113.03063	0.8
115.00252	1.3
117.01827	0.8
118.41578	0.4
119.03421	0.8
121.02840	0.9
127.47180	0.6
129.01857	0.5
131.03377	0.6
137.02345	1.0
150.05507	53.0
151.05852	2.0
151.07599	0.7
153.09052	0.5
161.04463	1.8
175.02386	1.2
181.08640	1.1
194.04518	23.7
195.04875	1.4
197.11772	1.3
205.12195	0.8
209.11697	0.9
210.00641	0.6
223.13403	0.8
224.09273	1.1
231.05083	0.7
241.08662	0.9
241.10849	1.2
249.06122	17.4
250.06511	0.7
255.03012	0.8
267.03094	0.7
267.07153	5.1
268.08276	0.5
283.02734	0.7
284.03198	0.6
382.11526	1.1
400.12469	22.0
401.12933	1.8
402.14902	0.8
444.11414	34.8
445.11850	4.6
445.16925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03324	2.1
58.00463	1.1
59.01253	100.0
59.96686	0.9
60.01591	0.7
67.01762	1.2
69.03331	1.5
69.63803	1.3
69.64214	4.4
71.01256	36.5
71.04903	3.2
71.60377	0.8
72.01621	1.1
72.99189	2.2
73.02823	39.3
75.00758	4.3
82.09826	0.7
83.01257	10.5
83.04926	1.1
85.02834	12.3
85.06466	2.8
85.99976	0.9
87.00761	14.0
87.04396	11.6
89.02318	7.8
93.03345	1.0
95.01289	3.6
95.04906	2.9
96.95885	1.0
97.02844	4.8
97.06459	1.3
98.81870	0.7
99.00768	4.5
99.04433	3.9
101.02327	25.0
107.04903	4.2
108.02061	1.1
109.02841	5.2
109.06470	1.6
111.00748	1.2
113.02333	17.2
113.05961	10.8
117.03350	1.2
117.06971	0.8
119.03437	2.0
121.06495	2.5
123.04397	5.0
123.08023	1.4
125.02359	1.7
125.05972	5.6
125.09618	2.3
127.03908	16.7
128.04280	0.8
131.03400	1.5
134.03627	13.6
135.04402	1.9
135.08044	3.2
136.05154	1.0
137.05978	1.7
139.03928	0.9
139.07591	6.1
141.09131	1.3
143.03410	1.6
145.02795	1.2
149.02386	0.8
149.04518	1.2
149.05988	5.7
149.09566	4.1
151.03963	1.1
151.07533	4.7
151.11198	4.3
152.04700	5.1
153.05507	1.7
153.09149	2.4
159.02957	0.9
159.08086	3.2
160.01564	1.1
161.04565	3.8
161.05881	0.9
161.09647	2.4
162.06653	1.2
163.07555	2.4
166.06271	1.0
167.07036	4.9
167.10715	2.7
169.08606	2.1
175.03891	1.5
175.07587	1.9
175.11168	1.6
177.09134	17.5
177.12749	2.3
178.06238	0.9
178.09738	1.7
179.07141	1.1
179.10713	3.8
180.07793	1.8
184.17178	0.8
188.08311	1.4
191.07059	3.0
193.05005	7.2
193.08640	3.5
193.12288	3.5
194.09430	0.9
195.10210	18.9
195.13947	1.0
203.10699	2.9
205.08850	0.8
206.09424	2.2
211.13322	1.3
219.10262	1.4
220.11044	0.9
221.11787	35.2
222.12105	1.9
223.09711	32.5
223.13313	2.8
224.10242	2.4
237.11272	3.3
238.12056	6.4
239.10411	1.8
239.12854	35.8
240.13132	2.9
249.06152	5.2
267.07129	13.6
268.07520	1.3
311.15125	4.3
315.64313	0.7
383.17178	10.1
384.17508	0.9
401.18188	14.2
402.18555	1.5
425.18289	4.1
428.16699	2.8
442.62131	1.9
443.11966	8.3
443.19180	19.7
444.12454	1.2
444.19415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08432	0.9
58.63808	0.9
59.01254	2.1
70.26506	1.0
72.14639	1.0
78.44182	0.9
93.00043	1.6
159.08366	4.8
161.06303	2.2
162.84178	1.1
178.34523	1.1
277.07513	1.7
357.13797	1.8
359.15341	100.0
360.15454	14.3
377.16483	1.9
427.21576	58.0
428.21802	11.4
443.24545	6.3
460.95981	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.5
59.01252	100.0
62.21613	1.2
64.77934	1.0
65.99497	1.1
66.26117	1.0
67.01772	3.0
69.03336	2.5
70.86216	2.8
70.86572	1.1
71.01257	27.6
71.04887	2.1
72.99184	3.3
73.02824	11.0
75.00758	2.8
81.03342	1.2
83.01268	6.2
85.02827	18.9
87.00758	8.3
87.04401	5.3
89.02326	9.3
95.01262	3.6
95.04926	1.7
96.95902	2.5
97.02833	5.3
97.06464	1.3
99.00774	5.5
99.04409	1.9
101.02319	13.6
107.04891	1.7
109.02834	3.6
110.06619	1.3
111.71816	1.2
113.02333	21.4
113.05971	5.6
114.26012	1.1
119.03394	3.7
121.06485	1.3
123.04398	5.2
125.05981	2.7
127.03907	7.3
129.01793	1.6
131.03403	1.5
134.03659	7.9
139.07552	1.9
149.05946	2.6
149.09628	1.6
151.07533	2.2
151.11183	2.3
152.04672	2.1
153.05598	1.5
159.02853	1.3
161.04488	2.7
161.09586	1.4
162.74287	1.3
167.07036	4.7
167.10645	1.2
175.03969	1.5
175.07567	2.7
177.09097	6.0
179.07166	1.3
179.10670	2.1
189.09084	1.2
193.05016	4.0
193.08638	4.0
193.12320	1.8
195.10243	6.6
203.10686	1.6
221.11806	15.3
223.09711	9.8
223.13249	1.6
224.10132	1.3
237.11229	5.0
238.12013	1.9
239.12875	13.7
249.06123	2.8
267.07104	10.8
268.07550	1.4
281.14047	2.2
311.15085	1.9
351.09650	1.2
383.17145	13.2
401.18283	11.0
402.18640	1.9
407.33255	1.2
408.26318	1.3
443.11993	4.5
443.19177	7.2
444.12402	1.3
444.19464	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	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03321	1.9
59.01254	100.0
67.01768	1.7
69.03358	1.1
69.49545	5.9
69.49952	1.8
71.01255	32.9
71.04899	2.6
72.99174	3.2
73.02822	35.7
75.00755	2.2
79.17703	1.1
81.03339	1.8
83.01268	9.2
85.02824	12.5
85.06464	2.4
87.00756	14.7
87.04391	9.6
89.02341	5.6
95.01263	3.3
95.04929	2.5
97.02848	3.0
97.06429	1.0
99.00748	4.7
99.04412	3.2
101.02329	24.6
101.05933	1.3
107.04932	4.1
109.02846	4.4
109.06493	1.2
113.02334	17.4
113.05965	10.5
117.03357	1.5
119.03381	2.4
121.06492	1.0
123.04437	4.7
123.08054	1.4
125.02361	2.6
125.05999	5.6
125.09608	2.0
127.03908	14.6
131.03448	2.3
134.03644	9.1
135.04337	1.1
135.08037	3.5
139.03914	1.5
139.07529	3.5
139.11208	1.1
141.01848	1.3
143.03397	2.2
149.04678	1.4
149.06000	2.9
149.09641	2.9
151.07564	3.5
151.11218	3.4
152.04736	6.1
153.05499	2.2
153.09094	2.1
159.08099	1.9
161.04454	5.7
161.05763	1.1
161.09651	2.1
163.07541	1.5
167.07068	4.0
167.10724	2.1
169.05032	1.2
169.08643	2.7
174.72014	1.1
177.09148	14.7
177.12773	2.3
178.09729	1.6
179.07011	2.1
179.10669	2.6
180.07831	1.9
191.07063	2.1
193.05037	6.0
193.08650	3.2
193.12280	4.2
194.12666	1.1
195.10208	18.2
203.10823	1.8
206.09451	2.5
211.13335	2.1
219.10400	1.4
221.11801	32.0
222.12115	2.8
223.09729	26.1
223.13225	1.6
224.10175	1.6
237.11345	3.4
238.12077	6.8
239.12877	32.2
240.13377	2.3
249.06154	4.5
254.06285	1.0
267.07205	12.7
281.13916	1.7
293.23282	1.1
311.15009	3.6
381.00452	1.0
381.15131	1.3
383.17218	10.3
401.18155	13.4
402.18579	2.2
425.18259	3.1
443.12027	5.9
443.19241	16.6
444.19327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
56.35817	0.3
56.95895	0.3
57.03316	0.5
59.01255	16.8
66.01846	0.3
69.35938	1.1
69.36362	2.0
71.01257	10.8
72.99172	0.6
73.02821	5.4
75.00744	1.0
83.01262	1.4
85.02829	3.9
87.00764	0.5
87.04393	0.4
89.02338	2.5
95.01278	0.7
97.02824	0.4
99.00753	4.3
101.02323	5.5
103.00368	0.3
103.38478	0.3
107.04911	100.0
108.05242	3.5
113.02328	5.9
117.03326	0.6
119.04873	0.3
120.01152	0.4
121.02814	0.5
125.02351	0.4
131.03427	0.4
134.03636	3.9
143.03401	0.7
145.02850	1.2
147.04454	0.7
149.05994	3.9
159.02898	0.5
161.04475	5.7
163.03915	0.5
177.09145	0.4
177.12703	0.3
191.05492	0.4
193.04973	0.6
203.05540	1.3
221.11861	0.4
227.03487	0.6
243.64745	0.3
249.06061	0.4
255.03032	0.8
256.03247	0.5
261.08023	0.3
267.07214	0.8
269.10297	1.1
271.02512	1.1
272.03003	0.4
284.03314	0.6
285.03699	0.6
300.02603	0.5
301.03235	0.5
311.11359	2.5
346.11542	0.4
362.08194	0.8
362.58340	0.4
401.14465	12.3
401.19333	0.7
402.14850	1.3
409.21796	0.4
443.15692	10.8
444.16019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81596	0.6
55.01752	2.3
55.14064	0.7
55.59273	0.6
57.03327	4.8
57.77917	0.8
58.00463	1.6
59.01252	25.6
59.26580	0.8
67.01763	2.5
68.99689	2.7
69.03325	1.8
70.63424	1.7
70.63776	1.5
71.01253	31.1
72.99181	8.3
73.02824	2.1
73.26647	0.7
75.00748	19.7
81.03345	1.0
83.01274	1.6
85.02821	29.9
87.00755	12.1
89.02326	7.2
89.03844	3.9
91.03893	1.9
93.03350	1.2
95.01252	5.9
99.00763	13.8
103.00241	1.9
111.00742	1.1
113.02335	29.0
115.00271	1.7
117.01813	2.8
117.03348	12.4
119.04916	1.3
129.01857	2.0
132.02060	2.3
133.02850	4.3
134.03638	100.0
135.04433	4.0
145.02861	3.6
148.05168	0.9
149.05998	6.3
160.01552	10.0
161.02367	3.8
175.02420	2.3
175.03935	8.3
179.03432	1.8
193.04990	36.3
194.05354	1.5
207.05078	1.3
227.03456	1.2
227.59761	0.8
231.05168	1.3
249.06116	27.3
250.06381	1.3
252.06366	1.5
253.07144	1.9
255.02962	1.3
267.07175	81.2
268.07434	4.8
284.03259	2.0
285.03571	1.1
383.09537	0.9
425.10895	3.2
442.62170	2.1
443.11938	46.4
444.12219	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51327	1.2
57.03320	3.0
57.69278	1.3
59.01256	16.8
59.46722	1.4
60.66461	1.7
67.32927	1.3
68.99693	2.5
69.03342	2.2
69.43030	8.0
69.43460	4.4
71.01254	20.3
72.99184	5.7
73.02829	1.9
75.00750	15.0
85.02826	21.5
87.00739	7.3
89.02300	5.3
95.01275	2.5
98.19807	3.2
99.00758	11.8
103.00240	2.5
113.02333	28.4
115.00212	1.7
117.01845	2.8
117.03362	6.6
129.01857	2.1
133.02788	2.0
134.03639	68.0
135.04201	3.0
149.05984	6.6
160.01591	7.0
161.02304	3.4
166.27869	1.6
175.02548	3.5
175.03947	8.6
193.04994	42.0
194.05464	2.8
221.66148	1.9
231.05174	1.9
249.06158	34.7
253.06937	1.7
267.07175	100.0
268.07599	5.5
425.10690	3.6
426.11200	1.7
443.11938	60.7
444.12329	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.4
59.01253	26.5
68.13960	1.3
68.99699	3.4
69.03307	2.9
69.64746	1.8
69.65158	6.5
71.01254	31.9
72.99183	6.9
73.02813	2.2
75.00748	23.5
85.02818	28.7
87.00747	10.7
89.02306	6.2
89.03862	3.6
93.03350	1.2
95.01257	5.8
98.20501	2.5
99.00751	13.6
101.02374	1.3
103.00263	2.4
111.00757	1.5
112.01567	1.2
113.02329	35.4
115.00232	2.2
117.01800	3.5
117.03365	10.5
121.02802	1.5
129.01816	2.9
132.02133	1.4
133.02867	4.4
134.03635	100.0
135.04103	3.6
145.02769	2.0
149.05978	5.9
160.01575	11.1
161.02299	3.5
175.02509	2.8
175.03932	11.0
176.04192	1.6
179.03421	2.3
193.04993	37.7
194.05315	2.4
207.04955	1.6
231.05005	1.9
249.06146	41.6
250.06522	1.7
252.06276	2.2
253.07060	1.9
255.02962	1.3
267.07175	93.5
268.07507	4.3
284.03027	1.3
344.41168	1.2
381.11502	2.0
411.09198	1.9
425.10944	4.4
442.62280	2.1
443.11938	68.8
444.12311	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79705	0.6
59.01251	100.0
60.01591	1.7
69.31030	6.4
71.01257	5.0
72.99181	5.9
73.02823	2.1
84.42200	0.6
85.02816	4.2
86.75784	0.6
87.92566	0.6
89.02328	1.6
95.01274	1.6
98.19840	1.3
101.02332	2.6
103.00272	2.0
113.02334	4.9
131.03424	1.5
133.01277	0.8
175.02426	0.7
193.03510	4.2
210.51604	0.6
298.56027	0.6
330.17712	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79510	0.4
59.01252	100.0
60.01591	1.4
61.90446	0.6
69.31104	5.3
70.78011	0.4
71.01244	4.1
72.99168	1.0
73.02817	1.0
85.02842	2.1
89.02332	0.8
95.01264	0.6
98.19740	0.9
101.02360	2.3
113.02314	2.3
121.00919	0.4
140.99193	0.4
161.04480	0.7
193.03514	0.7
390.92099	0.5
409.64877	0.5
468.15903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
58.00468	0.3
59.01251	100.0
60.01590	1.0
61.41380	0.3
71.01254	7.9
72.99176	0.7
73.02820	5.6
80.60629	0.3
83.01251	1.8
85.02834	2.0
87.00756	0.5
89.02315	2.5
95.01247	0.5
97.06460	0.6
99.00783	0.4
101.02321	5.6
113.02328	2.5
119.03398	0.7
119.08572	0.3
125.02302	0.3
131.03381	0.3
135.08075	0.9
143.03471	0.3
145.02902	0.5
149.04466	0.3
161.04477	0.8
183.13715	0.5
252.04308	0.9
267.06665	1.5
273.18762	0.4
307.19492	0.5
326.17514	0.5
385.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.26590	0.3
55.01761	0.4
57.03331	0.6
59.01255	100.0
59.83484	0.3
60.01598	0.8
62.56284	0.3
70.00197	1.1
71.01260	5.3
72.99174	0.3
73.02827	1.4
81.16988	0.3
83.01273	0.7
85.02828	1.6
89.02325	2.9
95.01296	0.6
96.49987	0.3
99.00766	0.4
101.02320	3.2
113.02328	2.5
119.03424	1.0
135.08107	1.2
145.02847	0.3
158.14879	0.3
161.04416	1.4
171.10234	0.6
211.56287	0.3
237.14908	0.3
266.62436	0.3
289.18100	0.4
307.19183	0.4
399.24100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56163	1.3
59.01250	100.0
63.14373	1.5
63.89206	1.4
71.56866	1.7
71.57238	2.8
74.03777	1.4
171.10188	1.6
289.17963	3.3
307.19040	3.0
371.44342	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
63.52271	1.4
78.64200	1.5
109.02819	1.7
112.21288	1.7
135.57249	1.4
142.15297	1.4
154.37033	1.7
162.78792	1.6
170.53862	1.6
217.00287	2.4
255.02814	2.1
256.92856	2.1
281.33496	1.5
289.18124	3.2
307.19034	3.1
322.13531	1.8
441.26892	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24538	0.4
57.03318	1.0
59.01253	100.0
60.01588	1.1
69.42049	1.0
69.42464	3.3
71.01257	7.8
71.04884	0.8
72.99184	0.6
73.02814	8.9
83.01290	2.9
85.02839	2.0
89.02314	2.6
99.00787	0.5
101.02327	5.9
113.02351	4.2
119.03462	0.7
131.03386	0.7
161.04480	0.8
175.14914	0.7
198.99416	0.5
211.13351	0.6
219.13806	2.4
229.14462	0.7
230.14859	0.9
235.17244	0.5
249.87065	0.5
280.25912	0.4
382.14346	1.0
441.21420	1.9
441.30786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01253	100.0
60.01577	0.9
69.66003	3.2
71.01257	4.9
73.02839	1.9
85.02842	1.4
88.07627	0.5
89.02341	1.7
93.54042	0.5
99.00745	0.5
101.02325	3.0
111.43663	0.4
113.02319	2.5
119.03412	0.8
132.68828	0.5
137.02428	0.8
156.80573	0.5
159.80232	0.4
161.04558	0.6
187.86459	0.4
221.56125	0.5
241.14468	0.9
241.18886	0.5
293.21515	0.6
345.13300	0.4
381.23160	0.5
399.24060	1.8
442.12375	0.6
469.89575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94573	0.7
57.03325	2.8
59.01255	7.9
61.98682	1.1
62.07942	0.9
67.88722	0.8
68.99679	1.7
71.01246	4.2
71.57922	1.6
73.02814	1.2
78.95757	0.8
89.02294	1.1
90.52631	0.7
94.02854	1.3
96.95910	0.9
101.02278	1.1
105.43852	0.8
113.02296	0.8
113.99449	1.3
130.72618	0.9
133.42924	0.8
139.11171	1.3
144.50302	0.7
164.14398	2.0
165.61150	0.8
177.04221	10.8
190.05035	1.8
190.12317	2.6
204.13882	2.3
208.13385	3.4
209.03212	2.6
209.13739	0.8
222.14960	2.7
233.13495	0.8
234.15019	1.9
250.14481	1.3
262.14404	1.0
270.62897	0.8
271.64618	0.9
288.12405	25.4
289.12735	2.4
297.09723	1.4
306.13467	65.3
307.13815	7.0
380.17130	46.8
381.17496	4.9
392.17419	0.9
422.17685	1.5
440.19235	100.0
441.14044	1.2
441.19632	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	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36450	0.9
53.12418	0.9
55.44915	0.9
57.03326	64.4
57.17550	1.1
58.03667	1.2
59.01255	25.4
63.04515	0.9
65.97216	0.9
68.55173	1.1
71.01257	5.6
72.99184	2.4
73.02832	1.3
75.00754	3.3
77.84328	1.0
79.95586	1.0
81.03335	21.0
83.01295	1.5
85.02840	4.1
87.00770	5.1
96.95924	1.7
97.01579	0.9
98.19784	3.0
99.00768	2.1
99.04397	11.1
101.02326	19.4
105.65636	0.9
113.02357	2.0
116.01073	1.1
117.03350	2.3
119.04947	1.3
121.02858	4.7
125.02381	1.3
134.03642	1.2
135.04445	1.4
145.02834	5.0
149.02351	66.2
150.02763	2.2
152.00932	1.0
162.03139	1.1
163.03938	2.5
164.04707	100.0
165.01891	1.0
165.05038	4.1
166.02643	2.4
177.05553	2.0
179.07063	83.8
180.07388	4.4
180.22797	0.9
183.06537	1.6
193.01491	1.2
208.03754	4.2
222.05283	3.8
223.06114	11.6
223.13335	1.2
227.03513	3.2
255.03001	3.9
284.03180	4.6
292.15958	1.2
297.06827	1.0
297.09805	45.4
298.10266	2.9
339.10822	64.5
340.11221	3.7
379.13986	40.5
379.18951	1.5
380.14371	4.3
441.13339	4.5
441.17694	10.8
442.11984	3.8
442.17825	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75249	0.4
53.75969	0.4
59.01245	0.7
78.95778	47.8
79.95615	2.1
87.00812	0.4
91.82996	0.5
96.24181	0.5
96.95900	89.8
96.96847	100.0
97.69112	0.4
98.20741	0.4
99.00762	0.5
103.03358	0.5
103.67220	0.4
229.20789	0.5
241.00134	0.5
407.98700	0.4
439.08682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74781	21.8
59.01250	100.0
59.54699	28.7
70.78644	21.9
71.01258	55.4
71.58038	33.4
85.02859	25.6
87.00761	28.6
96.95885	50.8
145.02892	33.9
369.05750	22.3
423.67230	27.9
439.17224	78.0
440.11993	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84782	2.9
55.99113	2.4
57.86730	2.2
59.01247	27.1
69.99959	10.4
71.01254	25.6
72.99177	2.4
73.02814	8.9
74.22968	2.8
75.00742	5.7
83.01273	2.6
85.02829	7.3
89.02323	5.3
95.40182	2.5
96.95880	3.4
98.20504	2.9
101.02318	8.6
111.07944	3.0
111.87018	2.7
113.02337	13.6
155.20163	2.6
182.96310	2.9
193.46059	2.8
252.34932	2.5
271.22684	4.1
272.45401	2.7
273.22189	6.2
276.65674	2.7
277.21716	100.0
278.22098	10.3
291.23279	21.0
301.21600	4.8
303.66425	2.9
319.22940	14.9
330.04688	2.6
331.22781	19.8
349.23764	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	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	42.1
71.01264	24.2
71.06298	7.2
73.02819	7.0
75.00739	12.4
85.02808	6.2
96.95967	4.4
101.02318	5.1
113.02284	12.8
179.10995	4.8
198.28539	3.9
271.22720	15.3
277.18924	8.0
277.21741	100.0
278.22064	11.6
291.23203	21.6
319.22839	13.5
323.66193	4.1
331.22815	29.4
349.23746	5.8
409.76050	4.5
424.38455	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	438.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65981	1.9
59.01257	100.0
60.01586	5.8
61.98706	99.9
69.47282	5.0
69.47706	12.3
70.07854	1.8
70.22999	1.7
71.01256	9.9
73.02806	4.0
75.00737	2.3
76.38866	1.8
80.52338	1.9
85.02846	4.8
101.02318	4.3
102.05511	3.5
111.01841	2.0
113.02383	4.2
113.03560	2.1
122.81664	1.9
146.04488	4.7
163.35059	1.8
179.03441	2.0
181.00989	2.0
209.04422	2.5
241.14418	2.2
335.20654	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	439.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14735	0.6
64.63445	0.6
71.33461	0.5
78.95776	42.7
79.95584	1.9
96.95885	100.0
96.96835	74.5
110.72579	0.5
205.18884	0.5
246.94121	0.5
261.16135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.4
70.53638	1.2
78.95778	45.0
79.95609	1.8
96.95902	88.0
96.96849	100.0
115.92719	0.5
131.73561	0.4
154.02296	0.5
193.72183	0.4
197.24651	0.4
197.26508	0.4
207.14610	0.5
399.02573	0.4
439.08597	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
60.01595	0.8
60.56761	0.6
69.27821	1.6
69.28227	4.2
71.01257	4.7
72.26789	0.5
73.02839	1.5
85.02831	2.8
89.02354	1.0
95.01248	0.6
98.15140	0.6
98.19836	1.3
101.02322	3.0
103.70747	0.6
113.02332	2.8
125.66766	0.5
148.80937	0.6
155.77289	0.5
159.02896	0.7
161.04518	2.0
306.86502	0.6
317.19940	1.5
335.20779	12.4
336.21152	0.8
377.21954	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41170	0.5
55.42822	0.6
58.08624	0.5
59.01252	100.0
60.01610	1.2
65.21111	0.5
71.01254	6.1
73.02827	1.6
73.09884	0.5
75.00758	1.0
83.01263	1.0
85.02821	2.8
89.02340	1.9
95.01284	0.8
95.64311	0.6
98.42287	0.5
99.00778	1.1
101.02310	3.5
113.02353	2.2
129.65279	0.5
145.02921	0.9
149.14827	0.6
152.88148	0.6
161.04501	1.8
173.15425	0.8
193.66531	0.6
201.11353	0.7
221.12277	0.6
317.19757	0.8
317.97565	0.5
335.20721	11.2
346.20786	0.5
361.73386	0.6
363.63202	0.7
377.12036	0.6
377.21930	0.6
402.39612	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	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71399	1.6
55.01739	2.5
55.67532	1.5
56.95052	1.5
57.03318	6.9
59.01252	34.3
60.01592	1.4
69.36022	16.5
71.01259	20.0
72.99189	6.5
73.02831	3.1
75.00743	15.3
83.04866	1.6
85.02824	18.2
87.00751	7.0
89.02335	6.8
93.03326	1.7
95.01271	6.2
97.02901	1.7
97.06469	9.0
98.20497	2.7
99.00767	11.8
99.01316	1.9
101.02345	7.6
103.00282	2.2
109.02812	1.8
113.02325	19.2
115.00285	1.6
117.01843	2.6
118.81903	1.5
123.08034	6.0
125.09614	73.0
126.09930	2.6
129.01842	4.2
145.02843	4.4
157.01338	2.3
165.01875	2.5
169.08609	1.8
175.02354	3.2
180.04230	1.6
187.09691	53.6
187.11377	3.2
188.10060	1.9
195.06563	2.4
196.07213	1.5
229.14517	1.8
249.06172	13.2
257.08197	2.7
261.13443	9.4
267.07187	3.3
289.16367	2.2
389.15808	1.7
419.15530	4.9
419.23038	1.8
437.16626	100.0
437.23737	15.3
438.17038	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	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.53936	1.5
53.30581	1.6
55.01757	5.0
56.52595	1.6
57.03320	7.0
58.00456	3.6
59.01253	78.5
60.01584	3.5
69.03333	3.1
69.40863	13.1
71.01257	100.0
72.00021	1.5
72.01589	2.2
72.99168	7.7
73.02824	22.0
75.00748	3.0
81.03338	2.9
83.01272	9.8
85.02831	38.2
85.06470	4.8
87.00755	6.2
89.02322	64.4
93.03341	1.5
95.01254	5.0
95.04913	5.0
97.02843	5.6
99.00786	8.9
99.04414	8.4
101.02325	51.9
109.06470	2.2
111.00761	8.7
113.02332	26.4
114.53999	1.5
115.03899	2.0
119.03406	5.9
121.06515	3.6
123.04398	4.6
125.02334	12.5
131.03407	22.6
137.02295	1.5
143.03403	4.6
143.10712	7.2
147.04427	4.5
149.04443	14.8
151.07559	1.6
159.02936	3.6
161.04491	20.2
161.05907	2.8
164.58482	1.6
177.09145	16.7
179.07057	16.6
188.03300	1.5
191.05556	5.6
201.11272	8.6
214.69966	1.5
233.06665	5.4
239.09242	4.1
271.02478	1.9
293.08768	4.8
300.02606	2.0
305.16013	15.4
311.89609	1.4
437.20172	22.9
438.20874	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84989	0.4
57.03327	1.6
59.01253	100.0
60.01589	1.6
69.03338	0.6
69.90611	1.5
69.91025	1.0
71.01256	9.4
72.99184	1.1
73.02821	2.9
75.00751	3.6
77.52826	0.4
81.03338	2.1
83.01274	2.0
85.02827	6.0
87.00776	1.8
87.04388	5.3
87.21323	0.5
89.02348	1.7
93.03365	1.2
95.01277	1.5
95.41327	0.5
98.20489	0.7
99.00760	2.3
101.02333	3.7
103.00276	0.8
104.16702	0.5
108.02107	0.5
113.02325	6.7
119.04959	1.2
123.04429	4.6
125.02325	2.3
151.00294	0.5
161.04514	1.2
167.03421	10.3
167.04701	0.8
179.03477	1.3
185.11769	2.9
199.13425	0.6
243.92857	0.5
249.06142	11.2
249.08545	0.8
250.06488	0.9
267.07321	2.4
273.07693	14.5
274.08032	1.3
309.08231	3.0
310.08795	0.8
333.19254	1.4
375.20041	1.1
375.24149	2.1
376.24878	0.5
393.25128	2.1
396.01340	0.5
417.17120	0.6
417.21933	0.8
435.18143	4.5
435.23383	13.0
436.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32399	0.9
55.01762	3.1
57.03324	7.1
58.00463	2.5
59.01252	100.0
59.88300	0.9
60.01573	2.2
60.99172	1.3
69.03323	2.8
69.41566	4.6
69.42003	6.0
71.01256	82.9
71.04887	3.2
72.01591	1.1
72.99191	5.8
73.02819	16.0
75.00741	2.4
81.03336	2.0
83.01266	9.9
84.01540	1.0
85.02824	26.2
86.49805	1.0
87.00775	7.0
87.04384	1.4
89.02317	56.3
93.03349	2.2
95.01265	4.2
95.04911	9.9
97.02835	4.7
99.00758	5.4
99.04394	18.8
101.02324	48.9
102.02675	1.3
102.95836	1.1
109.06489	5.3
111.00774	3.5
113.02330	19.2
115.03898	2.0
119.03407	6.9
119.04908	1.1
121.06477	11.2
123.04411	9.0
123.08057	3.2
125.02354	10.0
131.03395	16.3
133.06557	1.2
135.08023	2.2
139.07552	1.2
143.03377	3.0
143.10693	7.5
147.04440	8.5
149.04471	13.9
149.09637	2.5
151.07523	4.8
159.02844	1.3
159.08009	1.5
161.04459	15.0
161.05971	6.3
162.06264	1.3
177.09134	37.8
178.09462	2.3
178.22314	1.0
179.07056	46.7
180.07390	1.0
183.06555	4.2
191.05498	5.1
195.10199	4.1
199.21561	1.0
201.11244	3.3
221.07930	1.1
223.90193	0.9
233.06673	4.5
239.09224	10.9
267.33514	1.2
284.03226	1.3
293.08780	2.8
300.02621	2.5
305.16071	11.8
388.34570	1.1
398.39233	1.2
408.59259	1.1
437.20557	13.9
438.20569	1.4
442.31796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	55.7
57.96057	4.1
58.27975	3.2
59.01253	77.5
69.56567	7.0
69.56982	26.4
69.78397	3.1
71.01263	22.6
72.99185	7.7
73.02805	5.7
75.00748	8.4
82.69637	3.8
85.02830	14.1
87.00760	5.8
89.02309	12.4
93.88425	3.3
95.01236	3.3
96.95882	8.7
97.02798	4.2
99.00761	6.3
100.57652	4.4
101.02334	10.5
105.69250	3.5
107.04877	5.1
109.06483	4.7
113.02345	7.0
123.04383	4.6
123.08048	91.1
124.08386	5.3
125.05927	3.5
127.07536	3.9
135.08026	8.6
136.53049	4.1
137.06046	3.7
145.41273	3.4
149.02338	4.1
149.05879	3.7
161.04442	4.8
193.12308	12.8
237.09052	6.8
237.11301	100.0
255.08794	7.6
435.18643	10.7
442.68829	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
58.00459	1.5
59.01253	100.0
60.01585	1.7
67.01769	1.5
69.03353	1.5
70.31001	1.0
71.01251	21.6
72.99189	4.4
73.02835	4.5
75.00745	4.2
78.95782	1.2
83.01285	2.4
85.02818	9.8
87.00758	2.0
89.02318	10.9
89.39761	1.2
91.01770	11.8
93.03331	2.6
94.85249	1.0
95.01273	3.3
98.19824	2.8
99.00764	3.4
101.02312	13.3
102.42090	1.1
109.02840	16.2
113.02326	11.3
116.92752	2.0
119.03413	3.9
119.04910	27.2
120.05228	1.8
121.02868	5.3
125.02400	2.3
135.00790	11.3
135.04401	1.7
136.01587	1.3
137.02351	16.2
138.02744	1.1
143.03426	1.5
145.02815	1.8
149.02350	43.8
150.02803	2.6
151.03989	5.5
153.01840	23.3
161.02336	5.4
161.04480	2.2
163.03889	1.8
164.01089	3.7
165.01842	99.5
166.02161	3.2
167.03459	6.9
171.10170	1.6
176.04716	3.1
179.03418	38.2
180.04198	56.0
181.04724	3.6
185.11757	4.5
191.07062	1.4
194.05791	13.0
195.02959	2.7
195.06554	74.3
196.06950	4.5
199.09760	1.9
209.08168	12.5
210.05310	11.4
225.07660	41.7
225.14989	1.1
226.08063	2.7
227.12877	3.2
243.16086	1.7
249.06177	1.6
255.06602	53.0
256.06989	5.3
273.07520	1.9
287.14883	6.7
329.08691	22.6
330.09131	2.2
357.09860	8.3
359.01270	1.4
372.12473	2.0
375.16437	3.5
387.14502	18.1
388.14990	2.7
393.17517	2.1
435.12970	36.8
435.18085	7.6
435.23041	11.7
436.13333	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69682	0.8
55.01749	3.1
57.03315	2.8
59.01251	59.6
59.21638	1.0
60.01578	1.0
62.96598	0.8
64.96404	0.7
68.97085	0.8
69.03329	1.4
71.01254	12.4
71.04965	0.7
72.99175	3.6
73.02817	3.1
75.00751	13.3
79.14827	0.9
85.02824	13.6
87.00738	4.8
89.02332	3.9
95.01254	2.9
99.00751	6.7
99.04393	1.2
101.02325	3.7
103.00224	0.9
113.01604	1.5
113.02331	15.2
113.09639	4.2
114.02655	1.0
115.00274	1.0
115.07558	1.0
117.01779	2.3
125.09615	2.0
129.01848	2.0
132.93201	0.8
147.02898	3.5
157.01318	1.1
165.03970	5.0
165.12794	1.0
175.02380	2.2
185.11755	67.6
186.12103	4.1
207.13766	2.1
209.11813	3.1
225.14854	3.1
227.12831	24.8
228.13257	1.1
231.05241	1.2
249.06160	16.9
251.12900	1.1
267.07092	1.7
269.13937	7.0
270.14423	0.9
287.15012	66.6
288.15366	4.6
393.17444	1.1
417.17490	3.2
435.18665	100.0
436.19003	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	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68008	0.2
59.01249	0.8
71.37401	0.6
92.43169	0.3
117.03352	17.7
118.03660	0.3
119.04922	24.4
119.44274	0.2
120.05264	1.0
121.02850	1.6
123.04401	0.4
133.02907	0.3
134.37679	0.3
145.02861	100.0
146.03188	4.5
158.38069	0.3
163.03928	16.7
164.04263	1.0
269.21252	2.2
287.22287	6.7
287.25262	0.5
288.22690	0.5
415.24905	0.7
433.25974	28.3
434.21207	0.2
434.26324	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
70.86689	0.8
71.32484	0.2
72.87635	0.3
73.75163	0.2
92.78467	0.3
96.95895	0.5
117.03356	17.5
118.03689	0.5
119.04923	26.3
120.05244	1.1
121.02867	1.7
123.04388	0.3
133.02855	0.6
145.02859	100.0
146.03218	3.9
159.75526	0.3
162.03128	0.3
163.03928	18.1
164.04294	0.7
203.92822	0.3
255.63252	0.3
269.21191	2.4
287.22281	8.0
288.22491	0.5
295.55493	0.3
358.86945	0.3
415.24991	0.8
433.25949	27.6
434.26291	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03318	1.3
59.01254	100.0
60.01596	1.2
69.03321	0.4
71.01256	11.9
71.04928	0.5
71.58770	0.7
71.59142	0.4
72.99183	0.4
73.02820	3.3
74.49844	0.3
75.00750	0.5
83.01257	2.4
85.02834	5.1
85.99957	0.3
87.00782	1.1
89.02332	3.7
93.03361	0.3
95.01292	1.3
97.02872	0.5
97.06444	0.4
97.98911	0.3
99.00767	1.5
101.02322	7.3
108.09541	0.3
111.00783	0.7
113.02350	6.3
115.03891	0.4
119.03419	1.2
119.76520	0.3
121.02851	1.1
125.02362	0.9
130.77727	0.3
135.00749	0.3
137.39432	0.3
139.00217	0.3
143.03436	0.8
144.20039	0.3
155.14079	0.3
159.02931	0.6
161.02348	0.3
161.04471	2.2
162.03157	0.4
163.04033	0.4
165.01967	0.4
197.11792	0.9
226.33749	0.3
227.07097	0.6
229.18033	2.6
240.67094	0.3
267.06873	0.3
300.23550	0.3
320.02768	0.4
331.17899	0.6
373.12976	0.7
373.18005	0.7
373.22394	7.3
374.22797	0.7
389.16290	0.8
391.23395	12.1
392.23938	1.2
433.15262	1.2
433.20636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03318	3.3
58.00467	1.9
59.01255	100.0
60.01592	0.9
69.03316	0.7
69.94091	4.6
71.01256	54.0
71.60498	0.7
72.99184	1.7
73.02818	10.1
75.00725	1.2
81.60934	0.8
83.01254	4.5
85.02829	18.6
85.99982	1.4
87.00766	2.6
87.04390	4.5
89.02321	31.3
95.01277	3.8
95.04916	0.9
99.00779	4.1
101.02329	32.3
102.06181	0.9
112.48441	0.8
112.77151	0.8
113.02338	21.7
114.07644	0.7
119.03392	15.4
122.54620	0.8
125.02333	1.6
131.03432	1.5
143.03426	3.7
147.83562	0.8
149.04474	1.0
149.20537	0.8
159.02951	3.0
159.06520	2.1
161.04469	16.3
163.04015	0.9
165.06355	0.9
179.05504	6.5
249.09792	1.0
271.19144	6.0
319.17682	1.6
345.19156	2.6
433.24515	19.0
434.24637	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24553	0.5
52.94047	0.5
55.62541	0.6
57.03311	0.8
59.01252	100.0
60.01587	1.2
69.31247	5.2
70.00007	0.5
71.01258	6.0
72.99189	0.6
73.02818	1.8
75.00758	0.7
83.01291	0.6
85.02818	2.4
87.00755	0.6
89.02316	3.3
89.46838	0.5
95.01272	0.8
96.91634	0.4
97.30137	0.5
98.20667	0.9
98.41192	0.5
99.00774	0.7
101.02338	2.0
101.12660	0.5
113.02340	2.6
121.02946	0.6
123.18327	0.5
125.02370	1.7
126.62412	0.6
137.02338	0.5
138.05602	0.6
161.04488	0.8
167.03378	0.9
183.10211	0.8
196.73067	0.5
207.06651	0.8
223.06049	0.9
236.77020	0.5
255.02882	0.7
264.96591	0.6
267.07306	2.0
271.02612	0.7
271.06253	0.8
300.02847	1.6
301.03513	0.9
331.17661	1.0
371.98999	0.6
373.13315	1.1
373.18723	1.0
433.16498	2.0
433.24911	0.9
451.53644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23330	0.7
59.01253	5.8
69.90501	3.8
70.02850	6.3
71.01248	2.4
71.02382	2.3
72.00780	1.6
73.02814	0.9
75.00734	1.5
75.61134	0.6
80.70874	0.6
81.20197	0.5
88.03975	0.7
89.02303	1.3
90.32360	0.7
95.02397	6.0
101.02341	0.7
111.01908	2.5
113.03460	33.3
114.01856	25.8
114.27519	0.5
115.02170	0.9
125.56731	0.6
131.04521	100.0
132.02895	2.0
132.04843	2.0
186.06818	0.7
257.22537	0.7
292.06891	0.7
349.62540	0.7
433.40762	0.7
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
55.01743	0.8
57.03331	2.3
57.09643	0.8
59.01251	100.0
60.01575	1.2
64.06870	0.8
69.68319	3.9
69.68738	1.3
71.01251	11.3
72.99184	2.4
73.02817	3.2
75.00752	4.5
83.01254	2.2
85.02818	6.8
87.00759	2.9
89.02331	4.3
89.24368	0.8
91.03912	0.8
93.86987	0.9
95.01278	4.1
96.21009	0.7
98.19804	1.0
99.00764	3.0
101.02317	4.5
107.04940	0.8
111.00751	1.1
113.02339	7.0
123.00761	2.4
124.01598	1.2
125.02304	1.3
129.01814	1.0
139.00279	2.3
147.02882	0.9
161.04491	1.0
165.12735	1.4
165.30475	0.8
166.02617	1.2
177.01883	1.2
178.02669	1.9
179.14314	1.9
181.04927	1.2
181.12154	0.8
183.10222	2.3
192.04207	1.2
193.04945	2.6
204.04195	1.1
207.06468	1.3
211.01906	0.9
211.13283	7.6
212.13707	1.0
213.14923	10.4
221.04691	1.0
223.13292	6.6
241.14436	35.1
242.14735	2.5
249.06157	5.9
251.12862	3.2
253.14447	1.5
264.43878	0.8
267.07208	5.8
271.06161	1.5
277.14325	1.1
285.17154	1.0
315.18161	8.7
343.08109	1.3
343.17715	1.8
361.71942	0.8
373.12891	6.9
374.13251	1.3
403.09705	1.8
403.14087	2.2
418.12701	2.8
433.15610	14.1
434.15491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.6
57.03312	3.7
58.00456	3.7
59.01251	48.5
60.01606	1.2
65.00183	6.6
67.01762	1.6
69.03320	3.0
69.68494	6.8
71.01252	19.4
71.04883	1.9
71.05456	1.5
72.99160	5.3
73.02805	4.0
75.00744	13.8
75.10574	1.1
81.03306	2.1
83.01241	8.7
83.04860	1.3
85.02822	17.3
85.06468	2.3
87.00745	9.1
89.02314	8.2
91.03877	4.4
93.03341	5.5
95.01252	4.7
97.02824	2.9
98.94386	1.3
99.00756	8.3
101.02290	3.8
103.00226	2.0
107.01276	12.2
109.02811	1.7
111.00688	1.4
113.02336	17.7
115.00233	1.4
117.01795	2.7
117.03372	1.5
119.03493	1.9
119.04916	33.8
121.02803	4.2
121.10098	1.5
123.00740	1.5
124.27090	1.2
125.02336	7.8
125.76773	1.0
129.01773	2.7
137.02333	2.8
139.11136	6.2
145.02838	2.9
147.02867	4.0
149.02303	3.2
151.00276	43.7
152.00575	1.8
161.04466	1.6
163.00208	1.7
165.01859	7.1
165.12691	3.4
167.03383	2.5
167.10605	1.5
169.01306	3.7
175.02408	2.4
175.07533	1.0
177.01784	4.2
179.14328	3.1
183.10202	17.4
183.13785	2.1
185.05891	2.8
185.15300	1.8
187.03902	4.3
193.01366	10.0
193.12427	1.3
194.70209	1.3
195.13739	3.6
197.15358	2.6
205.12355	1.5
211.13333	17.4
213.14911	29.9
214.15350	1.7
219.02884	1.4
223.13342	16.8
227.07045	2.1
231.05038	2.1
231.10214	1.2
235.13300	1.9
239.64490	1.2
241.14421	100.0
242.14742	6.2
249.06117	21.1
251.12848	7.8
253.14369	4.6
259.13416	1.6
267.07150	7.1
271.06113	64.1
272.06384	5.9
277.14194	2.7
285.13611	1.8
285.17044	2.2
313.07224	30.8
314.07346	3.5
315.14566	1.7
315.18097	22.1
316.18185	2.0
325.16388	2.0
327.17996	2.0
343.08319	6.4
343.17676	7.1
415.15717	2.1
433.11136	9.2
433.16907	52.9
434.12134	1.6
434.17120	5.7
455.20740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02130	0.3
53.31689	0.4
57.03325	0.6
59.01252	100.0
60.01586	1.1
61.01660	0.5
66.35460	0.4
71.01257	3.8
71.45833	0.8
72.99195	0.8
73.02829	1.4
75.00751	2.1
83.01282	0.9
85.02843	2.0
87.00758	0.9
89.02311	2.4
91.03894	0.7
95.01286	1.5
96.61025	0.4
99.00787	1.9
101.02329	2.8
111.00788	0.8
113.02326	3.2
119.66943	0.4
123.00788	1.0
124.01613	0.6
125.02402	0.6
127.07391	0.4
138.03181	0.5
139.00288	1.3
139.03992	0.4
147.02933	0.8
153.01889	0.7
153.05447	0.4
161.04523	0.6
178.02733	0.8
179.14366	0.5
181.04977	0.6
183.10260	1.1
189.01918	0.5
193.05011	1.1
203.03561	0.6
207.13861	0.5
211.13371	3.8
213.14902	4.6
218.05923	0.6
223.13403	3.2
241.14427	16.5
242.14836	0.9
249.06137	2.6
251.12976	1.6
253.14429	0.8
267.07339	1.7
277.14597	0.6
295.01959	0.4
315.18127	3.9
316.18378	0.6
343.08218	0.6
343.17722	1.1
358.10666	0.8
373.12967	5.2
403.09875	0.6
403.14243	1.2
413.00189	0.5
418.12845	1.8
433.15186	8.0
434.16217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38322	0.7
58.94353	0.7
59.01253	100.0
60.01575	0.8
69.50047	3.3
69.50474	2.4
71.01267	2.6
73.02829	1.0
83.01279	1.0
83.17023	0.6
85.02809	0.9
95.01299	1.3
98.20519	0.9
101.02357	2.3
113.02326	1.3
123.00807	1.9
124.01553	0.7
125.02354	1.0
139.00285	1.5
151.00385	0.7
152.01163	1.0
161.04428	1.1
166.02599	0.8
167.03421	1.0
178.02672	1.8
192.04187	0.8
193.05074	1.8
207.06526	0.9
253.14461	0.7
256.03897	0.7
272.03354	0.7
358.10638	1.6
373.08957	1.2
373.13016	7.9
373.22446	1.1
403.14365	2.4
418.12836	2.1
433.14987	13.0
433.20370	1.1
434.15518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64683	1.0
59.01265	5.3
76.53312	1.1
80.04934	7.6
92.04913	1.6
94.06492	9.8
95.03668	1.2
96.08071	4.2
97.01575	4.0
98.19666	1.1
104.04933	2.0
105.18853	1.2
106.02853	2.0
106.06522	4.4
108.04444	3.9
109.02823	2.5
109.05215	3.3
120.04456	10.3
121.05196	3.3
122.06009	36.4
123.06820	1.4
124.03923	2.0
124.07574	48.3
134.05995	1.2
136.03958	14.9
136.07578	1.6
138.05513	2.7
140.07083	2.8
148.03949	77.5
149.04381	3.5
150.05522	21.6
152.07106	1.6
164.06999	1.1
166.03703	1.4
166.05023	20.8
168.06586	13.8
178.12315	2.8
194.04501	2.7
198.42551	1.1
201.06645	1.5
210.03999	3.6
210.07716	1.2
213.06546	1.6
215.08144	2.3
215.11790	1.5
227.08162	1.3
228.08934	1.9
229.13356	2.9
230.10553	1.7
231.11351	10.7
241.09816	4.0
243.11325	3.7
255.11357	2.4
273.12436	50.4
274.12726	4.9
275.10452	1.3
290.12808	1.4
291.13507	53.2
292.13782	4.2
317.11380	10.8
327.30072	1.2
334.11707	4.2
335.12485	100.0
336.12769	10.2
389.20779	7.6
433.19635	11.6
434.19925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12477	0.8
55.50591	0.8
56.26146	1.0
59.01252	11.6
59.94643	1.0
71.01248	1.6
74.41540	0.9
75.58788	0.8
80.04939	5.4
85.02831	1.0
88.87679	1.0
94.06489	9.6
95.03647	1.2
95.17059	0.9
96.00761	1.0
96.08085	2.6
97.01563	4.5
98.05990	1.0
104.04919	2.0
106.02892	1.3
106.06490	3.8
108.04445	2.9
109.01526	1.2
109.02881	1.0
109.05220	2.1
110.05962	1.2
120.04472	7.2
121.05278	1.5
122.06017	39.5
123.06285	1.5
124.03941	1.5
124.07586	33.7
136.03969	7.6
136.07559	1.2
138.05536	2.0
140.07076	3.2
148.03952	60.9
149.04372	1.5
150.05515	11.2
152.07051	1.7
166.05011	16.6
168.05180	1.3
168.06577	15.9
184.06082	3.6
192.10201	2.4
194.04491	3.2
204.13884	1.1
210.04033	2.9
221.29128	0.9
228.08961	2.1
231.11324	5.0
241.09688	1.9
243.11391	3.4
255.11418	1.8
273.12448	39.3
274.12784	4.2
275.10388	1.5
291.13528	38.2
292.13870	3.0
317.11435	12.4
334.11740	1.9
335.12482	100.0
336.12881	8.4
340.03256	1.2
345.21835	2.2
362.85519	1.0
374.15848	1.0
389.20807	4.1
433.19608	5.3
434.19110	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
56.72527	0.5
57.03090	0.6
57.03330	9.3
58.00451	1.1
59.01253	36.9
60.01582	0.7
61.11237	0.6
67.01743	1.8
68.75614	0.5
68.99687	2.6
69.03331	13.3
69.69100	2.7
69.69507	1.1
71.01257	28.9
71.04884	2.9
72.99182	9.0
73.02823	3.1
75.00748	28.3
81.03338	1.1
82.61771	0.5
83.01257	2.5
85.02827	30.8
85.87639	0.5
87.00758	11.0
87.04434	0.5
89.02323	8.9
91.03873	0.7
93.03335	1.4
95.01268	7.1
97.02779	0.5
98.19877	0.9
99.00761	14.8
101.02312	3.3
103.00246	3.7
107.01263	1.4
109.02821	0.7
111.00743	2.1
111.04372	1.0
111.08035	1.9
113.02331	34.3
113.05955	1.6
114.02628	0.7
115.00275	2.9
115.67469	0.5
117.01821	4.2
119.03375	1.7
119.04916	2.6
123.08061	0.8
125.02309	0.8
129.01830	2.5
131.03404	0.6
139.11192	15.9
140.11575	0.9
151.00264	5.0
157.01308	1.1
161.04459	0.9
168.63539	0.6
175.02393	3.3
183.10190	25.2
184.10587	1.5
189.03941	1.3
202.98257	0.5
205.07123	1.5
211.13330	1.1
213.14925	1.7
223.13358	0.8
231.05096	4.3
241.14482	3.8
241.16631	0.7
249.06129	40.9
250.06491	2.1
251.12784	0.6
267.07220	13.2
271.06158	7.1
315.18018	1.2
373.15094	0.9
415.16235	2.6
426.85736	0.6
433.17120	100.0
434.17505	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
55.62799	0.9
57.03324	9.4
59.01252	40.1
61.98681	0.9
67.01753	1.4
68.99694	1.4
69.03325	2.0
71.01254	30.3
71.17721	0.8
72.99187	8.3
73.02818	3.6
73.46081	0.7
75.00747	24.8
81.03329	1.1
83.01246	2.4
83.04886	1.0
84.02065	0.8
85.02826	37.7
85.76665	0.8
87.00757	12.2
89.02321	7.7
95.01263	9.0
99.00756	16.6
101.02312	4.5
103.00249	3.1
111.00788	1.1
111.08015	3.5
113.02336	44.4
114.02666	1.2
115.00241	2.9
117.01832	4.8
125.02314	2.0
127.03918	2.3
129.01828	3.1
137.09639	1.2
139.00285	0.9
139.11191	38.0
140.11555	1.0
149.04495	0.9
153.01811	1.0
155.10680	1.1
157.01323	1.4
161.04445	1.0
175.02335	4.6
180.06700	0.9
183.10217	12.9
183.13803	1.2
183.17371	1.2
187.06042	1.8
193.03435	2.3
197.11775	2.8
201.11263	27.8
202.11656	1.1
209.11823	2.0
216.46202	0.8
227.16492	15.6
229.28450	0.8
249.06245	4.7
269.00250	0.8
315.14380	3.2
361.11331	1.1
371.16870	1.2
371.52872	0.9
389.18265	4.8
415.15967	2.0
433.17099	100.0
433.24274	27.3
434.17444	11.5
434.24506	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	433.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90799	0.3
59.01252	100.0
60.01587	1.4
65.00198	0.4
65.54937	0.3
67.01770	0.5
68.99677	0.5
71.01257	4.2
72.00475	0.3
72.99189	0.3
73.02830	1.5
73.83956	0.4
75.00759	0.8
81.03349	0.5
83.01273	1.0
85.02844	1.3
87.00734	0.3
89.02299	1.0
93.03376	0.6
95.01269	5.6
99.00800	0.7
101.02340	1.7
108.02023	0.4
111.00790	1.1
113.02334	2.0
114.30076	0.3
119.03450	0.5
119.04936	1.1
121.02852	0.4
123.00765	4.9
124.01551	1.3
125.02354	0.6
127.00273	1.2
135.04453	0.4
136.98766	0.9
137.02319	1.0
138.03151	1.2
139.00258	5.3
139.03874	1.8
141.01898	0.4
143.03442	0.4
145.02879	0.8
147.04419	0.6
148.09041	0.4
149.02335	0.6
151.00314	2.1
152.01059	1.4
153.01833	1.4
153.05434	0.7
153.89540	0.4
154.02612	0.4
161.02438	0.6
161.04510	0.6
162.03151	1.4
163.03932	0.6
166.02678	2.3
167.03418	1.4
174.03203	0.4
175.03926	1.2
176.01100	0.9
177.01849	1.8
177.05531	1.5
178.02640	4.5
179.03334	0.6
181.05049	2.3
189.01886	1.1
191.03391	2.0
192.04222	1.6
193.04980	5.3
194.05418	0.6
197.11781	1.5
203.03456	1.6
204.04166	1.3
205.04987	0.8
207.06544	2.0
218.05884	2.1
219.02919	0.6
219.06499	0.4
221.04436	0.5
223.06149	1.0
231.39934	0.4
234.05411	0.4
243.04065	0.4
271.06122	1.3
283.88968	0.4
331.17789	0.5
343.08182	2.2
352.63858	0.4
355.08224	1.0
358.10675	4.7
359.11212	0.6
373.09213	1.3
373.12982	17.4
373.22403	1.1
374.13312	2.5
375.10748	0.4
385.08746	0.7
385.13013	1.4
391.23343	1.5
403.10156	2.9
403.14639	6.1
404.14465	0.9
417.12079	0.5
418.12585	7.5
419.13123	0.9
424.22775	0.4
433.15048	36.5
434.15451	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	433.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94807	0.5
57.03336	0.6
59.01253	100.0
60.01586	1.7
63.15992	0.5
71.00709	0.5
71.01265	3.4
71.34906	1.0
72.99183	0.6
73.02815	1.4
75.00759	0.6
83.01238	1.1
83.88780	0.5
85.02835	0.9
89.02315	1.1
95.01264	4.7
97.02793	0.6
99.00790	0.6
101.02342	1.9
111.00790	1.4
113.02343	2.2
118.00890	0.5
123.00764	4.1
123.04429	0.5
124.01553	1.3
125.02341	1.5
127.00264	1.0
136.98787	0.5
137.02362	1.1
138.03120	1.3
139.00287	4.8
139.03915	2.0
145.02852	0.6
149.02312	0.6
151.00273	1.2
152.01077	0.7
153.01851	0.9
153.05490	0.8
161.02438	0.6
161.04478	1.2
162.03189	1.1
163.03763	0.6
166.02660	2.1
167.03426	0.8
175.03978	1.0
176.01147	0.9
177.01871	1.7
177.05467	1.6
178.02637	3.4
181.04970	1.9
184.38933	0.5
189.01878	0.7
191.03429	1.3
192.04271	2.0
193.04974	4.7
197.11775	1.2
201.89520	0.5
203.03412	1.4
204.04210	0.9
207.06520	2.4
218.05791	1.7
219.06499	0.7
221.04623	0.7
223.06070	0.9
226.58444	0.6
234.05228	0.7
271.06064	1.2
325.07349	0.8
331.17908	0.8
335.06567	0.5
343.08261	2.2
355.08334	1.1
358.10461	3.2
373.08630	1.4
373.12949	16.4
373.17752	0.8
373.22476	0.8
374.13275	1.8
385.08929	0.8
403.10101	1.9
403.14587	4.8
404.14670	0.8
418.12671	6.9
419.13095	0.8
429.66574	0.6
433.15076	29.5
434.15320	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.8
59.01253	35.2
65.00191	4.5
68.99669	0.6
69.03326	1.0
71.01260	8.5
73.02818	2.0
75.00751	2.3
79.01754	1.0
81.03333	2.5
83.01257	4.1
84.26481	0.7
85.02819	3.4
87.00763	1.0
87.04404	0.7
89.02320	4.5
92.80844	0.6
93.03335	6.2
95.01281	2.6
95.04908	0.7
95.92764	0.6
97.02836	4.9
99.00755	0.8
101.02324	4.3
105.03322	1.4
107.01268	5.3
107.04943	0.9
109.02829	1.6
111.04386	1.0
113.02343	4.5
114.48145	0.5
117.03394	0.7
119.01204	0.6
119.03429	1.8
119.04921	41.1
120.05236	1.1
121.02856	7.6
123.00748	1.6
123.04428	1.6
125.02346	15.2
135.00810	0.9
135.04362	1.0
136.01564	1.1
137.02354	4.2
139.00302	0.7
139.03937	0.8
140.70171	0.6
143.04961	3.1
145.02835	2.8
149.02342	5.8
151.00296	11.6
151.03955	1.1
155.03419	1.5
161.04549	1.1
161.06004	1.2
163.00279	6.8
163.03941	1.0
164.01059	1.4
165.01872	10.8
165.12791	0.7
167.03436	3.9
177.01791	2.8
179.03427	1.4
180.03694	0.7
183.10237	1.6
185.06007	1.1
187.04030	3.3
191.03445	1.6
193.01372	28.6
194.01688	1.6
199.07620	1.1
205.01361	1.6
207.02966	2.1
210.59079	0.6
219.02997	2.6
223.02522	4.0
227.07103	1.8
229.05090	1.3
241.08643	1.5
243.06458	0.8
249.06335	0.8
267.07208	2.5
269.08212	1.9
271.06137	11.3
272.06342	0.9
283.05981	3.0
313.07190	100.0
314.07532	9.1
325.07083	1.7
343.08218	26.9
344.08557	2.4
355.08319	1.4
371.36642	0.8
415.10376	1.7
433.11316	12.8
433.16840	1.5
433.24759	1.2
434.11505	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	8.4
59.01252	69.2
63.02269	3.7
65.00193	8.6
69.78100	3.6
71.01254	4.1
73.02818	1.9
74.02353	1.0
75.00757	0.7
79.88646	0.6
81.03341	2.5
83.01258	9.9
85.02830	1.7
86.02404	0.6
88.13596	0.5
89.02333	2.5
91.05415	1.5
93.03341	8.6
95.01279	0.8
97.02847	1.4
99.00785	0.8
99.05550	0.8
101.02342	3.1
101.03867	0.7
107.01279	17.3
108.02098	3.0
109.02869	0.5
113.02364	1.6
115.05445	1.0
117.03395	0.7
119.04915	31.2
120.05280	1.5
121.02800	1.0
123.00728	0.6
124.01553	0.9
125.02342	61.6
126.02675	1.9
128.03461	2.0
136.01555	2.8
137.02345	0.8
137.76656	0.5
139.03903	2.0
141.06923	0.7
143.04503	2.8
145.02866	0.9
147.04413	6.4
149.02350	5.6
149.13979	0.5
151.00278	56.3
152.00691	2.0
153.01860	2.0
157.06461	1.1
161.04549	1.0
161.05988	1.9
163.03929	3.5
164.01016	2.9
165.01866	2.2
165.07025	0.8
165.38281	0.6
169.01402	2.9
177.01866	7.3
178.99765	5.6
181.06352	1.3
183.08066	1.3
185.05981	3.2
187.03993	0.7
196.00090	1.1
197.06105	0.7
199.07613	2.4
209.06046	4.0
210.08737	0.7
211.13277	0.6
225.05386	1.2
227.03464	1.8
227.07100	2.3
243.06596	23.6
244.06993	1.9
253.05026	36.3
254.05357	3.0
254.07828	1.5
255.02960	3.1
267.06635	0.8
271.06122	100.0
272.06451	7.5
272.09055	1.2
284.00024	0.6
284.03226	2.6
285.04037	0.9
295.06076	1.3
373.12225	0.8
387.15695	0.6
405.12363	0.6
418.12717	0.6
433.11365	50.8
433.20963	2.1
434.11615	6.5
434.20032	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01251	13.6
63.02269	2.7
64.99857	0.4
65.00195	7.6
67.74722	0.4
71.01257	2.2
71.13265	0.8
71.13638	0.7
73.02824	0.8
75.00735	0.6
83.01256	4.6
85.02823	1.0
89.02309	1.2
93.03339	9.1
94.03680	0.5
101.02333	1.6
107.01273	13.6
108.02091	0.5
113.02316	1.5
119.04920	39.8
120.05248	1.2
121.02803	0.6
123.00776	0.4
125.02356	1.4
131.01309	0.6
136.01588	0.6
136.27794	0.4
137.02327	0.6
140.79707	0.4
145.02852	1.2
147.04457	4.1
151.00287	44.7
152.00642	1.4
160.03992	0.4
161.05988	0.8
163.00349	0.5
164.01030	0.8
165.01880	1.8
169.01308	2.2
175.00237	2.0
177.01868	5.1
185.06187	0.4
187.03952	1.2
193.01373	1.0
197.11790	0.4
227.03510	1.0
227.07130	1.0
229.05054	1.3
255.02956	1.9
257.03815	0.4
271.06125	100.0
272.06458	9.0
284.03339	1.2
295.06119	1.7
300.02887	0.5
313.07352	2.0
433.11133	0.6
433.15930	0.7
433.20697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.00455	0.6
59.01254	20.2
65.00198	3.9
67.01766	0.7
68.99689	1.1
69.03326	1.6
70.46198	2.1
71.01250	9.0
72.99180	1.1
73.02792	0.8
75.00740	1.0
79.01768	0.8
81.03343	2.6
83.01269	4.3
83.04959	0.5
85.02825	2.1
88.26719	0.6
89.02315	6.9
89.26315	0.5
89.72549	0.5
93.03332	5.9
95.01271	1.9
97.02842	4.5
99.04342	0.6
101.02325	5.9
105.03330	2.1
107.01270	5.0
109.02876	0.5
113.02340	4.3
117.03330	0.7
117.17953	0.5
119.03398	3.4
119.04919	36.9
120.05268	1.0
121.02845	7.2
123.00763	2.6
123.04413	1.3
125.02341	13.4
126.02695	0.9
129.71466	0.5
135.00766	1.1
136.01538	0.7
137.02316	4.1
143.03880	0.5
143.04900	3.2
145.02864	3.6
147.04407	0.8
149.02344	5.6
151.00293	12.5
151.03874	0.6
155.03401	1.6
161.04428	1.6
161.06093	1.5
163.00262	6.1
163.03944	1.3
164.01018	1.4
165.01859	9.0
167.03421	3.4
177.01834	1.6
179.03365	1.7
179.05507	0.8
183.10222	1.1
185.05965	1.3
187.03923	3.9
190.99782	0.9
191.03375	1.5
193.01355	22.7
194.01747	1.3
199.07591	0.8
205.01353	1.6
207.02951	1.7
211.02367	1.0
219.02959	2.0
223.02438	3.2
227.07080	1.8
241.08714	1.5
245.08316	0.7
269.08273	1.4
271.06122	9.8
272.06339	0.6
283.06204	2.7
295.73267	0.6
297.07657	0.7
311.05707	0.7
313.07196	100.0
314.07507	8.3
314.37305	0.7
325.07205	2.1
343.08218	28.8
344.08676	2.7
347.24210	0.6
355.08325	1.7
373.08957	0.8
415.10379	2.3
433.11502	12.8
433.16946	1.1
433.24390	2.1
434.11435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	5.3
59.01250	100.0
60.01569	2.5
61.61865	0.8
64.56260	0.8
66.03350	1.5
71.01258	5.7
71.45031	1.4
72.00748	1.1
73.02798	3.1
74.02347	14.5
74.03152	0.8
75.00742	1.6
82.01495	0.7
82.02859	1.5
83.01227	2.0
85.02811	3.0
86.02356	4.0
86.05988	1.3
86.98969	0.9
87.00739	1.0
87.05517	2.1
89.02307	3.1
90.00077	1.2
95.01249	1.1
96.95979	0.9
97.03931	1.5
99.00735	1.2
99.05521	11.8
101.02320	4.0
101.07056	2.0
102.05474	1.3
109.03934	1.2
111.05535	1.6
112.03917	0.8
113.02312	3.4
113.09560	1.0
119.03440	0.7
120.01133	1.3
123.00698	1.0
123.05562	0.8
125.02332	3.9
125.03396	1.7
127.05024	2.0
128.03430	33.8
135.05511	2.5
137.07123	0.9
139.03906	1.4
141.06569	3.6
143.04521	40.0
144.04797	1.3
145.06097	2.1
146.04465	3.0
149.02368	1.0
151.00266	0.8
153.06561	2.3
160.00650	13.1
161.04410	1.7
166.02592	1.1
166.09702	2.1
167.04587	2.8
167.08136	2.1
177.03294	4.2
179.04561	9.5
185.05678	1.6
197.05595	2.5
197.11754	2.3
210.08762	9.2
210.11993	0.7
213.03322	0.8
228.09901	0.9
254.07802	15.1
255.07928	0.9
267.07117	0.8
271.09805	0.8
272.08887	19.9
273.09235	1.3
288.06561	5.7
306.07654	42.2
307.07901	3.1
373.12833	3.4
385.63705	0.9
403.14001	1.4
418.12622	1.6
432.18350	4.1
433.15125	6.1
433.20209	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04490	0.6
57.03325	1.2
59.01254	27.5
61.41661	0.5
65.00205	4.4
65.11478	0.5
68.99684	0.5
69.03333	1.0
71.01258	6.4
71.09597	1.2
72.99174	0.7
73.02811	1.0
75.00744	2.4
76.63053	0.5
79.01756	1.2
81.03339	2.4
83.01247	4.3
85.02831	2.6
87.00697	0.7
89.02323	4.5
90.25671	0.5
93.03336	6.1
95.01266	2.1
95.04863	1.0
97.02832	4.5
99.00755	1.4
101.02332	4.0
105.03362	1.7
107.01272	5.0
109.02824	1.6
111.04331	0.7
113.02358	3.8
117.03356	0.9
119.04917	36.6
120.05251	1.7
121.02836	6.3
123.00759	2.3
123.04388	1.7
125.02328	13.3
129.01717	0.5
135.00769	0.9
135.04422	1.3
136.01564	0.8
137.02351	4.4
139.03876	0.5
143.04936	3.9
145.02866	3.5
149.02339	5.3
150.02951	0.6
151.00273	13.1
151.03914	1.3
155.03377	1.1
161.02319	0.9
161.04576	1.1
161.06032	1.6
163.00287	5.9
163.03879	1.2
164.00999	2.0
165.01860	8.4
167.03416	2.9
168.14236	0.6
177.01878	2.7
179.03398	1.7
183.10204	1.0
185.05989	1.7
187.03862	2.5
189.98950	0.8
190.99777	0.8
191.03381	1.8
193.01366	24.5
194.01724	1.2
196.80797	0.5
197.04420	0.6
197.11713	0.8
199.07565	0.9
205.01389	1.4
207.02910	1.7
219.02954	2.2
223.02467	3.2
227.07112	1.3
229.04988	0.9
241.08719	0.9
241.14409	0.6
243.06517	0.8
245.08191	0.9
249.06119	1.7
267.07104	3.0
269.08255	1.4
271.06110	9.8
272.06485	1.5
277.13495	0.6
283.06146	1.7
313.07187	100.0
314.07516	8.9
325.07147	1.3
328.85507	0.5
343.08224	26.8
344.08649	3.1
355.08218	1.0
415.10425	1.2
433.11432	14.7
433.16901	2.5
433.24954	0.6
434.11343	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.3
71.01247	0.6
78.95776	0.5
98.19664	0.5
117.03349	16.9
118.03705	0.7
119.04920	29.2
120.05243	1.1
121.02856	2.2
123.04410	0.4
133.02896	0.6
133.08232	0.3
145.02858	100.0
146.03174	4.4
152.99489	0.9
156.73009	0.3
163.03928	19.6
164.04231	1.0
186.59106	0.3
263.20114	2.1
267.19687	1.6
285.20694	7.1
286.20956	0.5
339.62476	0.3
413.23553	0.4
431.24341	22.8
432.24725	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	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83131	2.9
55.49612	2.6
59.01256	18.9
67.50149	3.0
69.70301	20.8
71.01252	19.4
72.99175	5.1
75.00745	10.5
80.96426	3.0
85.02825	19.0
87.00750	6.1
89.02306	4.2
95.50693	2.6
99.00748	7.8
113.02339	20.8
123.03128	11.9
124.01597	3.8
138.05510	43.8
139.03897	6.1
155.10582	2.8
161.04430	3.9
164.03413	2.8
249.06171	19.5
267.07217	100.0
268.07544	4.1
269.61551	3.2
303.94559	3.4
432.11639	5.9
433.12543	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69273	0.3
55.01765	0.6
57.03333	0.7
59.01252	100.0
60.01583	1.8
65.01133	0.4
69.03330	0.6
69.64993	2.9
69.89180	0.4
71.01257	7.8
72.99212	1.0
73.02831	2.8
75.00744	0.8
78.29563	0.4
83.01283	1.3
85.02821	3.8
87.00757	0.9
89.02325	2.2
93.03331	0.4
97.02859	0.4
99.00760	1.1
101.02320	4.4
111.00778	0.8
113.02313	3.8
117.03388	0.7
119.03387	0.5
125.02371	0.4
128.47527	0.4
131.04520	0.5
134.98169	0.4
138.01880	0.6
143.03416	0.6
161.04451	1.7
165.94576	0.4
181.08728	0.6
183.10294	1.7
193.03568	0.5
225.11331	0.7
249.06146	0.8
269.10312	0.9
281.04706	0.5
282.05429	0.4
283.06155	2.7
295.06323	0.5
311.05612	4.3
323.05658	0.7
341.06741	1.2
343.54141	0.4
371.20856	1.5
389.21866	4.0
431.09830	2.2
431.23410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40577	0.3
59.01244	1.3
62.07814	0.3
70.12442	0.3
71.05746	0.9
78.67434	0.3
78.95778	3.6
89.77623	0.3
93.03413	0.3
96.54643	0.3
96.96847	0.7
117.03348	18.5
118.03693	0.4
119.04918	27.0
120.05254	1.0
121.02834	1.6
123.04384	0.6
133.02855	0.4
145.02858	100.0
146.03195	5.0
152.99484	6.8
163.03920	18.1
164.04280	0.9
191.52328	0.3
230.91544	0.4
263.20126	2.1
267.19730	1.8
285.20721	9.1
286.21085	0.7
388.25201	0.3
431.24402	23.9
432.24707	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26156	0.4
55.01762	1.2
57.03327	1.4
58.00467	1.0
59.01251	100.0
60.01596	1.1
71.01255	18.8
71.45617	0.7
72.99181	0.8
73.02821	8.0
75.00757	1.5
83.01257	3.4
85.02832	7.2
87.00784	1.2
89.02318	11.7
95.01280	1.6
99.00788	1.3
101.02327	16.3
102.02668	0.4
113.02324	7.8
113.03058	0.5
119.03402	6.6
125.02347	0.8
131.03416	0.6
132.02074	2.4
132.71655	0.4
133.02798	0.6
143.03410	1.5
153.01825	0.5
159.02893	0.7
161.04443	3.9
165.12793	0.6
179.05544	1.2
184.05194	0.5
195.04407	0.9
196.05223	0.7
202.15695	0.4
211.03922	2.5
212.04726	0.4
223.03989	1.5
224.04759	1.3
226.02693	0.6
227.06995	0.5
239.03471	6.6
240.04248	1.8
249.06100	0.6
267.02979	6.5
268.03751	37.1
269.04486	20.6
270.04944	2.1
311.05743	0.7
371.20737	1.0
389.21799	18.9
390.22247	2.5
431.09799	20.7
431.22885	0.7
432.10275	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01849	0.6
55.01761	0.9
57.03314	1.2
58.00488	0.9
59.01255	100.0
60.01609	1.2
62.55246	0.5
69.03326	0.7
70.34270	1.5
70.34645	1.0
71.01254	20.0
72.99201	1.5
73.02820	8.8
75.00726	1.3
82.90968	0.5
83.01256	3.8
85.02831	7.0
87.00771	1.3
89.02322	12.6
95.01285	1.6
99.00797	2.0
101.02329	14.2
105.34071	0.7
113.02338	8.7
119.03388	6.3
125.02308	0.6
132.02086	1.1
139.50989	0.6
143.03346	1.2
149.07033	0.6
161.04457	3.8
183.04550	0.7
194.46048	0.6
211.03963	2.2
212.04787	0.8
223.03979	0.8
224.04822	0.9
239.03542	3.5
240.04163	1.5
241.01466	1.3
249.06090	1.0
267.02917	5.3
267.07257	1.3
268.03766	33.2
269.04510	16.4
270.02090	1.0
270.04974	1.6
271.02609	1.4
299.02100	1.9
305.19025	0.6
371.20807	1.3
389.21835	15.5
390.22455	1.8
431.10004	14.0
431.14951	0.9
432.10406	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82683	0.9
58.00491	1.1
59.01255	100.0
59.94364	1.0
60.01596	1.8
71.01258	24.8
72.99184	1.9
73.02821	14.5
75.00769	2.3
83.01257	3.8
85.02831	6.6
87.00736	2.5
89.02321	12.1
99.00777	2.3
101.02332	16.6
113.02331	12.7
119.03399	3.6
123.04385	1.9
131.03395	1.6
138.01862	2.4
141.01854	1.2
143.03394	1.5
161.02328	1.2
161.04478	3.5
164.04782	1.1
181.05020	2.3
249.06126	3.8
267.07214	1.9
268.03955	1.7
269.07700	1.7
331.50714	1.1
362.35187	1.1
399.11880	1.9
431.10678	2.4
431.18942	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34742	0.3
55.01762	1.2
57.03325	1.4
58.00468	0.6
59.01254	100.0
60.01590	1.1
61.01699	0.4
66.57735	0.4
69.40470	1.2
69.40887	2.0
71.01257	18.0
72.99171	0.9
73.02820	5.7
75.00763	1.3
83.01271	2.4
85.02824	9.8
85.99942	0.4
87.00774	1.1
89.02316	3.4
92.00700	0.4
95.01276	1.2
97.02829	0.5
99.00766	2.5
99.04456	0.3
101.02328	11.8
111.00697	0.4
113.02324	7.4
117.77956	0.3
119.03409	1.2
119.08529	0.7
125.02353	0.7
130.08665	0.5
143.03409	0.9
147.02928	0.3
147.11690	1.6
159.02936	1.1
161.04469	7.5
179.05551	0.5
181.08661	0.7
186.94963	0.4
227.16518	0.6
249.06248	1.1
251.16466	0.4
267.07162	0.6
371.20767	1.8
389.21802	15.4
390.22327	1.4
431.15063	1.7
431.23312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.7
59.01252	100.0
71.01254	42.9
72.99161	5.7
73.02814	13.8
75.00757	9.2
83.01251	3.9
85.02831	12.7
87.00742	6.2
89.02309	25.8
93.03270	4.1
96.95894	6.2
101.02325	23.8
113.02332	18.8
119.03384	14.5
123.04407	4.8
138.03729	7.6
141.05066	3.5
151.07541	4.6
153.09145	6.4
161.04486	13.9
164.01671	14.4
169.32072	3.2
174.01587	13.1
181.05049	4.5
223.13240	5.7
229.36952	4.2
257.09479	4.8
267.07318	6.0
268.03714	5.1
268.07404	7.0
269.07773	5.9
280.22873	3.6
315.14337	10.1
327.14728	4.6
335.09122	4.2
344.08173	6.9
367.17538	3.7
385.18671	9.0
430.41718	3.8
431.11276	11.8
431.18753	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09372	2.5
51.62136	2.7
55.56190	2.9
57.03310	4.1
59.01255	59.2
60.01577	3.8
66.60337	2.7
71.01248	26.5
71.57401	2.7
72.99173	4.8
75.00732	4.5
83.04891	3.8
85.02831	8.7
87.00736	5.1
89.02315	30.8
96.95882	4.0
99.62465	2.8
101.02329	20.2
101.77525	2.9
108.02049	9.7
113.02338	15.3
119.03381	12.2
131.03389	6.2
138.01875	100.0
143.03380	3.8
161.04463	6.3
179.05566	17.3
184.96529	2.9
249.06148	4.6
267.07156	4.5
271.27151	3.0
294.26694	3.3
431.18213	9.0
432.11191	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	431.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.6
65.97562	0.6
71.57868	0.8
78.95776	68.7
80.46449	0.5
93.03168	0.5
96.96840	5.4
137.81712	0.6
150.97922	1.6
152.99490	100.0
153.93262	0.6
153.99886	1.1
171.00613	2.9
198.00879	0.8
203.98157	0.6
278.10214	0.7
431.21976	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	431.2202
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
58.55437	0.2
59.01247	2.4
70.91012	0.8
73.02811	0.3
78.95779	61.4
96.96836	6.9
113.02412	0.2
116.92777	1.1
130.91039	0.2
135.26772	0.2
150.97935	2.1
152.99493	100.0
153.99826	1.2
171.00563	3.6
276.78036	0.3
277.21756	0.9
364.63354	0.3
431.21979	3.3
432.22095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03325	1.6
58.00464	0.6
59.01253	23.8
61.98698	0.4
64.18371	0.4
69.03339	1.1
71.01254	8.3
71.35236	0.6
72.99220	0.5
73.02821	7.5
75.00766	0.4
75.82949	0.3
81.03342	0.6
83.01263	2.1
83.04906	0.7
85.02834	1.9
87.00758	0.7
89.02324	1.5
95.01289	0.7
97.02824	0.7
97.06472	0.7
99.00784	0.6
101.02325	5.2
111.00759	0.5
111.08057	2.4
113.02331	4.1
117.35139	0.4
118.48562	0.4
119.03395	0.5
124.36488	0.4
125.02348	1.6
127.43182	0.3
131.03378	0.4
143.03410	0.5
155.03410	0.4
161.04482	0.9
163.11322	0.4
165.01868	0.6
165.12767	28.3
166.13136	1.4
167.14372	0.3
183.13835	78.8
184.14166	4.8
195.13776	0.6
197.15405	2.3
203.05600	0.5
207.13792	1.9
209.11777	3.6
218.84834	0.3
225.14941	2.4
227.12851	100.0
228.13217	6.4
241.14514	1.1
251.12866	4.9
252.13351	0.5
263.13071	0.5
269.14063	2.0
269.21332	0.4
287.22244	1.7
293.13806	0.9
335.14716	0.4
371.20724	0.5
389.21951	0.5
419.22495	0.4
431.19135	1.1
431.26889	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02901	0.6
57.03331	1.4
58.00470	0.8
58.02902	0.7
59.01253	100.0
60.01602	1.5
69.03350	1.1
70.23640	1.9
70.24055	1.2
71.01257	32.8
72.99191	2.3
73.02821	26.8
74.02393	0.9
75.00755	2.9
83.01260	7.1
85.02831	7.9
87.00764	3.7
89.02315	8.1
95.01272	1.8
96.00816	1.0
97.02827	1.1
99.00766	3.4
100.49823	0.7
101.02325	21.4
111.19804	0.7
113.02332	9.7
119.03422	2.7
123.08032	0.8
125.02382	2.0
131.03433	1.4
131.04420	1.1
137.09662	2.0
143.03453	1.2
147.11717	1.2
161.04437	3.8
165.12764	1.3
170.59200	0.7
178.61980	0.7
181.08646	2.6
196.36603	0.7
205.12283	0.8
209.11757	14.9
210.12160	1.4
224.13028	1.3
225.05571	1.1
227.12959	1.8
242.13933	1.1
249.06142	4.3
267.07263	1.3
273.70007	0.7
288.73657	0.7
305.43774	0.6
371.17020	5.7
371.21088	0.9
372.17484	0.8
389.18127	13.4
390.18512	1.6
399.88043	0.7
431.19330	90.4
432.19705	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44045	1.0
59.01252	100.0
62.08657	0.9
78.95779	2.3
96.95876	8.9
100.34229	0.9
134.03587	1.1
152.99474	1.7
171.00558	2.0
171.10144	1.3
242.58693	1.0
259.35114	1.0
278.22394	1.3
295.22806	7.3
315.09595	1.3
369.13022	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	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34538	0.7
54.67108	0.8
55.01746	1.0
57.03312	1.6
59.01253	100.0
60.01585	1.2
62.25763	0.8
68.99684	1.1
69.34452	0.9
71.01260	18.8
71.04884	0.9
71.46434	0.8
71.58054	1.3
72.99174	2.1
73.02824	7.7
74.02342	0.9
75.00754	1.6
75.58590	0.8
79.38974	0.8
83.01263	3.7
85.02836	7.4
87.00721	0.9
87.04424	1.4
89.02321	7.7
95.01267	2.1
96.95888	2.1
99.00759	3.2
101.02336	10.9
104.04942	3.1
113.02342	10.4
119.03375	3.1
121.02844	3.0
123.00764	1.8
124.01596	1.4
125.02331	1.9
130.06503	1.2
132.02072	3.3
133.02832	1.7
134.05978	2.2
137.02332	2.3
138.03177	1.2
139.03908	1.6
143.03360	1.9
145.02849	1.1
146.04533	0.8
147.04422	1.0
148.01573	1.1
148.03941	2.6
151.03935	2.0
153.05490	1.2
153.09116	2.0
160.01563	6.3
160.03920	3.2
161.02356	53.2
161.04309	5.7
162.02872	2.9
163.03906	2.6
165.01814	2.1
173.02327	6.9
174.03056	2.4
175.03928	14.2
176.04704	46.4
177.05133	2.9
188.04726	1.8
189.05493	2.4
190.02638	2.5
190.06305	7.8
191.03435	11.6
191.07086	4.8
203.03709	1.0
203.07085	1.1
205.05005	13.4
206.05803	8.6
209.11780	1.0
209.15411	2.0
211.13361	1.0
220.03825	0.8
220.07433	4.1
221.08171	16.3
222.08525	1.3
225.05478	2.2
227.03534	1.4
253.04977	5.6
255.02940	2.2
267.06830	1.7
267.11349	1.5
268.03793	0.8
268.07336	3.2
269.04443	2.5
269.13562	0.9
269.17548	1.4
280.03659	1.0
281.04575	3.5
283.09558	1.8
287.22388	1.2
293.04361	1.7
294.05768	1.0
295.06015	1.6
295.10895	1.8
296.03357	1.5
296.06808	2.2
297.04135	5.4
297.07086	1.4
308.07022	1.5
309.04050	3.5
310.08215	0.9
311.05588	3.3
311.09296	2.3
312.06497	4.6
323.05377	1.7
324.06375	4.1
326.07947	2.5
327.08734	8.7
328.09201	1.5
339.08749	20.8
340.09137	2.3
341.10367	1.6
342.11038	6.1
353.09949	1.0
354.11060	15.0
355.12103	2.5
356.08759	1.7
357.13434	75.5
358.13864	8.9
368.08908	1.1
369.13422	3.7
371.20770	4.5
387.14694	2.4
389.21844	2.7
399.11823	6.7
401.12360	1.2
413.12463	5.2
431.09540	2.7
431.15305	2.3
431.22427	2.8
431.27246	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61725	0.2
55.01750	0.5
57.03329	0.8
58.00480	0.3
59.01255	100.0
60.01589	1.0
62.61037	0.2
69.98452	1.0
71.01258	9.5
72.99203	0.5
73.02825	3.2
75.00744	0.3
83.01276	1.4
85.02831	3.0
87.00772	0.6
89.02321	5.0
92.04933	0.3
95.01287	1.2
97.02850	0.2
99.00775	0.6
101.02328	5.5
113.02336	7.5
119.03428	1.4
123.08146	0.3
125.02356	0.2
143.03484	0.5
149.04512	0.3
155.03426	0.2
161.04492	2.4
162.23376	0.2
163.11232	0.5
169.77428	0.2
179.05589	0.7
181.12296	0.3
189.12866	0.3
195.06497	0.2
195.13879	0.5
224.83340	0.2
225.14951	1.3
225.83714	0.2
280.52686	0.2
369.19171	2.6
387.20285	3.7
387.24985	0.3
388.20679	0.4
429.17340	1.1
430.18069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03326	5.7
59.01252	100.0
60.01589	0.8
69.03325	1.2
69.32781	2.7
69.33215	2.1
71.01259	16.7
72.99203	0.7
73.02821	10.1
83.01260	3.4
83.92444	0.5
85.02814	5.6
87.00758	1.1
89.02323	4.6
95.01281	1.3
97.02831	0.9
97.06490	0.6
98.03649	0.6
99.00791	1.4
101.02325	12.3
102.08729	0.5
113.02332	7.4
115.63306	0.5
117.78548	0.5
119.03436	1.7
121.06534	0.8
123.08107	0.9
125.02393	1.2
137.09654	2.1
141.09148	2.4
143.03438	1.0
151.11234	0.6
159.02951	0.6
161.04445	5.3
161.13266	1.0
181.12325	0.6
189.12787	1.3
192.11491	2.6
203.05562	0.6
205.12346	1.1
207.13855	13.8
208.14247	0.7
223.13396	1.3
225.14903	4.1
249.05995	0.5
332.84451	0.5
369.19177	6.0
385.18918	1.2
387.20267	8.9
388.20663	1.0
429.17194	0.9
429.22049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	1.2
70.09067	5.0
128.78622	1.0
144.87367	0.9
217.60118	1.1
246.30318	1.0
251.78755	1.0
295.22778	7.8
340.67130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01591	1.2
61.98720	0.5
71.01284	1.1
71.44770	1.1
85.02805	0.7
99.92456	2.5
101.02354	0.4
115.91982	3.0
116.92744	4.3
125.02338	0.7
152.01118	0.9
178.99890	1.4
256.04660	0.5
267.07153	0.6
342.17453	0.5
375.12985	0.8
393.13770	1.3
401.99634	0.5
416.27835	0.5
429.10620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20892	0.2
54.76527	0.2
55.01760	0.5
57.03331	1.1
58.00471	0.5
59.01254	100.0
60.01585	1.1
64.43541	0.2
69.03320	0.2
71.01257	13.1
71.04898	0.2
72.99181	0.8
73.02825	4.2
75.00755	0.4
81.03367	0.2
83.01269	1.5
85.02827	4.9
87.00755	1.0
89.02323	8.1
93.03316	1.1
95.01263	1.6
97.02869	0.5
99.00729	0.5
101.02325	9.3
113.02336	8.6
119.03389	3.6
123.08096	0.4
125.02390	0.6
131.03380	0.3
135.08081	0.3
137.02354	1.8
137.09625	0.5
140.89967	0.3
143.03445	1.0
149.04495	0.5
159.02901	0.3
161.04475	2.5
161.13313	0.7
163.11273	0.3
179.05615	1.0
181.12292	0.4
189.12820	0.6
195.13892	1.1
205.12277	2.8
206.12659	0.3
207.13873	0.3
223.13359	0.3
225.14929	3.9
226.15276	0.3
227.03389	0.5
255.03079	0.4
267.07501	0.4
272.47455	0.3
284.03317	0.7
309.13092	0.2
369.10016	0.3
369.14658	0.5
369.19174	4.7
370.19656	0.7
387.20224	9.3
388.20795	1.0
429.16690	0.3
429.22412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60025	0.5
57.03330	0.7
59.01254	100.0
60.01582	1.3
69.84303	1.1
69.84707	2.1
71.01259	10.4
72.37675	0.6
73.02818	4.9
83.01279	1.8
85.02827	3.0
87.00762	0.6
89.02329	4.6
89.39436	0.5
92.06656	0.5
95.01274	0.9
99.00755	1.2
101.02330	5.8
113.02316	6.2
119.03422	1.2
121.02847	11.0
122.03232	0.6
125.02293	0.7
143.03442	0.7
151.00294	1.0
161.04533	1.9
163.11238	1.1
178.99850	0.9
179.07088	0.7
184.30597	0.6
210.92032	0.7
225.14966	0.7
227.03499	0.7
255.03093	1.5
267.07135	0.9
271.02606	2.5
299.02100	1.9
300.02747	4.7
301.03528	1.3
369.19360	2.3
387.16312	1.1
387.20569	2.0
429.12018	0.9
429.17435	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49343	0.5
55.01772	0.6
57.03321	3.8
58.00460	0.9
59.01253	100.0
60.01589	0.7
66.38375	0.5
69.03336	0.8
69.40282	0.5
70.22512	2.2
71.01254	18.8
71.04887	0.6
72.99178	1.2
73.02819	8.2
75.00777	0.6
83.01266	4.8
83.04919	0.8
85.02834	5.5
85.06458	0.9
85.99957	0.8
87.00750	5.8
87.01192	0.5
89.02320	10.3
89.02836	0.8
95.01277	1.2
95.04928	0.8
97.02843	0.8
97.06501	2.4
99.00780	1.0
99.04419	1.4
101.02322	13.3
104.16881	0.5
107.04921	7.1
113.02335	7.5
119.03407	3.2
120.05711	1.0
121.06467	0.6
123.08048	0.6
125.02352	0.6
127.03853	0.5
131.03450	0.7
135.04449	1.9
137.09656	1.7
141.05511	0.7
143.03479	1.2
147.08183	0.5
151.11179	1.2
152.04709	0.5
159.08112	0.7
161.04428	2.7
161.09665	6.1
161.13344	1.7
163.11201	7.6
169.10303	0.5
179.05571	1.4
181.12308	1.3
187.11197	8.3
188.07974	0.7
189.09143	3.3
195.13834	2.9
197.15411	1.0
203.10806	1.6
205.12285	3.7
207.10292	1.9
207.13913	2.2
223.13354	38.4
224.13780	2.4
225.14911	17.9
225.17090	0.8
226.15317	1.1
229.12418	0.8
249.08983	0.6
249.11256	2.6
267.12372	28.6
268.12817	2.0
291.12491	0.6
309.13538	0.9
369.19189	5.2
387.20255	12.4
387.25046	0.9
388.20804	1.0
429.16772	0.9
429.21936	7.8
430.21658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
69.99374	0.5
69.99776	0.4
77.99849	0.2
94.31608	0.2
95.40389	0.2
99.92460	4.6
99.93079	0.4
100.92564	0.4
100.93236	2.4
115.91965	100.0
116.91970	5.2
116.92754	5.8
117.92757	0.3
120.42712	0.2
130.94287	0.3
132.92265	1.3
145.24689	0.2
167.68967	0.2
167.89853	0.2
171.39105	0.2
172.95398	5.7
173.95598	0.3
199.36427	0.2
207.35712	0.2
255.23283	0.9
299.74796	0.2
355.15958	0.6
371.15347	0.5
381.17413	1.0
429.19577	3.5
429.25739	0.4
430.19803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.1
59.01252	100.0
60.01586	1.2
62.65041	1.0
70.41954	3.8
71.01255	15.7
72.99158	1.1
73.02819	2.5
75.00771	0.9
79.05410	0.9
83.01266	3.7
83.04901	1.6
83.31689	1.1
85.02834	4.8
87.00759	5.5
89.02325	12.6
97.06461	5.0
101.02331	7.0
107.04913	13.2
113.02324	7.0
119.03421	3.3
120.05693	3.1
135.04393	3.2
137.28333	0.9
141.05493	1.8
148.23354	1.0
159.07983	1.3
160.90344	0.9
161.04430	1.3
161.09619	10.9
161.13277	3.6
162.31287	0.9
163.11235	2.3
171.98192	0.9
187.11237	14.7
188.11536	1.1
189.09161	4.1
203.10692	2.0
205.12267	6.8
207.10219	3.8
223.13359	70.0
224.13762	3.8
249.11212	4.4
267.12366	59.7
268.12711	6.0
349.75217	1.2
369.15591	1.3
415.74881	0.9
429.17688	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01250	12.8
69.03308	0.8
71.01253	6.4
85.02865	1.3
89.02324	6.3
97.06463	0.8
101.02308	2.4
107.04940	3.0
113.02354	2.9
119.03366	2.0
121.06492	0.7
125.09641	0.6
127.11163	0.7
139.07574	1.1
143.03497	0.9
151.00336	0.5
151.11223	0.8
152.01050	0.9
153.42487	0.6
163.11188	2.4
169.81461	0.6
177.12770	5.8
178.99800	1.6
179.05621	0.7
179.14342	40.5
180.14706	1.9
184.33199	0.6
189.58273	0.6
201.12845	0.9
203.14326	7.0
205.12366	3.6
207.13928	0.8
211.82817	0.6
223.13350	76.4
224.13643	4.6
229.12219	1.4
229.69046	0.8
230.95262	0.6
247.13396	5.9
249.11333	3.3
267.12369	100.0
268.12677	7.1
281.13901	1.2
309.13504	5.7
355.75250	0.6
364.08585	0.7
373.70087	0.7
429.11823	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23120	0.5
58.00465	0.8
59.01254	100.0
60.01604	0.7
60.06097	0.5
65.34065	0.5
69.03352	0.7
71.01257	14.5
72.99165	0.7
73.02820	15.5
83.01249	3.9
85.02842	2.4
87.00797	0.8
89.02319	5.4
93.03332	5.9
95.04910	0.5
99.00784	0.9
101.02325	11.6
102.02631	0.6
113.02330	4.5
119.03372	1.1
123.61187	0.5
127.52102	0.6
161.04497	2.0
163.11143	2.8
196.36650	0.5
207.10211	9.4
209.92906	0.5
230.16376	0.6
254.81900	0.5
308.73972	0.5
336.57715	0.6
369.15588	2.1
387.16611	7.6
429.17673	43.3
430.18045	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98469	1.3
57.03316	4.9
59.01251	100.0
60.01597	1.4
63.15938	1.1
64.18274	1.2
71.01257	16.3
71.44580	2.7
73.02827	3.0
83.01266	3.5
83.04932	1.4
85.02843	5.8
87.00757	3.3
89.02338	7.0
91.54854	1.1
93.03339	3.3
93.14916	1.2
95.01257	2.3
97.06476	1.7
99.00842	1.2
101.02335	8.3
107.04910	7.0
113.02334	7.1
119.03381	3.7
120.05705	2.7
135.04439	2.9
136.01552	2.8
137.02333	5.1
161.04489	1.9
161.09599	4.2
161.13263	2.7
163.11212	2.5
187.11227	8.1
189.09100	2.2
203.10674	2.2
205.12279	3.4
207.10185	2.2
207.13719	2.2
210.00754	1.2
223.13356	48.2
224.13676	3.0
227.03474	5.8
249.11337	3.6
250.37967	1.5
255.02962	10.3
256.03494	1.3
267.12378	33.7
268.12646	3.0
284.03314	8.0
285.03726	2.3
387.20175	3.0
411.12781	2.5
429.11044	10.6
429.17291	3.4
429.61624	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85183	0.8
57.03326	5.0
59.01253	100.0
71.01258	15.8
71.14033	2.3
72.99191	1.4
73.02830	5.2
75.00743	1.7
81.82156	1.0
83.01273	3.1
84.92089	0.9
85.02824	4.7
87.00772	4.9
89.02308	7.9
95.01255	1.1
97.06477	2.9
99.00742	2.1
99.04424	1.3
101.02306	9.7
107.04933	4.7
109.06478	1.2
113.02305	8.0
119.03414	2.4
125.53249	1.0
135.04471	1.6
137.09659	2.2
141.09163	2.5
141.72011	1.0
153.09146	1.9
161.04454	3.3
161.09666	3.0
161.13260	3.0
187.11240	6.3
189.09174	1.7
192.11374	1.4
203.10793	1.6
205.12210	5.4
207.10216	3.1
207.13847	10.3
223.13351	43.1
224.13705	3.3
225.14903	9.1
229.12187	1.0
249.06213	1.6
249.11334	4.0
267.07367	2.9
267.12390	43.6
267.15344	2.1
268.12671	3.2
309.13455	1.2
339.14636	2.4
369.15372	2.0
369.19418	1.9
387.20258	3.0
429.17728	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.2
57.03323	3.0
59.01251	16.5
71.01258	22.5
71.06776	2.1
71.07136	1.2
72.99189	3.8
75.00755	13.0
83.01237	1.2
85.02829	22.6
87.00747	7.9
89.02325	8.3
91.03863	1.1
95.01263	4.3
99.00758	8.4
101.02392	1.2
103.00251	2.9
109.02847	1.2
113.02337	34.7
115.00197	1.5
117.01807	2.2
129.01804	2.2
133.02872	9.4
134.03592	2.3
135.04425	26.4
157.01283	1.1
161.01070	2.2
161.02359	30.4
168.24586	0.9
175.02335	1.1
179.03410	10.3
207.04956	2.4
249.06099	5.4
253.07161	3.3
267.07205	100.0
268.07565	4.2
367.10242	1.2
411.09598	2.0
429.10355	29.6
430.10510	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88890	0.4
57.03326	2.0
59.00951	0.8
59.01253	14.5
65.35846	0.5
67.01794	0.6
68.80370	0.5
68.99667	0.5
69.03322	0.7
69.33780	0.5
71.01254	20.9
71.30554	0.5
71.30888	0.5
72.99171	2.7
73.02844	1.6
75.00743	9.5
83.01301	0.5
85.02826	19.7
86.03157	0.6
87.00756	7.9
89.02323	7.2
91.03916	1.1
95.01249	3.6
99.00755	5.8
101.02322	1.4
103.00229	2.5
109.02899	0.8
113.02332	26.4
114.02656	0.9
115.00275	1.1
117.01827	2.4
129.01831	1.8
132.02072	0.7
133.02853	8.0
134.03625	1.5
135.04416	19.0
136.04716	1.0
147.77403	0.5
157.01302	0.9
161.02354	27.7
162.02615	1.4
163.11299	1.2
165.20715	0.6
168.76871	0.6
169.74983	0.5
175.02394	1.5
179.03400	8.7
182.15157	0.5
207.05019	1.1
240.17328	0.5
249.06146	6.0
253.07152	2.3
255.02779	0.7
267.07202	100.0
268.07541	4.7
353.11206	0.6
355.67648	0.6
411.09152	1.1
429.10330	31.8
429.16513	1.2
430.10794	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03315	1.4
59.01255	45.4
61.29939	0.6
68.99718	0.9
69.03333	1.3
69.80181	1.7
69.80593	3.4
70.53285	0.6
71.01259	29.2
72.99206	3.9
73.02825	6.3
75.00354	1.0
75.00751	11.7
75.01163	0.6
77.58408	0.6
81.03304	0.8
83.01267	2.5
85.02827	22.9
87.00750	8.9
89.02320	8.3
93.03349	3.4
95.01271	5.4
96.95886	3.0
99.00751	7.2
101.02331	6.0
101.99764	0.7
103.00237	3.8
107.04894	3.5
109.02788	0.9
113.02338	32.0
114.02704	0.9
115.00291	0.9
117.01803	2.1
117.03308	0.8
119.04871	0.7
121.02857	0.8
123.04413	0.9
127.72157	0.6
129.01808	2.1
131.03403	1.2
133.02887	7.0
134.03687	1.6
135.04433	20.4
136.04762	1.0
137.02338	2.0
141.06308	0.7
161.02364	23.1
162.02817	0.7
163.11186	4.6
173.81693	0.7
175.02429	1.9
177.01715	0.7
179.03438	14.9
180.03798	0.9
197.55339	0.7
207.10226	4.2
227.03525	2.6
249.06149	21.5
250.06485	1.1
253.07213	2.9
255.03064	2.9
267.07217	100.0
268.07611	4.1
284.03320	2.9
369.15518	1.4
387.16800	4.1
429.10468	37.6
429.17590	22.0
429.22357	1.2
429.61569	2.1
430.10733	2.0
430.18036	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23421	1.1
57.03329	2.7
58.00481	1.3
59.01251	54.6
61.83808	0.9
68.09217	0.9
68.99686	3.0
69.03320	1.7
71.01257	40.6
72.99182	8.2
73.02814	6.4
73.78664	1.0
75.00750	21.8
75.93362	1.0
76.55799	0.9
81.03335	1.3
83.01262	2.9
85.02827	31.3
86.73450	1.2
87.00749	12.6
89.02320	13.5
91.03925	1.1
93.03332	1.2
95.01267	6.8
96.95893	3.6
97.02837	1.0
98.95512	1.2
99.00766	10.2
101.02321	5.8
103.00273	2.4
106.04138	2.2
107.04926	6.0
108.02068	2.4
109.02840	10.9
111.00778	1.2
112.01527	1.1
113.02334	41.5
114.02705	1.3
115.00259	2.3
117.01833	2.6
117.03339	1.6
119.03381	1.5
121.02825	2.2
123.04405	1.6
129.01810	3.0
131.03444	1.1
131.89606	1.0
133.02890	8.4
134.03586	2.3
135.04427	23.1
161.02361	26.2
162.02779	1.7
163.11172	3.9
175.02377	1.6
179.03415	25.1
181.04984	1.0
207.05020	1.9
207.10159	4.3
249.06137	38.1
250.06468	2.6
253.07193	2.6
267.07205	100.0
268.07556	4.0
297.93332	1.0
303.51373	1.2
330.53690	1.1
369.15485	2.0
387.16321	2.1
429.10342	45.8
429.17572	18.6
430.10568	5.1
430.17352	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18459	1.7
59.01254	100.0
72.68697	1.5
96.95908	3.8
98.20639	4.0
104.28545	1.8
194.65366	1.8
242.25764	1.7
293.21201	6.4
387.17084	1.8
417.95905	1.9
443.94067	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03328	3.5
58.00478	1.5
58.65760	0.8
59.01252	83.4
62.31594	0.8
67.01750	0.8
68.99693	1.1
69.03333	1.1
69.65097	5.8
71.01253	38.5
72.99181	3.7
73.02817	13.9
75.00750	11.9
83.01256	4.7
85.02820	21.4
87.00753	9.6
89.02318	10.1
93.03342	4.1
95.01254	5.6
96.95887	1.8
97.02850	1.0
98.19797	1.5
99.00747	9.2
101.02319	11.0
102.85875	0.9
103.00235	3.0
108.02040	1.6
109.02828	1.4
111.00742	1.5
113.02331	36.2
114.02673	1.3
117.01841	2.1
117.03286	1.0
119.03359	1.2
121.02831	1.1
129.01788	1.3
131.03392	1.1
133.02875	7.3
134.03583	1.9
135.04425	21.7
135.08017	0.9
136.01567	3.0
136.04829	1.3
137.02354	4.2
147.08112	1.0
157.01363	1.5
161.01070	1.6
161.02351	24.2
161.04388	1.5
161.05994	0.9
162.02783	0.9
163.03937	1.3
163.11198	19.0
168.26865	0.8
175.02432	2.0
179.03459	9.3
179.07077	1.7
205.07166	1.3
207.04916	1.9
207.10208	5.3
227.03528	6.1
249.06104	9.7
253.07095	2.0
255.02945	10.9
256.03540	2.3
267.07202	100.0
268.07553	4.8
283.02603	0.9
284.03210	11.1
285.03802	2.3
311.14008	0.9
318.65897	0.9
369.15622	5.5
387.16571	7.8
411.12952	3.4
429.10541	37.9
429.17615	47.6
429.61191	2.8
430.10971	3.5
430.18021	5.9
436.05167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60513	0.8
59.01253	100.0
69.35240	8.6
71.01256	11.5
73.02824	3.2
83.01239	1.2
85.02833	5.8
86.18977	0.8
89.02316	2.4
95.01274	1.8
96.95885	1.4
99.00749	1.0
100.88614	0.8
101.02319	4.6
112.21889	0.9
113.02318	7.3
116.40268	0.8
128.20883	0.8
135.74049	0.8
136.05211	1.8
138.06747	3.1
139.07532	1.7
139.75830	0.8
151.07561	3.9
152.08327	13.5
153.09135	23.4
154.09436	0.8
159.74106	0.9
161.04457	2.2
163.11124	0.9
166.48164	0.9
205.12279	13.6
206.12799	0.9
223.13272	2.6
367.17682	6.6
385.18683	1.7
427.19928	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79910	0.3
55.01761	0.6
57.03330	1.0
57.53528	0.3
58.00467	0.5
59.01252	100.0
60.01589	1.3
69.03342	0.3
70.21476	1.6
71.01255	16.3
72.99197	0.9
73.02821	5.9
73.03199	0.6
75.00764	0.4
83.01252	2.0
85.02822	5.6
87.00760	3.4
89.02316	8.4
95.01281	1.3
95.83852	0.3
96.95889	4.6
98.20493	0.4
98.95490	0.8
99.00777	0.6
101.02325	8.6
106.63984	0.3
113.02328	9.6
113.03056	0.6
116.81548	0.3
119.03394	3.0
120.01162	0.4
127.03883	0.3
129.01891	0.7
131.03394	0.6
133.06425	0.4
143.03444	1.0
151.87715	0.4
153.09151	1.2
159.03072	0.3
161.04460	3.0
165.09145	0.5
173.00870	0.3
179.05592	0.9
187.11418	0.4
223.13417	0.6
229.72218	0.3
237.11412	0.9
247.13406	0.7
273.06192	0.4
297.13422	2.7
315.14505	3.3
327.14639	1.3
340.38123	0.3
349.16696	1.2
357.15671	0.4
367.17361	1.6
385.18567	0.4
427.20047	3.7
428.20261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01752	2.4
57.03327	5.4
58.00460	2.0
59.01253	93.7
68.99702	1.0
71.01257	51.8
72.99185	3.4
73.02824	21.1
75.00753	1.8
83.01263	8.2
83.04890	1.7
85.02335	1.6
85.02826	17.0
85.03300	1.8
87.00748	6.8
87.04389	2.5
89.02322	21.8
92.65401	1.0
95.01264	3.4
95.04923	0.9
96.95891	5.9
97.06451	1.5
98.19738	1.5
99.00742	3.6
101.02325	34.5
102.02657	1.0
109.02794	1.4
111.04415	9.8
113.02338	17.3
116.87519	0.9
119.03398	9.4
120.01147	1.2
121.06516	1.1
125.02369	1.6
131.03363	1.8
135.08069	1.0
137.09622	2.8
138.06763	1.3
143.03391	2.1
147.08080	2.0
149.04424	1.1
151.07599	1.7
153.09111	3.2
155.08243	4.4
159.02919	1.4
161.04517	5.2
165.09169	1.6
185.13263	2.3
186.13301	0.9
187.11162	1.9
203.14354	13.2
205.12306	3.6
221.15434	2.9
223.13443	1.0
225.11067	1.1
227.07079	2.3
227.13985	1.4
247.13293	1.3
249.06165	1.1
258.06000	1.0
265.14444	1.3
292.15259	0.9
423.17303	0.9
427.19748	100.0
428.20065	13.5
428.26465	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01586	1.1
70.17025	0.9
70.17420	0.9
71.01251	0.7
73.25430	0.4
75.00737	0.7
82.96999	0.4
96.95924	0.4
100.41010	0.3
113.02353	0.7
116.64954	0.4
134.04668	0.9
148.05202	7.8
154.21951	0.4
163.07562	8.2
164.89479	0.4
167.03441	0.5
209.04663	0.5
219.24347	0.5
241.15335	0.4
262.59225	0.4
273.65472	0.4
307.11954	0.5
337.50000	0.4
377.96057	0.5
398.64038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46979	0.7
57.03327	100.0
58.03672	1.5
59.01252	18.7
69.33672	1.6
69.34084	6.7
71.01266	3.3
73.02825	2.0
80.73336	0.8
81.03330	11.2
83.01233	1.0
83.20863	0.8
85.02825	1.6
87.00774	0.9
89.02338	1.1
89.55267	0.7
96.95909	4.1
98.19792	1.4
98.95496	1.9
99.04398	30.7
100.04736	1.1
101.02328	14.7
113.02350	1.7
120.05696	0.8
120.61052	0.9
125.02376	1.6
149.06149	0.8
151.03917	2.3
153.05475	1.1
153.09129	6.7
161.02359	11.4
165.09123	10.1
169.71356	0.8
176.04698	8.6
179.03421	20.7
180.03786	1.3
187.02396	0.8
191.07117	2.8
194.05785	21.0
195.06172	1.2
205.12309	1.5
209.08136	45.8
210.08481	2.6
297.13510	1.5
315.14484	2.9
326.71576	0.9
357.15479	3.7
358.16031	1.0
369.15381	1.8
409.18307	1.0
427.19427	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03327	100.0
58.03653	1.8
59.01254	78.7
60.01604	1.4
63.37791	1.1
68.46311	1.3
69.39851	10.8
71.01257	20.7
73.02815	10.0
75.00743	2.3
77.05479	1.2
78.49988	1.2
81.03326	9.4
83.01266	3.8
85.02839	7.6
87.00760	3.3
88.07298	1.3
89.02323	3.6
91.68961	1.6
95.01293	1.7
96.95882	3.1
99.00769	3.8
99.04397	27.7
101.02327	24.9
104.13616	1.3
105.03345	1.4
109.06466	1.5
112.00292	1.6
113.02315	7.7
120.05701	3.2
123.08045	1.7
125.02360	2.5
135.08058	3.6
136.05217	1.8
137.09572	1.4
139.62654	1.1
143.03448	1.6
149.02301	1.8
151.03900	1.5
151.07564	2.8
152.04697	3.2
153.07877	2.0
153.09123	40.3
161.02374	8.8
161.04475	5.1
164.04675	3.6
165.09131	57.4
166.09496	3.2
171.98112	1.4
176.04709	6.2
179.03442	17.1
181.04999	2.5
181.33469	1.2
191.07063	3.0
194.05783	18.8
205.12277	8.2
207.10130	1.5
209.08147	32.3
209.11769	1.9
210.08478	2.0
225.11324	1.6
248.13750	1.2
248.60104	1.3
259.04581	1.3
285.30630	1.3
297.13400	7.2
315.14569	14.5
316.14929	2.1
327.14410	5.3
357.15540	32.8
358.15994	3.2
367.17575	2.5
369.15610	9.1
371.83713	1.3
409.18619	3.0
427.19748	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61144	1.2
55.71630	1.0
59.01252	100.0
71.01251	3.4
71.57182	1.8
85.02830	1.8
97.74187	1.3
103.38706	1.2
111.42864	1.2
145.08762	1.0
161.04451	1.6
407.82513	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	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66919	0.7
53.80827	0.5
54.68752	0.6
55.46148	0.7
59.01252	100.0
60.01591	0.8
69.59568	4.3
71.01264	0.8
75.62814	0.6
84.75246	0.6
93.43028	0.6
102.82488	0.6
102.99333	0.8
129.59558	0.6
152.70743	0.7
153.41660	0.7
212.45366	0.6
291.19821	3.6
294.82895	0.6
309.20798	1.8
426.32587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56952	1.6
57.02187	1.6
59.01252	100.0
89.92429	2.1
90.04642	1.7
90.93203	2.0
98.19785	4.8
113.02294	1.9
158.46471	2.1
194.25868	1.7
225.38631	1.7
291.19592	4.6
309.20840	3.3
381.24103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.7
57.03319	7.1
59.01247	31.5
64.40219	1.8
67.01765	3.6
68.99688	5.7
69.03339	2.0
69.77721	11.2
71.01254	32.8
72.99169	7.2
73.02807	3.1
75.00739	7.2
78.95741	2.1
79.95609	2.5
83.01251	3.8
85.02821	32.8
87.00759	13.2
89.02336	9.9
90.46344	1.8
91.03888	4.1
93.03323	5.3
95.01257	5.9
95.04932	3.2
96.66993	1.7
96.95885	74.8
98.19884	3.7
99.00770	6.5
101.02301	5.2
105.03321	8.5
111.00754	3.6
113.02332	39.6
117.03322	8.8
119.04915	93.7
120.05231	4.1
121.02824	7.2
123.04367	4.0
129.01814	4.2
132.02049	2.5
133.02852	61.8
134.03186	2.5
135.04388	5.3
137.02316	2.8
139.00288	2.1
139.03888	5.7
139.07532	3.3
144.32071	2.4
145.02852	37.4
149.02348	43.5
151.03902	4.6
152.01057	7.1
161.05946	3.0
163.03917	100.0
164.04716	21.4
169.04907	2.4
177.01881	12.1
177.05458	4.1
179.07039	5.8
193.01357	13.8
203.06985	5.0
205.07108	3.1
205.12315	6.4
208.03720	29.3
223.06055	59.4
224.06407	3.6
231.05136	3.0
232.03638	7.5
233.04155	2.9
237.07635	4.8
247.06163	6.2
249.06146	22.1
251.05504	8.8
253.07280	2.7
263.07632	18.9
281.08759	67.2
282.09027	4.0
291.07224	7.1
351.10690	5.5
365.08640	4.2
427.07663	3.9
427.12460	25.8
427.19995	39.6
428.13300	2.8
428.19287	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	425.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47591	0.6
59.01246	1.8
67.48831	0.6
71.01257	36.7
72.94597	0.9
72.99185	9.7
78.95812	0.7
113.09602	1.6
115.00263	16.7
133.01324	6.3
134.04692	1.0
139.11156	0.9
141.09114	1.4
146.04640	1.9
162.49712	0.8
165.12776	2.3
167.14284	1.5
179.34065	0.8
181.12250	2.1
183.13852	1.1
193.12213	1.1
195.13815	1.4
211.13347	1.4
221.15450	2.5
222.49356	0.8
240.13644	0.9
247.20744	3.5
273.18655	1.4
281.21304	0.8
291.19666	25.9
292.20029	2.7
309.20709	100.0
310.21039	10.8
319.22684	0.9
363.21646	0.9
407.20779	4.0
426.25146	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06005	1.0
72.23670	0.4
73.75701	0.3
77.90509	0.3
78.95777	12.6
87.60175	0.3
104.97383	0.5
110.97645	0.5
110.98415	8.7
127.71050	0.4
138.58635	0.4
167.01065	11.9
171.70837	0.4
185.02071	2.3
232.86971	0.4
255.23276	100.0
256.23633	10.1
366.12732	0.5
423.25180	15.4
424.25638	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	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
59.01250	56.6
66.09588	3.4
69.24908	4.0
71.01252	29.2
71.57652	6.0
71.58014	5.7
73.02814	12.2
77.72411	3.4
78.95769	4.9
85.02837	13.0
87.00764	10.7
89.02319	7.6
96.95888	57.1
97.02860	5.2
99.00738	5.8
101.02319	18.3
108.05696	4.8
109.02875	5.6
111.04401	6.6
113.02331	11.6
113.05968	8.2
115.00273	17.1
122.03642	5.7
123.08062	8.7
125.05994	9.7
128.38980	3.7
136.05229	10.7
136.07574	100.0
137.05992	5.0
138.06784	9.5
139.07542	22.0
141.40053	3.9
148.05211	4.4
149.06004	4.3
151.07564	49.3
152.04613	4.6
152.08347	20.6
153.09109	10.2
161.09613	6.5
163.07619	6.2
171.06409	3.8
174.01561	4.5
175.02403	31.8
178.08650	57.2
201.12891	21.9
202.74083	4.1
203.10738	9.5
204.11435	25.6
219.13835	48.2
245.11879	7.2
248.48729	3.6
263.12845	59.6
264.13123	5.6
270.81085	3.7
280.38010	3.7
287.12994	4.7
309.04526	4.3
383.18195	8.8
386.58691	4.8
425.13538	4.1
425.18634	26.1
425.63269	4.2
426.19165	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34844	0.6
78.95779	11.2
104.97364	0.6
110.98415	8.5
167.01064	10.4
174.79030	0.3
182.36201	0.3
185.02145	2.3
219.13406	0.3
245.17719	0.3
252.71756	0.4
255.23274	100.0
256.23630	7.8
350.51825	0.3
354.68454	0.3
423.25186	12.8
424.25455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56301	0.4
60.58518	0.4
64.89061	0.4
67.11443	0.4
78.95778	9.7
100.14162	0.4
101.59981	0.4
110.98409	6.8
167.01071	9.6
185.02121	2.1
185.97412	0.5
255.23271	100.0
256.23611	9.9
423.25143	12.0
424.25568	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55636	0.4
60.76316	0.4
61.92273	0.3
69.87077	0.9
69.87484	1.8
74.95798	0.4
78.95775	11.6
110.98419	7.9
163.37669	0.4
167.01053	8.7
185.02130	1.9
206.94780	0.4
221.57536	0.4
238.97775	0.4
250.87343	0.4
255.23268	100.0
256.23624	8.0
423.25168	13.0
424.25577	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94631	0.3
59.10885	0.2
62.19341	0.3
62.96269	0.3
69.51880	0.7
69.52287	1.7
75.13001	0.3
78.95780	12.3
81.42097	0.3
94.98936	0.5
96.09674	0.3
97.28127	0.3
104.97409	0.4
110.98414	9.0
137.00018	0.4
167.01064	10.1
185.02145	2.8
185.21768	0.3
186.02522	0.6
187.02707	0.4
255.23274	100.0
256.23618	8.3
280.72079	0.3
423.25146	11.7
424.25604	1.3
435.87857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
57.60354	0.4
59.01250	100.0
60.01585	1.3
60.95646	0.5
66.06377	0.4
68.49252	0.4
71.01242	2.2
71.57893	0.8
73.02818	0.8
75.00739	0.6
78.95785	0.9
83.01254	0.6
85.02825	1.0
89.02348	1.0
93.03379	0.7
96.95882	3.2
99.00766	0.6
101.02335	1.3
110.23831	0.5
113.02351	1.4
123.96723	0.5
129.01801	0.5
135.02893	0.6
161.04523	0.5
175.03946	0.7
187.11343	0.6
205.12341	0.8
244.77318	0.5
252.79546	0.5
395.99634	0.5
423.16895	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94121	1.8
53.62902	1.8
55.01757	7.8
57.03320	9.2
58.00447	2.4
59.01254	57.4
68.77503	1.6
69.49590	16.5
71.01256	69.8
72.99182	5.2
73.02441	3.0
73.02822	38.2
75.00744	3.1
81.03328	2.4
83.01263	14.5
85.02820	35.5
85.72961	1.8
85.99955	2.7
87.00767	4.6
89.02313	17.6
95.01279	4.9
96.95892	4.1
97.02826	3.7
99.00758	18.6
101.02325	66.8
103.21964	1.8
111.00804	3.3
113.02332	25.8
125.02321	2.6
129.01833	4.0
131.03421	1.8
143.03407	3.7
149.02328	2.0
154.99744	2.6
159.02892	5.5
161.04489	24.9
172.43980	2.1
225.14627	1.9
255.23138	2.4
291.18155	86.0
292.18472	6.6
420.07498	2.0
423.22351	100.0
424.22858	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
57.60354	0.4
59.01250	100.0
60.01585	1.3
60.95646	0.5
66.06377	0.4
68.49252	0.4
71.01242	2.2
71.57893	0.8
73.02818	0.8
75.00739	0.6
78.95785	0.9
83.01254	0.6
85.02825	1.0
89.02348	1.0
93.03379	0.7
96.95882	3.2
99.00766	0.6
101.02335	1.3
110.23831	0.5
113.02351	1.4
123.96723	0.5
129.01801	0.5
135.02893	0.6
161.04523	0.5
175.03946	0.7
187.11343	0.6
205.12341	0.8
244.77318	0.5
252.79546	0.5
395.99634	0.5
423.16895	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	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93824	2.4
57.03317	2.9
59.01252	55.3
69.79177	19.2
70.02837	4.3
71.01260	30.0
72.99188	8.6
73.02804	7.2
75.00745	19.0
85.02824	31.3
87.00747	7.9
89.02319	12.2
95.01268	6.9
96.00765	3.7
96.95887	9.0
99.00751	12.2
101.02339	9.7
101.76723	3.1
113.02334	26.6
114.01846	11.4
114.02587	3.6
119.03396	4.2
125.09605	4.8
127.11221	6.8
157.19614	3.0
161.04491	5.8
173.11740	98.4
173.13152	4.9
174.12094	5.2
175.02419	3.5
187.09717	3.8
229.95029	2.6
231.05046	3.4
249.06163	25.3
263.41571	3.1
336.22974	5.9
363.16370	3.3
379.23639	8.4
423.18723	100.0
424.12695	3.7
424.18866	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03315	2.4
58.02836	1.0
59.01251	100.0
59.70602	1.0
60.01574	1.5
70.02852	2.9
70.06492	1.2
70.37061	2.7
71.01255	25.7
72.99174	1.9
73.02821	23.3
73.33122	0.7
83.01263	6.4
85.02828	15.2
87.00776	2.4
89.02324	5.8
95.01284	1.9
96.00822	2.3
96.14174	1.1
96.95893	5.6
97.02821	1.5
97.03953	1.2
98.19974	1.3
99.00767	8.6
101.02325	26.9
111.00754	1.2
113.02330	11.7
114.01871	5.0
125.02328	1.9
131.03394	2.7
143.03445	2.1
159.02892	1.6
161.04463	7.9
183.10164	1.8
187.09691	1.3
231.12343	1.8
233.04489	1.1
249.13409	32.7
250.13870	1.4
270.62579	1.0
291.14487	2.4
291.36288	1.0
308.19809	3.8
319.21002	0.8
336.22897	4.1
363.16565	0.9
379.23492	3.0
381.17657	35.9
382.17932	2.9
423.18539	25.6
424.19000	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00748	7.3
53.11549	6.6
59.01255	100.0
62.45937	5.7
63.57492	6.0
71.01247	34.3
73.02821	12.8
75.00755	10.3
85.02818	13.2
87.00759	6.7
89.02351	9.9
96.86660	6.1
96.95882	12.0
99.00784	8.4
100.97971	7.3
101.02315	14.7
156.23114	6.1
165.01881	6.0
173.11819	9.3
423.18427	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03315	2.4
58.02836	1.0
59.01251	100.0
59.70602	1.0
60.01574	1.5
70.02852	2.9
70.06492	1.2
70.37061	2.7
71.01255	25.7
72.99174	1.9
73.02821	23.3
73.33122	0.7
83.01263	6.4
85.02828	15.2
87.00776	2.4
89.02324	5.8
95.01284	1.9
96.00822	2.3
96.14174	1.1
96.95893	5.6
97.02821	1.5
97.03953	1.2
98.19974	1.3
99.00767	8.6
101.02325	26.9
111.00754	1.2
113.02330	11.7
114.01871	5.0
125.02328	1.9
131.03394	2.7
143.03445	2.1
159.02892	1.6
161.04463	7.9
183.10164	1.8
187.09691	1.3
231.12343	1.8
233.04489	1.1
249.13409	32.7
250.13870	1.4
270.62579	1.0
291.14487	2.4
291.36288	1.0
308.19809	3.8
319.21002	0.8
336.22897	4.1
363.16565	0.9
379.23492	3.0
381.17657	35.9
382.17932	2.9
423.18539	25.6
424.19000	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	423.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40707	0.4
57.03325	30.1
58.03661	0.7
59.01252	43.8
60.01585	0.6
64.43402	0.3
69.03308	0.5
70.02844	0.6
71.01265	1.4
83.04904	1.3
85.02834	0.9
89.02256	0.5
93.03329	0.7
94.04126	0.7
95.04913	2.5
95.05434	0.4
96.95881	2.0
97.02831	5.7
97.06471	1.4
98.19772	0.9
98.36012	0.4
99.04396	23.0
100.04714	0.5
101.02318	5.2
107.04897	1.8
109.02843	3.4
109.06480	4.3
111.04408	3.0
114.01874	0.6
119.08548	1.0
121.06477	3.0
122.03621	6.7
123.04382	1.7
123.08060	0.9
124.05196	14.9
125.02343	1.6
125.06024	4.3
125.68604	0.4
133.06488	4.4
135.04405	1.4
135.08049	0.6
136.05209	0.6
137.05980	9.9
137.09557	0.5
138.03140	0.7
138.06303	0.5
139.07549	100.0
140.07890	3.6
147.08046	2.2
148.05202	0.7
149.05966	2.1
149.09581	0.6
151.07503	0.6
153.05495	0.7
154.99771	0.9
161.04475	8.1
161.05844	0.8
163.07538	1.1
163.11171	1.0
168.06377	0.9
168.07831	19.1
169.08618	10.3
169.10080	0.8
171.08110	1.5
172.08768	0.7
175.11180	1.1
177.09059	0.5
177.12796	1.1
181.08630	4.3
183.13870	0.7
187.07605	0.4
187.11206	11.0
188.11481	0.5
189.09082	0.8
190.09895	2.9
201.33655	0.4
205.12277	24.7
206.12569	2.1
210.08899	1.8
210.14989	0.6
211.09650	3.4
217.12325	1.5
218.95064	0.4
221.11798	1.5
225.05519	0.5
227.12764	0.7
231.10291	0.9
235.13368	5.4
238.18173	0.6
249.11307	7.2
250.11824	0.8
251.12926	0.8
255.87218	0.4
261.11295	0.7
279.12366	48.1
280.12704	4.0
281.18805	0.9
291.19699	1.1
318.24365	1.9
321.13373	1.4
336.25357	3.9
361.16476	0.6
361.25000	0.5
362.23599	0.6
379.26096	1.3
423.16559	4.0
423.25150	0.5
424.17139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	38.8
57.64129	1.4
59.01250	50.7
64.81483	1.3
71.01248	4.3
73.02820	2.6
78.98670	1.5
81.03337	3.0
82.66737	1.7
83.04914	3.1
85.02818	2.0
93.03325	1.6
96.95905	3.8
97.02827	12.9
98.20598	2.7
99.04398	17.4
101.02330	8.2
106.54060	1.4
109.02854	10.3
109.06482	11.0
111.04415	6.8
113.02317	2.0
118.64005	1.7
119.08556	5.0
121.06492	6.2
122.03630	14.2
123.04461	2.0
124.05195	3.6
125.02338	15.7
125.05970	2.6
125.85184	1.7
134.06415	1.5
135.07976	1.6
136.05161	1.6
136.49637	1.4
137.05991	11.6
137.09613	1.9
139.06552	2.4
139.07555	30.1
140.07893	1.8
147.08049	2.9
148.77803	1.3
149.06087	1.9
151.07553	1.3
156.61835	1.7
161.04535	2.4
162.06775	1.6
163.07579	3.4
163.11188	4.7
168.07828	5.0
169.08676	1.4
171.08049	1.9
172.08801	2.6
175.11154	2.0
177.12785	2.5
185.09612	2.0
187.11237	47.3
188.11554	3.6
189.09190	2.2
190.09921	8.8
205.12276	100.0
206.12585	9.4
217.12291	7.9
219.10196	2.0
235.13373	23.0
236.13885	1.9
240.79111	1.6
249.11342	7.2
261.11282	4.7
279.12378	47.8
280.12704	3.6
321.13312	9.2
423.16476	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74973	3.3
59.01255	9.6
71.01246	4.2
71.57809	5.7
86.68391	3.3
86.98398	3.7
88.98669	24.2
89.02345	6.9
109.06544	4.2
121.02824	10.1
125.09630	17.0
159.23315	3.4
171.10179	3.9
173.18242	3.8
207.09946	9.6
211.13382	7.8
215.14328	5.1
219.10051	6.1
233.15462	68.6
234.15810	7.4
249.14905	5.0
251.16530	6.0
327.39383	3.7
331.18494	4.4
375.25369	4.2
385.23788	6.1
403.24908	100.0
404.25320	12.6
421.26569	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74973	3.3
59.01255	9.6
71.01246	4.2
71.57809	5.7
86.68391	3.3
86.98398	3.7
88.98669	24.2
89.02345	6.9
109.06544	4.2
121.02824	10.1
125.09630	17.0
159.23315	3.4
171.10179	3.9
173.18242	3.8
207.09946	9.6
211.13382	7.8
215.14328	5.1
219.10051	6.1
233.15462	68.6
234.15810	7.4
249.14905	5.0
251.16530	6.0
327.39383	3.7
331.18494	4.4
375.25369	4.2
385.23788	6.1
403.24908	100.0
404.25320	12.6
421.26569	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	421.2596
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.31737	0.8
57.03320	1.5
59.01251	5.4
65.03839	1.2
66.86897	0.9
69.03320	1.6
70.63878	2.7
71.01262	1.2
80.02479	0.7
81.03337	1.3
83.04900	9.6
85.06463	2.6
85.81092	0.7
95.04902	1.5
97.06467	2.6
107.08535	0.9
109.06473	2.4
111.08036	4.5
113.09612	1.2
119.04906	1.1
123.08044	2.5
125.09624	13.1
133.06432	0.8
137.09557	1.5
159.08025	0.9
165.36469	0.7
171.10184	26.2
172.10448	1.7
183.13805	0.9
185.11740	1.4
187.14815	1.6
189.16406	2.0
196.24049	0.8
205.15927	3.5
209.11809	3.3
211.13324	8.0
213.14864	1.1
215.14375	2.9
219.10233	1.1
221.15450	3.0
231.13910	3.5
233.15442	36.8
234.15793	3.1
237.14937	0.9
249.14966	14.8
250.15208	1.2
251.16495	2.5
252.13670	1.4
257.17599	2.6
331.26437	2.2
341.24658	3.7
359.26196	1.0
375.25388	2.6
377.27032	2.9
385.23856	7.9
386.24228	1.0
393.26431	2.6
403.24899	69.3
404.25201	10.2
421.25974	100.0
422.26208	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50501	0.5
57.57238	0.5
62.64415	0.5
65.26961	0.5
65.93555	0.5
71.05291	1.0
71.05650	0.9
73.25666	0.5
73.36099	0.4
75.17253	0.5
75.91361	0.4
78.95778	39.5
90.74657	0.4
94.98928	0.6
100.14014	0.7
104.97334	0.8
110.98419	58.6
152.99477	3.1
167.01064	13.3
184.91078	0.5
185.02135	100.0
186.02444	2.2
253.21710	27.7
254.22119	2.5
421.23593	9.6
422.23868	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53066	0.5
63.46805	0.6
78.95773	32.6
87.12555	0.6
98.19793	1.5
110.98414	54.3
152.99464	4.0
167.01109	1.1
185.02136	100.0
186.02480	2.6
253.21709	23.4
254.22130	1.6
271.52924	0.7
379.95660	0.6
405.51920	0.8
421.23676	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50556	0.5
59.01254	100.0
60.01592	0.9
66.76865	0.4
69.53951	3.9
71.01254	4.7
73.02823	3.7
81.88736	0.5
83.01273	1.4
85.02829	1.0
89.02345	1.6
89.41627	0.5
96.95882	0.6
99.00765	0.6
99.58704	0.5
101.02313	4.4
112.64382	0.6
113.02345	2.0
116.53447	0.4
119.03423	0.7
124.76671	0.4
149.04488	0.6
161.04434	0.8
171.10190	0.6
185.11755	2.6
193.69342	0.5
246.32857	0.4
293.50693	0.5
348.45221	0.5
421.16492	0.7
448.38736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.6
57.03320	4.6
58.00474	4.1
59.01253	94.4
60.01579	1.1
64.96404	0.6
67.43731	0.6
69.03323	2.0
71.01256	100.0
71.58597	0.8
71.58988	1.0
72.01588	1.6
72.99196	6.4
73.02820	22.5
75.00742	2.6
83.01270	9.7
85.02828	28.4
85.99971	0.8
87.00759	9.0
89.02322	83.9
90.02639	0.9
95.01276	4.7
96.95910	1.2
97.02819	3.1
99.00761	9.3
101.02326	68.1
102.02618	1.1
104.38786	0.5
111.00772	4.2
113.02335	30.0
114.02683	1.3
115.03906	1.2
119.03388	14.3
125.02363	3.9
129.01828	1.5
131.03404	33.6
132.03729	1.5
138.94824	0.7
143.03400	4.0
149.04469	38.0
150.04793	1.3
159.02887	2.5
161.04478	18.4
179.05536	3.5
191.05553	18.7
192.05809	0.7
233.06647	2.5
262.82440	0.7
289.16589	20.2
290.16788	2.0
421.20761	25.8
422.21057	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	421.208
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01761	6.3
55.02016	0.7
55.58304	0.4
57.03328	6.1
58.00473	4.0
58.27991	0.4
59.01252	74.7
60.01584	1.0
66.17242	0.4
69.03332	3.0
71.01254	100.0
71.04913	0.9
72.01596	1.4
72.99191	4.3
73.02820	26.3
75.00745	1.4
76.28701	0.4
81.03336	1.5
83.01257	13.9
84.02065	0.7
85.02825	34.0
85.99945	0.9
86.03176	0.7
87.00750	3.7
89.02318	46.9
95.01265	4.4
97.02835	4.7
99.00757	11.0
99.01740	0.5
101.02325	58.7
102.02641	0.9
111.00772	7.4
113.02332	26.4
114.02665	0.6
115.03907	1.8
119.03415	1.4
125.02322	8.1
127.03897	0.6
127.11192	1.1
129.01842	1.9
131.03398	25.5
132.03789	0.8
141.01904	0.5
143.03410	4.4
149.04466	10.3
159.02898	4.4
161.04469	22.6
191.05499	3.1
205.03474	0.6
208.75133	0.5
215.05537	0.9
233.06656	6.2
289.16571	30.6
290.16785	2.2
293.08768	2.0
377.19174	0.9
421.14713	1.1
421.20776	26.6
422.21158	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01583	1.0
69.40794	3.0
71.01254	3.5
72.99166	0.5
73.02831	1.7
73.18548	0.4
75.00768	0.5
83.01280	0.8
85.02840	0.6
89.02321	1.6
96.95918	0.6
98.20559	0.9
99.00766	0.5
101.02299	2.2
110.09588	0.4
110.27108	0.4
113.02355	1.4
119.03432	0.5
131.03453	0.4
136.07666	0.5
161.04475	0.8
162.11115	0.4
171.10196	0.8
184.48090	0.4
185.11809	1.3
227.12839	0.6
298.80051	0.4
303.13666	0.4
345.11230	0.6
405.29834	0.4
421.16431	0.7
421.21216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15613	2.3
57.03323	5.3
58.00457	2.6
59.00951	4.3
59.01255	78.5
69.03336	3.3
70.90976	7.4
71.01254	49.5
71.04900	10.0
72.99177	7.5
73.02820	12.5
74.02332	3.2
75.00748	4.3
83.01277	3.2
85.02840	16.9
87.00740	6.0
89.02326	38.3
95.01260	2.9
97.02827	6.2
97.06483	3.2
98.03046	2.3
98.03616	15.4
99.00756	7.1
99.04395	7.3
99.08014	2.8
101.02319	30.9
109.02829	2.9
109.06468	6.0
113.02335	23.5
116.92754	7.0
118.37410	2.3
119.03401	18.5
123.08041	20.1
125.05988	4.6
127.07558	13.9
128.03456	5.6
141.09106	55.7
142.09328	3.1
143.03497	2.9
143.04535	10.2
143.10699	40.1
144.11081	2.6
149.06078	2.7
160.00700	3.6
161.04483	3.8
161.09601	3.6
165.09125	3.5
167.10689	6.5
179.05612	4.6
179.10709	28.5
185.11816	5.2
223.13298	3.2
240.32777	2.6
241.14455	19.3
249.06259	4.6
253.78252	2.6
254.07861	4.3
259.15536	26.3
267.07352	4.3
272.08917	7.0
306.07620	11.0
334.41461	2.8
377.17999	3.0
419.52484	3.1
421.13492	13.1
421.20828	100.0
422.21313	9.9
428.23874	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99701	0.7
57.03335	0.8
59.01253	100.0
60.01580	1.2
71.01247	4.5
73.02830	1.7
74.33006	0.7
85.02837	2.5
85.67735	0.7
89.02329	2.6
96.95918	0.8
99.00812	1.0
101.02320	3.6
113.02332	1.8
113.67498	0.8
121.02864	2.6
130.08737	0.8
133.13461	0.7
134.03522	0.7
152.68015	0.7
161.04497	1.6
165.01904	1.0
171.79620	0.7
185.11845	2.9
241.65437	0.8
301.16672	1.7
319.17657	9.5
320.17926	1.1
361.18808	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
71.58215	90.4
78.52155	47.2
83.13586	41.5
101.61417	47.3
137.52596	47.5
254.92781	44.5
389.82971	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	99.8
61.79988	39.2
75.00690	37.7
88.98695	100.0
98.19763	92.2
139.79930	48.0
142.85622	37.6
407.82309	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01595	1.5
65.68869	0.5
69.93134	2.9
71.01273	0.7
75.00716	0.5
85.02821	0.5
87.85011	0.4
98.19773	0.6
99.00780	0.5
136.88562	0.5
147.54907	0.5
178.39648	0.5
227.16530	0.7
286.17963	0.5
304.19260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59140	1.6
52.54165	1.8
57.03324	7.6
58.02857	3.5
59.01252	53.5
66.00536	2.0
69.52909	12.6
69.53334	2.1
70.02858	10.3
70.19199	1.8
71.01260	18.2
71.04896	16.5
73.02814	4.1
84.00488	2.2
85.02841	7.8
87.05508	6.7
89.02327	13.2
95.01276	2.2
95.04939	2.1
96.95889	3.1
99.00733	2.5
99.04393	6.4
101.02348	13.5
113.02347	6.4
116.07047	2.1
119.03379	8.2
125.05962	1.9
128.03471	1.8
130.03201	9.0
143.04520	3.1
143.07045	2.1
146.08138	85.9
147.05869	4.1
147.08427	2.2
161.04430	2.5
179.05426	1.8
209.78645	2.0
215.12830	5.9
217.11911	17.5
241.09828	2.3
241.14418	2.9
261.39822	1.8
277.12259	100.0
278.12656	5.8
283.10931	3.1
305.44254	2.1
312.79086	2.0
377.18298	3.4
388.67908	1.7
401.05392	1.9
421.16867	28.3
421.20898	28.3
422.16769	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	419.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.8
63.37514	0.6
69.36328	4.8
69.36739	1.4
69.57098	0.6
70.02854	9.7
71.01256	1.1
71.14315	0.7
76.96753	0.6
78.05324	0.7
87.04390	11.0
96.00780	1.5
97.06444	1.3
101.03955	0.7
114.01856	26.6
115.26376	0.7
123.08024	1.3
125.09621	4.6
132.08116	4.7
134.09648	20.3
135.10004	1.2
144.64120	0.6
150.09157	1.9
160.07596	26.8
161.08003	1.6
176.10672	0.8
178.08662	6.2
178.12276	2.5
205.14873	0.7
207.10162	0.8
213.11678	0.9
216.13884	2.2
224.12860	2.1
225.11331	0.8
242.19118	13.7
243.19325	1.6
258.18622	0.8
260.20218	7.2
261.40085	0.7
261.90720	0.7
268.17068	4.9
286.18149	3.2
297.07764	1.2
304.19193	100.0
305.19556	9.9
357.21771	1.2
358.20084	0.8
375.22986	3.8
376.23358	0.7
391.07361	0.7
401.20929	1.2
419.21918	22.9
420.22296	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53454	0.4
57.03354	0.4
59.01252	100.0
60.01593	1.1
69.43914	3.4
71.01259	4.7
72.99208	0.7
73.02829	4.4
75.29066	0.4
80.51061	0.4
83.01260	1.1
85.02830	2.2
89.02316	2.1
96.95875	0.6
99.00777	1.2
101.02318	3.4
109.02875	1.2
110.82339	0.4
113.02358	1.9
119.03400	0.7
120.01128	0.5
125.02365	1.0
134.03650	0.5
137.02391	0.5
143.03436	0.5
147.03148	1.1
148.03952	1.0
161.04477	1.3
165.01903	1.0
165.09152	2.5
175.02649	0.5
176.03502	1.0
180.80019	0.4
183.58234	0.5
193.05154	0.5
195.06535	0.7
206.04527	0.7
207.10231	0.8
215.11913	1.4
227.08315	0.7
240.08997	0.5
241.09831	0.8
243.07726	0.6
253.09735	0.5
255.11450	0.6
257.08179	1.2
267.07111	0.5
271.07022	0.5
271.11011	0.9
281.09427	2.3
284.03360	0.7
295.25076	0.4
299.10480	1.6
375.12039	1.1
419.10843	9.7
419.19479	1.8
420.11566	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	417.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03437	19.8
59.01250	100.0
61.54572	18.0
70.25378	77.0
104.99203	17.7
164.82433	18.9
170.43391	19.0
177.97137	19.4
179.19333	19.9
207.63780	17.5
225.96091	20.8
232.90540	17.9
289.05569	55.3
300.35803	18.3
341.87427	19.3
417.20993	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.135
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01755	0.5
57.03313	0.5
59.01256	7.9
65.03835	0.7
67.29215	0.4
69.63046	3.1
71.01261	6.3
72.01586	0.4
72.99191	0.5
73.02822	1.7
81.03360	0.5
83.01263	1.2
83.04910	0.6
85.02829	2.5
87.00760	0.5
89.02322	2.2
90.56310	0.4
93.03335	4.4
95.01276	0.7
95.04895	0.6
98.20482	0.5
99.00733	0.8
101.02328	2.5
106.04131	12.8
107.04917	27.3
108.02057	3.7
108.05237	1.1
109.02897	0.6
113.02335	1.7
114.32484	0.4
119.03421	0.7
119.04916	1.7
121.02840	4.8
135.02911	0.5
138.03127	1.2
150.03180	0.6
151.03947	0.5
161.04559	0.4
171.08087	1.0
182.02171	0.9
200.06964	0.4
211.07608	10.2
212.07994	0.8
213.09161	72.2
214.09537	5.6
227.85873	0.4
257.08157	9.8
258.08557	0.9
299.05261	0.6
299.09125	0.6
419.13470	100.0
420.13834	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.5
56.55035	1.2
57.03322	4.0
58.00468	1.6
59.01251	100.0
69.03320	3.0
69.42655	10.2
71.01256	36.6
71.04899	2.0
71.18894	1.2
72.99185	5.1
73.02832	5.5
74.02373	1.4
75.00742	4.3
75.69991	1.1
81.03350	3.8
83.01284	1.8
83.04914	3.6
83.86201	1.1
84.02048	1.1
85.02835	13.0
87.00775	3.6
87.04434	1.2
89.02318	26.4
93.03326	3.3
95.01275	2.8
95.04905	31.3
96.16886	1.2
96.95870	1.5
97.02847	1.9
97.06458	2.8
99.00779	3.7
99.04409	17.1
101.02332	18.6
107.04962	1.5
109.06469	7.2
109.74391	1.2
111.00759	1.6
113.02335	10.9
119.03405	9.9
121.06472	12.0
123.04431	9.3
123.08044	1.9
125.02274	1.7
125.05933	1.5
128.03424	2.0
129.01880	1.6
133.06488	1.7
135.08064	7.5
137.06015	2.1
141.05464	1.7
143.03499	1.4
143.04538	5.2
147.04384	7.1
147.08031	1.6
149.09619	3.3
151.07565	3.5
159.08058	3.7
161.04713	1.9
161.06021	7.8
171.80524	1.4
177.09138	53.2
178.09514	2.9
179.05589	2.6
179.07054	36.1
179.08575	2.6
180.07494	2.2
183.06541	7.3
189.09145	4.9
195.10207	8.2
204.62172	1.2
208.54054	1.2
213.11345	1.9
214.04965	1.2
219.10146	7.4
221.08092	3.0
225.11299	3.5
239.09218	54.9
240.09566	3.8
254.07959	2.4
259.11841	2.7
267.07324	1.6
268.00217	1.2
272.08902	2.3
359.17010	2.7
385.15372	1.5
401.14572	2.0
419.15387	20.4
420.15692	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	417.2496
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.77059	0.4
55.01762	6.1
55.53448	0.4
55.68370	0.4
57.03323	5.2
58.00468	2.8
59.01253	71.0
60.01589	0.8
62.45119	0.4
62.98979	0.3
64.31747	0.4
69.03349	0.7
69.46490	0.9
69.46902	2.5
69.93525	0.5
71.01255	100.0
72.01579	1.8
72.99179	3.2
73.02820	24.9
75.00758	1.1
83.01257	11.2
84.02046	0.5
85.02824	39.9
85.08196	0.4
86.03140	0.5
87.00756	4.7
87.04411	2.1
89.02318	37.2
90.02658	0.8
95.01266	7.7
97.02841	1.5
99.00761	10.4
101.02325	64.9
102.02688	1.2
111.00753	0.6
111.70693	0.4
112.01592	0.7
113.02331	40.7
114.02679	0.9
119.03392	15.0
125.02343	2.3
129.01852	1.3
131.03416	1.7
143.03406	5.9
149.04453	1.1
159.02901	9.1
161.04466	43.4
162.04828	1.5
179.05516	4.1
205.03488	0.9
247.19247	0.4
255.19675	2.6
281.17969	0.4
417.25003	30.2
418.25284	3.7
420.70804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.86452	7.9
69.86862	3.8
71.01269	3.0
75.00751	1.8
90.48976	1.7
95.01284	2.0
98.19886	2.8
99.00789	1.5
142.99789	5.1
173.00879	2.0
174.01611	6.1
177.25018	1.8
211.13353	2.1
246.83513	1.5
279.48779	1.6
311.95499	2.0
367.14059	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87656	0.3
59.01252	100.0
60.01587	1.1
60.09760	0.3
71.01262	0.9
85.02885	0.4
86.74809	0.3
88.15717	0.4
89.02348	0.6
113.02348	0.5
113.32276	0.3
121.02880	0.4
146.31158	0.4
196.05586	0.4
208.56972	0.4
229.73013	0.5
279.12170	0.4
302.54227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46539	0.4
58.72290	0.4
59.01255	100.0
60.01608	0.9
65.50899	0.5
67.70562	0.4
69.41488	0.4
71.01272	0.7
73.02802	0.4
80.62287	0.4
82.74866	0.4
85.02822	0.5
101.02351	0.7
111.08029	0.8
121.02895	0.5
135.16022	0.4
158.08748	0.5
278.93863	0.4
315.19052	0.8
315.26663	0.4
315.69235	0.5
345.99274	0.4
417.21585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03313	1.0
58.00458	0.8
59.01253	100.0
69.54170	5.7
71.01257	25.5
71.01561	0.9
73.02814	8.7
75.00742	1.6
81.03357	0.8
83.01260	2.4
85.02821	11.7
89.02294	5.4
95.01254	1.3
97.02847	1.0
99.00755	3.9
101.02326	20.0
113.02329	13.7
119.03398	2.2
128.03444	1.3
129.01930	1.0
143.03391	2.8
159.02893	2.2
161.04465	26.9
165.09122	3.7
334.87448	0.8
357.15536	13.0
358.15930	1.4
417.17682	9.2
418.17212	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01553	0.9
55.01764	9.4
57.03321	1.6
59.01252	73.0
60.01577	1.0
63.49628	0.8
65.32607	0.9
65.77399	0.8
69.57912	7.2
71.01257	19.8
72.99207	1.6
73.02814	5.2
75.00752	31.6
82.60325	0.9
83.01279	1.7
85.02827	9.7
87.00749	1.1
89.02309	6.2
95.01263	1.8
98.19795	1.4
99.00766	3.2
99.04423	4.5
101.02332	10.8
113.02345	6.9
117.01814	1.7
119.03387	1.8
129.01837	7.7
143.03450	0.9
145.48106	0.9
147.02913	7.5
159.02913	0.9
161.04524	5.5
162.87512	0.9
165.03966	57.7
165.12781	5.8
166.04343	1.8
167.04404	0.9
168.45290	1.0
189.12656	1.1
207.13841	10.9
209.11787	11.2
225.14900	3.6
251.12901	5.0
269.13934	100.0
270.14197	6.8
292.54300	1.0
343.21179	2.2
399.16553	1.2
417.17642	34.9
417.24429	2.4
418.17828	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.9
57.03328	1.8
58.00475	1.8
59.01252	100.0
70.68519	2.4
70.68870	2.0
71.01259	50.2
72.99192	3.9
73.02820	61.9
75.00762	4.3
80.25599	1.4
83.01258	18.0
83.04868	1.7
85.02820	7.6
87.00773	1.9
89.02322	10.5
95.01255	1.7
95.04905	7.0
97.02860	2.4
97.06454	2.9
98.05219	1.5
99.00771	2.7
101.02325	44.0
107.04904	5.9
112.96324	1.4
113.02357	11.7
115.07565	6.3
119.03418	3.4
123.09735	1.5
125.02360	4.5
131.03391	3.4
135.08046	1.5
136.05269	1.9
137.77808	1.6
139.11227	2.4
143.03377	2.5
149.09644	1.9
149.67145	1.5
151.11197	47.7
152.11603	2.0
153.01840	3.9
161.04506	7.6
164.08313	3.6
165.04002	2.0
167.10664	3.4
169.12300	4.7
177.09117	8.0
185.11807	4.6
193.12279	4.9
195.10205	70.8
196.10587	4.6
209.11766	2.6
211.13341	4.6
213.11317	10.0
221.53206	1.4
255.06764	2.6
269.13928	9.4
271.07248	5.9
296.04620	1.4
310.11185	1.5
311.06827	4.3
343.21219	4.7
357.10977	2.8
385.10406	2.3
405.23383	1.6
417.12762	8.9
417.21417	7.9
418.21799	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22502	0.8
55.01747	1.1
58.00475	1.1
59.01252	100.0
61.98690	0.9
64.48706	0.8
67.57985	0.8
71.01256	25.1
72.99168	2.1
73.02821	4.2
73.33550	0.8
75.00754	2.0
81.06395	0.8
83.01270	2.3
85.02835	9.7
87.00755	2.0
89.02319	23.8
92.02583	1.1
95.01255	1.6
98.20625	1.8
98.52019	0.9
99.00751	2.2
101.02322	17.4
111.77447	1.2
113.02332	15.6
119.03397	13.9
125.02309	2.3
143.03374	2.7
159.02898	1.3
161.04465	15.8
177.09079	6.6
179.05527	6.5
195.10185	1.6
278.92035	0.9
330.02255	1.0
357.15549	21.6
358.15811	1.5
417.17627	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.2
57.03335	1.4
58.00464	1.9
59.01253	100.0
60.01591	1.7
69.03322	1.3
69.49319	4.6
71.01255	48.6
72.99199	2.4
73.02821	42.1
74.03175	0.7
75.00749	1.9
83.01260	16.1
85.02826	8.5
87.00765	2.0
89.02321	15.5
95.01271	1.9
97.02828	0.9
99.00739	2.5
101.02326	47.1
102.02676	0.8
111.08053	0.8
113.02326	13.3
113.03062	0.9
113.05973	0.6
119.03395	5.9
119.04938	0.6
125.02350	2.3
126.03107	0.8
129.01866	0.6
131.03410	2.5
137.02365	0.6
143.03442	3.4
149.04465	2.1
151.11162	0.6
155.03355	1.1
159.02989	0.7
161.04475	8.5
169.12254	1.1
171.10132	0.5
177.09099	3.5
179.05582	1.2
195.10191	0.6
203.05618	0.8
221.06548	0.8
237.11179	0.6
331.17621	6.6
332.18063	0.6
357.15189	0.6
375.16513	2.1
399.16525	5.3
400.17047	0.5
401.21783	0.6
417.17587	31.7
418.18085	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01574	2.0
62.42108	1.5
63.86436	1.3
68.38617	1.5
69.47529	6.7
69.47958	5.8
71.01249	3.4
72.99208	1.7
75.16288	1.8
83.01246	1.8
83.06671	1.6
85.02864	1.7
97.80202	1.5
99.00771	2.1
105.83289	1.8
119.24998	1.3
120.72074	1.6
135.02884	1.7
142.65553	1.5
142.99760	3.4
149.82465	1.5
173.00833	2.1
174.01601	6.6
193.12289	2.7
211.13399	3.0
221.11809	2.2
223.13321	1.7
228.13045	1.6
266.83279	1.6
274.20990	1.6
289.54837	1.7
296.11743	1.6
307.11569	2.2
367.13977	5.8
429.73868	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.6
55.99151	1.3
58.00461	2.1
59.01253	100.0
69.03323	3.4
71.01258	53.8
71.04905	2.6
71.57581	1.4
71.57967	1.5
72.99182	3.7
73.02821	62.6
75.00748	3.9
81.03335	2.1
83.01269	18.4
83.04901	3.8
85.02798	7.4
87.00777	1.9
87.04446	1.2
89.02310	9.5
95.01245	1.8
95.04913	6.4
96.95818	1.2
97.06463	3.7
101.02324	42.8
107.04892	7.0
109.79610	1.2
113.02345	11.4
115.07528	5.2
119.03387	2.2
119.04918	1.9
121.02940	1.8
125.02322	5.6
125.09607	2.2
131.03360	2.6
136.05156	2.7
137.02354	1.7
139.11148	4.6
143.03391	2.1
149.04436	1.6
149.05975	1.8
149.09616	2.7
151.11189	40.0
152.11516	2.9
153.01851	3.4
161.04474	4.9
164.08316	3.2
165.03940	1.7
165.05476	1.7
167.10704	3.3
169.12306	2.7
177.09177	7.7
180.00484	1.7
185.11760	5.1
192.33435	1.4
193.12282	4.8
195.10204	67.8
196.10475	3.7
205.44296	1.3
209.11813	3.4
211.13373	4.3
213.11313	9.3
214.11511	1.3
217.81177	1.2
255.06593	3.8
269.13797	7.1
271.07196	5.1
311.06842	3.2
343.21158	10.2
357.11093	2.2
385.10287	1.8
417.12866	10.9
417.16739	1.4
417.21844	6.7
418.13132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89362	12.8
59.01249	100.0
59.22105	12.9
69.86826	54.9
69.87248	24.3
96.61955	12.6
121.90056	14.2
179.98477	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	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.27538	0.6
55.01734	0.5
55.80476	0.5
58.37068	0.5
59.01252	7.6
64.63260	0.5
65.00190	0.5
68.26029	0.5
71.01256	1.9
71.58062	0.6
73.02824	0.8
75.00751	1.0
81.03339	0.6
85.02833	1.1
89.02281	0.7
93.03349	0.5
95.01262	1.5
97.70917	0.5
101.02374	0.9
107.04944	0.6
109.02850	4.7
111.00771	1.0
113.02313	0.7
119.86370	0.5
121.02858	1.3
123.00772	6.0
123.04393	1.0
124.01512	0.7
125.02351	1.9
133.02853	1.0
134.06038	0.7
135.00854	0.5
137.02339	18.6
139.00291	0.5
139.03937	1.2
147.02861	0.6
147.04440	0.5
149.02339	2.7
149.05954	0.7
150.03122	0.7
151.00273	33.8
151.03917	2.1
151.90973	0.5
152.01064	3.8
152.04745	2.3
157.87048	0.5
159.04388	0.8
161.02332	0.7
163.03912	1.2
165.01805	1.4
165.04048	1.4
165.12813	0.8
166.02628	70.8
167.03352	6.3
175.03957	1.4
177.01859	5.4
177.05443	1.0
178.02356	0.7
179.03409	0.9
181.04985	100.0
182.05313	4.7
184.03754	1.3
190.06294	1.4
191.03391	1.4
192.04182	1.4
193.04968	1.0
195.02899	1.2
203.03601	0.6
205.04942	1.2
205.08604	1.6
207.06473	1.0
209.11871	0.8
225.94621	0.6
255.10240	0.7
269.14014	5.2
269.58090	0.5
270.14139	0.8
301.07266	0.8
329.10040	0.6
356.12704	0.7
357.09744	0.8
359.11331	2.5
360.11548	0.8
371.14734	0.7
387.10883	17.5
388.11310	1.9
388.91199	0.5
402.13174	13.3
403.13477	2.0
417.15594	21.6
417.21170	2.0
418.15985	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	417.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07986	1.2
57.03328	1.3
59.01252	30.8
61.01677	1.2
71.01258	15.9
72.99194	2.4
73.02820	6.9
75.00747	3.5
75.80427	1.4
78.53583	1.6
83.01251	4.0
84.97276	1.2
85.02819	7.5
87.00751	3.7
89.02325	8.0
93.03341	1.5
94.44680	1.3
95.01257	3.6
99.00739	2.6
101.02324	10.3
109.02827	5.3
110.21168	1.3
111.00772	1.8
113.02319	4.2
119.03369	2.0
121.02896	1.5
123.00787	6.6
123.04399	2.4
125.02313	3.5
137.02338	16.3
137.99493	1.8
138.03033	1.5
149.02336	2.6
150.99142	2.2
151.00291	34.1
151.03911	3.2
152.00981	5.7
152.04713	2.2
153.01816	4.6
159.04445	2.0
161.04477	2.7
165.01788	1.6
166.02632	78.3
167.03317	7.4
175.03967	2.6
177.01837	5.3
181.04991	100.0
182.05284	3.3
191.03436	1.5
192.04240	3.3
195.13824	2.9
203.03445	1.8
205.08588	1.6
207.06532	2.1
225.15016	1.6
333.38995	1.4
343.20837	2.2
357.19199	1.7
359.11545	2.5
375.20212	3.6
387.10815	17.0
402.09750	2.1
402.13516	12.6
403.14182	2.2
417.15479	19.5
417.21255	9.3
418.16455	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	415.1977
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01757	3.1
57.03329	4.5
58.00468	4.6
59.01253	100.0
59.91552	1.1
60.01604	1.4
69.03342	2.8
71.01255	59.2
71.58356	1.9
72.99179	6.7
73.02824	9.1
74.03162	1.3
75.00750	5.5
83.01292	4.9
85.02817	16.9
87.00761	4.0
87.04385	1.2
89.02319	50.7
95.01260	5.3
96.81411	1.2
96.93481	1.0
96.95933	1.4
97.02859	1.0
97.06503	2.0
99.00761	21.6
101.02324	34.5
104.87207	1.0
107.08568	2.5
109.06503	1.8
111.00804	1.8
113.02335	28.6
115.00269	1.2
119.03400	19.1
119.08594	1.6
120.46234	1.2
122.06006	1.5
125.02347	2.4
129.01857	3.9
129.43579	1.1
131.03410	3.8
141.05533	3.2
143.03423	2.9
145.02928	1.1
147.02893	1.2
149.04457	8.2
151.00320	1.0
151.03894	1.8
161.04457	7.0
161.13277	11.7
165.03975	7.9
173.13252	10.1
179.05560	2.7
185.56601	1.0
191.05492	8.7
191.14372	4.5
192.14560	1.1
211.13423	4.4
217.12373	3.9
218.60715	1.1
223.13455	4.9
235.13356	46.0
236.13766	4.0
253.14371	6.4
263.12891	1.5
267.12424	3.6
337.16763	3.1
355.17691	4.4
415.15598	4.1
415.19934	36.4
416.20474	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	415.1978
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01758	1.6
57.03318	1.0
58.00470	1.6
59.01256	100.0
59.89796	0.4
60.01600	1.5
69.03336	1.5
69.31657	4.3
69.32071	0.9
71.01258	37.6
72.01617	0.7
72.99200	1.8
73.02824	39.7
75.00762	0.8
81.03318	0.5
83.01263	11.1
85.02832	6.5
87.00756	1.9
89.02322	16.2
95.01270	1.3
97.02824	1.1
98.19739	0.9
98.51664	0.4
99.00776	1.9
101.02330	32.4
101.85641	0.5
102.02631	0.6
107.76563	0.5
113.02347	10.7
116.58277	0.5
119.03393	5.7
125.02332	2.0
131.03433	1.6
143.03424	2.2
149.04475	1.4
149.13307	2.2
150.69183	0.5
155.03415	0.8
161.04463	4.6
179.05528	1.8
180.90474	0.4
193.12328	5.4
194.12674	0.7
210.96614	0.5
300.21689	0.6
329.19974	0.9
344.24124	0.5
355.17679	3.2
373.18671	7.8
374.19244	0.8
415.19751	27.7
416.20087	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
61.61144	0.4
69.93337	0.8
69.93758	1.7
74.98973	6.4
77.00538	75.7
78.00875	0.8
79.47028	0.4
140.02863	0.4
147.08070	2.4
149.09677	1.1
161.09573	1.4
163.11195	2.9
187.11281	2.4
192.07945	0.6
203.10660	0.7
258.19611	0.5
265.12399	0.5
279.13803	0.7
280.14648	1.6
300.67795	0.5
307.17035	0.7
309.22122	2.3
322.19186	0.6
337.21729	100.0
338.22040	13.4
380.71661	0.4
415.23090	8.6
416.23611	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03320	0.9
59.01253	100.0
60.01580	1.0
71.01253	4.0
71.58439	0.5
72.99176	0.5
73.02840	0.8
75.00745	0.5
80.23152	0.3
83.01276	1.1
85.02827	2.3
87.00808	0.5
89.02306	1.6
99.00787	0.7
101.02340	2.2
113.02332	2.3
129.01825	0.5
131.03275	0.3
143.07022	0.8
145.02766	0.4
151.03902	0.4
161.04500	1.0
165.09219	0.5
246.44160	0.3
249.06331	0.4
277.14011	0.4
327.21744	0.4
354.96365	0.3
356.74191	0.3
373.22528	1.3
415.15646	0.5
415.23831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	8.2
55.43932	0.4
57.03322	0.9
59.01252	52.8
60.01575	0.5
70.85854	0.8
70.86196	0.7
70.99594	0.4
71.01254	5.2
71.04900	0.8
72.99177	1.1
73.02808	0.8
75.00746	42.9
76.01110	0.5
83.04874	0.5
85.02815	2.1
87.00754	1.4
89.02309	3.0
99.00791	0.5
101.02314	3.4
101.81886	0.4
113.02319	0.8
116.70915	0.4
117.01855	0.8
119.03402	0.9
119.04927	0.6
129.01833	11.0
147.02890	6.3
161.13228	0.5
163.11205	0.7
165.03963	100.0
166.04303	2.6
187.11275	0.7
207.10208	0.6
223.13347	35.8
224.13667	2.6
234.66476	0.4
267.12393	8.4
268.12723	0.7
272.44330	0.5
282.62515	0.5
397.14923	0.5
415.16037	16.9
416.16492	2.7
416.21231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03330	5.5
58.00472	1.2
59.01254	100.0
60.01582	1.1
66.49166	1.0
67.01767	2.4
68.99690	5.3
69.03330	3.7
71.01257	50.3
71.59174	1.1
72.99187	12.7
73.02818	5.9
75.00750	42.1
81.03355	1.6
81.06995	1.8
83.01273	2.9
83.84203	1.1
85.02829	50.3
86.03162	1.7
87.00752	17.2
89.02304	12.1
91.03867	1.8
93.03324	2.3
95.01267	14.4
99.00761	24.3
101.02321	4.5
103.00261	5.1
109.02824	1.6
111.00751	2.5
113.02338	57.9
114.02621	1.7
115.00260	4.7
117.00407	1.2
117.01847	7.5
121.10120	43.0
122.10448	2.3
129.01817	4.7
137.02319	2.5
143.06982	1.4
157.01326	2.1
162.54362	1.0
163.59843	1.0
165.09132	51.9
166.09473	3.0
175.02419	5.5
189.03967	2.0
207.05090	1.2
211.13354	2.3
231.05058	7.5
249.06146	91.1
250.06470	4.3
267.07214	78.3
267.19510	1.6
268.07538	4.1
355.13831	1.6
397.15240	2.2
415.16086	71.7
416.16351	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.0
57.03324	1.9
58.00460	2.5
59.01252	100.0
60.01581	1.1
61.42307	0.5
69.03330	2.6
71.01254	63.6
72.99186	4.1
73.02820	72.0
74.03146	1.0
75.00751	2.1
81.03348	0.8
83.01260	22.9
84.72527	0.6
85.02822	8.0
87.00761	2.0
89.02319	18.4
95.01276	2.1
97.02839	0.8
98.19799	1.9
99.00751	3.5
99.04425	0.6
101.02323	67.4
102.02686	1.0
113.02328	16.8
117.55157	0.6
119.03394	7.0
125.02338	3.9
131.03421	4.2
137.02400	0.7
143.03412	4.3
147.02959	1.0
147.15262	0.5
149.04486	2.5
155.03430	2.4
161.04478	9.0
165.03915	1.3
179.05576	1.0
193.06596	2.4
193.12263	9.2
211.13368	2.4
223.13330	3.1
225.93367	0.7
229.36996	0.9
267.12354	1.1
355.17780	3.2
373.18619	10.5
373.23166	0.7
374.19141	1.3
415.14777	1.5
415.19736	14.9
415.24588	0.9
415.31808	0.9
416.20270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55486	0.8
55.01760	1.4
57.03314	2.4
58.00463	0.9
59.01252	29.1
70.36263	3.5
71.01258	21.4
72.99174	3.1
73.02810	2.6
75.00765	2.1
78.72351	0.9
83.01265	2.6
83.04893	2.9
85.02818	9.2
87.00751	2.4
89.02319	9.4
95.01257	2.7
95.04928	1.1
98.20512	1.0
99.00758	1.7
101.02328	9.9
107.04960	1.5
108.02081	1.2
109.06458	1.5
113.02330	7.1
118.41204	0.8
119.03414	4.8
121.06526	1.0
124.05206	2.9
125.05983	1.8
129.51306	0.9
130.04083	0.9
133.06497	2.3
135.04404	2.3
137.05933	1.5
138.06766	6.4
139.07573	13.8
145.02866	2.0
146.03644	35.5
147.04207	1.5
149.09648	1.7
151.07532	5.1
158.07240	1.1
161.05975	10.2
164.03616	0.6
164.04706	24.1
175.07568	5.4
179.07062	50.9
180.07474	2.4
191.10707	30.0
191.49515	0.9
192.11029	2.0
209.11800	0.9
235.09842	1.9
268.07587	1.1
269.07605	1.8
332.29755	0.9
334.01627	0.9
415.16119	100.0
416.16635	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	415.1611
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
50.08736	0.6
50.49566	0.6
55.01763	0.9
55.17959	0.6
57.03327	1.8
58.00452	1.7
59.01254	33.1
69.03313	0.6
70.36283	2.0
71.01257	22.3
72.99185	1.6
73.02816	2.0
74.56629	0.6
75.00747	0.8
83.01266	2.3
83.04906	3.4
85.02836	7.4
85.17658	0.6
87.00754	1.0
89.02319	9.9
95.01246	1.0
99.00739	1.7
101.02328	10.0
107.04903	1.9
108.02027	0.8
109.06464	2.3
113.02328	5.8
115.61229	0.7
119.03397	3.8
121.02831	1.0
122.03583	0.9
123.04423	0.8
123.08054	0.7
124.05207	4.4
125.05961	1.2
131.03409	0.7
133.06512	4.1
137.05984	1.9
138.03125	1.7
138.04111	0.7
138.06779	9.5
139.07562	17.8
140.07881	1.1
147.68553	0.6
149.09666	1.8
151.07559	6.7
153.05479	0.7
153.77739	0.6
158.07286	1.3
161.04492	1.1
173.09610	1.7
175.07590	7.0
176.08028	0.7
191.10710	35.5
192.11047	2.1
209.11800	1.4
232.18469	0.8
235.09705	0.9
265.48489	0.7
415.16122	100.0
416.16434	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03322	6.5
58.00477	2.4
59.01254	76.5
60.98030	1.3
68.59680	1.3
69.63572	1.7
69.63932	10.9
71.01257	56.9
72.99187	6.8
73.02822	24.5
81.03363	2.2
82.30533	1.2
82.68899	1.2
82.86967	1.6
83.01257	5.6
85.02824	16.4
87.00750	2.9
89.02322	65.8
95.01270	7.7
96.49951	1.4
99.00762	100.0
100.01125	1.6
101.02331	25.4
113.02335	45.3
119.03404	11.3
123.04429	3.0
125.02349	1.6
126.68617	1.3
131.03426	14.4
138.03206	1.6
143.03398	2.9
149.04466	35.2
153.05545	2.3
161.04471	19.3
167.03403	5.0
171.41707	1.5
179.05545	4.3
191.03770	2.2
191.05559	40.2
192.05887	1.6
198.77089	1.3
233.06689	6.9
293.08945	1.8
305.75146	1.4
313.09021	1.9
375.38879	1.5
415.15897	10.8
415.20935	2.2
416.15909	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57530	0.5
54.31266	0.5
55.01757	6.3
57.03315	1.7
59.01252	60.9
66.61732	0.6
69.03317	1.5
69.99733	3.1
71.01254	12.0
71.04893	0.8
72.99182	3.0
73.02811	1.8
75.00748	34.8
76.09433	0.6
83.01249	1.2
85.02830	4.3
87.00753	2.0
89.02321	8.0
91.25596	0.7
96.95956	0.8
98.19733	0.6
99.00745	1.2
101.02322	7.9
106.08452	0.7
113.02353	5.7
115.03907	3.0
117.01839	1.2
119.03381	2.4
121.06474	3.5
129.01822	8.5
147.02888	5.8
153.03494	0.7
161.04498	2.2
161.13271	1.3
165.03966	100.0
166.04280	2.5
171.94066	0.6
173.13287	1.3
205.12271	1.0
223.13338	24.8
224.13715	1.8
235.13374	1.6
253.05025	1.7
267.12350	6.2
300.13440	0.7
397.18903	0.8
415.15775	6.2
415.20505	15.5
416.20386	1.7
429.38486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45466	0.9
55.01762	5.6
57.02216	0.8
57.03322	3.4
57.82982	0.9
58.00460	1.3
59.01253	100.0
65.82616	0.8
68.99717	0.8
69.58543	6.5
71.01253	20.6
71.04886	1.5
72.99181	2.2
73.02829	5.6
73.03169	1.1
75.00752	10.9
81.03293	0.8
83.01254	2.9
83.04922	0.9
85.02834	7.9
87.00744	5.5
87.04427	1.3
89.02322	10.2
95.01253	3.0
97.02838	1.3
99.00767	2.5
101.02330	13.4
101.05959	1.3
103.66058	0.7
106.06542	1.2
107.04906	0.8
110.76447	0.8
111.00752	1.6
113.02340	8.1
119.03385	2.5
121.06481	2.7
125.02360	1.5
129.01834	2.1
132.04460	5.3
134.06053	9.4
137.56285	0.7
145.55640	0.9
147.02922	7.5
148.03958	1.1
152.07024	1.0
158.06030	2.2
160.03909	0.9
161.04466	3.5
161.09718	0.9
161.13290	2.9
163.11169	1.0
165.03969	25.2
175.02629	1.4
176.03513	5.1
183.13823	2.8
184.37386	0.9
187.11234	1.0
188.03488	0.8
202.19264	1.2
205.12273	1.2
207.05263	1.0
207.10236	1.3
208.06104	1.9
223.13359	50.6
224.13641	3.3
251.11836	3.1
255.11301	1.1
267.12390	30.5
268.12912	1.7
279.11353	4.8
295.10895	1.5
297.17123	1.8
316.76834	0.8
323.10358	6.6
324.10715	1.0
327.18301	1.8
355.12982	13.5
356.13641	1.0
383.12589	8.4
384.12601	1.2
415.15732	15.3
415.23920	1.6
416.16113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40782	0.8
55.01746	3.3
57.03330	2.2
58.00475	4.2
59.01254	100.0
60.10423	1.0
67.01762	1.1
69.03328	3.4
69.58311	0.9
71.01256	83.5
71.57124	1.3
72.01591	1.1
72.99187	6.6
73.02807	8.0
75.00739	1.4
81.03329	2.4
83.01266	7.5
85.02823	16.5
87.00755	15.9
89.02320	82.9
90.02672	0.9
91.03880	1.0
93.03326	1.0
95.01264	4.0
97.02835	9.7
99.00748	5.3
99.04411	1.3
101.02327	66.6
103.45884	1.1
109.02857	0.9
113.02334	30.6
113.56129	0.8
115.03879	0.9
119.03394	27.7
125.02351	15.8
131.03406	4.0
141.01875	1.5
143.03418	10.4
149.04428	3.0
161.04482	11.3
179.05530	23.8
185.04370	1.3
199.05580	1.0
221.06625	6.6
235.08202	13.4
245.06653	1.2
253.09230	8.5
263.07706	4.7
287.07849	1.4
305.08829	2.3
323.10144	1.0
339.99930	0.9
345.33420	1.1
415.14587	79.4
416.15240	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	415.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
57.03335	0.8
59.01254	65.8
68.99695	1.1
71.01254	8.3
72.99175	1.1
73.02823	1.1
75.00754	1.2
80.04935	2.1
83.01254	0.8
85.02819	3.1
89.02327	3.5
92.04937	0.7
94.06493	1.1
97.02771	0.6
99.00754	1.8
101.02322	3.5
104.04945	7.5
106.06503	10.0
108.04450	6.1
113.02319	2.7
116.04961	2.3
119.03422	1.3
120.04417	1.0
122.05998	2.5
125.02348	0.8
130.06557	1.3
132.04451	35.5
133.04802	0.9
134.06017	69.9
135.06351	2.5
144.04460	4.7
148.03955	8.4
149.09503	0.6
152.07085	2.2
158.02385	0.8
158.06020	8.8
160.03966	8.5
161.04501	1.8
164.07127	0.9
165.03952	1.4
174.05527	2.3
174.09273	0.6
176.03474	7.7
179.14313	0.9
188.03485	6.9
189.04210	2.0
190.04945	0.8
194.08087	1.6
199.28926	0.6
202.05080	1.7
207.09271	1.1
208.06094	6.5
208.09804	0.9
220.06215	0.9
221.07167	2.5
223.12305	4.0
225.10313	1.2
227.11824	2.6
235.08748	2.5
236.09421	1.7
251.11876	25.1
252.12206	2.5
253.09769	2.2
255.02963	0.9
255.11346	6.8
256.11679	0.8
265.10040	0.6
267.11371	5.1
277.09879	0.9
279.08188	1.2
279.11389	33.3
280.08875	0.8
280.11642	3.1
293.09607	0.7
294.10315	0.8
295.10886	13.0
296.11179	1.2
297.12659	0.7
305.09448	0.9
309.12723	0.7
313.07217	1.1
315.13290	0.8
323.10364	40.6
324.10519	4.3
337.11877	3.5
339.13544	3.2
341.11475	3.9
343.11746	1.0
355.12994	100.0
356.13248	11.0
373.14163	3.1
383.12509	20.2
384.12827	2.3
415.10422	1.3
415.15137	14.8
416.15427	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03944	4.8
57.95932	4.3
59.01252	100.0
66.40742	4.4
73.99268	5.0
86.02319	4.7
98.19755	10.7
103.67258	4.8
106.43558	5.1
173.91530	5.6
178.19881	5.0
191.52620	5.8
204.90143	5.4
213.93158	5.6
322.80826	5.6
330.73056	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37615	7.0
59.01251	100.0
62.26746	7.0
69.51727	32.0
69.52152	30.8
129.36766	7.1
132.97647	9.1
169.39369	7.4
188.04256	8.2
273.91803	7.5
332.40891	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	415.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82845	2.9
55.01769	4.3
57.03306	4.5
58.00470	3.6
59.01250	100.0
69.03325	6.0
71.01254	84.2
72.99178	7.9
73.02821	8.4
75.00724	3.4
81.03318	4.8
83.01266	8.9
85.02825	20.8
87.00750	16.6
89.02316	79.3
95.01289	5.2
97.02842	7.6
99.00755	7.3
101.02327	66.9
113.02341	28.3
119.03384	29.2
125.02328	14.5
143.03438	9.9
161.04480	11.0
179.05524	23.3
218.90056	3.0
221.06635	6.7
235.08177	16.7
253.09317	6.4
263.07761	3.8
293.06970	3.0
320.34924	3.3
322.34943	3.9
410.70380	3.5
415.14627	71.2
416.14819	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
55.27327	0.4
57.03328	0.9
59.01254	100.0
60.01587	1.1
64.11117	0.4
69.38455	0.5
69.38760	4.3
71.01254	8.1
73.02828	2.7
83.01293	1.1
83.67898	0.4
85.02826	4.4
87.00775	0.6
89.02329	1.7
90.02594	0.4
95.01285	0.9
96.95905	1.9
97.02873	0.5
98.95488	0.5
99.00772	1.1
101.02328	5.8
113.02320	3.6
113.11942	0.4
114.02666	0.5
119.03448	0.5
125.02357	0.5
143.03363	0.5
159.02991	0.5
161.04498	3.0
169.96600	0.4
209.15536	1.6
229.56775	0.4
264.65530	0.4
353.19754	1.8
371.20786	5.9
371.25098	0.6
372.21146	1.0
413.21817	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	413.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	8.6
61.98731	1.6
63.40325	0.7
69.34137	0.7
71.01259	3.4
71.57879	0.9
72.99192	0.8
75.00752	1.8
78.95781	2.5
82.02867	2.6
83.02393	0.7
84.00793	1.4
84.04433	2.7
85.02831	1.4
85.03967	3.7
87.05499	1.2
89.02325	1.6
91.05396	0.9
96.95921	2.2
97.03961	1.0
99.00751	0.8
101.02322	0.9
101.07087	2.0
102.05497	4.2
105.01795	0.8
110.02379	2.0
111.05507	1.5
112.02672	1.4
112.03954	0.7
113.02291	1.0
113.03474	6.7
116.04958	2.8
117.03374	1.2
121.04024	0.7
123.05590	3.3
124.02684	1.1
126.09209	0.6
127.05052	2.1
128.04980	1.6
130.08650	2.2
132.08075	2.5
134.05969	0.9
136.43123	0.7
141.06609	100.0
142.06984	2.1
153.10262	4.3
153.15538	0.6
154.06154	3.7
156.06911	0.8
158.06070	1.0
167.04567	5.9
169.09808	1.2
180.11363	2.5
184.06392	0.9
186.07968	1.6
195.07703	1.1
201.06667	1.5
203.08195	1.9
204.08617	0.8
214.07445	22.9
215.08179	14.7
216.08521	0.8
217.09776	1.7
228.08929	1.3
243.14998	4.6
246.12511	6.2
252.07832	1.0
254.15096	1.9
255.15018	1.0
256.12231	1.0
259.10904	2.0
271.14532	34.2
272.14874	1.9
295.13251	1.7
296.14142	1.1
296.17563	1.1
310.15564	1.5
338.18610	0.9
339.18250	2.3
354.20642	1.3
356.19934	1.1
369.22928	8.5
382.18201	0.8
413.21909	23.8
414.19516	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	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88763	0.6
53.09273	0.6
55.95938	0.6
59.01252	100.0
60.01591	1.2
71.01260	2.0
72.31391	0.6
75.00734	0.8
83.04962	0.5
85.02845	1.7
89.02341	0.8
93.51772	0.5
99.00771	0.7
101.02366	1.2
113.02359	2.2
121.02847	0.8
132.04425	3.0
163.07584	2.1
172.06432	1.0
208.05238	1.2
208.66571	0.6
209.05907	0.6
224.16559	1.4
249.06230	1.7
309.07870	0.6
369.21915	2.9
413.14285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75396	0.4
55.01768	1.1
57.03320	1.3
58.00472	1.4
59.01252	100.0
60.01582	1.0
69.03333	1.2
71.01255	35.6
72.01630	0.5
72.99184	1.9
73.02818	33.9
74.03139	0.7
75.00748	1.1
83.01263	9.6
85.02822	7.0
87.00744	1.6
89.02319	14.9
95.01262	1.5
96.95899	3.6
97.02825	0.8
98.20589	0.8
98.95467	1.5
99.00755	2.1
101.02324	30.1
102.02655	1.0
113.02335	10.2
119.03378	5.1
122.24187	0.4
125.02341	1.8
131.03407	2.5
143.03375	2.1
147.11679	5.9
147.67062	0.4
149.04457	1.1
155.03400	0.6
160.03870	0.5
161.04459	4.2
161.05701	0.6
179.05582	1.0
191.10669	2.1
209.11771	0.7
223.13284	0.7
229.52986	0.5
267.07086	0.7
339.08563	1.6
353.16040	2.8
354.10999	1.1
371.17105	6.5
372.17349	1.0
404.44843	0.5
413.17923	15.9
414.18405	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.9
57.03316	2.9
59.01251	18.5
68.99683	1.1
69.03317	1.7
69.54507	6.7
69.54919	1.5
71.01255	24.9
72.99187	4.8
73.02800	1.8
75.00320	0.6
75.00745	17.6
78.94880	0.9
83.01282	2.0
83.14500	0.8
85.02824	22.8
87.00747	9.0
89.02301	5.1
93.03359	0.9
95.01270	4.5
99.00771	8.7
99.04464	0.9
103.00219	1.2
111.00811	1.3
111.51041	0.9
113.02331	21.8
115.00228	1.3
117.01836	2.2
117.03352	6.6
119.04915	44.7
120.05249	2.4
145.02855	18.0
146.03130	0.9
163.03915	33.7
164.04213	1.5
170.37225	0.9
175.02301	1.1
205.07097	0.9
207.05098	1.6
208.81679	0.9
231.05127	1.5
237.07686	2.8
249.06122	21.7
250.06497	0.9
250.99103	0.9
267.07205	100.0
268.07462	4.0
332.82849	1.0
392.84521	0.9
395.09839	1.1
413.10809	27.4
413.16107	1.7
414.11014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
71.20417	20.1
100.81501	10.8
127.18822	10.1
202.80466	11.6
232.50752	15.6
378.09433	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.6
58.46048	0.9
59.01253	13.5
68.99667	1.3
69.50655	6.5
71.01254	22.2
71.26271	0.8
72.99172	3.4
73.02784	1.5
75.00749	14.2
76.85037	0.7
81.45163	0.8
85.02823	21.8
87.00747	7.9
89.02318	6.5
91.03888	1.2
95.01269	5.2
99.00752	10.4
103.00239	2.7
111.00777	1.3
113.02327	33.6
114.05532	0.8
115.00227	2.1
117.01834	2.2
117.03346	3.4
119.04919	38.4
120.05246	2.0
129.01874	0.9
145.02855	19.7
146.03220	1.0
163.03915	36.4
164.04266	1.0
175.02376	2.3
187.97934	0.9
207.05118	1.9
237.07654	3.8
249.03539	0.9
249.06134	22.0
267.07205	100.0
268.07455	4.7
351.10892	1.2
413.10849	31.0
414.10959	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51776	0.5
57.03327	1.2
59.01253	6.0
61.62705	0.5
63.96416	0.5
70.18485	0.5
71.01250	7.7
72.99171	1.9
73.02832	0.6
73.39259	0.5
75.00752	4.9
81.56134	0.5
85.02826	7.7
87.00745	2.9
89.02312	2.2
95.01247	2.3
99.00751	3.6
103.00265	0.8
112.01546	0.5
113.02334	13.2
115.00254	0.7
117.01862	0.9
117.03333	2.5
119.04921	15.8
120.05206	0.8
145.02859	8.6
163.03914	17.9
164.04219	1.0
175.02371	1.9
207.04939	0.7
231.05008	1.3
232.05150	0.5
237.07735	3.1
248.50542	0.5
249.06133	20.8
250.06467	0.6
267.07208	100.0
268.07584	6.0
351.10910	0.6
395.09647	0.7
413.10904	41.0
414.11243	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25168	0.6
57.03350	1.9
59.01251	11.1
59.01529	0.7
64.74854	0.6
69.25957	6.2
69.60413	0.6
71.01258	17.7
72.99174	4.2
73.02832	1.3
75.00748	8.9
83.01275	1.0
85.02825	18.4
87.00737	6.6
89.02330	4.8
95.01257	4.1
98.19829	1.4
99.00761	6.6
101.02340	1.7
103.00273	2.2
113.02340	21.6
117.01861	2.1
117.03311	4.2
117.19598	0.6
119.04923	17.7
120.05294	0.7
129.01823	1.4
145.02858	16.7
157.01392	0.6
163.03915	15.7
163.05209	1.2
165.01883	0.6
175.02444	1.9
177.67767	0.7
207.05086	0.8
237.07704	2.0
249.06177	7.9
267.07217	100.0
268.07535	4.8
413.05307	1.1
413.10828	21.3
414.11279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
57.15664	0.4
59.01246	5.1
62.78676	0.4
69.56776	3.0
71.01246	1.4
79.95605	2.4
83.01257	0.5
85.02834	1.0
87.00767	0.9
89.02307	1.0
95.95104	0.6
96.95891	100.0
98.19844	0.7
101.02335	1.2
113.02325	0.7
119.03417	0.7
122.06142	0.4
147.02930	0.4
147.04425	0.8
151.07570	0.7
168.96568	0.4
263.13116	0.5
278.30075	0.5
345.26978	0.5
351.20340	0.7
411.20584	59.1
412.20929	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	411.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.4
70.82542	0.4
70.82940	0.3
71.01247	0.4
73.70868	0.2
75.00739	0.2
79.95615	2.5
85.02814	0.3
89.02374	0.2
96.95893	100.0
97.95822	0.3
98.95487	0.2
104.18111	0.2
121.70021	0.2
146.08134	0.3
150.53616	0.2
182.38647	0.1
201.69696	0.1
221.29848	0.2
234.60434	0.2
260.33023	0.2
277.12363	0.3
301.83270	0.2
411.20584	41.4
412.20901	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	411.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
59.22723	0.2
67.78420	0.2
71.01257	0.4
73.02792	0.2
79.95617	2.4
85.02806	0.3
89.02271	0.3
95.95103	0.7
96.95892	100.0
97.95812	0.3
98.19835	0.4
101.02335	0.4
161.04459	0.3
165.03970	0.2
170.28363	0.2
175.71602	0.2
219.13824	0.4
231.17944	0.2
240.22231	0.2
370.92642	0.2
385.73831	0.2
411.20584	47.8
412.20947	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	411.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89192	3.1
59.01250	16.9
61.98679	3.4
69.53671	26.3
72.99202	3.6
74.27657	3.3
75.00745	47.4
89.02314	7.7
124.16283	3.5
135.02890	58.1
136.03308	3.5
179.98027	2.9
195.13846	5.6
223.13344	5.6
254.82314	3.6
275.20142	9.4
293.21252	100.0
294.21515	11.7
311.20401	3.4
383.51456	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.93361	9.1
66.70238	8.9
70.32962	42.7
71.11171	9.1
188.72124	10.9
232.89485	11.3
281.59506	10.1
364.09302	10.7
418.83270	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
54.94827	0.5
55.01753	0.9
59.01253	100.0
60.01592	0.8
61.98708	0.5
69.38031	3.1
69.38464	2.2
71.01257	5.5
72.99204	0.6
73.02834	2.0
77.36287	0.5
83.01273	1.3
85.02820	2.5
89.02312	1.8
95.01293	0.5
95.75875	0.4
96.95890	17.5
99.00780	1.3
101.02321	4.1
106.24361	0.6
113.02345	2.2
115.00256	0.6
119.04925	2.4
123.00777	1.1
123.72636	0.5
124.01582	1.7
125.02299	0.5
130.08615	1.3
133.06503	0.6
135.04410	7.4
137.02357	0.8
145.02843	0.7
161.04503	2.8
173.71442	0.5
207.80765	0.6
258.44714	0.6
273.12537	1.1
289.11948	1.2
289.16620	1.2
307.17661	9.5
308.17914	0.5
314.04266	7.0
315.04840	0.5
329.06650	16.6
329.23663	0.7
330.07202	2.1
349.18607	1.4
409.18854	8.1
410.19351	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	411.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09010	0.1
55.81710	0.1
56.89996	0.1
57.03313	0.2
59.01255	1.5
69.76435	0.7
69.76849	0.3
71.01255	0.5
73.02808	0.2
79.95618	1.8
83.30571	0.1
83.95210	0.1
85.02840	0.3
89.02315	0.2
96.95889	100.0
101.02318	0.4
132.28201	0.1
161.04729	0.2
190.08678	0.2
264.36826	0.1
411.20575	35.2
412.20877	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.3
57.03313	3.3
59.01252	100.0
71.00900	2.0
71.01254	29.2
71.05439	3.1
72.99161	3.0
73.02451	1.5
73.02822	20.9
75.00736	2.3
83.01221	6.6
85.02817	17.4
85.99934	1.3
87.00764	2.2
89.02322	10.8
95.01244	2.3
99.00771	8.6
101.01689	2.4
101.02319	29.1
102.02678	1.5
109.02869	1.8
113.02335	15.8
119.03362	1.6
125.02348	3.2
131.03362	3.8
141.97777	1.2
143.03409	2.5
159.10159	1.2
161.04459	11.9
165.01839	1.9
179.03319	2.0
195.06598	2.7
217.10715	2.3
225.07446	1.5
235.11833	40.7
236.12115	3.3
277.12906	4.9
349.14963	2.8
367.16080	52.0
368.16223	3.8
409.17038	43.7
410.17361	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01587	1.6
69.46818	1.2
69.47224	3.7
71.01262	5.0
72.99174	0.6
73.02829	1.9
83.01270	0.9
85.02814	1.4
87.00764	0.7
89.02308	4.1
96.95921	1.0
98.19788	0.8
99.00793	0.7
101.02331	3.4
113.02357	2.7
119.03411	1.6
131.53630	0.6
161.04408	0.6
173.11810	1.7
367.17743	1.9
409.24921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92772	0.6
57.03314	0.9
59.01249	100.0
59.45684	0.6
60.01600	2.4
61.01672	0.9
63.47989	0.6
66.50952	0.6
69.39043	1.8
69.39446	4.6
71.01247	4.7
73.02827	1.4
75.00741	1.7
79.95609	0.9
80.96398	1.7
85.02843	2.3
87.00780	0.8
89.02342	2.7
96.95885	8.2
99.00771	1.1
101.02346	2.0
113.02352	2.4
119.03418	0.9
128.17871	0.7
129.01950	0.7
151.55144	0.8
152.08604	0.7
161.04529	1.2
204.07948	1.6
249.06146	1.2
387.12894	0.7
389.90790	0.7
409.13757	0.8
409.18927	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86835	0.4
59.01253	100.0
60.01596	0.9
65.53543	0.4
71.01259	3.6
71.58578	0.7
73.02823	0.9
85.02859	1.4
87.00803	0.4
88.98717	0.4
89.02325	1.5
96.95891	4.5
99.00808	0.4
101.02344	1.8
113.02357	1.6
114.26127	0.5
122.42371	0.4
161.04485	1.2
220.14703	0.4
247.13289	0.4
289.16556	1.0
307.17603	3.2
349.18701	2.2
409.19150	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	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04914	0.5
59.01253	100.0
60.01584	1.3
71.01273	1.2
73.02854	0.6
85.02845	1.3
101.02366	0.7
102.97823	0.5
161.04474	0.5
287.10504	0.9
305.16202	1.1
313.08267	1.1
315.06305	0.6
331.09375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01583	1.2
62.10245	0.6
65.38917	0.6
71.15668	1.3
72.24549	0.5
73.81467	0.6
79.95689	0.6
85.61140	0.5
96.95911	1.2
171.10231	1.0
193.84146	0.6
251.03848	0.7
343.31900	0.6
347.15503	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	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.7
57.03319	6.0
58.00471	4.4
59.01254	100.0
61.26532	1.2
69.88821	7.4
71.01257	93.7
71.04899	4.1
72.99173	6.0
73.02820	21.2
75.00752	2.4
83.01273	10.3
85.02824	35.0
87.00748	6.3
89.02319	59.6
95.01263	7.5
99.00745	8.6
101.02324	72.6
111.00788	2.3
113.02331	39.1
114.02702	2.1
115.76554	1.4
119.03394	28.2
120.03703	1.3
125.02358	2.6
129.01865	1.8
131.03383	3.7
143.03423	5.2
143.06992	1.6
149.04567	2.7
159.02916	7.4
161.04475	31.5
164.39943	1.3
165.05478	1.7
179.05518	5.1
190.79889	1.2
245.17546	14.0
246.17929	1.9
285.09793	1.8
285.12335	8.4
345.14578	9.4
346.14676	1.9
363.15378	1.4
407.22931	47.1
408.23410	6.7
413.42255	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	407.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43263	1.9
55.01760	6.7
57.03336	4.2
59.01254	100.0
60.01616	2.8
62.74692	2.1
67.01758	1.9
69.88708	10.2
71.01254	77.5
71.04871	2.4
72.01574	2.9
72.99193	5.2
73.02825	19.9
75.00762	3.0
83.01246	10.2
85.02827	28.5
87.00770	5.6
89.02316	38.3
95.01263	5.8
99.00751	10.0
101.02323	62.3
101.02985	3.1
111.00841	2.7
113.02339	31.1
116.04967	8.4
119.03394	20.7
122.05972	3.1
131.03423	2.3
143.03418	4.8
149.04634	3.1
150.05406	2.0
158.06006	5.2
159.02887	5.1
161.04460	26.4
179.05539	5.6
179.14342	2.4
245.17587	10.8
285.12579	11.2
345.14465	9.9
346.14893	3.4
363.15558	2.7
407.14648	3.6
407.22873	47.1
408.23038	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	407.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29549	0.6
58.30104	0.6
59.01250	11.8
59.37823	0.6
60.32524	0.6
67.43201	0.6
69.03320	4.8
71.01250	2.5
71.57043	1.0
75.00745	4.0
78.95780	0.8
87.73321	0.7
96.96820	2.1
97.02827	7.3
98.90575	1.0
110.42706	0.7
114.93282	1.0
137.58432	0.8
164.85970	0.7
171.10175	0.7
173.98311	0.9
174.99129	1.8
181.12221	1.7
189.97871	2.5
190.21376	0.8
201.97884	0.9
211.13306	1.2
225.97926	0.9
227.99503	2.3
239.02321	1.5
241.00241	1.1
254.01088	2.0
258.00653	1.3
261.11099	1.4
262.11823	3.0
267.01846	3.5
267.05423	1.0
295.04974	5.0
295.08038	0.9
297.10153	1.1
306.19287	0.7
309.06778	1.5
309.10272	3.0
309.20789	0.8
310.07281	3.5
311.08112	1.5
312.08908	1.7
331.18896	1.7
337.09909	1.7
338.10468	100.0
339.10785	8.2
347.79590	0.8
365.16315	0.9
407.17496	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	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80067	1.8
55.01756	2.8
57.03314	2.0
59.01254	75.7
64.68452	1.8
65.07996	1.7
69.49962	17.0
71.01262	15.1
72.99197	3.2
73.02831	4.3
75.00754	2.8
82.02859	14.0
83.01248	2.3
85.02820	5.9
89.02325	10.2
91.48139	1.9
95.01305	2.6
99.00708	2.6
101.02341	7.8
105.59470	1.8
113.02364	6.5
119.03379	3.8
136.03938	1.8
152.27840	2.3
157.08644	6.3
160.07616	3.8
162.04301	3.7
162.05571	2.3
164.03485	4.5
164.19925	1.9
171.10222	4.2
172.10860	2.5
174.05547	3.7
179.05588	2.5
186.05475	2.6
188.07167	2.0
189.06705	2.6
216.05373	6.7
216.10095	2.3
217.02527	5.4
217.06064	12.6
229.05994	9.3
230.06976	3.6
231.07660	12.1
232.08351	4.0
241.06268	2.9
242.03246	5.1
243.04099	27.6
243.07721	4.1
244.04816	8.8
244.09804	10.5
245.09315	6.2
245.17554	4.1
249.06061	3.7
256.04910	6.2
257.05719	17.0
258.06421	5.1
259.07251	39.8
259.10907	7.3
269.09396	6.1
271.07303	23.0
272.07901	2.5
285.08896	5.3
287.10391	77.4
288.08566	5.0
288.11145	3.4
291.09933	7.5
295.07281	2.7
298.05972	2.4
313.08307	100.0
314.08636	7.9
319.12817	2.0
331.09381	52.5
332.09766	3.8
345.10947	9.5
347.17154	4.7
375.08231	16.5
389.10120	5.6
407.10980	43.8
407.15497	4.5
407.19330	3.4
407.23450	3.1
408.11346	3.9
430.31360	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.7
59.01252	43.8
64.40712	1.1
65.99719	3.9
66.65625	1.3
68.61782	1.2
69.42267	2.0
69.42675	10.4
69.75142	1.4
69.89764	1.3
71.01267	5.4
72.99203	1.7
73.02827	1.6
77.16584	1.2
82.02859	9.8
83.54993	1.4
83.77873	1.3
85.02837	4.9
89.02319	3.8
99.04342	1.2
101.02308	2.8
103.98431	1.2
106.02877	2.1
113.02348	1.9
113.98285	1.2
136.03917	1.5
149.04472	1.1
160.07565	3.1
162.04247	2.8
164.03462	6.5
171.10141	2.9
174.05524	2.0
186.05505	2.0
188.07109	2.8
189.02974	1.4
189.06630	2.1
190.03789	1.5
191.04538	2.3
195.34402	1.2
200.07228	1.6
201.04398	1.5
201.06514	1.6
202.08691	3.8
215.04518	3.6
215.08144	1.9
215.12903	2.9
216.05052	7.4
217.02492	6.6
217.06116	9.7
218.06738	1.9
228.06679	2.0
229.06006	8.9
230.03270	3.5
230.06984	3.4
231.07709	12.0
232.08522	5.3
241.06129	3.3
241.10197	1.5
242.03346	4.1
243.04086	21.9
243.07768	3.0
244.04816	9.6
244.09821	12.2
245.09323	6.6
248.09348	3.7
254.06795	1.7
255.04028	1.7
256.04907	5.7
257.05621	19.0
258.06305	6.0
259.07245	45.5
259.10818	7.7
260.07266	1.5
269.09354	3.4
270.06512	1.3
271.07248	19.9
272.07669	2.1
285.08838	5.7
286.09216	1.4
287.10379	76.4
288.08725	7.3
288.11087	3.9
291.09863	12.3
303.06387	2.0
303.09625	1.4
313.08298	100.0
314.08694	8.6
319.13220	2.0
331.09338	59.3
332.09683	5.4
335.08932	2.9
344.86038	1.6
344.91125	1.3
345.11075	6.6
357.07208	2.6
365.18253	2.4
375.08313	16.7
376.08826	2.0
389.09888	2.6
407.10962	49.6
407.19330	4.8
408.11179	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	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25974	1.0
58.46770	1.0
59.01249	3.9
71.01265	1.8
71.57635	2.0
83.04932	1.6
88.91134	1.1
109.06572	1.2
135.08081	1.2
185.61565	1.1
211.13219	1.4
239.16478	3.2
241.18022	4.3
267.19687	1.5
275.16348	1.9
315.26755	2.1
317.28384	2.2
325.25491	5.4
333.27936	2.4
343.26416	4.2
359.26099	3.0
361.27490	4.3
369.24261	6.1
377.26807	2.2
387.25354	12.4
388.25955	2.2
405.26456	100.0
406.26758	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	406.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	15.9
59.01251	21.2
60.22064	1.3
66.03365	3.1
69.39512	10.2
69.39922	2.7
70.02840	1.3
71.01263	13.1
72.00764	1.7
73.02811	2.1
74.02345	28.7
75.00751	2.3
76.08181	1.2
81.04463	3.2
82.02842	3.3
85.02836	3.8
86.02350	11.7
86.05972	2.4
87.00729	1.7
87.02626	1.5
87.05523	7.0
89.02313	7.3
97.03947	4.0
98.20492	3.0
99.00789	1.4
99.05511	23.7
101.02310	7.0
101.07084	3.6
102.05506	4.3
109.03962	2.9
111.05553	2.1
112.03969	3.4
113.02351	4.4
119.03395	3.0
123.05543	2.8
124.03918	2.3
125.03462	3.8
127.05013	5.8
128.03430	73.3
129.03767	4.3
133.06824	11.4
135.05547	8.3
137.07129	1.3
141.06633	3.4
143.04532	100.0
144.04860	4.6
145.05031	2.7
145.06120	4.2
146.04486	10.0
151.03903	2.7
153.06610	7.6
157.08594	2.4
161.04449	1.8
162.00185	3.1
163.03918	1.9
166.09734	3.0
167.04552	6.2
167.08177	5.1
170.03242	2.5
171.03999	1.9
179.04521	24.0
181.06221	3.0
184.10742	1.3
185.05595	2.6
192.07697	2.7
197.05597	7.3
206.23438	1.3
210.08789	21.2
211.09053	2.6
228.09819	1.9
249.06201	2.5
254.07800	47.0
255.08203	2.9
256.08264	2.1
257.12906	1.6
272.08871	54.1
273.09241	4.1
274.09341	2.8
277.12338	6.5
290.06451	2.1
306.07590	1.5
307.08051	2.5
308.07431	17.9
331.12958	1.8
365.18152	1.3
388.15466	9.2
393.84515	1.6
406.16547	39.8
406.21240	2.3
407.15335	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	406.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	15.9
59.01251	21.2
60.22064	1.3
66.03365	3.1
69.39512	10.2
69.39922	2.7
70.02840	1.3
71.01263	13.1
72.00764	1.7
73.02811	2.1
74.02345	28.7
75.00751	2.3
76.08181	1.2
81.04463	3.2
82.02842	3.3
85.02836	3.8
86.02350	11.7
86.05972	2.4
87.00729	1.7
87.02626	1.5
87.05523	7.0
89.02313	7.3
97.03947	4.0
98.20492	3.0
99.00789	1.4
99.05511	23.7
101.02310	7.0
101.07084	3.6
102.05506	4.3
109.03962	2.9
111.05553	2.1
112.03969	3.4
113.02351	4.4
119.03395	3.0
123.05543	2.8
124.03918	2.3
125.03462	3.8
127.05013	5.8
128.03430	73.3
129.03767	4.3
133.06824	11.4
135.05547	8.3
137.07129	1.3
141.06633	3.4
143.04532	100.0
144.04860	4.6
145.05031	2.7
145.06120	4.2
146.04486	10.0
151.03903	2.7
153.06610	7.6
157.08594	2.4
161.04449	1.8
162.00185	3.1
163.03918	1.9
166.09734	3.0
167.04552	6.2
167.08177	5.1
170.03242	2.5
171.03999	1.9
179.04521	24.0
181.06221	3.0
184.10742	1.3
185.05595	2.6
192.07697	2.7
197.05597	7.3
206.23438	1.3
210.08789	21.2
211.09053	2.6
228.09819	1.9
249.06201	2.5
254.07800	47.0
255.08203	2.9
256.08264	2.1
257.12906	1.6
272.08871	54.1
273.09241	4.1
274.09341	2.8
277.12338	6.5
290.06451	2.1
306.07590	1.5
307.08051	2.5
308.07431	17.9
331.12958	1.8
365.18152	1.3
388.15466	9.2
393.84515	1.6
406.16547	39.8
406.21240	2.3
407.15335	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	407.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	14.6
69.03312	0.3
70.40520	0.8
71.01252	0.8
73.02813	1.0
78.77695	0.2
83.01257	0.3
85.02825	0.3
89.02299	0.4
96.95872	0.6
99.00763	0.3
101.02328	0.4
113.02358	0.4
131.04951	0.3
145.02826	0.6
158.03645	15.4
159.04433	5.6
171.04454	2.4
171.10196	1.0
173.02333	0.7
173.05910	0.3
175.03903	0.6
183.04459	0.4
185.06029	0.8
201.01903	0.9
201.05534	2.9
202.02654	100.0
203.03171	7.6
213.05533	2.4
215.03355	0.3
220.93587	0.2
227.03505	0.5
231.06514	1.3
243.06689	0.4
245.04526	1.0
257.04434	0.2
275.05612	1.3
305.15878	0.3
325.37097	0.2
331.12979	0.4
367.09439	0.3
405.33627	0.2
407.09824	32.5
408.10233	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01754	4.9
57.03331	5.2
58.00460	2.5
59.01252	56.1
69.70454	5.3
71.01253	100.0
71.07469	0.6
72.01601	0.8
72.07204	0.8
72.99171	3.7
73.02815	24.2
75.00727	1.5
81.03348	0.9
82.68748	0.7
83.01260	8.8
84.02042	1.4
85.02824	38.6
87.00760	4.1
89.02317	32.1
95.01257	7.4
97.02838	2.9
99.00752	11.0
99.04432	1.0
101.02323	66.7
102.02687	1.5
109.06468	0.7
111.00723	0.8
113.02328	45.4
115.03926	1.2
119.03400	10.6
123.08064	1.9
125.02367	2.2
125.05988	2.3
128.03392	1.4
129.01845	1.6
131.03458	0.8
138.06772	1.1
139.07549	1.6
141.09117	20.6
143.03412	6.3
143.04536	2.1
151.11217	1.2
153.09114	1.7
159.02919	9.8
161.04463	67.7
162.04782	1.7
163.11218	0.8
179.05612	1.0
181.12233	2.9
182.10359	0.7
188.38991	0.8
195.13815	1.1
199.13330	1.5
205.03502	0.9
207.13837	1.3
225.14969	0.8
243.15981	82.9
244.16330	5.1
300.75775	0.8
306.07510	1.4
307.08038	1.2
405.21359	24.4
406.21735	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01764	2.4
57.03323	2.0
58.00469	1.5
59.01257	38.9
60.01600	0.9
67.13007	0.5
71.01257	25.3
71.58913	0.9
72.01595	0.8
72.99179	3.9
73.02825	4.8
75.00774	1.4
83.01279	3.2
85.02831	8.9
85.06463	3.7
87.00771	2.3
89.02333	14.4
95.01244	1.2
96.95898	1.2
97.06442	0.8
99.00779	4.5
101.02332	16.6
102.97301	0.6
113.02339	8.6
115.78131	0.6
119.03403	5.4
143.03378	0.7
153.12816	0.6
155.14339	7.7
161.04443	1.2
181.12244	0.9
181.15869	2.7
192.10330	0.6
196.15749	0.5
198.23918	0.6
199.13353	17.0
200.13663	0.7
225.14932	4.3
233.84489	0.6
237.57472	0.6
255.74310	0.7
332.87360	0.6
363.20154	1.0
371.66040	0.6
387.20303	1.3
404.69696	5.2
405.21317	100.0
406.21631	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	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.6
57.03325	2.6
58.00464	2.8
58.12334	1.1
59.01252	70.9
60.01557	1.0
64.22546	1.1
69.24251	10.1
70.69653	1.1
71.01256	63.3
72.01571	1.5
72.99178	5.2
73.02827	6.2
75.00744	8.7
83.01270	4.1
83.04930	1.3
85.02827	13.8
87.00755	3.8
89.02316	30.2
89.02827	2.1
92.96543	1.0
95.01276	3.5
95.24197	1.0
96.95911	2.9
97.06497	1.2
99.00759	2.3
101.02314	24.9
101.02902	1.6
113.02327	13.2
115.00280	1.1
119.03391	14.7
121.02849	1.2
121.06496	2.3
123.04473	1.5
129.01851	3.6
134.03604	1.5
143.03432	1.7
153.12816	3.9
155.10718	2.5
160.01651	2.2
161.04489	1.2
165.12808	1.6
175.03967	3.4
177.03958	6.0
179.05602	3.3
183.13821	5.4
195.05045	3.2
199.13417	6.4
201.14917	11.1
221.05663	1.2
225.15071	3.2
227.12804	1.6
243.15878	1.5
249.06200	2.2
258.09406	2.2
267.07330	2.3
275.03128	1.1
285.12665	2.3
300.77872	1.0
324.12259	1.3
329.11383	1.3
345.19180	8.7
351.33374	1.1
363.20193	17.3
387.20422	1.9
405.21426	100.0
406.21844	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01591	1.3
68.75623	0.5
71.01244	0.6
71.45197	1.0
73.02796	0.6
75.58047	0.5
101.02369	0.5
117.58475	0.6
216.27338	0.5
259.79495	0.5
336.00391	0.5
341.11295	0.5
346.29224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
63.23195	41.0
66.51367	39.7
66.55424	35.8
70.14273	63.3
70.14658	61.0
72.45428	34.1
75.37421	40.2
81.24866	44.4
91.64904	35.1
96.30202	40.5
114.25564	35.6
178.31343	42.2
219.52667	43.6
291.19611	59.6
356.24280	51.2
404.94678	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2644
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
56.37360	0.7
57.03319	0.9
59.01265	5.0
71.01235	1.3
71.57633	1.0
83.04880	1.5
84.18121	0.7
88.82805	0.8
97.06492	0.7
109.15224	0.7
111.08009	0.9
111.29037	0.7
127.04990	1.2
135.08018	1.0
137.09641	0.9
161.62070	1.0
205.15782	0.7
211.13354	1.2
213.14981	1.9
231.17494	1.1
237.14999	0.9
239.16510	2.2
241.17949	1.9
245.19125	1.0
247.13605	0.9
267.19739	0.9
275.16696	1.5
291.19894	0.8
315.26971	2.4
323.22440	2.0
325.25467	5.7
326.25891	1.2
333.27835	1.2
341.24918	2.3
343.26416	4.7
344.26813	1.3
351.23074	1.1
359.25964	4.0
361.27420	4.4
369.24417	5.0
377.27075	0.9
387.25433	13.9
388.25919	1.7
405.26465	100.0
406.26807	15.3
419.63336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55136	0.8
57.03363	1.2
59.00837	2.5
59.01254	85.4
60.01634	0.8
61.45767	0.7
69.32503	7.5
71.01256	4.4
73.02873	1.5
75.00756	3.6
85.02882	2.2
87.00811	1.1
87.03070	0.7
89.02374	3.2
96.76328	0.8
97.06532	1.1
97.21654	0.7
98.20535	1.8
98.65687	0.6
99.04465	2.3
101.02382	2.7
102.96727	0.6
113.02367	1.6
135.02898	7.9
141.01929	0.8
144.07722	0.7
150.03076	0.9
165.12857	1.7
167.10716	0.9
168.03035	0.7
175.04028	0.8
199.13354	1.0
207.13925	2.6
209.11801	7.5
225.14897	3.9
227.12846	39.4
228.13245	3.1
243.12332	1.5
243.15942	1.3
251.12900	1.0
255.03030	0.9
269.13934	11.1
270.14597	1.0
284.03192	0.9
285.12256	0.7
287.15021	100.0
288.15378	7.3
311.10220	1.7
329.11163	2.6
405.17542	32.3
406.18277	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03315	1.4
58.00460	3.6
59.01252	73.9
61.98686	0.9
71.01255	59.5
72.99184	4.4
73.02810	2.8
73.97261	0.8
83.01266	3.2
85.02818	9.2
87.00737	2.7
87.54475	0.8
89.02320	45.0
95.01266	3.4
97.02818	1.0
97.06500	1.1
97.88268	0.8
99.00733	2.1
101.02325	32.1
113.02333	16.8
119.03389	18.7
127.07527	1.0
127.11197	2.1
131.03424	1.6
139.11159	1.2
143.03391	2.0
149.04443	1.1
150.05548	1.2
153.12775	9.8
161.04463	2.8
173.80177	0.9
179.05507	4.9
199.13393	5.3
200.08424	2.0
225.14864	6.2
243.81047	0.8
326.04230	1.0
387.20056	2.2
405.21313	100.0
406.21616	10.8
425.99042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34848	0.4
56.96915	0.5
57.03330	0.5
61.98705	100.0
70.13468	0.4
70.98222	1.1
85.02827	1.0
85.19628	0.4
87.00731	0.7
96.04445	0.7
96.95865	0.5
133.99074	0.4
191.01839	0.5
244.03792	0.4
244.41299	0.4
323.86511	0.5
359.83331	0.5
404.10074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33523	0.9
57.70734	1.0
58.02853	10.9
59.01252	9.4
60.01561	1.1
66.03356	1.7
69.52695	7.3
71.01260	11.3
71.04455	1.0
72.00768	1.4
72.01563	1.7
73.02824	3.0
74.02348	25.5
82.02871	3.2
83.01268	1.6
84.04401	1.3
85.02821	6.5
85.03941	1.2
86.02356	10.9
86.05981	1.3
86.98962	2.5
87.05532	5.9
89.02325	5.7
90.00086	3.3
97.03950	1.7
98.42836	1.1
99.05518	22.5
99.06120	1.9
101.02339	7.7
101.07098	4.3
102.02619	1.9
102.05492	4.1
107.06023	1.6
109.03963	2.7
109.07607	1.8
111.05487	2.2
112.03934	2.8
113.02322	2.6
116.01633	1.8
119.03400	2.7
123.05442	1.8
124.03943	2.1
125.03408	2.1
126.01810	1.4
127.05029	6.3
128.03429	66.4
129.03732	1.5
129.99686	1.3
134.29124	1.0
135.05531	5.8
138.36478	1.0
141.06578	6.2
143.04529	100.0
144.04874	2.3
145.06079	4.6
146.04459	7.9
153.06602	8.3
160.00650	30.3
161.00993	1.2
161.04506	5.1
166.09702	3.5
167.04568	6.0
167.08162	3.5
170.03279	1.4
177.03333	10.3
179.04539	21.5
179.06059	1.7
181.06068	2.7
184.00833	1.1
185.05598	3.7
192.07784	1.5
197.05676	5.0
198.08746	2.0
205.12282	1.4
206.12627	2.3
210.08788	18.1
211.09007	1.6
213.03310	1.1
214.80647	1.0
220.07385	1.3
223.13181	1.7
224.13771	1.7
228.09781	2.3
241.14383	1.6
242.07840	2.6
242.14815	1.4
243.15915	2.8
254.07803	33.4
255.08092	1.5
272.08878	48.2
273.09219	3.2
288.06577	15.6
306.07660	99.6
307.07980	7.1
386.04004	1.0
404.19971	3.7
419.52100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1978
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
57.03324	3.7
57.83147	1.8
59.01254	85.2
61.98697	3.7
64.81150	2.0
69.03307	2.2
70.87339	5.5
71.01258	35.5
71.04871	3.0
72.99165	4.1
73.02826	9.5
75.00745	3.1
83.01272	3.2
85.02817	11.8
86.33271	1.9
87.00755	3.2
89.01819	2.5
89.02328	21.1
95.01267	5.4
95.10033	2.0
99.00802	2.1
101.02334	19.9
108.02094	1.9
111.22644	2.0
113.02342	12.6
119.03381	5.9
121.02817	4.8
122.03608	5.6
123.00763	2.1
123.04365	3.4
123.08049	2.7
131.03461	2.1
135.02931	2.2
139.00273	2.7
149.02379	14.5
150.03079	4.2
161.04477	5.7
179.14304	2.9
181.08600	3.6
188.04681	2.2
190.04948	3.6
197.11812	9.4
211.13248	2.1
223.13370	21.7
239.11847	2.8
241.08640	20.5
241.10825	13.2
241.14436	5.9
241.53606	2.2
250.07373	3.7
253.06224	2.0
283.11026	6.6
285.13379	5.0
309.08740	3.0
327.09866	11.4
328.09839	5.2
343.12122	6.4
371.08820	7.8
388.11621	3.4
403.14255	8.4
403.19696	100.0
404.14651	3.4
404.20016	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	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48897	0.7
55.01755	1.5
57.03323	2.3
59.01250	100.0
60.01580	0.8
61.98697	2.8
69.03364	1.0
71.01250	11.1
72.99187	2.7
73.02838	1.1
73.98705	0.9
75.00737	6.9
83.01257	1.8
83.04903	0.9
85.02831	10.0
87.00769	3.3
88.53859	1.0
89.02318	2.5
93.03320	1.4
93.81532	0.9
95.01285	2.7
97.02829	1.3
99.00755	4.4
101.02335	2.9
103.00270	1.0
104.06158	0.9
113.02321	10.9
150.57442	0.9
153.09120	9.1
153.68486	0.9
165.12746	3.2
167.44814	1.0
167.87552	0.9
175.02480	1.0
183.13783	4.8
188.16980	0.9
194.67807	0.9
210.26132	0.9
221.19109	2.8
225.05521	14.8
226.06126	3.2
227.12857	3.9
241.08687	37.5
242.09007	3.4
249.06149	8.5
255.16029	1.5
265.18063	1.7
267.07202	9.6
283.19189	1.7
301.20331	2.8
311.49509	0.9
331.24799	3.0
364.93030	1.0
388.75906	0.9
403.15927	9.3
404.20853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
54.71951	1.6
55.01753	4.9
57.03320	12.2
58.02844	6.3
59.01254	58.6
63.91482	1.7
66.67310	1.9
69.03334	2.3
69.53261	14.3
71.01255	88.6
71.04907	2.8
72.01598	2.5
72.99190	3.9
73.02823	26.1
74.02363	12.5
79.98332	1.8
81.03326	5.2
82.02820	2.0
83.01263	12.2
84.92123	2.0
85.02826	39.3
86.02390	4.6
87.00746	5.2
87.05507	3.1
89.02314	29.8
90.32178	1.7
95.01289	5.2
95.04892	6.8
97.02836	5.5
98.20491	3.7
99.00765	11.1
99.04435	4.2
99.05535	11.7
101.02325	69.1
102.02614	2.3
102.05468	2.3
109.06464	2.1
112.03942	2.3
113.02324	41.0
119.03391	13.8
121.06496	7.1
123.04433	4.6
123.08055	34.9
125.05952	3.2
125.09606	4.6
128.03432	35.6
135.05521	4.3
135.08101	3.6
136.05125	2.2
137.09622	2.1
141.09174	1.9
142.06268	2.8
143.03505	3.6
143.04523	45.5
143.08533	2.8
145.06190	3.9
146.04416	2.4
151.07555	10.3
153.06573	2.9
153.09131	2.6
157.06483	3.3
159.02924	8.5
160.00645	11.8
161.04469	38.0
161.05815	3.3
161.09618	31.6
162.04770	1.8
163.07512	2.7
163.11191	14.6
164.08336	3.7
165.09135	4.5
166.03613	1.9
166.09778	2.5
167.04556	3.0
167.06900	2.6
177.03314	4.5
177.09143	4.0
177.40819	2.3
178.59631	1.9
179.04434	9.1
179.10683	31.4
180.10982	2.9
181.12262	12.1
185.05605	2.5
185.08078	2.0
185.09709	1.9
187.11229	10.4
191.10728	2.2
193.12204	3.2
205.12289	47.0
206.12682	2.4
210.08757	6.6
223.13348	62.5
224.13721	4.7
241.14438	100.0
242.14641	5.5
253.10808	3.3
254.07845	13.3
260.56097	2.1
272.08917	15.6
288.06613	5.3
306.07675	50.0
371.85413	2.2
403.19727	62.5
404.20163	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	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01751	5.0
57.03324	13.3
58.00467	4.0
59.01250	59.8
61.92394	0.6
65.34763	0.7
65.85647	0.6
68.99673	0.7
69.03322	3.2
70.44799	3.0
71.01254	78.3
71.04908	1.6
72.01595	1.1
72.99187	6.6
73.02814	21.3
73.78474	0.8
74.03153	0.7
75.00749	3.3
81.03334	1.1
82.09346	0.7
83.01257	12.8
83.04877	1.4
84.02043	1.1
85.02822	35.2
85.06437	0.7
85.94256	0.7
85.99976	1.4
86.02389	0.6
86.03130	0.7
87.00756	4.3
87.04392	1.3
89.02315	25.3
93.03373	1.0
95.01275	7.2
95.04920	1.0
96.01526	0.6
96.95891	1.5
97.02823	5.4
97.06452	1.5
98.03628	1.0
99.00757	10.5
99.04420	3.9
101.02322	61.9
101.05978	0.8
102.02679	1.5
102.05492	1.7
107.04904	0.9
108.02052	2.5
109.02836	7.3
109.06450	2.1
111.00777	1.0
113.02328	28.8
113.05952	4.0
119.03389	10.8
121.02904	0.8
121.06452	1.5
122.03678	0.8
123.08050	13.9
125.02351	1.3
125.05956	2.8
125.09589	2.8
127.07534	0.8
129.01837	1.5
131.03395	1.0
133.06319	0.8
135.02890	0.8
135.07991	1.1
136.05208	1.0
137.09631	3.6
139.07518	3.1
141.09116	6.3
142.06253	2.2
143.03452	1.6
143.04489	0.7
143.06985	1.0
143.10707	1.4
147.08115	0.8
149.09676	1.1
151.07533	2.6
152.07953	0.8
153.01831	12.7
153.09100	4.3
159.02853	3.0
160.00679	0.8
161.04475	16.3
161.09630	9.0
162.04654	0.7
162.10094	0.7
163.11176	2.1
164.08369	0.7
165.09125	9.4
167.07040	1.6
167.10742	1.6
169.08569	1.8
175.07552	2.9
177.12762	7.5
179.05537	1.1
179.10701	7.1
181.08560	2.0
185.09567	0.9
187.11203	4.9
189.09143	0.8
190.09877	2.1
193.12259	1.3
203.10666	0.9
204.08458	0.8
205.12270	22.7
206.12555	1.1
208.10938	1.2
221.11765	1.4
223.13332	33.0
224.13687	2.4
227.13017	0.7
232.64969	0.7
241.14409	34.2
242.14763	2.5
249.06148	1.4
253.10855	3.0
265.14404	0.9
267.07153	2.1
290.12253	0.8
301.16620	1.2
385.18698	1.3
403.08771	3.6
403.19702	100.0
404.20087	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12635	0.6
55.32172	0.5
59.01252	100.0
60.01586	1.9
61.98701	1.3
66.34988	0.6
67.01750	0.6
71.01258	4.2
71.04973	0.5
73.02834	1.3
75.00757	2.0
83.01281	0.9
85.02835	2.4
87.00745	0.7
89.02354	1.4
97.06504	0.6
99.00747	2.1
101.02328	1.5
109.02845	0.7
113.02371	2.5
119.03402	1.0
120.01128	0.7
153.01875	0.6
229.70732	0.8
231.41194	0.6
246.55937	0.5
255.16034	0.9
268.17572	1.1
323.18790	2.4
331.25009	0.6
380.20227	0.5
403.15430	0.6
403.20346	4.2
403.70807	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	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01760	3.9
57.03328	4.8
57.88582	1.1
58.00472	1.3
58.02857	1.0
59.01253	27.0
68.99664	1.3
69.03330	2.0
70.33948	2.9
71.01256	49.2
72.99156	2.2
73.02817	14.1
74.02365	1.8
75.00729	0.9
81.03324	1.7
83.01255	8.1
83.56036	0.9
83.56594	0.8
85.02826	19.7
85.06465	1.8
86.02363	1.0
87.00738	1.2
87.04394	1.7
89.02321	9.5
95.01259	4.2
95.04898	4.4
97.02840	4.6
97.06464	2.0
99.00761	5.7
99.04415	1.9
99.05516	3.3
101.02325	35.1
107.04893	1.7
109.06468	3.5
110.05529	1.0
113.02339	20.8
119.03369	5.3
119.08492	1.2
121.06467	1.3
123.04430	0.9
123.08054	40.5
124.08400	1.8
125.05977	1.2
125.09625	6.3
128.01334	0.9
128.03450	6.5
133.06482	1.0
135.08081	2.3
136.05209	1.8
137.06023	0.9
139.07555	1.3
141.09087	1.8
143.03387	3.0
143.04539	10.5
143.08572	1.0
145.06390	1.0
145.10141	1.2
146.04520	0.8
146.07249	2.2
147.08063	1.0
149.09674	0.8
150.29893	0.9
151.07539	9.1
153.09138	1.5
157.06522	1.2
159.02890	4.3
160.00612	2.9
161.04480	20.1
161.09625	33.4
162.04868	1.3
162.10039	1.8
163.07578	1.0
163.11223	5.6
164.08284	2.2
169.08627	1.3
171.07991	2.0
172.08844	1.1
175.07553	1.1
175.11276	1.0
177.09125	1.3
177.12746	1.1
178.09869	1.3
179.05716	1.0
179.10692	16.8
180.10985	1.1
181.12251	3.0
187.11261	7.6
188.11583	0.9
189.09181	2.0
190.09898	3.0
191.10698	2.5
203.10681	1.3
205.12279	42.2
206.12627	3.6
210.08777	2.5
223.13359	57.5
224.13678	4.9
241.14423	100.0
242.14746	8.2
254.07739	4.0
272.08948	5.4
288.06735	1.6
306.07635	10.6
392.35968	0.9
403.19720	41.1
404.19971	6.4
415.30682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.63528	0.6
53.18963	0.6
54.80132	0.7
55.01770	1.2
57.03333	4.1
57.09414	0.7
58.00470	4.3
59.01251	100.0
59.10796	0.7
59.48567	0.8
60.01587	1.6
67.39426	0.6
69.03307	0.9
71.01253	74.1
71.04893	11.7
71.57599	1.0
72.01603	1.5
72.99200	6.3
73.02826	4.4
73.06467	2.1
74.02334	0.8
75.00750	3.2
81.03313	0.9
83.01262	2.8
83.04903	0.9
85.02821	15.2
87.00745	5.0
87.04451	0.9
89.02319	76.6
90.02714	1.0
95.01266	4.3
96.97060	0.7
97.02876	1.4
99.00777	1.6
99.04395	1.5
101.02322	38.2
113.02328	27.4
119.03387	31.0
131.03374	4.0
135.02907	1.6
135.07924	1.0
137.09645	2.0
143.03445	4.7
143.04373	1.0
149.04460	3.1
156.08813	0.8
161.04500	6.9
161.09569	1.1
165.09067	1.4
177.12831	1.1
179.05534	6.5
179.10666	1.7
179.14389	1.1
181.08640	1.9
197.11803	5.4
202.39677	0.7
205.01254	0.9
205.12346	3.2
211.63121	0.8
223.09885	1.1
223.13319	4.6
241.10803	8.9
241.14471	2.7
253.04584	1.4
268.35153	0.8
283.11395	2.5
306.07938	0.9
327.09772	1.9
367.78070	0.9
371.08633	1.1
403.19958	10.3
404.20215	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.5
55.37186	0.5
56.32030	0.4
56.77153	0.5
56.85794	0.4
59.01254	100.0
60.01593	1.2
61.98711	0.7
70.11513	0.4
71.01256	1.4
71.07494	1.1
73.02837	0.4
85.02862	0.5
86.78336	0.5
89.02333	0.7
91.03889	2.4
99.08047	0.6
101.02300	0.8
101.91713	0.5
106.12214	0.6
169.96001	0.5
171.10172	0.7
183.13922	0.9
211.06142	0.5
211.13356	4.0
227.08292	1.5
229.14473	1.9
267.00931	0.5
283.10800	3.0
310.50912	0.7
310.54343	0.6
311.22461	2.0
327.10013	1.3
329.23364	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58794	0.9
56.67381	1.0
57.03321	5.2
59.01252	100.0
60.01574	1.2
62.50579	0.9
67.58655	1.0
69.03275	1.0
69.71249	1.0
71.01257	13.8
71.28033	1.7
71.28367	1.2
73.02820	2.8
75.00740	1.4
82.10690	0.9
83.01246	2.4
83.04893	1.1
85.02827	3.5
87.00748	2.8
89.02311	10.5
95.01257	2.2
99.04377	5.0
100.31677	0.9
101.02311	6.4
113.02330	5.3
119.03370	2.3
119.08543	2.7
121.06447	1.2
123.00738	2.1
137.02409	1.0
137.09641	6.1
138.03073	1.1
139.00243	3.1
143.15897	1.0
146.41586	0.8
147.04379	1.2
148.77620	1.0
151.03922	1.3
159.11824	1.0
161.09656	3.8
163.07607	1.7
178.02681	1.7
179.10658	4.5
181.08626	16.7
182.08954	1.1
193.04901	2.0
197.11772	41.3
198.12071	1.4
211.13393	1.3
223.09724	4.2
223.13379	1.2
241.10788	95.1
242.11101	5.8
283.11661	1.3
311.82288	1.0
327.09653	2.5
328.09515	2.8
343.11798	6.0
362.75705	1.2
373.13162	1.6
388.11588	2.5
403.15024	6.6
403.19839	1.7
404.19891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01749	1.7
57.03294	3.4
57.29606	1.0
58.00458	2.0
58.02822	1.8
59.01253	100.0
60.01590	1.6
68.99678	0.9
69.03307	2.8
69.41449	3.4
69.41874	4.5
71.01252	43.4
72.90671	0.9
72.99165	4.2
72.99586	0.8
73.02827	7.8
73.61358	0.9
74.02324	3.7
75.00726	2.3
77.01192	1.0
81.03308	1.5
83.01255	5.3
83.04886	1.2
84.01984	1.1
85.02341	1.6
85.02822	20.1
86.02374	1.0
87.00721	3.6
87.04350	0.9
89.02317	24.2
89.72449	1.1
95.01241	3.3
96.95869	1.4
97.02805	3.1
97.06443	2.0
98.19759	1.6
99.00774	4.7
99.01283	0.9
99.04340	1.2
99.05487	2.6
101.02324	28.5
101.05948	1.9
102.05440	2.8
107.04919	1.7
109.06481	10.2
111.04353	1.0
113.02338	17.4
119.02699	1.0
119.03394	12.2
121.06431	1.3
123.04350	1.8
123.08050	69.3
124.08363	2.0
125.05989	1.3
125.09634	1.7
128.03435	9.8
129.01776	1.1
131.03342	1.8
135.02930	1.2
135.08067	1.2
137.09587	1.1
137.83128	1.0
140.07016	1.4
141.05466	4.8
141.06438	1.0
141.09081	1.1
143.03360	2.4
143.04498	13.3
145.65416	0.9
149.04485	1.5
151.07532	2.0
153.09045	1.0
153.62068	1.1
159.02844	2.9
160.00578	3.6
161.04478	11.4
161.05923	1.5
161.08397	1.5
161.09628	15.3
163.07491	2.0
167.07048	15.2
175.11111	1.1
179.04430	3.3
179.05733	1.5
179.10689	5.9
181.08591	2.7
187.11101	1.5
189.09033	1.0
205.09056	1.0
205.12265	10.4
208.10735	1.0
210.08710	2.3
223.09752	16.5
223.13313	14.3
225.11247	3.1
241.14418	31.0
242.14612	2.2
243.12376	1.5
254.07825	4.7
260.00183	1.0
272.08945	7.5
285.04333	1.1
288.06516	1.2
306.07675	13.6
385.14984	5.4
403.15851	94.9
403.19650	7.4
404.16129	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01785	1.2
57.03328	4.3
58.00474	1.4
59.01254	100.0
60.01578	1.6
62.78590	0.9
69.38914	0.8
69.82372	4.7
71.01261	22.5
71.01663	1.1
71.04902	1.6
72.99184	1.6
73.02827	5.9
74.50340	0.8
75.00743	2.7
81.03304	0.9
83.01279	3.8
83.04909	1.5
85.02821	8.0
87.00764	3.7
87.10940	0.9
89.02322	12.3
95.01278	2.0
95.04908	0.9
95.47956	0.8
96.05702	0.8
99.00779	1.5
99.04413	3.0
101.02322	11.0
111.08067	1.0
113.02329	8.2
119.03385	4.6
119.08537	1.6
121.06512	1.3
133.10129	1.5
135.02913	3.9
135.08020	1.9
137.09637	5.8
140.17308	0.9
143.04512	1.7
151.07538	0.9
161.04466	4.7
161.09631	3.4
163.07539	1.4
179.10728	5.3
181.08638	13.6
197.11766	47.6
198.12315	2.6
214.12357	2.9
216.14063	1.1
223.09729	5.1
241.10803	98.8
242.08867	1.3
242.11012	5.0
244.13428	1.2
269.13928	1.1
272.12897	8.9
279.84735	0.9
283.11288	2.1
285.13318	1.0
290.43881	1.0
309.08948	0.9
327.09940	2.2
332.15088	11.3
371.08835	1.1
403.15277	3.5
403.20270	9.6
429.94345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18236	1.3
51.51644	1.6
57.03320	2.0
59.01250	33.5
67.01767	2.2
68.99678	2.5
71.01256	13.0
72.99174	2.0
73.02818	3.1
74.02339	2.1
74.62178	1.5
77.48106	1.6
83.01268	4.7
85.02831	4.7
87.00771	3.8
89.02332	4.8
95.01266	21.0
97.02834	1.8
99.00756	1.8
101.02339	6.3
108.02032	2.7
108.63613	1.5
109.02842	4.8
111.00755	8.8
112.98709	2.0
113.02337	5.1
119.03352	2.4
121.02827	5.2
121.06468	1.4
122.06015	3.0
123.00765	22.7
123.04430	3.7
124.01555	4.9
124.07596	1.9
125.02322	3.8
127.00252	3.7
132.04433	8.6
135.02846	1.9
135.04474	1.5
136.01611	9.6
136.98711	6.1
137.02357	4.9
138.03136	7.4
139.00266	21.4
139.03923	7.1
145.02866	2.0
147.03215	3.2
147.04359	13.4
148.05017	1.8
150.05536	1.9
151.03853	11.2
153.01834	3.6
154.02620	3.0
154.99742	1.5
158.02373	2.7
159.04408	2.2
160.03934	5.8
160.42252	1.5
161.02415	1.9
161.04510	3.8
162.03131	2.8
162.05493	2.2
163.03918	4.1
165.05537	2.0
173.02423	2.5
174.03152	2.5
175.03911	3.2
176.01019	2.9
176.03461	6.7
176.07005	1.7
177.01862	4.6
177.05479	11.6
178.02625	13.2
179.03258	1.8
179.10675	2.6
182.02162	1.4
184.07690	1.8
187.03856	1.7
188.04739	9.5
189.05504	3.4
190.02576	2.3
190.05061	8.0
191.03436	4.2
192.04190	3.4
193.04982	18.4
197.06018	4.2
197.11775	3.9
203.03412	4.1
204.04288	3.9
207.06825	1.5
212.05798	2.3
213.06612	1.7
215.11873	2.6
219.06450	2.5
223.08769	1.5
224.09489	6.1
227.08191	4.6
234.03999	3.2
239.11870	8.0
240.08665	1.9
241.10773	10.3
253.06197	10.3
254.06819	2.4
255.07767	2.9
255.11287	2.9
265.09747	3.9
267.07669	5.8
268.08591	6.0
271.07306	1.5
281.09265	4.7
283.10867	31.9
284.11285	2.1
285.07657	1.7
285.13498	2.4
309.08737	9.8
310.08856	2.7
313.07330	8.0
315.08932	2.3
315.13654	2.2
325.07285	2.3
327.09836	35.0
328.09531	23.8
329.09998	4.4
340.09488	2.1
343.11844	77.0
344.12146	8.1
345.09787	1.7
353.07867	2.1
355.08228	2.1
355.11978	6.1
359.12271	1.5
371.04300	2.8
371.08820	36.9
371.13477	2.4
372.08957	3.5
373.09109	15.5
373.12979	24.3
374.09079	1.8
374.13281	3.6
388.11673	27.4
389.11871	3.7
403.13818	100.0
404.15073	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65485	1.0
59.01005	1.6
59.01254	22.9
69.93076	5.2
71.01241	3.4
71.08593	1.1
72.99194	1.5
78.92908	1.1
85.02805	1.8
104.04932	1.9
108.04441	1.7
113.02280	1.1
120.04393	1.5
122.06009	7.0
123.00774	1.3
125.02290	1.4
130.02887	1.9
131.03593	1.4
132.04463	13.1
134.05974	1.2
135.02852	2.7
146.02380	1.4
147.03099	4.2
148.03958	2.1
148.05215	1.2
150.05463	2.8
150.93285	1.3
158.02328	4.9
160.03957	7.2
161.04631	1.5
162.05423	3.2
174.05589	1.4
175.02612	5.0
176.03436	9.6
176.07054	1.2
178.04922	1.1
179.10785	1.3
184.07597	2.3
190.05032	18.1
191.05368	1.9
192.02908	1.9
192.06578	2.0
193.04956	2.9
197.07056	1.5
197.11710	4.4
199.08665	1.4
204.02901	4.6
206.04459	1.4
211.12212	1.7
212.05736	1.5
212.10657	1.6
213.06613	2.2
215.11771	3.5
220.02530	1.3
223.08727	2.2
224.09474	7.4
225.06390	1.9
226.07350	2.4
227.08205	7.9
227.12445	1.3
234.04123	2.5
238.08762	1.4
239.08125	3.1
239.11855	18.4
240.10457	5.5
241.10287	9.4
241.14403	2.5
243.11337	2.3
250.07365	1.4
253.06181	17.8
253.09789	1.9
254.02951	1.3
254.06654	3.2
255.07614	3.4
255.11360	4.5
256.08350	2.3
265.06174	1.7
265.09409	1.4
266.06894	1.8
267.07684	5.1
268.08539	9.2
269.09177	3.3
271.07169	2.8
281.09283	6.2
283.10886	49.0
284.11151	4.3
285.13403	5.5
287.14883	4.9
294.06406	3.3
297.05121	1.3
299.10284	2.5
305.06497	1.4
309.08826	19.7
310.09082	2.1
315.13223	1.9
327.09854	59.1
328.10300	7.4
341.11517	7.3
343.12024	3.1
353.07571	3.3
359.12433	8.6
371.04343	2.1
371.08862	39.9
372.09018	4.8
373.12909	1.4
385.10239	3.3
388.11267	1.7
403.11337	100.0
404.11539	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79633	2.2
51.09193	2.0
57.03319	4.1
59.01251	72.8
61.98698	2.3
63.04628	1.7
68.92953	2.0
68.99688	2.6
69.62241	14.3
71.01262	11.9
72.99173	2.0
73.02813	3.8
75.00749	4.6
77.64764	2.1
83.01257	4.2
84.10571	1.9
85.02838	4.3
86.71586	2.1
87.00755	3.6
89.02325	9.2
95.01265	11.0
99.04385	2.3
101.02343	9.0
105.37146	2.1
111.00777	4.9
113.02343	5.7
119.03412	2.1
121.02840	2.6
122.06027	9.3
123.00802	12.7
123.04387	2.2
124.01584	3.9
124.07547	3.6
125.02403	2.5
132.04454	21.4
135.08096	2.7
136.01579	3.0
137.02289	2.2
137.09584	3.7
138.03149	4.2
139.00259	13.1
139.03911	4.7
146.03636	2.2
147.03114	7.1
147.04408	6.2
150.05516	6.0
151.03929	9.5
153.01901	3.3
153.05498	2.6
154.35970	2.2
158.02405	7.7
159.04457	2.7
160.03943	16.4
161.04604	3.4
161.09764	2.2
162.05559	4.3
163.03917	3.5
165.03967	6.2
176.01064	3.3
176.03438	14.6
176.04749	2.4
176.07043	4.7
177.01881	2.6
177.05508	6.1
178.02620	7.2
178.04057	1.9
181.08649	11.5
184.07582	3.6
188.04736	5.2
190.05020	29.8
192.04204	4.2
193.04984	15.1
197.11786	37.0
198.04269	3.1
203.03476	2.2
204.02823	3.4
211.06519	2.7
211.12234	2.6
212.05789	3.3
212.10744	4.9
213.06610	4.9
215.11838	4.5
223.08553	4.1
224.07312	3.8
224.09373	14.3
226.07266	5.8
227.08229	8.0
234.03941	4.4
235.04762	2.2
239.04715	2.1
239.08145	3.3
239.11870	36.4
240.10155	8.2
240.12328	2.3
241.10887	60.4
241.14381	3.2
242.11159	5.0
250.07350	2.3
253.06158	26.8
254.06766	7.0
255.07729	4.6
255.11337	10.5
265.09875	2.6
267.07629	11.0
268.08527	15.9
269.09012	2.6
271.07275	2.2
281.09329	11.1
283.10892	100.0
284.11374	10.4
309.08850	41.8
310.09113	4.8
313.07132	4.3
315.13663	2.9
325.07257	2.5
327.09863	90.9
328.09738	22.5
340.09409	2.9
341.11395	7.7
343.08112	3.3
343.11844	43.2
344.12122	4.5
353.07813	6.9
355.12042	3.5
359.12399	9.0
371.08844	97.8
372.09149	11.3
373.08997	13.1
373.13345	11.2
373.48834	2.5
374.09363	3.1
388.11676	19.9
403.11673	98.3
404.11145	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	401.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14766	0.8
56.48049	0.9
57.03311	1.7
58.00475	1.4
59.01257	16.1
59.27384	1.0
67.51302	0.8
69.44179	9.1
71.01268	6.8
72.99184	1.0
83.04916	1.3
85.02831	5.6
85.63474	0.8
89.02307	6.7
91.03886	30.0
91.04462	1.7
95.04908	1.7
97.02851	2.3
97.06483	6.1
102.25848	0.9
105.33815	0.8
108.13715	0.8
113.02316	1.4
127.11208	2.1
147.47084	1.0
155.10669	2.1
165.12772	2.0
171.10199	12.2
177.12790	1.5
183.13878	4.0
185.11815	2.4
193.12209	1.8
195.13852	3.5
209.11797	2.6
211.13354	30.6
212.13615	2.4
221.11803	4.1
227.12889	1.1
229.14415	21.6
239.07062	2.0
239.12877	2.9
272.97488	0.9
291.19672	15.1
292.19983	2.2
309.20697	15.1
310.21335	1.5
327.21780	100.0
328.22113	11.3
427.46167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85835	1.0
57.03314	3.5
58.00473	1.7
59.01256	24.0
67.84425	1.1
67.96409	1.1
68.99720	1.2
69.03314	1.6
69.84247	6.7
71.01254	8.2
71.80825	1.0
73.02827	2.3
75.00758	1.2
83.04896	1.1
85.02824	9.7
86.83363	1.0
89.02320	7.5
91.03886	27.2
93.03347	1.4
95.04890	2.4
96.95876	1.1
97.02835	1.3
97.06444	6.4
98.20470	1.6
99.00769	1.2
101.02316	2.3
113.02311	2.6
121.02854	21.1
122.03124	1.2
123.04410	3.4
125.09605	1.3
127.11164	2.3
137.09625	2.0
138.81819	1.1
149.02361	6.4
155.10692	1.4
161.02321	1.4
165.12811	3.0
167.14299	1.4
171.10211	16.5
177.01874	29.8
177.12823	2.6
178.02637	30.5
179.03404	5.1
183.13884	5.2
185.11772	2.4
191.03397	1.5
192.02510	1.7
192.04225	30.9
193.05013	20.0
194.05586	2.9
195.13911	6.0
197.11725	1.5
209.08241	5.3
209.11752	2.8
211.13353	20.6
212.13696	2.3
221.11800	3.1
227.12756	1.3
229.14445	15.0
239.12830	7.4
239.26874	1.1
283.19095	2.1
291.19632	10.2
292.20367	1.1
309.20737	11.4
313.07230	5.9
318.54062	1.1
327.21771	100.0
328.22064	12.0
357.06143	1.9
401.12299	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
56.02769	0.7
57.03318	4.2
58.00451	1.3
58.02848	18.0
59.01252	53.2
66.18363	0.7
69.26591	8.8
70.02849	11.6
71.01254	22.7
71.02360	0.9
72.00755	1.2
72.99162	1.6
73.02819	6.5
75.00729	2.4
83.01256	4.6
85.02821	12.3
87.00737	2.3
87.05513	1.9
89.02325	8.5
95.01251	1.3
95.02386	1.3
96.00791	11.9
96.13556	0.8
96.95886	1.6
97.06475	1.2
98.19719	1.1
99.00790	3.7
101.01692	1.5
101.02320	19.0
107.04946	4.8
107.05589	1.1
109.02831	1.8
110.39423	0.7
111.05502	2.8
112.03909	2.8
113.02332	8.9
113.03453	12.9
114.01862	15.8
119.03398	2.3
123.08063	3.3
125.02315	1.1
129.01799	1.3
129.06599	3.3
131.04521	25.6
135.02922	1.9
137.02348	1.2
138.03046	1.1
151.03908	3.0
155.04530	15.5
155.75226	0.7
159.02901	1.1
161.04485	6.0
166.02589	1.0
167.10715	3.8
173.05580	10.9
177.09161	1.0
177.12816	3.9
195.13828	1.1
209.11821	0.8
221.11766	4.7
226.25221	0.9
227.12877	4.4
235.08127	0.9
239.12772	1.8
249.06271	1.0
268.15518	1.6
274.25308	0.7
274.72769	0.8
286.16586	17.9
304.05658	0.8
323.16141	1.2
340.17612	1.8
341.17334	1.7
357.21371	0.8
371.13351	1.4
383.18201	10.7
384.17035	2.0
401.18530	100.0
402.18820	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01749	2.0
57.03326	7.6
57.86773	0.9
58.00470	1.8
58.02854	13.1
59.01255	81.9
69.76131	5.4
69.76547	2.4
70.02856	7.6
71.01260	39.7
72.99176	3.3
73.02828	11.7
73.40442	1.2
75.00745	2.6
75.90913	1.0
82.75265	1.1
83.01255	6.9
85.02826	20.8
87.00764	2.9
87.05515	1.1
89.02315	15.7
91.42430	1.2
95.01270	3.8
95.02351	1.3
96.00802	9.4
96.95914	2.5
97.02859	1.0
98.19790	1.6
99.00739	2.8
101.02326	28.8
107.04881	7.2
112.03956	1.8
113.02334	18.5
113.03468	10.0
114.01867	12.6
119.03399	6.2
123.08084	1.9
125.02352	2.6
125.95431	1.1
129.01831	1.3
129.06613	2.5
131.04509	19.0
135.02835	1.3
136.25166	1.1
137.02347	1.5
155.04544	13.0
159.02888	2.3
161.04457	10.2
165.01840	1.6
166.02617	2.4
167.10710	1.9
173.05646	6.8
177.12778	6.9
179.10777	1.6
195.13864	2.0
209.11804	1.0
221.11783	4.3
221.15352	1.0
227.12857	2.4
232.60313	1.2
235.08051	1.9
239.12794	1.3
247.55643	1.3
249.06215	1.6
262.94833	1.1
269.14059	1.1
286.16580	13.5
303.05246	1.8
323.16196	1.3
341.17279	2.2
371.13385	2.3
383.18320	7.5
401.18369	100.0
402.18784	11.5
407.05167	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01773	4.4
57.03316	9.5
59.00953	4.9
59.01254	100.0
66.62746	2.6
69.03349	6.7
71.01257	66.4
72.99190	10.5
73.02810	14.9
75.00751	10.0
76.66525	3.5
81.03356	3.8
83.01258	9.0
85.02827	36.3
87.00765	9.3
89.02324	38.0
95.01250	3.6
95.04913	16.3
95.73813	2.8
96.95896	4.1
97.06503	4.9
99.00764	8.1
101.02317	40.0
103.00336	2.8
105.01814	8.2
107.04897	3.8
109.02766	2.9
113.02336	21.6
113.74655	2.8
119.03400	11.1
121.06519	5.3
123.04414	12.2
123.08056	4.1
125.02374	3.2
126.42584	3.3
131.03397	12.2
132.58115	3.1
135.08081	4.4
159.02869	4.7
161.04474	12.8
161.05951	7.3
165.05553	3.4
166.06279	2.7
177.09106	30.1
179.07059	4.3
180.07903	3.6
181.08606	4.6
182.05852	3.2
191.39978	3.6
195.10158	4.0
197.08186	6.4
203.10710	3.8
214.40480	3.2
219.10294	3.9
221.08217	5.3
221.11815	8.3
239.09390	3.7
246.36172	3.9
269.10382	19.1
291.27881	3.2
300.05630	3.5
401.14359	44.4
402.14597	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	401.1816
Annotation	Spionoside B
Peak:m/z	Relative Intensity
55.01765	7.3
57.03311	11.5
59.01254	100.0
66.49035	4.2
69.86038	20.6
71.01255	87.0
71.04887	6.3
72.99190	11.8
73.02821	15.9
75.00741	3.8
80.77480	2.9
83.01266	8.0
85.02823	95.7
85.06445	6.2
87.00755	18.5
87.04409	17.7
89.02325	53.3
95.01262	5.2
95.04877	4.0
99.00743	6.7
99.04398	8.2
99.90988	3.7
101.02327	43.2
107.04915	10.7
108.02045	5.8
109.02856	8.0
111.00732	7.5
113.02316	24.5
113.05965	18.7
119.03381	25.1
119.42029	3.5
121.06496	5.8
123.04380	4.4
124.05195	4.8
125.05976	11.0
127.03928	22.0
129.01837	5.9
132.25609	3.5
135.08018	7.2
137.05946	7.4
139.07552	28.9
143.03450	4.4
147.02890	12.4
149.05997	6.3
149.09654	7.0
151.07582	8.8
151.11177	4.8
152.04648	4.7
153.08919	3.9
159.02820	5.7
161.04468	11.8
161.05760	4.6
161.09729	4.1
168.07785	10.8
177.09148	29.3
179.10725	8.6
180.07968	4.0
191.01897	17.1
191.10724	11.9
193.12296	7.8
195.10220	30.5
203.10687	5.2
209.02905	25.2
221.11772	66.4
223.06343	4.1
223.09723	51.0
224.10054	5.5
238.12018	7.7
239.12862	72.6
263.92575	3.9
281.50455	4.0
311.15097	5.3
383.17136	18.2
401.18140	58.1
402.18161	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	399.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74864	0.2
55.01511	0.3
55.01759	3.4
56.87790	0.2
57.03326	11.1
58.00470	0.6
59.01252	18.1
67.01762	0.7
68.99693	0.7
69.03335	3.0
70.60224	0.2
71.01256	69.6
71.04897	1.1
72.01595	0.9
72.02048	0.6
72.99189	2.5
73.02820	8.6
74.02312	0.2
75.00745	0.5
75.48866	0.2
81.03320	0.4
83.01260	12.3
83.04907	0.3
84.01611	0.3
84.02043	1.9
85.02826	60.4
85.99991	0.4
86.03162	1.0
87.00758	3.6
87.04391	31.1
88.04730	0.5
89.01759	0.4
89.02317	8.7
95.01267	19.4
96.01616	0.4
97.02838	1.9
98.20654	0.5
99.00758	12.5
100.01083	0.3
101.02328	10.4
102.02647	0.3
104.04926	0.5
109.06506	0.3
109.08130	0.2
111.00767	0.2
112.01553	2.3
113.02334	100.0
114.02669	3.1
115.03871	0.3
119.03405	0.3
123.08040	0.3
124.01569	0.4
125.02336	1.7
125.09601	0.5
129.01805	0.4
130.06537	0.2
131.03407	0.6
139.00316	1.1
139.11211	0.3
142.02708	0.3
143.03407	3.6
148.03975	0.6
149.04462	2.0
149.13295	0.4
151.11235	0.4
159.02902	0.9
160.03770	1.1
161.04465	5.1
167.14334	1.0
169.12273	1.7
171.16795	0.2
179.14323	2.5
180.14716	0.3
183.13829	1.3
185.15399	1.8
187.02391	0.3
197.15331	0.3
207.13931	0.2
211.16956	0.2
219.17503	0.2
223.13322	0.9
233.15372	0.6
255.19661	2.9
256.19928	0.3
295.10938	0.5
311.18649	0.8
332.26346	0.2
351.21500	0.2
355.13208	0.4
355.17441	0.2
369.22763	0.6
381.22708	0.3
397.22281	0.2
399.12677	1.4
399.23892	23.8
400.24252	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58010	14.3
53.74243	11.4
59.01258	26.2
71.01250	30.1
71.56234	15.8
71.56603	18.3
73.02812	16.6
76.56207	14.0
85.02840	25.0
87.00755	70.8
89.02330	29.0
93.02644	15.2
101.02287	18.5
123.00776	22.5
134.54547	12.9
138.03131	27.2
162.25183	12.9
163.03850	18.0
164.04665	18.8
165.05225	12.1
169.52725	13.7
173.14632	16.8
179.07095	40.7
182.02135	30.0
192.42926	14.2
197.04465	59.2
199.02708	13.1
207.06668	13.4
250.04704	12.6
260.22635	16.7
265.07181	65.5
277.07184	26.5
295.08234	49.9
325.09305	17.4
341.11014	34.7
401.11084	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	0.6
55.01759	8.6
57.03326	17.9
58.00471	7.2
59.01254	34.1
67.01775	1.1
68.94685	0.6
68.99703	4.1
69.00031	0.7
69.03331	16.7
69.27899	4.4
69.28326	2.2
71.01255	100.0
71.04893	4.2
72.01617	1.2
72.02039	0.9
72.99173	3.7
73.02821	81.5
74.03162	1.6
75.00739	0.7
78.39773	0.5
79.01751	0.6
81.03333	2.4
83.01261	30.1
83.04882	0.9
84.02057	2.6
85.02825	45.3
85.06495	0.7
85.99970	7.1
86.03162	1.2
87.00751	16.6
87.04391	44.7
88.04757	0.9
89.02319	12.2
91.06283	0.7
95.01264	18.4
97.02826	12.3
97.06455	0.9
98.20573	1.1
99.00758	20.0
99.04398	1.1
100.01546	2.0
101.02326	81.7
101.05972	1.1
102.02678	1.8
109.06481	0.7
111.00768	40.8
112.01589	10.1
113.02335	58.3
114.02665	1.5
115.00290	1.1
115.03899	0.7
115.07559	2.0
116.01062	1.7
118.50166	0.6
119.03400	1.8
123.00767	0.8
123.07983	0.7
124.01562	4.5
125.02348	16.8
127.07568	6.1
128.01010	1.0
129.01892	0.9
130.02660	0.7
131.03427	0.5
133.10130	2.8
137.09642	0.8
139.00253	0.6
139.11194	3.0
140.74873	0.6
141.01822	4.1
142.02612	3.7
143.03407	9.3
147.08069	0.8
149.04449	0.6
149.09633	0.6
149.13255	0.8
151.11218	4.2
153.12733	1.4
155.07059	1.8
157.01303	1.2
157.07376	0.6
158.02013	0.8
161.04514	2.9
167.10728	0.8
167.14345	2.4
169.12265	17.2
170.12741	1.4
179.14340	6.6
181.12346	2.9
181.83290	0.6
183.13828	4.1
185.13637	1.0
185.15341	4.8
189.12726	0.7
191.14276	1.0
195.06535	0.8
195.13791	1.2
197.15471	0.7
203.14302	1.4
211.16983	4.0
219.17526	0.9
220.74902	0.9
221.15485	2.2
223.13380	0.9
223.46794	0.6
227.16464	6.2
237.18588	0.8
239.16498	15.1
240.16827	1.5
251.16521	1.0
255.19632	11.9
255.22101	0.9
256.19955	0.8
267.15921	0.9
277.86810	0.6
279.19604	1.0
297.17325	1.1
297.20703	6.4
311.18549	2.2
314.03870	0.7
321.20816	1.2
325.20227	1.3
329.19733	12.2
330.20135	1.4
363.21811	1.0
381.22812	7.8
382.23352	0.9
399.23871	59.8
400.24216	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03328	2.4
58.00460	3.1
59.01252	49.5
71.01254	29.1
71.57761	2.2
71.97859	1.2
72.99179	3.5
75.00746	1.5
80.00989	1.1
81.63389	1.0
83.01260	2.2
83.04893	6.4
85.02821	7.9
87.00774	3.2
88.13313	1.2
89.02320	27.2
93.06963	5.5
95.01221	1.7
96.95907	1.8
99.00786	1.9
101.02315	16.7
108.53696	1.1
113.02330	11.2
117.06405	1.2
119.03429	7.9
119.04883	2.9
127.00259	3.4
127.16087	1.2
131.03365	2.2
133.10124	5.7
134.03697	1.9
145.02872	1.6
145.06467	8.2
149.04512	1.2
157.10118	1.9
158.07169	1.3
159.08069	6.6
160.08859	57.1
161.09200	2.7
163.03925	1.6
173.09628	11.0
175.11203	94.4
176.11566	4.7
184.05183	1.3
193.05009	3.1
217.74489	1.5
219.10222	100.0
220.10594	7.5
274.97485	1.2
302.22955	1.2
318.30655	1.5
319.65268	1.1
341.68405	1.4
399.16711	23.7
400.16733	7.1
404.83832	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01253	100.0
60.01590	1.5
69.38535	11.0
71.01260	18.1
72.99148	2.2
73.02822	3.3
75.00752	2.7
83.01251	3.9
85.02832	11.7
87.00757	3.2
87.04391	2.1
89.02319	6.5
95.01275	2.2
99.00772	3.3
101.02344	5.3
108.49984	1.3
109.58583	1.2
113.02332	18.9
125.02391	1.6
142.32324	1.4
143.03450	1.5
145.02881	2.7
149.04466	7.4
161.04416	1.8
161.64969	1.2
162.40999	1.5
166.25372	1.2
171.10181	1.5
223.13318	14.4
237.14929	1.9
267.12366	3.7
273.59360	1.5
281.04636	1.4
355.17972	1.8
399.16336	2.5
399.23813	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
59.01254	100.0
60.01605	0.7
60.25257	0.6
61.40058	0.7
61.88663	0.6
70.34573	2.9
71.01264	2.6
73.02831	0.8
74.02358	1.1
75.00814	0.9
83.01274	0.7
85.02827	1.9
89.82476	0.7
98.02374	0.9
98.20438	0.9
99.00795	0.7
111.00809	0.9
111.04428	0.7
151.07510	1.3
174.01932	0.8
195.06528	6.0
257.67667	0.7
260.07541	0.7
369.20505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.6
57.03325	16.4
58.00201	0.5
58.00466	5.1
59.01250	29.8
60.99165	0.5
65.03812	0.3
67.01750	1.0
68.99685	2.6
69.03325	14.8
71.01252	100.0
71.04886	2.9
71.37814	0.5
71.63911	0.3
72.01588	1.8
72.01994	0.7
72.99181	3.4
73.02817	75.2
74.03154	1.2
75.00738	1.1
79.01774	0.5
81.03335	3.5
83.01256	26.0
83.04896	1.0
84.01604	0.7
84.02047	3.0
85.02822	44.9
85.06465	0.8
85.99969	6.6
86.03162	0.6
87.00752	16.8
87.04388	41.5
88.01543	0.5
88.04724	1.0
89.02312	10.9
95.01264	16.3
95.04938	0.4
96.01624	0.3
97.02824	11.3
97.06446	0.8
99.00756	21.5
99.04399	0.6
100.01562	2.0
101.02321	80.9
101.05964	1.9
102.02650	1.2
107.04909	0.5
109.06483	0.5
109.99938	0.4
111.00761	40.3
111.08020	0.6
112.01574	8.3
112.98704	0.7
113.02328	60.1
113.05923	0.7
114.02660	1.2
115.00266	1.0
115.03903	1.4
115.07526	1.7
116.01056	1.7
117.01801	0.5
119.03380	2.4
122.06020	0.6
123.00793	0.5
123.08007	0.8
124.01556	4.5
125.02339	14.7
125.05951	0.5
125.09629	0.8
127.07553	4.2
128.01050	0.6
129.01804	0.7
130.02617	0.8
131.03366	1.0
133.10107	2.1
135.04381	0.3
135.07988	0.4
137.09593	0.4
139.00244	0.7
139.11176	3.4
141.01839	3.1
141.12843	0.4
142.02621	2.9
143.03395	8.2
149.04453	0.9
149.09619	0.7
149.13286	0.8
151.07544	0.4
151.11182	4.1
153.12737	1.5
155.07057	1.9
155.14337	1.1
157.01334	0.5
158.02126	0.9
159.02892	0.3
160.03714	0.4
161.04457	2.8
163.11185	0.5
165.12660	0.5
167.10719	0.6
167.14304	2.4
169.12253	19.1
170.12549	0.8
177.12729	0.4
178.04701	0.4
179.14343	5.0
180.14690	0.5
181.12244	3.8
183.13838	4.5
184.27071	0.3
185.13649	0.5
185.15413	4.3
195.06564	0.3
195.13873	0.9
197.15498	0.7
203.14334	1.2
209.15326	0.5
211.16982	4.2
219.17502	0.6
221.15396	2.6
223.13333	0.7
227.16463	7.2
229.14261	0.8
237.18660	0.8
239.16486	14.5
240.16811	1.0
251.16577	0.7
255.19629	11.8
256.20090	0.5
263.16562	0.3
267.12354	0.3
267.15970	0.9
279.19559	0.8
290.50858	0.3
293.17618	0.8
297.17212	0.9
297.20660	7.7
297.24100	0.4
298.21167	0.8
299.18594	1.0
309.59692	0.4
311.18674	1.9
321.20682	1.4
325.20239	1.3
327.17932	0.5
329.19678	12.4
330.20032	0.8
337.20215	1.1
351.21591	1.1
355.17612	0.8
363.21872	1.1
381.22781	6.6
382.23239	1.0
399.23865	58.1
400.24197	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.9
58.00478	2.8
59.01250	60.0
70.71396	3.6
71.01254	42.1
72.99182	9.8
73.02807	1.6
74.43568	1.3
75.00742	6.5
83.01243	2.4
83.04893	6.4
85.02807	11.1
87.00754	5.0
88.85927	1.4
89.02313	25.9
93.06966	3.9
95.01279	4.0
99.00737	2.4
101.02316	16.2
103.00256	2.0
105.01816	7.5
113.02314	15.3
119.03383	10.2
119.04869	2.3
121.06437	1.4
129.01820	3.4
133.10097	3.9
134.03603	3.9
135.02971	1.7
145.06482	6.1
149.05937	1.7
153.09131	2.3
159.08066	3.8
160.08842	41.2
161.04448	1.7
161.09164	2.1
173.09633	7.4
175.02438	3.1
175.11205	79.4
176.11499	6.4
193.03445	4.5
193.04907	2.6
195.10211	2.2
201.09160	3.4
205.12263	2.1
207.10176	1.8
213.78375	1.4
219.10213	100.0
220.10541	5.7
221.53990	1.6
237.12405	2.6
303.71368	1.4
315.25552	1.3
340.13962	2.4
372.20377	1.8
381.15170	1.6
399.16666	29.9
400.16470	6.4
413.79306	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01253	100.0
64.53072	0.8
67.19001	0.8
68.99699	1.2
69.03332	1.3
69.23231	4.3
69.23663	6.1
71.01250	12.1
72.99174	3.5
73.02797	2.1
74.02357	1.0
75.00753	6.3
81.03358	0.9
83.01251	1.7
85.02824	11.3
87.00748	5.2
89.02326	2.8
89.37985	0.8
93.03329	1.3
95.01263	2.5
97.02830	1.1
97.06474	0.9
99.00771	5.0
101.02311	2.5
104.05016	0.9
113.02334	11.1
117.01847	1.2
129.01883	1.2
134.06059	1.4
137.02348	1.8
148.03925	1.9
149.04503	2.8
149.05989	17.9
150.09645	6.6
160.03993	1.5
173.00800	1.4
193.12259	1.0
221.19051	2.1
223.13371	7.0
225.14851	1.0
249.06155	13.1
265.17990	1.4
267.12454	5.2
275.13129	6.8
281.13760	0.9
283.19110	1.9
295.10883	1.6
301.20279	2.6
339.13458	2.4
381.11899	1.1
399.12509	12.7
399.24487	1.0
400.16867	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.5
57.03314	4.0
58.00470	5.4
59.01253	100.0
60.01595	1.5
67.01762	1.0
68.99694	1.5
69.03335	6.4
71.01257	96.1
71.14166	1.1
72.01582	1.3
72.99192	8.7
73.02818	21.6
75.00746	2.5
81.02903	1.1
81.03342	4.1
83.01261	10.5
83.04879	0.9
85.02827	21.6
85.99973	2.0
86.33969	1.2
87.00751	19.8
89.02319	71.6
91.03888	2.6
93.03331	2.3
95.01281	7.2
97.02831	18.2
99.00759	6.5
101.02325	76.2
102.02675	1.5
103.03848	1.4
110.78327	1.0
111.00784	1.3
111.04407	2.8
112.01478	1.2
113.02337	30.6
115.03877	2.8
119.03392	27.9
121.02813	2.3
123.04427	1.1
124.01555	1.6
125.02351	23.4
126.02725	1.1
131.03392	3.5
133.04944	6.0
139.03925	3.6
141.01839	2.5
143.03398	11.4
149.04428	2.5
161.04465	15.0
167.03401	1.6
169.04967	1.3
179.05571	4.7
185.04297	1.4
199.06032	1.5
217.07097	3.4
221.06609	2.9
235.08191	26.4
235.10428	2.1
245.06627	1.6
253.09392	1.2
263.07733	2.4
277.09271	3.1
287.07782	2.4
305.08743	2.2
379.12463	2.5
397.13495	59.2
398.13821	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	397.1869
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
57.03318	1.2
57.44645	0.9
58.00457	2.1
59.01236	3.5
61.67892	1.0
65.28952	0.9
65.59251	1.3
65.68562	1.0
71.01263	1.7
71.57523	1.5
79.63906	1.1
87.00767	1.4
87.04391	4.2
88.13909	1.0
96.35625	1.0
96.95879	4.6
98.42350	1.1
107.96395	1.1
113.05981	8.3
113.61541	1.1
134.03604	5.9
137.09612	4.7
149.05986	1.9
161.48341	1.3
165.05521	3.0
178.02597	1.4
189.12805	1.7
191.14372	1.7
193.01318	1.2
193.04997	6.8
198.70885	1.1
205.42274	1.2
239.14644	1.5
243.17545	2.2
246.72833	1.1
257.15427	17.4
258.15753	2.0
261.11349	10.3
262.11450	1.3
271.17084	1.2
273.18604	14.5
275.16541	3.4
289.18243	1.3
291.19736	2.4
309.20804	4.9
335.18646	41.4
336.19034	4.6
353.19489	6.0
361.16293	1.7
379.17621	14.6
380.18188	2.2
397.18698	100.0
398.19000	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.5
59.01252	97.3
69.03320	4.2
69.38390	5.1
69.38808	19.1
71.01241	10.0
72.99182	13.4
75.00744	14.0
83.04903	5.0
85.02823	8.2
87.00766	4.0
89.02321	5.1
91.51609	2.9
95.04905	4.7
97.02823	5.6
97.06532	2.9
99.00764	14.4
101.02325	5.1
106.04106	3.4
107.04899	2.7
111.00784	4.4
111.04406	2.5
113.02350	5.4
113.99476	7.3
117.01830	5.0
121.06514	4.9
123.04382	3.4
125.02328	4.0
125.09566	5.0
135.02910	7.2
136.05164	3.1
145.94232	3.0
147.11714	2.5
149.04514	4.2
149.13301	4.1
165.12695	7.1
173.00845	3.3
174.01599	6.2
175.11212	21.1
175.23265	2.9
181.12265	7.6
183.13869	5.2
185.62503	3.0
191.10687	3.3
193.12291	74.9
194.12640	3.7
207.10243	14.4
208.53149	3.4
209.11882	14.9
211.13338	11.7
219.10229	37.1
223.13487	6.3
225.11266	39.8
225.14893	6.3
227.12830	12.1
235.13286	6.1
235.33484	2.8
237.11282	100.0
237.15024	11.4
238.11725	8.3
245.11728	4.3
251.12642	2.8
263.09149	13.2
263.12881	10.0
267.12228	5.2
281.10303	31.6
282.10541	3.9
283.11795	3.2
295.11758	4.2
299.11301	5.9
337.13052	4.2
339.10760	5.2
370.10858	3.8
381.11893	7.9
399.12448	4.4
399.16879	3.1
424.72266	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	397.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.9
59.01253	30.4
67.01760	2.0
68.99675	4.0
69.03321	4.5
70.54715	5.4
71.01254	31.1
72.99187	8.9
73.02811	5.1
74.84480	1.2
75.00751	27.6
83.01247	3.4
83.04893	2.1
85.02827	28.9
85.03317	1.0
87.00765	11.9
89.02325	9.1
93.03305	1.8
93.41869	1.3
95.01290	6.9
97.02832	3.0
99.00759	15.9
101.02318	3.9
103.00267	3.1
105.75007	1.3
111.00822	2.1
113.02332	33.4
115.00251	4.6
117.01842	5.6
119.04910	1.4
125.02335	1.9
127.04996	1.9
129.01817	2.4
131.59572	1.4
145.06088	3.7
147.04420	89.4
148.04834	2.4
149.05972	2.3
149.09642	2.8
151.00255	1.8
157.01334	2.2
166.66556	1.5
175.02383	4.3
193.05009	4.1
193.08597	1.5
231.05003	8.9
249.06137	100.0
250.06456	4.7
303.02182	1.5
316.09958	1.5
317.06641	2.6
337.09283	1.6
379.10379	2.1
388.91000	1.3
397.11359	46.5
397.19324	3.0
398.11679	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	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.8
71.01254	0.8
71.57287	0.6
75.00732	0.4
75.94407	0.3
89.02276	0.5
117.01820	0.6
133.00398	0.4
135.02863	0.7
200.98126	0.4
203.35358	0.4
219.19006	0.4
222.42487	0.4
245.26422	0.4
259.20621	0.7
277.21729	100.0
278.22049	10.1
395.24487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03322	4.3
58.00462	1.0
59.00951	1.6
59.01250	29.9
63.99401	0.7
66.22258	0.8
67.01762	1.5
68.99671	2.2
69.03316	2.5
71.01259	22.9
72.66342	0.7
72.99187	7.7
73.02818	3.3
73.76196	0.7
75.00746	26.8
81.03298	1.4
83.01250	1.8
85.02824	24.3
87.00758	9.2
89.02309	5.6
93.03325	1.8
95.01260	6.4
99.00749	14.1
101.02335	1.3
103.00252	3.0
106.06539	1.4
106.94016	0.8
109.02827	1.0
113.02333	30.6
115.00229	2.0
117.01806	4.8
119.04857	1.5
129.01837	2.5
147.04425	100.0
148.04735	4.9
150.05411	1.0
150.14801	0.7
157.01331	1.6
161.09460	0.9
175.02429	4.5
175.03796	1.0
187.11243	1.1
189.03944	1.3
219.83231	0.7
229.32480	0.9
231.05086	9.1
249.06136	67.4
250.06490	4.1
320.39087	0.9
337.09268	1.1
379.10428	2.9
397.11374	51.5
398.11853	4.8
411.36206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42848	56.9
69.16187	63.7
71.57572	100.0
116.72066	74.2
258.25220	63.7
265.62897	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01614	1.9
66.39671	1.6
69.44075	6.2
69.44501	7.1
71.01279	2.7
87.18335	1.4
89.02357	1.5
98.20504	3.5
127.00304	1.6
147.83533	1.5
161.04477	1.6
165.29419	1.3
169.27008	1.7
241.65520	1.4
293.16071	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	395.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09574	0.2
57.03309	0.3
59.01252	1.2
61.12368	0.2
63.17274	0.2
69.16949	0.2
71.01260	0.4
78.95765	0.5
79.95623	2.0
82.32725	0.2
85.02792	0.4
87.00771	0.2
96.95892	100.0
97.95840	0.3
98.19804	0.6
99.00807	0.2
101.02310	0.3
102.55617	0.2
113.02335	0.3
128.03397	0.2
141.39436	0.2
146.04550	0.2
149.99498	0.6
151.00294	0.4
161.04628	0.3
162.25566	0.2
165.01886	0.4
183.02904	0.5
199.13382	0.5
229.05119	0.2
248.90251	0.2
252.37695	0.2
257.04736	0.2
285.04019	0.3
292.06311	0.2
300.06290	1.6
304.77194	0.2
315.05106	0.3
315.08749	5.2
316.09137	0.6
395.21085	36.7
396.16321	0.2
396.21432	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	395.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39563	0.1
78.47121	0.2
79.95618	2.4
96.95897	100.0
97.95837	0.4
138.12733	0.2
158.15099	0.2
170.73936	0.2
229.41206	0.2
238.88274	0.2
395.21085	43.4
396.21368	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	395.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
59.01254	100.0
69.34226	11.9
71.01252	19.9
72.99170	1.2
73.02828	5.1
75.00749	2.5
79.50314	1.1
83.01267	2.7
85.02827	8.3
87.00751	2.1
88.79398	1.0
89.02319	8.3
96.95895	42.9
99.00764	2.3
101.02333	20.2
104.48175	1.1
113.02325	9.7
119.03398	2.9
124.65825	1.0
143.03403	1.7
145.02840	2.6
159.02888	3.0
161.04472	16.4
190.96638	17.6
205.03462	1.5
242.48059	1.1
262.72076	1.0
281.08289	1.2
323.18875	1.2
335.20779	26.8
336.21185	2.1
352.61826	1.1
368.68701	1.3
371.11053	1.2
395.16205	1.9
395.21021	22.4
396.21243	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	393.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.1
57.03329	1.3
58.00461	0.9
59.01250	100.0
60.01589	1.3
69.03362	0.5
70.89063	1.3
71.01254	28.5
72.01594	0.5
72.99192	1.9
73.02823	9.1
75.00763	1.3
83.01250	3.5
85.02818	7.9
86.03134	0.5
87.00768	1.5
89.02316	17.4
91.18176	0.4
95.01262	2.5
97.02804	0.8
99.00773	2.0
101.02322	19.6
102.02642	0.6
103.03884	1.2
113.02328	13.4
114.02689	0.7
119.03385	7.2
125.02330	1.2
129.01776	0.5
131.03436	1.0
143.03384	2.3
149.04544	0.7
159.02879	0.6
161.04456	5.2
171.13774	0.5
171.42526	0.4
179.05571	2.2
180.70816	0.5
184.47928	0.5
189.14890	11.4
189.16455	0.9
190.15088	0.5
209.56096	0.5
244.33051	0.5
303.25412	0.5
320.39374	0.5
333.19189	10.3
333.22879	0.5
334.19583	1.0
351.20215	32.7
352.20486	2.9
393.21506	3.8
393.26419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99191	1.1
51.99258	1.0
53.64856	1.1
57.03311	2.3
59.01254	29.3
61.98700	2.8
65.36864	1.0
69.03362	1.1
69.28426	12.6
83.04916	2.5
89.77567	1.1
97.02812	1.4
99.08038	2.7
99.92494	1.9
102.12839	1.1
105.51339	1.3
113.09597	2.8
121.10167	1.3
129.09117	3.5
139.11203	12.0
147.11708	3.3
163.11156	1.1
165.12776	4.0
169.12207	2.1
171.10187	12.9
181.12291	2.9
183.13910	1.4
185.11739	1.3
193.08359	12.1
193.12268	4.6
197.11743	6.3
199.13327	4.0
207.10117	2.5
211.13399	11.8
215.10529	4.8
232.45781	1.2
233.11563	56.8
234.12036	3.8
237.09926	1.3
251.11351	3.8
264.31619	1.4
268.55969	1.2
272.87183	1.4
279.10858	2.0
293.12500	8.8
293.21201	15.7
311.22287	100.0
312.22577	8.7
315.19617	2.3
333.19983	4.4
351.38135	1.5
355.58789	1.1
393.22458	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03336	0.8
58.00472	1.5
59.01254	100.0
60.01581	0.7
66.89430	0.4
66.92511	0.4
69.03341	0.6
71.01258	32.2
71.04920	1.3
72.01619	0.6
72.99191	1.7
73.02824	17.4
75.00742	0.7
79.95615	0.5
81.56554	0.4
83.01263	5.3
85.02829	7.3
85.03290	0.7
87.00776	1.8
89.02322	18.4
94.22620	0.4
95.01279	1.8
97.02828	0.6
99.00751	2.2
99.04391	0.5
101.02325	26.6
113.02341	12.9
113.03142	0.5
113.06012	0.7
119.03397	9.5
123.11181	0.4
125.02325	0.8
129.09108	0.6
131.03413	1.4
141.09177	1.6
143.03387	2.4
149.04535	1.0
151.00360	0.4
161.04468	7.3
162.04834	0.4
165.12700	0.4
171.13876	0.6
178.04697	0.5
179.05547	3.6
189.14896	8.4
189.16437	0.6
195.13843	1.2
203.05690	0.5
213.14941	0.8
255.16164	0.6
283.02551	0.6
298.04883	0.9
333.19171	2.2
342.72745	0.4
344.21796	0.4
351.20245	20.2
352.20728	2.1
393.21408	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03326	1.7
58.00483	1.3
59.01255	100.0
60.01575	1.3
69.50528	3.1
69.50938	1.5
71.01259	20.8
72.99198	0.7
73.02818	4.8
75.00768	0.7
83.01251	3.1
85.02827	8.6
87.00769	1.2
89.02322	10.5
95.01261	1.9
96.95918	0.7
97.02847	0.7
98.20524	0.8
99.00776	2.9
101.02325	14.0
113.02337	10.7
119.03400	3.4
129.01849	0.6
131.03558	0.8
143.03455	0.9
149.04526	1.2
150.03160	1.0
159.02930	1.0
161.04477	4.3
165.05527	1.0
166.08769	0.6
171.34698	0.6
179.05646	0.5
189.14944	6.3
190.05115	1.6
199.66113	0.5
213.10164	1.0
231.16109	0.8
245.14006	1.0
333.15829	1.0
333.19189	4.1
351.20242	18.8
352.20721	1.8
393.17227	1.2
393.21582	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03318	2.0
58.00465	1.4
59.01253	100.0
60.01579	1.4
70.02903	0.6
71.01257	25.7
71.57629	1.0
72.99203	1.4
73.02817	7.8
76.13789	0.6
78.58182	0.7
81.03351	0.7
83.01281	2.9
85.02824	10.5
87.00773	0.9
89.02319	15.4
95.01283	2.2
99.00771	3.6
101.02327	16.2
102.02687	0.7
113.02332	14.0
119.03385	5.7
125.02359	1.3
131.03484	1.1
143.03458	1.9
143.10732	0.9
149.04439	1.1
150.03133	1.6
161.04478	5.9
165.05562	1.5
179.05667	1.2
189.14893	10.5
190.05095	1.5
191.05486	1.0
197.04543	1.2
197.47192	0.6
333.19312	6.4
351.20242	23.1
352.20813	2.7
393.21585	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	391.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18627	1.3
52.42069	1.5
55.50585	1.5
58.02849	40.9
59.01251	18.7
61.19397	1.3
61.98700	2.7
70.02852	47.1
71.02382	5.1
86.02316	1.4
87.05518	6.3
95.02396	3.9
96.00792	45.7
99.92489	2.2
107.89313	1.6
111.01898	1.7
113.03456	28.8
114.01855	66.5
118.97083	1.5
125.52746	1.4
131.04520	42.1
140.50391	1.4
184.32817	1.4
213.28352	1.5
276.23300	6.6
302.24661	3.5
320.60297	1.6
329.25714	1.9
345.24802	1.7
347.27017	4.3
373.24976	88.3
374.25278	12.6
391.26025	100.0
392.26413	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	393.0287
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
59.01254	8.0
71.01241	1.4
73.02820	0.6
78.98222	0.4
85.02821	0.8
89.02296	0.8
92.66207	0.5
96.95871	1.2
98.20554	1.5
101.02324	1.1
109.02858	0.4
113.02332	0.9
161.04445	1.0
171.04366	0.9
175.00264	0.8
183.04416	2.2
199.03915	2.5
209.11729	1.4
211.03914	4.6
227.03499	6.8
231.06607	6.2
232.06905	0.5
239.03510	2.9
255.02989	28.9
256.03360	2.2
270.05347	3.3
279.46521	0.4
283.02487	25.9
284.02762	2.0
298.04828	74.9
299.05121	6.5
313.07184	100.0
314.07562	8.2
393.02914	8.6
393.15112	0.5
393.24728	0.5
394.03128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88913	0.6
59.01252	100.0
60.01582	0.9
69.25993	5.9
71.01245	0.9
85.02850	0.9
85.58138	0.4
96.95916	1.3
140.03876	0.5
145.02902	0.6
152.85545	0.5
192.71304	0.5
313.07288	2.0
393.19659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.3
71.01262	0.6
82.54368	0.4
96.95887	2.7
109.04851	0.4
183.13895	1.1
295.66565	0.5
330.99167	0.4
352.07190	0.4
352.70566	0.5
355.97504	0.4
393.19568	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03745	0.7
59.01252	100.0
60.01610	0.9
66.91788	0.7
69.01755	0.7
69.43524	6.8
118.11297	0.8
128.92160	0.8
149.99542	1.7
171.04515	0.9
213.05635	1.4
242.05908	1.7
279.19104	0.7
286.39151	0.7
297.04111	1.6
298.04834	16.2
299.05203	1.9
302.42688	0.7
313.07178	34.0
314.07535	5.2
365.41330	0.8
393.03043	1.8
393.19116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01587	0.9
69.33889	7.4
79.95617	0.7
83.58386	0.7
90.72182	0.8
92.46519	0.7
96.95867	3.5
97.13746	0.7
251.53160	0.7
280.99161	0.7
309.95236	0.8
369.58215	0.7
377.66263	0.7
393.19458	0.9
394.19312	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
57.96968	0.9
59.01254	26.9
63.80231	1.1
64.38848	0.8
65.03864	0.9
69.03307	2.1
70.86631	1.4
70.86967	1.6
73.02795	1.0
80.58447	1.1
83.04891	1.6
83.85427	0.9
90.65166	1.0
91.85254	0.9
93.06973	1.1
97.06460	1.1
99.77607	1.5
99.92477	2.1
109.06483	1.5
111.08046	17.5
115.91908	1.1
124.37641	0.9
127.07497	1.2
147.10687	1.0
147.11708	5.6
151.11304	1.6
153.12735	1.4
165.12811	7.0
167.10661	1.1
168.21471	1.0
169.12302	5.1
181.12247	1.3
197.11757	71.6
198.12103	4.4
199.13341	2.0
209.15529	1.3
211.13373	5.4
215.10551	8.5
217.00331	1.3
219.09950	5.9
227.12862	1.4
233.11552	100.0
234.11908	8.1
237.09825	1.7
249.13518	3.0
251.11360	6.8
251.73882	1.0
252.11633	1.2
263.20129	3.8
265.17935	2.1
279.10715	2.3
291.19705	12.2
292.19983	1.3
293.12393	13.1
294.12723	2.0
305.04935	1.8
309.10309	1.2
309.20715	40.2
310.21121	4.1
313.17847	3.9
331.18976	4.8
391.20517	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70832	3.4
59.01252	41.8
65.48552	3.4
69.03315	4.1
71.01249	5.7
71.15341	6.6
74.00575	3.6
90.41885	3.9
93.85252	3.9
97.02824	24.8
97.06443	3.9
99.92448	24.1
115.91975	8.5
163.02425	12.2
178.02448	4.4
210.01595	5.5
219.06512	4.8
261.11136	23.2
262.11871	76.3
291.19678	9.2
294.09912	5.7
309.20731	22.3
322.12796	33.8
323.12738	4.2
329.16022	11.0
331.17783	100.0
332.18048	13.4
349.18704	6.1
363.16284	5.1
374.11835	9.9
391.19730	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	391.2337
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01764	9.8
57.03330	7.1
58.00468	2.7
58.04435	0.6
59.01254	94.6
60.01576	1.3
68.99693	0.9
69.03337	2.1
70.98044	1.7
71.01254	100.0
72.01603	1.8
72.99193	5.1
73.02821	35.3
75.00763	2.3
81.03344	0.6
83.01260	18.2
83.04917	1.4
85.02825	51.2
85.99967	1.4
86.03160	1.3
87.00751	5.1
87.04446	0.6
89.02312	11.3
89.02835	0.8
95.01265	7.6
96.95915	0.6
97.02841	2.5
99.00758	15.7
101.02325	90.6
102.02676	1.7
104.34161	0.6
111.00767	4.3
113.02334	39.8
114.02678	0.7
119.03392	3.2
125.02337	2.5
125.79179	0.5
129.01846	4.0
131.03442	0.9
143.03406	5.6
147.91940	0.6
159.02905	13.4
161.04468	53.7
162.04803	1.6
165.03986	1.1
179.05574	1.3
205.03442	2.7
229.18027	11.7
243.12349	1.3
280.08667	0.6
319.21307	1.7
331.17587	0.7
391.23398	41.3
392.23730	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28502	0.9
59.01252	100.0
60.01613	1.2
73.02848	1.0
79.95629	1.3
85.49676	1.2
96.95897	15.6
113.02279	1.3
125.35680	1.2
151.02022	1.1
169.33324	0.9
177.41107	1.1
229.53685	1.5
230.89204	1.1
296.03235	2.0
312.15771	1.1
329.26773	1.1
391.17899	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32048	2.4
57.03327	3.6
59.01255	47.8
59.64990	2.5
69.03318	6.4
70.10295	12.2
76.01138	2.8
83.04873	2.5
91.30489	2.7
93.03333	2.7
97.02830	29.2
97.06435	3.3
98.20522	3.2
99.92457	6.1
111.08017	2.7
113.48685	2.5
115.83379	2.4
119.08570	6.1
137.09633	12.9
151.07512	12.3
151.11029	3.0
155.61459	2.7
163.11162	3.1
165.12801	7.3
171.10217	24.5
181.12279	3.3
185.11620	3.1
193.08397	8.2
195.10208	3.8
197.11844	3.9
205.08488	3.6
207.09982	24.5
207.13943	2.7
209.15413	7.7
217.00259	4.7
219.09953	4.1
233.11522	8.1
245.19022	5.2
247.20624	6.8
248.10379	5.0
255.09393	2.5
261.11093	3.7
273.18744	3.8
287.16229	10.5
291.19678	47.6
292.19971	5.7
294.09674	3.1
309.17203	6.7
309.20679	100.0
310.21014	11.0
313.14243	6.6
313.17828	37.3
314.18298	3.8
331.15210	16.4
331.18744	90.9
332.18845	8.7
391.19846	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13421	1.0
55.01739	1.3
57.03334	2.7
57.25849	1.3
59.01251	39.2
69.03344	2.2
70.83648	4.0
83.04915	2.4
93.03319	1.3
97.06451	2.1
97.45898	1.4
99.92466	5.3
108.03271	1.2
109.06470	1.6
111.08042	45.1
112.08372	1.8
116.92725	2.0
125.69273	1.3
127.07565	2.2
137.09673	1.6
147.11691	2.6
151.11218	6.1
153.12741	3.2
157.75600	1.5
165.12778	5.8
166.13213	1.4
169.12263	8.6
171.10138	1.5
181.12224	2.5
183.13814	1.7
197.11771	100.0
198.12112	7.3
199.13322	2.9
211.13394	9.0
215.10457	3.3
217.00578	1.2
217.08379	1.5
219.09975	82.1
220.10304	3.5
227.12694	1.6
231.10240	1.6
233.11571	43.4
234.11917	3.5
237.09776	1.7
249.13446	3.1
251.11385	12.3
263.20123	5.4
264.20389	1.5
265.18274	2.4
266.87289	1.4
273.18564	1.7
279.10895	3.0
281.05194	1.4
287.16293	2.6
291.19656	19.6
292.20059	2.4
293.12454	19.1
294.12698	1.9
305.04721	2.6
309.20700	76.0
310.20941	7.6
313.17944	2.5
323.05954	1.9
331.18875	24.9
332.19400	3.1
375.17807	1.8
391.19601	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38509	0.6
59.01251	100.0
60.01581	1.4
69.56537	1.1
69.56940	4.7
123.09906	0.8
144.61028	0.8
156.69872	0.7
189.65718	0.7
243.59024	0.7
247.55707	0.7
268.03738	1.8
296.03253	4.6
302.60678	0.8
311.05643	8.8
312.06110	1.7
391.01178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
58.00446	1.1
59.01254	100.0
62.56931	1.3
67.02792	1.1
71.01257	24.1
71.04890	2.0
71.57820	1.3
72.99183	2.8
73.02827	7.5
75.00753	1.6
83.01254	4.2
84.73055	1.1
85.02827	6.5
87.02621	1.8
89.02328	11.6
95.01281	1.9
97.02854	1.1
99.00700	1.5
101.02329	16.6
104.03438	1.3
111.00757	2.2
113.02349	8.6
119.03393	4.4
131.03372	1.4
143.03413	2.0
151.97424	1.3
161.04445	4.6
172.83241	1.1
179.05547	2.0
187.13374	5.7
245.17674	1.3
301.20239	1.9
319.21298	8.5
331.17792	2.2
349.18622	9.5
350.19171	1.7
379.05539	1.3
391.19672	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.4
57.03331	3.8
58.00466	1.7
59.01254	100.0
60.01579	0.7
63.24696	0.4
69.03336	0.8
71.01256	53.7
72.01615	0.9
72.99194	2.6
73.02822	18.5
75.00753	1.9
80.99810	0.4
83.01260	9.7
84.02036	0.4
85.02827	27.0
85.99944	0.9
87.00736	2.3
89.02318	10.0
95.01257	3.5
97.02847	1.3
97.06466	0.7
97.37265	0.5
98.20557	1.2
99.00755	8.4
101.02326	50.4
102.02682	1.2
103.94099	0.4
107.19408	0.4
110.54924	0.4
111.00783	1.7
113.02334	21.6
114.02677	0.5
119.03396	2.4
125.02345	1.6
127.27231	0.4
129.01851	1.5
129.07069	0.4
131.03401	0.5
139.00221	0.5
142.89355	0.5
143.03415	2.4
159.02911	5.8
161.04472	26.9
162.04761	0.5
165.04025	0.5
179.05629	0.6
181.12318	0.4
205.03487	1.6
229.18053	5.0
229.24898	0.5
243.12395	0.7
255.02908	0.8
282.09344	0.8
297.11487	1.2
319.21237	5.6
320.21771	0.5
331.17606	0.5
349.18774	0.5
359.11679	0.9
391.14313	2.0
391.23404	20.8
392.23663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
55.27213	0.5
57.03330	2.3
58.00484	1.5
59.01253	100.0
60.01588	1.5
68.99691	0.5
69.03334	1.0
71.01257	43.7
71.04903	0.5
71.57712	0.4
72.01587	0.6
72.99182	2.5
73.02824	17.1
75.00764	2.0
81.03333	0.6
83.01263	6.4
85.02829	17.1
86.03159	0.5
87.00753	12.1
87.04412	0.6
89.02321	13.4
89.02828	0.9
95.01266	3.4
97.02855	1.2
99.00767	4.8
101.02326	31.0
103.00248	0.6
111.00812	1.4
113.02340	15.6
115.07589	0.6
119.03409	4.4
125.02345	1.6
127.11243	0.7
129.01868	1.2
131.03433	0.8
141.09120	23.0
142.09459	0.6
143.03439	2.0
143.10683	3.2
145.02876	1.0
153.12781	1.5
159.02878	2.7
161.04469	15.4
167.10725	1.8
169.12378	0.7
179.05573	1.1
184.38161	0.5
185.11774	0.6
187.09727	0.7
187.13353	1.3
199.13376	1.9
249.06186	1.1
259.15643	1.3
305.44952	0.6
306.40347	0.6
331.17578	5.6
332.18124	0.6
349.18655	27.1
350.19086	2.7
391.16022	1.8
391.20483	0.8
391.23785	4.5
392.23996	1.0
411.96646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16170	20.5
59.01246	100.0
62.20204	27.1
68.20706	26.5
80.16351	22.8
98.19650	55.6
102.79022	25.0
113.09590	22.0
196.58383	27.2
259.63141	23.2
331.38120	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
58.00446	1.1
59.01254	100.0
62.56931	1.3
67.02792	1.1
71.01257	24.1
71.04890	2.0
71.57820	1.3
72.99183	2.8
73.02827	7.5
75.00753	1.6
83.01254	4.2
84.73055	1.1
85.02827	6.5
87.02621	1.8
89.02328	11.6
95.01281	1.9
97.02854	1.1
99.00700	1.5
101.02329	16.6
104.03438	1.3
111.00757	2.2
113.02349	8.6
119.03393	4.4
131.03372	1.4
143.03413	2.0
151.97424	1.3
161.04445	4.6
172.83241	1.1
179.05547	2.0
187.13374	5.7
245.17674	1.3
301.20239	1.9
319.21298	8.5
331.17792	2.2
349.18622	9.5
350.19171	1.7
379.05539	1.3
391.19672	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42518	0.6
55.01751	3.6
57.03321	1.8
58.00467	1.3
59.01255	100.0
60.01582	1.4
67.94176	0.7
69.41368	1.3
69.41783	6.3
71.01258	42.8
71.96725	0.7
72.99177	3.1
73.02827	15.2
75.00740	2.2
83.01255	6.9
83.88993	0.8
85.02834	15.5
85.99970	1.0
87.00752	10.6
89.02317	13.8
95.01285	4.2
96.95860	1.0
97.02797	1.1
99.00754	4.5
101.02327	30.5
103.00194	0.8
110.53738	0.7
111.00748	2.6
113.01624	1.2
113.02341	14.9
117.03257	0.7
119.03379	5.8
125.02290	1.8
127.11208	2.0
131.03427	0.8
141.09116	18.5
143.03412	2.5
143.10670	3.3
145.02850	2.5
153.12747	1.5
159.02876	3.6
161.04471	12.6
167.10625	1.0
179.05515	1.3
187.13309	1.4
199.13342	6.1
229.18015	1.0
230.18974	0.8
259.15497	1.7
331.17657	4.5
349.18661	20.6
350.19019	3.1
391.15686	1.5
391.23669	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08710	0.8
51.36958	0.9
59.01255	100.0
59.50043	0.9
62.69069	0.9
63.25438	1.0
69.42326	2.2
69.42734	7.0
71.01271	1.6
77.21721	1.0
81.86462	0.9
94.44981	1.0
96.95867	2.3
106.47285	0.8
158.99248	1.1
190.46979	0.9
191.24615	1.0
261.03049	0.9
332.99762	1.0
391.18500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34853	49.6
71.57276	70.3
72.50685	55.1
75.41663	47.4
80.96394	100.0
104.14317	70.6
114.52379	53.9
121.17847	49.7
151.35266	51.3
152.99550	53.6
153.21274	50.0
153.40387	55.2
207.94733	52.5
223.15048	66.0
357.97162	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25871	69.2
57.16373	56.4
59.01252	90.5
60.32222	53.4
75.20498	78.9
80.96416	93.3
85.21935	70.0
112.34496	65.3
152.99501	100.0
183.69597	65.6
217.38701	77.4
229.33633	73.2
284.98663	62.0
390.12292	72.1
390.19916	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
61.56866	7.6
63.09635	8.6
64.24270	6.1
69.73741	52.2
73.24100	7.8
84.53928	6.6
95.15664	6.8
109.02967	6.4
171.73607	6.6
188.64790	7.5
293.40363	7.4
302.60278	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99977	0.7
59.01255	100.0
60.01603	1.3
68.13653	0.6
70.89951	2.3
71.01247	0.9
75.95860	0.6
97.71996	0.7
101.02357	0.9
109.80358	0.7
113.02300	0.8
127.16105	0.7
165.12875	0.7
183.13881	1.9
227.12828	1.6
351.57410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03329	1.5
57.39945	0.8
59.01254	22.6
70.90028	2.3
71.01249	5.9
85.02827	1.1
89.02326	4.6
95.01284	1.3
101.02312	3.4
102.34286	0.9
111.08038	1.4
113.02343	5.6
119.03382	1.5
129.10614	0.8
130.67194	1.0
165.12772	23.2
166.13055	1.1
182.73907	0.8
183.13849	82.0
184.14172	4.2
197.15407	3.4
207.13893	2.4
209.11780	3.7
225.14909	2.3
227.12859	100.0
228.13190	7.0
240.37126	0.8
251.12929	5.1
269.13922	2.9
329.15970	1.3
389.17847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51981	0.8
55.01746	4.2
57.03334	5.0
58.00455	2.8
59.01253	99.9
60.01586	1.4
69.03326	2.1
70.14005	3.5
71.01256	52.3
71.04903	0.9
72.99171	2.5
73.02822	31.5
75.00756	2.1
80.06164	0.9
82.61272	0.8
83.01257	10.7
85.02820	12.5
86.29070	0.8
87.00754	7.1
89.02314	13.8
95.01260	2.7
97.02827	1.5
97.84777	1.0
99.00734	3.6
99.08040	2.5
101.02326	36.7
104.04979	1.3
111.00753	1.0
113.02335	13.0
119.03394	4.2
122.05999	1.0
124.01582	1.2
125.02338	2.2
131.03378	1.3
137.09612	2.0
141.09106	1.3
143.03389	2.3
161.04462	5.8
167.10710	11.9
171.21065	0.8
185.11780	14.4
227.16493	8.5
255.19620	3.7
257.17584	10.7
303.18109	2.2
317.19614	8.8
318.19662	1.0
329.16061	23.4
330.16507	1.5
347.17114	59.6
348.17331	4.6
357.10587	1.1
389.18164	100.0
390.18558	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	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.3
59.01253	53.7
66.92100	2.7
69.60613	2.7
70.14745	14.8
75.00764	14.0
81.03327	7.7
83.01258	11.7
87.84230	3.0
93.03362	5.0
95.04890	3.8
97.02808	6.6
97.06463	10.0
113.15429	3.4
121.02837	3.1
123.04392	11.1
123.08031	4.8
125.09636	19.1
135.07999	5.5
137.09616	11.8
157.04898	2.7
163.11218	22.7
165.12766	8.9
174.45294	2.6
181.12230	4.9
185.11754	15.3
191.10759	4.1
191.14409	14.4
207.10251	14.5
209.11780	78.3
210.12183	5.9
216.73993	2.7
225.11255	7.9
231.10008	53.6
232.10294	3.9
233.11554	5.6
245.19058	40.5
246.19638	2.9
247.20692	3.8
271.17108	6.0
289.18100	100.0
290.18481	6.9
291.12344	3.2
291.19659	32.6
292.20016	4.1
307.19168	49.0
308.19498	4.6
317.17331	6.9
329.17249	12.2
356.69562	3.2
389.19589	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	389.1644
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
59.01251	12.8
71.57514	2.3
75.00729	1.4
90.97008	2.1
93.03349	6.7
107.04904	1.4
121.06460	1.1
123.07946	1.2
132.98073	3.8
147.08099	2.1
162.31703	1.6
174.99167	7.8
181.01761	1.2
186.99339	1.2
190.22014	1.2
209.01276	1.9
223.02885	1.4
223.99954	3.0
262.30573	1.2
263.02249	3.8
291.09308	1.6
325.11270	1.6
327.12808	2.1
343.12341	2.5
345.13855	6.4
347.15225	4.3
389.16446	100.0
390.16840	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01758	1.1
57.03315	1.2
58.00471	1.4
59.01253	47.7
60.01587	0.6
70.08289	2.4
71.01256	22.1
72.99187	1.6
73.02830	1.2
83.01250	1.5
85.02816	4.6
87.00777	0.7
89.02317	20.0
91.87849	0.5
95.01275	2.1
100.79311	0.6
101.02322	14.6
102.02690	0.7
113.02345	6.7
119.03390	7.5
129.97545	0.5
131.03426	0.8
147.11713	1.8
149.04488	0.7
179.05476	0.7
209.11794	14.9
210.12059	1.1
227.12875	1.0
358.26489	0.6
371.17084	1.0
389.18173	100.0
390.18515	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90540	26.6
59.01252	100.0
70.00880	28.6
71.57601	45.5
71.57964	31.1
74.64930	26.2
90.37399	27.3
147.89406	29.0
148.71596	32.2
329.85220	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00531	1.5
55.01759	1.9
56.88846	1.4
58.68566	1.5
59.01255	26.6
70.61506	1.3
70.89497	4.6
71.00954	1.8
71.01269	21.6
73.02839	6.0
83.01254	2.7
85.02839	7.0
88.96631	1.4
89.02340	7.9
95.01295	1.7
99.00757	2.7
101.02321	15.2
113.02345	7.7
119.03416	4.0
121.02895	1.5
122.06023	4.8
132.04483	2.7
144.04440	13.1
149.02377	3.8
150.03201	1.9
160.03899	3.2
161.04501	4.7
162.05554	7.7
165.05426	2.0
172.03989	4.9
176.03386	1.7
176.07030	2.2
179.05649	1.4
180.06590	2.6
188.03433	3.8
190.05043	3.7
193.05119	1.8
202.05037	9.9
203.05847	5.2
204.06673	2.5
206.04601	12.1
209.02002	9.8
210.07767	2.1
211.08748	2.8
220.06134	21.1
221.06940	2.3
224.09566	5.6
227.07065	7.2
227.11931	2.9
236.09476	8.5
237.06267	1.8
238.07504	5.5
239.08199	7.0
239.11928	4.9
250.07170	2.3
251.08284	5.3
251.11919	13.3
252.10233	7.4
253.09732	8.2
265.06241	8.1
265.09775	3.4
266.06918	9.5
267.07922	2.8
267.11395	11.8
268.11938	2.3
269.12961	3.1
271.10831	2.1
277.09839	3.5
277.94308	1.5
279.07724	13.7
280.08551	40.7
281.08878	4.1
283.07339	2.4
283.10962	3.3
284.13052	1.9
293.09232	2.8
295.10886	100.0
296.11200	11.2
313.11932	48.2
314.12357	4.9
321.08740	2.7
327.09961	1.5
327.13467	44.6
328.13965	4.3
339.09900	20.9
345.14581	9.4
357.10962	32.3
358.11295	3.4
371.12537	19.4
389.13596	71.6
389.18005	3.9
389.21796	3.7
390.13950	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	389.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15953	1.2
53.12724	1.1
57.03326	2.1
59.01255	18.4
69.78148	4.6
69.78577	4.0
71.01260	14.8
71.04909	1.5
73.02811	3.9
78.94224	1.2
83.01260	2.0
85.02834	6.9
89.02322	7.9
92.11613	1.2
95.01267	1.8
98.19747	1.5
99.00761	1.6
101.02332	11.6
106.10300	1.2
113.02328	5.4
119.03394	4.8
122.06010	4.7
144.04489	6.5
148.03928	1.8
160.03943	2.7
161.04469	4.6
162.05519	5.5
172.03958	4.0
178.99707	1.4
188.03485	2.9
190.05054	3.3
202.05074	4.0
203.05791	2.0
206.04510	6.9
211.08635	2.3
220.06200	6.7
224.09300	2.9
224.11154	1.6
227.11957	2.3
234.08171	1.6
236.09560	3.8
237.10083	1.4
238.07381	3.1
239.08170	4.9
239.11888	6.0
241.09694	1.5
241.14378	2.6
251.08250	4.7
251.11816	10.9
252.09113	4.7
252.10257	6.6
253.06058	2.0
253.09955	6.2
264.08856	1.2
265.06210	7.6
265.09818	3.1
266.06918	7.7
267.07773	3.7
267.11386	14.4
269.09488	1.2
269.12823	2.8
277.09885	4.1
279.07755	11.0
280.08539	44.7
281.08966	2.9
283.07245	2.0
283.10913	4.0
284.12909	1.6
295.10895	100.0
296.11230	10.7
297.08887	1.5
311.10577	1.6
313.08569	2.3
313.11954	46.8
314.12329	3.9
321.08691	2.8
327.13516	35.5
328.13940	3.3
339.09882	38.7
340.10120	2.5
345.14536	8.0
357.10934	33.8
358.11380	3.8
371.12390	15.8
372.12946	1.6
389.13553	89.6
390.13873	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00460	1.4
59.01254	100.0
60.01591	1.7
71.01257	20.7
81.92303	1.4
85.02824	5.1
89.02318	21.6
100.52686	1.5
101.02337	13.5
104.59566	1.3
113.02351	7.6
119.03386	5.9
123.22405	1.3
123.89523	1.5
131.01149	1.3
163.11243	7.7
163.12303	1.3
185.95438	1.4
207.10225	13.1
214.33807	1.3
298.84906	1.3
387.16617	60.7
388.16968	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.0
55.83596	0.8
57.03320	2.9
57.52622	0.8
58.00464	2.0
59.01253	100.0
65.39471	0.9
69.03316	2.7
70.78844	2.6
71.01256	58.6
72.99189	2.7
73.02821	55.2
75.00757	4.2
79.95616	6.3
80.96384	10.5
81.03339	1.2
83.01259	17.3
84.79129	0.8
85.02339	1.3
85.02826	15.7
87.00758	4.6
89.02322	13.4
94.97974	2.4
95.01273	2.7
97.02856	1.7
99.00752	4.1
101.02327	49.6
103.62244	0.7
106.97973	0.8
113.02332	19.8
115.32757	0.9
117.01828	0.9
118.50130	0.8
119.03435	5.0
121.10120	10.2
125.02330	2.9
131.03384	2.0
136.01549	5.2
137.02373	1.3
137.64705	0.8
139.11084	0.9
143.03430	2.2
148.99077	1.0
149.04396	1.6
151.00218	1.1
151.03908	5.8
152.98491	1.0
155.03535	1.4
159.02899	1.1
159.04292	1.0
161.04451	8.9
164.98567	1.6
165.09160	10.9
165.12781	1.5
166.02621	2.3
177.05550	2.1
181.04987	3.2
183.10184	1.5
188.34639	0.9
203.07187	1.1
221.08151	2.2
225.00670	2.3
225.14949	1.4
241.00113	0.9
249.06091	1.1
263.08636	6.6
267.07065	1.8
299.04480	0.9
301.16534	2.0
309.83163	0.9
311.10327	3.7
327.14444	3.4
345.15549	7.2
355.09570	1.3
357.10031	1.3
371.06357	0.9
372.12485	1.0
387.16617	25.9
387.24185	1.3
387.28809	2.0
388.12112	3.4
388.16949	3.1
409.23041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.1
57.03318	7.8
58.00474	4.9
59.01252	100.0
60.01588	1.6
66.12576	0.6
69.03343	1.2
69.59880	1.8
69.60310	2.9
71.01254	96.1
72.01605	1.4
72.66003	0.6
72.99176	7.0
73.02818	15.0
73.03935	0.9
74.02319	0.8
75.00748	1.8
77.71247	0.6
83.01260	9.8
85.02826	30.8
87.00744	5.5
89.02319	68.0
90.02647	1.0
93.03345	2.4
95.01271	7.1
97.02830	1.5
99.00764	6.6
101.02324	66.4
102.02685	1.5
109.06481	1.1
111.00741	1.0
113.02326	36.8
114.02686	1.0
118.04999	1.8
119.03392	33.5
120.01145	0.8
120.03728	0.8
121.02842	0.8
122.03227	0.9
123.08058	1.3
125.02327	1.2
129.01837	1.3
131.03423	3.5
137.02356	4.7
137.09616	0.9
143.03406	6.7
149.04478	2.5
149.09715	0.7
153.58051	0.7
159.02943	5.1
161.04472	21.0
161.05815	1.1
162.04814	0.6
163.11194	0.9
175.08299	2.0
179.05519	4.9
189.12834	1.9
192.11476	0.8
195.13834	3.5
205.03426	1.2
207.10309	0.9
207.13852	5.2
225.14926	7.0
256.20218	0.9
387.16400	3.3
387.20370	26.5
388.20621	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02321	27.6
59.01254	100.0
71.01272	38.1
73.38387	36.2
78.81204	26.8
80.29157	29.1
118.25699	32.6
135.32729	37.3
197.17546	34.9
200.93484	30.6
324.78232	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20464	19.6
55.64289	21.0
56.50949	18.9
57.07276	22.6
59.01252	100.0
64.60526	22.3
71.48986	39.5
86.17747	20.4
87.82687	19.6
89.40567	19.1
101.02305	28.1
104.44724	21.9
109.56198	21.8
199.03114	20.1
223.76083	25.2
295.68481	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	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01244	2.4
64.99231	0.5
71.01258	1.1
71.57559	0.9
85.02826	2.4
89.02312	0.6
91.03876	2.0
113.09617	0.6
114.02188	0.5
115.07520	1.4
121.02862	2.7
128.08351	0.5
136.44531	0.5
167.14359	4.2
171.10164	0.7
181.12175	0.5
183.12386	0.6
183.13869	2.3
195.13832	11.2
196.14233	0.7
209.03021	0.8
211.13339	1.4
213.14880	1.3
242.15109	1.0
249.22150	0.9
264.12796	0.6
275.20023	0.7
283.22772	0.8
288.18167	0.6
293.21225	9.1
294.21573	1.1
311.22278	100.0
312.22659	9.7
313.07346	0.7
385.25894	0.6
396.79959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64740	0.4
59.01258	4.5
63.84069	0.4
67.01772	0.5
69.03330	0.7
69.99465	2.2
70.37689	0.3
71.01256	1.9
73.02828	0.6
81.03349	0.4
84.02023	0.6
85.02837	1.1
89.02338	1.3
93.03337	1.0
95.01266	1.3
96.52856	0.4
101.02323	1.5
102.31622	0.4
107.04915	0.8
108.02059	3.1
109.02856	4.2
111.00798	0.6
113.02343	0.6
121.02853	5.7
122.03668	2.3
123.00788	4.6
123.04386	0.9
124.01550	0.5
125.02363	1.3
131.04843	0.4
134.03629	0.9
135.02859	0.5
135.04436	0.5
135.70895	0.4
136.01566	81.5
137.02382	17.4
138.02644	0.7
138.27722	0.4
139.00235	0.7
139.03911	0.8
147.04385	0.7
149.02344	2.2
149.05981	1.2
150.03133	0.8
151.00296	19.2
151.03918	100.0
152.00964	1.4
152.04308	4.7
154.02608	0.7
157.84457	0.5
159.04414	1.4
160.05214	2.3
161.02393	0.6
161.05786	0.5
162.03123	2.1
163.03934	1.7
164.04733	0.5
165.01860	1.0
166.02637	43.3
167.03200	3.1
175.03969	1.1
175.07578	1.7
177.01869	3.2
177.05542	1.6
178.02573	0.8
179.03407	1.1
179.06996	0.6
181.04993	59.1
182.05319	2.1
184.03694	0.9
187.04005	0.7
188.04733	0.6
189.05589	1.1
190.02902	0.5
190.06264	0.5
191.03409	1.0
192.04242	0.7
193.04982	0.8
195.02884	1.0
197.30727	0.4
202.02615	0.4
203.03487	0.9
203.07079	0.6
204.04340	0.6
205.04982	1.3
205.08640	1.6
207.06476	0.9
209.04506	0.6
219.06538	0.8
221.04668	0.6
284.06973	0.6
286.08469	0.6
299.09314	0.9
311.09381	0.6
326.11523	0.5
327.08621	0.9
328.09286	0.4
329.10294	4.1
330.10452	0.6
341.13858	1.7
355.09149	0.5
357.09811	22.0
358.10095	1.3
372.12140	15.4
373.12463	1.5
387.14520	33.4
388.14896	4.6
393.85284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
58.00472	1.7
58.00757	0.5
59.01254	100.0
60.01600	1.5
61.07066	0.5
66.85300	0.5
69.61385	2.7
69.61802	1.5
71.01257	19.2
72.99193	1.5
73.02813	0.8
83.01270	2.0
85.02821	4.8
89.02319	20.4
95.01266	1.1
99.00792	0.7
101.02328	13.1
109.06526	0.5
113.02331	6.7
118.44066	0.5
119.03399	7.0
161.04465	0.6
163.11197	7.2
188.16771	0.5
207.10220	15.6
208.10492	1.0
324.79688	0.5
334.87646	0.6
387.16620	76.5
388.16895	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03323	2.0
58.00478	2.4
59.01250	100.0
60.01603	1.2
71.01253	47.9
71.44456	0.9
72.01593	0.7
72.99179	4.5
73.02814	4.5
79.67182	0.5
83.01248	3.4
85.02821	12.6
87.00735	2.2
89.02317	42.6
90.02657	1.0
95.01277	3.1
97.02837	0.9
99.00758	2.0
101.02325	30.3
101.55724	0.4
102.02683	1.0
106.61374	0.4
113.02326	18.7
119.03383	17.9
120.03740	0.9
123.08051	0.5
131.03421	2.1
143.03380	2.6
147.08031	0.4
149.04474	1.0
154.95195	0.4
159.02884	1.3
161.04460	6.9
163.11192	8.5
164.11534	0.5
179.05544	4.1
195.13889	0.6
207.10243	2.8
209.11717	0.6
225.11285	0.7
225.14903	1.5
269.14221	0.5
387.16501	37.7
388.16800	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	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.03305	0.8
59.01255	5.2
60.62727	0.5
71.01245	2.3
71.04865	0.7
71.57663	1.1
77.40093	0.5
85.02818	3.8
89.02314	2.4
91.03890	3.0
96.54379	0.5
121.02943	0.6
122.03647	1.6
125.02418	0.6
126.03084	0.7
152.69926	0.6
165.50865	0.5
167.14311	3.1
181.12297	0.7
191.01917	1.1
193.15787	1.3
207.17447	1.1
209.02977	0.9
211.13359	0.8
223.20598	2.1
224.12271	0.8
231.17465	0.7
233.15460	1.2
249.18584	7.8
250.18710	0.9
261.82700	0.6
267.19656	100.0
268.19971	9.0
275.16522	12.4
276.16870	1.0
293.17603	70.6
294.17880	6.9
311.18649	14.6
311.22101	0.9
338.33508	0.6
367.21237	7.1
368.21506	0.7
385.22314	45.5
386.22678	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64575	0.6
57.03299	1.0
58.98923	0.6
59.01247	3.6
70.54610	0.7
71.57738	0.9
76.53459	0.6
80.80739	0.7
85.02831	2.4
91.03896	1.7
107.01265	0.7
115.07551	1.3
118.25081	0.7
121.02844	0.9
131.08171	1.1
148.30711	0.7
167.14322	3.0
183.13846	2.1
195.13852	11.4
196.14140	0.9
211.13301	0.8
213.14900	1.0
242.15201	1.2
249.22252	1.1
267.23431	1.0
287.05609	1.6
293.21240	10.9
294.21628	1.3
311.22281	100.0
312.22617	9.9
385.23584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48230	1.1
57.03324	2.0
59.01250	8.8
71.01250	3.0
74.24723	1.2
83.04911	1.6
85.02835	4.9
89.02317	3.1
91.03884	15.1
99.08002	1.6
113.09603	3.1
115.59459	1.3
129.09135	4.2
139.11166	1.7
148.40596	1.3
169.12347	2.2
171.10101	6.2
181.12299	4.6
183.13867	2.5
193.12267	3.0
197.11729	5.9
199.13341	4.1
203.25868	1.7
211.13329	13.6
212.13893	1.4
247.02373	1.6
293.21170	12.3
311.22284	100.0
312.22626	11.5
385.25864	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12283	1.2
55.01751	3.6
56.25588	1.1
57.03322	11.9
58.00458	4.1
59.01252	100.0
60.01568	1.6
63.24258	1.1
63.30584	1.0
66.68746	0.9
67.90775	0.9
69.59131	2.3
69.59541	4.8
71.01254	99.0
72.01585	1.3
72.99184	7.4
73.02819	13.7
75.00732	1.5
83.01252	8.1
83.04897	1.1
84.02099	1.0
85.02827	33.7
86.03119	1.2
87.00756	15.6
89.02318	85.1
90.02648	1.3
95.01244	7.2
95.04890	1.7
96.95914	1.7
97.02836	5.1
98.20615	1.7
99.00758	7.7
101.02325	64.3
105.06973	1.5
108.05678	2.3
109.02785	1.2
111.00760	2.9
111.04441	1.5
113.02337	42.9
113.05933	2.1
115.03876	1.1
119.03388	39.2
120.03733	1.3
121.02843	3.5
123.08025	6.1
125.02333	2.7
125.05962	1.3
129.01863	1.5
131.03366	2.5
136.05162	5.5
137.06030	1.3
138.06752	12.0
139.07600	6.1
143.03410	9.0
149.04486	2.6
149.06047	1.2
150.06805	1.1
151.07565	12.3
152.07208	1.8
152.08339	25.1
153.09131	52.0
154.09451	2.6
159.02882	6.5
161.04474	31.2
161.05806	1.5
162.04700	1.6
163.07521	1.4
163.11203	2.9
165.09103	1.7
167.06932	1.4
175.00218	2.7
179.05540	9.8
179.10629	1.8
180.07802	2.4
181.08630	6.6
187.11243	1.2
190.02623	6.4
191.01814	1.6
205.03513	1.2
205.05022	10.5
205.12279	19.4
207.13837	1.2
209.03017	1.4
223.13376	7.0
237.11324	4.2
241.14384	1.6
315.14459	13.5
327.14459	8.2
367.17532	5.4
385.18683	6.6
391.07413	1.1
399.41794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39969	2.0
57.03320	6.7
58.18078	2.0
59.01254	76.2
69.32970	5.2
69.33379	16.5
71.01251	14.5
72.99187	12.4
73.02827	5.4
75.00745	29.7
78.27142	2.2
83.04881	3.0
85.02825	10.2
87.00756	2.6
89.02327	4.1
99.00756	10.5
101.02310	3.9
111.00805	2.6
112.98694	12.3
115.00227	4.4
117.01833	5.0
135.02882	100.0
137.02339	3.3
137.99055	2.3
142.99754	18.4
149.23282	2.4
156.00580	3.0
163.11186	2.3
173.00827	9.5
174.01624	48.9
175.02303	3.0
195.13795	3.0
205.12283	5.5
207.13896	2.6
211.13336	17.3
219.13754	2.9
223.13324	42.6
224.13725	2.6
237.14828	2.8
263.12863	7.6
267.12338	21.4
281.14005	3.3
307.11752	6.1
323.15085	2.4
325.12949	3.7
343.21387	5.6
355.14053	4.7
367.13980	8.8
385.14969	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.0
57.03316	7.6
58.00462	2.1
59.01253	29.9
64.06449	1.7
69.03331	1.8
69.74021	9.6
71.01255	100.0
72.99192	5.2
73.02822	25.6
75.00751	3.6
83.01263	13.3
85.02828	54.5
87.00756	4.1
89.02318	8.4
95.01273	8.4
97.02837	1.7
99.00750	12.7
101.02324	50.1
111.00726	2.2
112.98724	2.0
113.02332	42.8
125.02328	2.1
128.31946	1.6
129.01828	3.4
130.42189	1.5
137.02367	4.5
142.99803	4.0
143.03404	4.6
147.02817	2.8
159.02946	7.4
161.04465	36.2
165.01865	3.5
174.01620	15.7
179.14365	10.2
183.13933	1.6
186.69292	1.4
191.01968	3.4
209.03101	2.3
211.13390	3.7
223.13396	7.0
225.05392	2.3
226.93777	1.6
241.08571	1.8
260.12692	2.7
267.12344	2.1
280.59683	1.7
292.32394	1.6
325.20026	1.7
355.08539	2.7
357.65747	1.5
367.13736	2.1
385.13330	3.2
385.18597	9.6
405.26910	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61067	1.8
57.03332	4.3
59.01243	9.9
61.98711	2.8
64.19427	1.8
69.78000	3.7
69.78405	10.3
71.01247	11.3
72.99188	18.3
73.02834	2.3
73.03213	1.8
75.00759	2.4
82.97219	2.3
83.01293	3.6
83.04941	4.1
85.02827	7.6
87.00755	4.2
99.00749	14.1
100.77277	1.8
101.02351	2.4
111.00797	4.0
112.98692	18.1
115.00258	4.7
117.01857	4.4
124.98687	2.5
125.95939	1.9
137.02327	1.9
142.99789	35.6
145.01413	1.9
156.00581	7.1
158.50208	1.7
161.04414	2.0
173.00850	18.9
174.01628	100.0
175.02306	6.6
179.14308	3.0
183.13846	4.4
193.12238	1.8
195.13924	5.4
205.12299	8.8
211.13362	27.2
218.92188	1.9
221.11855	2.0
223.13368	35.4
223.15367	3.3
233.11792	2.7
235.13437	2.9
237.11377	3.1
237.14912	3.7
244.86475	1.8
245.11823	3.6
249.11282	1.9
251.12848	3.2
263.12781	9.1
266.19958	2.0
266.66589	1.9
267.12393	29.4
268.12729	2.9
279.12265	2.5
281.13858	3.0
285.13406	3.1
293.13916	3.4
307.11899	13.3
325.12964	5.2
349.13004	4.8
367.14032	24.4
385.14981	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01254	32.5
61.04305	0.4
71.01266	3.0
71.45146	1.1
72.99183	1.5
73.02837	0.6
73.82977	0.4
75.00749	23.1
78.28997	0.4
83.04918	0.8
85.02827	1.8
87.00771	0.8
89.02316	5.5
101.02287	0.7
113.02256	0.6
117.01825	1.9
121.06460	0.7
135.02895	100.0
136.03276	1.7
161.13193	0.9
163.11324	0.7
174.01596	1.4
179.10696	5.3
211.13327	0.6
223.09761	1.5
223.13344	19.6
224.13704	1.5
225.93387	0.5
267.12369	3.8
311.15021	0.7
367.14087	0.6
385.15103	4.7
409.63379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	5.2
59.01250	38.5
69.25684	29.5
71.01256	12.4
72.99181	24.2
75.00751	3.7
76.46156	2.4
83.01250	4.9
83.04917	5.0
85.02818	9.5
89.02324	3.7
95.04908	4.4
99.00757	15.6
111.00751	4.4
112.98701	25.2
115.00277	5.0
124.98685	3.4
129.01779	3.3
135.02885	9.5
136.41316	2.8
142.99768	35.8
147.04420	3.6
153.09186	2.8
156.00502	3.3
157.72900	2.6
164.07153	6.5
165.01900	3.7
173.00868	16.6
174.01617	100.0
175.02344	4.2
177.09117	3.7
195.13983	4.6
203.80797	3.0
205.12245	9.3
207.13866	5.5
211.13350	29.3
219.13890	4.9
223.13351	48.2
237.14915	2.9
245.11534	4.0
251.12959	3.4
263.12857	12.5
267.12372	35.4
281.13998	4.0
285.13135	2.8
293.14096	3.7
307.11829	7.0
325.12811	5.5
343.21176	4.1
345.45526	3.0
367.14264	14.1
368.13751	2.7
385.14813	9.8
386.16022	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01590	1.5
69.81418	3.3
71.01274	2.3
72.99161	0.7
73.02853	1.0
85.02831	1.8
89.02350	1.4
92.46576	0.5
101.02339	1.5
113.02396	0.8
135.02963	1.6
142.99841	0.6
174.01668	2.0
195.83549	0.5
201.02281	0.6
211.13332	0.8
223.13370	1.4
267.12512	0.8
277.18713	0.7
292.45187	0.5
304.42847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22503	1.2
57.03319	1.9
57.77676	1.3
59.01251	47.7
68.80474	1.3
71.01248	4.2
71.44849	2.5
72.99170	4.7
75.00356	2.1
75.00748	24.4
80.85212	1.3
83.04910	1.6
87.00739	2.5
89.02313	4.5
90.14012	1.3
90.72870	1.4
94.45695	1.4
99.00759	2.0
112.98689	3.0
117.01862	2.6
135.02890	100.0
136.03206	2.5
142.99800	6.9
161.09674	1.5
163.11134	1.5
173.00832	3.0
174.01610	20.1
175.02278	2.3
181.46249	1.6
182.85088	1.3
190.25433	1.4
205.12341	2.0
211.13374	8.1
223.13332	31.0
223.15376	2.4
224.13638	2.6
251.12617	1.5
263.12897	3.5
267.12350	13.4
268.12692	1.7
307.11945	1.5
325.12973	2.0
367.14066	2.6
385.14984	13.9
386.15411	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28195	2.3
57.03324	6.5
59.01242	19.3
68.81499	2.8
69.03324	2.8
69.39803	4.7
69.40206	21.3
71.01249	14.9
72.99190	20.0
73.02803	2.9
75.00751	5.1
83.01282	5.9
83.04910	6.3
85.02825	13.8
87.00771	5.6
88.22202	2.5
99.00751	14.1
101.17697	2.4
111.00707	2.4
112.98692	29.1
113.02357	3.8
115.00230	3.5
117.01804	4.8
129.01819	4.0
135.02863	5.6
137.02295	6.0
142.99782	31.7
147.02927	3.3
149.13466	2.6
156.00629	3.1
173.00851	11.3
174.01625	100.0
175.02306	5.2
179.14360	4.9
183.13905	3.1
189.62038	2.5
195.13905	3.2
205.12279	9.3
207.13869	3.1
211.11435	4.5
211.13335	37.9
223.13336	45.2
224.13771	4.3
225.05507	15.5
225.14798	3.3
226.06100	3.0
237.14960	9.9
239.07069	2.9
239.12895	2.8
241.08623	29.1
245.11890	2.5
247.16197	2.8
251.12943	4.0
257.39108	3.0
263.12839	11.7
267.12360	42.1
285.13574	3.6
307.11752	12.1
325.12949	6.2
349.13058	4.2
367.13870	17.9
385.13766	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18971	0.9
57.03314	2.8
59.01253	100.0
60.01586	1.3
64.16330	1.0
65.14917	0.9
67.01727	1.3
68.99699	1.7
69.03332	1.0
71.01257	14.7
72.99193	6.3
73.02832	2.2
75.00744	13.8
75.01137	1.3
77.00809	1.0
85.02827	16.9
87.00742	5.9
87.93521	0.9
89.02312	3.6
91.05432	4.6
93.03325	1.4
95.01257	3.6
96.69059	1.0
99.00760	8.6
101.02351	1.7
103.00282	1.3
113.02342	16.9
114.65231	1.0
115.00246	1.6
117.01836	1.8
118.70351	0.9
129.01797	1.7
135.04424	65.8
135.39581	1.0
136.04753	2.5
155.75363	1.0
174.01613	1.7
175.02377	2.3
202.30626	0.9
223.13467	1.2
231.05046	4.0
249.06139	43.9
250.06589	1.4
267.12363	1.7
321.07843	1.1
385.11411	29.4
385.18796	1.3
386.11731	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04816	1.3
52.43096	1.3
55.01775	2.6
57.03332	9.0
59.01249	5.8
66.11332	1.3
66.70792	1.3
68.41522	1.4
68.95757	1.5
71.01254	3.3
71.51858	2.5
71.52185	1.5
72.99163	2.4
75.00758	2.5
83.01251	2.5
84.02038	2.9
85.02827	100.0
86.03168	1.7
87.00716	2.0
103.00222	1.6
111.00767	3.3
119.04920	11.5
120.05349	1.5
129.01837	8.9
134.03624	2.8
147.02896	9.2
148.59004	1.3
163.03931	15.0
191.01880	25.9
209.02972	15.2
388.71500	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03328	2.9
57.13501	0.5
58.00475	0.9
59.01250	16.8
67.01759	1.8
68.99681	3.3
69.03322	1.8
70.02869	1.1
71.01256	18.5
72.99184	1.8
73.02812	3.3
75.00751	0.8
81.03308	0.6
83.01269	3.0
85.02823	16.8
85.99966	0.9
87.00755	3.1
89.02325	7.5
91.03862	1.5
93.03358	0.9
95.01270	3.2
97.02836	1.8
99.00782	1.6
101.02319	7.2
109.02824	0.6
111.00771	2.5
111.04387	0.7
113.01614	0.9
113.02335	9.9
115.00257	0.8
119.03369	3.0
121.02843	100.0
122.03170	3.7
123.04417	0.7
125.02310	0.7
125.18451	0.6
129.01831	1.0
132.32791	0.5
134.03658	0.9
134.77664	0.4
135.04471	0.9
135.57146	0.5
135.78673	0.5
136.05215	0.8
138.06787	2.3
139.00269	1.3
139.03964	0.6
139.07617	0.5
143.03404	0.8
151.07579	2.5
152.08322	5.3
153.09116	10.8
153.10295	1.0
157.01349	0.5
159.02901	0.7
161.04454	2.4
166.06320	0.6
179.10706	0.9
181.08679	1.3
187.11159	0.5
191.01888	1.1
193.04906	0.6
205.12296	4.3
206.08168	3.2
209.02928	0.9
223.13336	2.1
231.05013	1.3
263.07703	23.0
264.08102	1.4
271.02344	0.7
325.12994	1.4
343.13950	1.0
353.58176	0.5
385.11301	11.2
385.18759	2.8
386.11508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68275	1.5
57.03324	6.9
59.01250	100.0
61.48458	1.5
67.86526	1.6
68.99696	2.5
69.03338	2.1
71.01255	28.3
71.49390	2.3
71.49731	3.2
72.99158	10.5
73.02826	5.0
75.00742	26.1
81.53052	1.8
82.43566	1.6
83.01262	3.8
85.02821	33.6
87.00764	10.0
89.02319	11.9
91.05415	7.0
93.03382	2.6
95.01272	7.0
99.00735	11.7
101.02341	5.4
103.00230	3.5
111.00743	2.1
112.98699	2.6
113.02332	29.7
115.00278	3.3
117.01847	5.6
119.03390	4.2
129.01863	3.4
135.02896	16.9
135.04414	90.6
136.04750	4.0
137.02438	1.7
141.93179	1.8
142.99783	3.3
157.01309	1.9
161.04485	2.4
165.09146	2.9
174.01689	10.2
175.02318	2.6
180.68346	1.9
205.12238	4.3
211.13367	4.8
223.13344	8.0
231.05051	7.3
249.06134	60.1
250.06499	4.4
252.61688	1.9
267.12372	4.5
307.11917	1.8
385.11276	37.5
385.19016	4.0
386.11862	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87729	1.1
57.03330	14.7
59.01250	8.9
59.03268	1.2
71.01254	11.6
71.53365	2.2
72.99190	2.7
75.00755	2.3
76.34679	1.1
83.01270	2.8
83.99792	1.1
84.02036	2.7
85.02827	100.0
86.03170	2.9
89.02315	3.4
101.02322	1.4
103.00259	1.4
111.00766	3.3
129.01846	7.1
133.01344	2.9
134.03668	5.7
147.02908	9.5
149.02292	2.1
160.80540	1.2
173.00867	1.7
181.08585	1.6
191.00221	1.8
191.01906	30.0
208.03873	1.5
209.02972	49.8
210.03259	1.4
223.06062	5.5
223.10893	1.5
240.58965	1.2
272.02966	1.5
311.58105	1.4
314.04187	1.7
315.04633	2.6
366.78763	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60576	1.3
52.03883	1.3
55.01750	2.4
57.03330	12.6
59.01260	7.3
60.11290	1.4
70.74813	2.6
71.01260	4.5
72.99171	2.4
83.01269	3.2
84.02036	2.7
85.02826	100.0
87.00745	1.3
111.00750	3.6
117.03309	1.4
129.01846	9.7
134.03625	4.7
147.02884	14.8
191.01901	31.3
192.02371	1.5
193.05150	1.9
209.03006	21.0
210.03174	1.6
330.71579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03323	14.9
59.01257	7.2
66.67552	0.8
68.31908	0.9
68.99680	1.4
69.92838	3.2
69.93251	1.2
70.31107	0.7
71.01254	4.6
71.07488	0.8
72.09413	0.7
72.99184	1.8
75.00735	1.9
83.01246	2.5
84.02023	2.1
84.07093	0.8
85.02825	100.0
86.03156	2.5
101.02347	1.2
103.00251	1.5
111.00787	4.0
111.26865	0.8
129.01840	6.9
134.03630	3.7
147.02908	8.3
173.00902	1.7
191.01897	17.7
193.05023	2.1
209.03017	6.1
382.85254	0.8
385.07471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.1
57.03328	13.5
59.01250	7.9
68.99690	1.3
69.47877	2.3
69.48296	4.0
71.01251	5.4
72.99203	1.7
75.00761	2.6
83.01241	2.3
84.02038	3.3
85.02827	100.0
86.03165	2.6
87.00758	0.8
89.02341	1.0
101.02330	2.0
103.00262	1.1
109.55102	0.9
111.00775	5.1
113.02454	1.0
115.00301	1.0
127.26556	0.8
129.01826	7.7
134.03650	4.0
147.02869	9.1
149.02368	0.8
173.00874	1.1
191.01912	22.4
192.02060	1.1
193.04837	1.6
208.03822	1.0
209.02994	16.3
223.06268	0.8
271.58698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.7
57.03045	0.8
57.03326	14.3
57.56348	0.4
59.01252	8.0
64.75205	0.4
65.67699	0.4
68.99680	0.7
71.01261	3.0
72.37119	0.5
72.99186	1.5
73.02800	0.4
75.00743	1.6
83.01253	3.0
84.02042	2.3
85.02824	100.0
86.03156	2.0
87.00761	0.9
89.02322	0.7
98.20557	1.1
101.02284	0.6
103.00231	2.4
111.00772	4.3
115.00289	0.7
129.01833	7.4
134.03644	4.3
143.56502	0.5
147.02893	9.8
149.06042	0.5
155.90765	0.4
173.00818	1.4
184.38043	0.4
191.01900	22.9
192.02315	0.6
193.04997	2.6
209.02975	9.8
209.46027	0.4
210.03485	0.5
210.11337	0.6
211.10773	0.7
222.14595	0.4
229.48965	0.6
279.50790	0.6
385.07678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00471	1.9
59.01252	15.2
59.77161	1.4
69.03319	2.4
71.01250	7.8
71.57494	2.5
73.02847	1.6
80.96392	4.3
89.02333	7.1
91.03884	22.8
94.97989	1.6
96.08075	1.8
101.02403	1.7
111.08044	36.5
113.02391	1.4
127.07563	2.9
153.12767	3.2
165.12694	2.8
167.14311	1.6
169.12260	4.7
171.10179	1.4
181.12263	1.9
183.13875	1.9
193.12363	1.7
197.11772	100.0
198.12115	7.0
199.13287	6.5
209.11687	2.2
210.14960	1.9
211.13312	11.4
227.12846	4.7
247.20758	1.6
263.20190	9.3
264.09412	2.9
265.18073	4.2
273.18713	4.3
291.19659	47.7
292.19968	3.4
309.20709	94.5
310.21002	10.7
311.22150	2.3
320.98981	1.6
328.00195	1.5
341.10345	1.8
377.45633	1.7
383.24252	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63723	1.2
59.01253	100.0
71.15174	3.8
75.20750	1.7
85.47256	1.3
121.45206	1.3
124.37758	1.3
128.85039	1.3
138.90584	1.6
159.42909	1.6
192.95894	1.3
322.27524	1.5
325.18271	2.1
374.21161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.8
68.99688	1.3
70.24400	2.6
70.24797	2.5
71.01258	3.9
73.02802	1.7
85.02840	2.5
87.00719	1.6
89.02310	2.9
99.11481	1.3
101.02316	2.4
101.28768	1.1
113.02329	2.7
121.02851	100.0
122.03194	2.8
147.04398	2.2
149.02371	2.0
161.04483	1.3
180.05780	1.6
181.06520	5.4
191.03427	8.3
217.05092	1.8
225.05534	7.4
251.07018	4.0
265.21793	2.6
285.05756	3.1
291.19659	10.3
295.06094	9.1
309.20697	12.9
311.09305	12.8
313.07187	18.1
314.07397	2.3
316.01035	1.1
339.08673	13.6
383.07681	16.8
383.24554	5.7
384.08170	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
57.47118	0.6
59.01242	3.4
61.85136	0.7
64.94540	0.7
65.65437	0.7
71.01257	1.9
76.78614	0.7
89.02305	1.5
91.03882	1.3
95.04923	0.7
97.06458	1.9
98.19812	2.6
101.02336	1.0
109.14826	0.8
111.08035	1.4
112.80224	0.6
113.09618	1.7
115.07558	1.7
125.05997	1.1
141.09167	0.8
163.11287	0.7
165.12781	3.6
167.10674	0.8
167.14323	1.5
179.14262	0.9
181.12271	2.7
183.13776	1.5
193.12253	2.1
193.15938	1.5
194.82823	0.7
195.13864	2.9
211.13335	3.3
214.95134	0.8
221.15431	2.8
229.14334	1.0
237.22287	0.8
240.13667	1.7
241.14342	1.2
247.20709	3.9
248.67365	0.7
273.18646	2.3
281.21130	1.5
291.19666	40.1
292.20053	4.4
309.20712	100.0
310.21106	10.6
314.17340	2.0
316.49539	0.7
321.11813	0.7
341.10925	1.1
383.24417	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00471	1.9
59.01252	15.2
59.77161	1.4
69.03319	2.4
71.01250	7.8
71.57494	2.5
73.02847	1.6
80.96392	4.3
89.02333	7.1
91.03884	22.8
94.97989	1.6
96.08075	1.8
101.02403	1.7
111.08044	36.5
113.02391	1.4
127.07563	2.9
153.12767	3.2
165.12694	2.8
167.14311	1.6
169.12260	4.7
171.10179	1.4
181.12263	1.9
183.13875	1.9
193.12363	1.7
197.11772	100.0
198.12115	7.0
199.13287	6.5
209.11687	2.2
210.14960	1.9
211.13312	11.4
227.12846	4.7
247.20758	1.6
263.20190	9.3
264.09412	2.9
265.18073	4.2
273.18713	4.3
291.19659	47.7
292.19968	3.4
309.20709	94.5
310.21002	10.7
311.22150	2.3
320.98981	1.6
328.00195	1.5
341.10345	1.8
377.45633	1.7
383.24252	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	381.1919
Annotation	Viguilenin
Peak:m/z	Relative Intensity
54.37320	0.9
59.01253	10.8
69.03333	2.4
71.01245	4.3
71.57948	1.5
73.02824	2.0
83.01271	1.0
85.02833	1.2
89.02316	1.9
101.02341	1.2
111.00805	1.0
113.02350	1.8
113.55138	1.0
119.03387	1.3
134.03590	1.7
135.08116	1.0
137.09627	2.6
160.01608	1.2
161.04628	1.1
175.03934	1.7
193.05032	2.5
204.44965	0.9
211.29031	1.0
233.09753	0.8
242.45667	1.0
245.19084	2.0
255.17647	1.0
273.18558	2.3
337.20218	36.6
338.20547	2.9
381.19220	100.0
382.19537	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.6
69.29598	10.8
77.94048	1.1
78.95766	1.0
90.96255	0.8
91.68532	0.9
98.20571	1.9
104.98949	1.0
112.06279	0.9
120.37132	1.0
131.53500	0.9
151.07565	1.8
152.99471	2.0
160.99101	1.0
170.05743	5.0
174.99182	1.6
217.00288	4.1
233.18988	1.6
235.20532	1.5
251.20163	2.9
277.18085	83.7
278.18280	8.2
279.19666	29.4
279.21976	0.7
280.20004	1.9
295.19144	100.0
296.19501	10.7
307.22781	1.0
315.96924	1.1
363.25403	16.2
364.25745	1.8
381.26761	5.1
398.34421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.8
63.46458	0.8
64.02782	0.8
71.42880	0.8
78.95805	1.5
81.52418	0.8
98.20628	1.9
104.04378	0.7
106.83730	0.7
133.04886	0.8
142.33864	1.0
151.11253	0.9
152.99457	3.4
153.12802	3.4
163.11250	1.6
165.12764	2.7
165.69386	0.8
167.99716	0.8
170.05769	2.3
179.10689	12.9
181.12273	37.9
182.12585	2.1
195.10229	2.6
198.15753	0.9
199.13341	100.0
200.13617	7.5
205.07076	0.9
215.12808	3.1
216.20764	0.8
217.00258	2.7
279.28708	0.9
363.25354	4.2
381.10843	0.9
381.26245	3.4
398.06046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.9
59.01249	18.4
69.32682	6.7
90.80726	0.6
93.03336	0.6
95.04897	9.1
97.06421	1.1
98.20512	1.3
99.92405	0.9
113.09597	2.4
179.14331	1.6
195.13837	14.4
196.14221	1.4
246.12303	0.8
249.06161	1.1
249.11124	0.9
249.22206	1.5
277.21732	19.7
278.11343	6.1
278.22128	1.4
279.11890	1.0
295.22781	100.0
296.23074	11.3
296.33191	0.6
299.19949	0.9
315.19333	1.2
317.20972	45.9
318.21301	6.0
338.12125	1.0
360.14197	1.0
361.20013	4.7
377.22092	10.4
378.22278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52054	0.6
59.01242	1.7
63.20829	0.6
65.14463	0.5
69.33801	0.6
69.34138	6.1
78.59818	0.6
79.95615	1.4
86.99579	0.5
96.95893	55.3
135.04390	0.7
182.33464	0.5
183.04442	1.6
195.04431	6.5
199.68875	0.6
210.03325	0.5
210.06723	0.6
211.03883	5.2
223.04007	1.2
239.03470	39.8
240.03752	3.3
253.05185	1.2
254.05841	22.8
255.06248	1.6
266.02142	0.7
267.02982	8.4
268.03439	0.9
278.52875	0.6
281.04532	0.6
282.05350	92.5
283.05646	7.4
297.07684	100.0
298.08008	11.0
379.21582	21.8
380.21808	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84759	1.5
55.95497	1.5
57.03315	2.2
59.01252	66.1
71.01251	32.9
72.99174	4.3
83.01249	1.8
83.04905	4.6
85.02808	7.5
89.02322	30.3
95.01246	2.4
96.95889	2.6
98.20557	4.3
101.02322	17.7
113.02354	10.4
119.03419	14.7
122.26984	1.4
137.09596	9.9
149.04446	1.7
155.10689	29.4
173.77303	1.4
175.82005	1.5
179.05556	3.1
181.08643	3.9
199.09689	77.7
200.09996	3.4
217.10811	8.0
227.78331	1.7
229.33774	1.7
234.17964	1.9
264.46344	1.6
326.46527	1.8
379.16064	100.0
380.16516	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22170	1.7
59.01251	100.0
91.29013	1.7
98.19755	3.3
100.01822	1.6
101.59985	2.0
109.93821	1.9
135.92863	2.2
147.45604	1.7
152.99460	5.4
217.00325	3.1
229.67828	2.5
244.29701	2.2
301.21936	2.2
376.81656	2.1
384.80576	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61868	0.5
52.67145	0.5
53.42947	0.6
59.01254	100.0
60.01590	1.5
60.70538	0.6
69.25839	2.2
69.26277	4.0
70.22117	0.6
71.01265	1.3
73.02853	0.6
84.52522	0.5
89.69186	0.6
101.02356	1.0
134.06693	0.6
161.04570	0.6
212.68277	0.7
249.13321	1.0
257.42944	0.7
291.69400	0.6
336.44965	0.6
381.17902	1.1
382.12213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97567	0.8
57.03322	0.7
59.01252	100.0
60.01576	1.1
71.01267	4.4
71.04903	2.1
71.57754	0.7
71.58169	0.8
73.02840	1.2
83.01228	1.4
85.02841	2.2
89.02344	2.8
95.03504	0.9
101.02364	1.5
113.02351	1.2
116.07088	0.9
146.08122	12.2
161.32661	0.7
175.42758	0.8
200.04457	0.6
341.10995	2.3
371.59741	0.8
377.08817	1.5
377.16315	1.0
377.21466	2.3
400.96259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40298	0.3
55.01757	1.4
56.07338	0.3
57.03325	1.3
58.00461	0.5
59.01252	100.0
60.01587	0.9
69.34559	2.9
71.01255	18.7
71.04891	0.5
71.92597	0.3
72.99179	0.6
73.02820	5.3
83.01261	2.5
85.02827	9.0
87.00766	0.7
89.02317	6.4
90.85477	0.3
92.42425	0.3
94.11406	0.3
95.01275	2.2
96.17014	0.4
97.02856	0.5
98.19806	0.5
99.00749	2.5
101.02322	14.4
104.21696	0.3
113.02340	8.9
118.05173	0.3
119.03385	2.1
125.02338	0.4
127.11227	0.5
131.03342	0.4
143.03436	1.2
150.08377	0.3
159.02930	1.7
161.04466	9.3
173.15387	1.8
173.91731	0.4
239.03444	1.9
254.05800	1.9
267.02997	0.9
282.05347	6.5
282.08270	0.4
283.05768	1.1
297.07678	10.0
298.08185	0.8
317.19861	0.9
324.45493	0.3
335.20755	18.3
336.21109	1.7
377.03247	0.5
378.81546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03329	1.4
57.66466	0.3
58.00479	0.5
59.01253	100.0
60.01593	1.1
62.31536	0.3
71.01257	18.1
71.04889	0.4
71.58897	0.4
72.99197	0.6
73.02823	5.5
75.00756	0.5
79.95584	0.3
83.01250	2.9
85.02824	8.2
85.99954	0.4
87.00773	1.0
89.02315	4.7
95.01249	1.5
97.02856	0.5
99.00758	1.9
101.02326	13.0
102.02767	0.3
109.19688	0.3
113.02326	7.2
119.03412	1.2
125.02388	0.5
127.11176	0.6
129.01866	0.7
143.03439	1.2
159.02975	1.0
161.04469	8.6
173.15410	1.3
193.66017	0.3
205.03569	0.4
267.03033	0.3
282.05420	0.5
317.19751	0.6
335.20773	15.4
336.21042	1.4
341.10687	0.4
377.23151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03329	1.4
57.66466	0.3
58.00479	0.5
59.01253	100.0
60.01593	1.1
62.31536	0.3
71.01257	18.1
71.04889	0.4
71.58897	0.4
72.99197	0.6
73.02823	5.5
75.00756	0.5
79.95584	0.3
83.01250	2.9
85.02824	8.2
85.99954	0.4
87.00773	1.0
89.02315	4.7
95.01249	1.5
97.02856	0.5
99.00758	1.9
101.02326	13.0
102.02767	0.3
109.19688	0.3
113.02326	7.2
119.03412	1.2
125.02388	0.5
127.11176	0.6
129.01866	0.7
143.03439	1.2
159.02975	1.0
161.04469	8.6
173.15410	1.3
193.66017	0.3
205.03569	0.4
267.03033	0.3
282.05420	0.5
317.19751	0.6
335.20773	15.4
336.21042	1.4
341.10687	0.4
377.23151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38442	0.9
59.01250	15.7
71.57186	1.8
89.28701	0.9
97.06477	1.3
98.53764	0.9
102.53602	1.0
114.02761	0.9
125.09615	3.7
129.44199	0.9
135.33359	1.0
142.00706	0.9
182.75031	1.0
185.11739	8.3
197.11815	1.5
217.00217	2.4
246.42410	0.9
249.22137	1.5
293.21228	100.0
294.02609	1.3
294.21579	9.2
315.19400	29.6
316.19763	3.4
375.21423	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.3
71.01250	0.6
98.19746	0.8
100.39098	0.3
125.71953	0.3
174.62592	0.3
183.04436	0.8
195.04431	4.5
210.06856	0.6
211.03951	4.2
223.03952	1.3
224.04170	0.5
239.03462	30.0
240.03903	3.0
253.05128	0.6
254.05823	19.4
255.06198	1.4
266.02328	0.5
267.02994	7.3
281.04520	1.2
282.05334	79.0
283.05679	7.2
297.07675	100.0
298.08008	10.3
319.46631	0.4
327.82846	0.4
377.03320	6.7
378.03650	0.9
389.60104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
53.09499	0.9
57.00748	0.9
59.01241	1.7
59.37053	0.9
60.63979	0.9
61.98700	1.6
80.16426	0.8
99.92464	84.1
100.92469	3.3
100.93230	1.7
115.91144	1.4
115.91966	41.2
116.92744	100.0
117.92772	5.4
127.95596	0.9
131.91461	1.1
143.07806	1.0
168.63095	0.9
275.97449	0.9
277.21692	2.5
290.06250	1.2
293.18417	0.9
308.07193	2.4
333.15280	1.2
356.16162	1.0
359.13113	1.3
373.11185	3.7
377.09445	2.0
377.14258	36.3
378.14368	6.4
391.12198	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21804	0.7
56.19867	0.7
57.03314	2.3
57.13924	0.8
58.66613	0.7
59.01254	100.0
59.95207	0.7
60.01572	1.2
69.71092	5.7
71.01247	3.5
73.02837	0.8
75.00753	1.2
83.01250	1.1
84.01614	0.8
85.02826	2.4
89.02306	1.6
98.20609	0.9
99.08083	0.8
101.02277	1.4
113.02326	3.5
129.09117	2.2
169.12234	1.2
183.13747	1.6
200.47112	1.0
213.11256	1.9
223.17010	1.3
223.93611	0.9
231.29869	0.8
243.19624	7.8
249.06082	1.4
249.58942	1.0
267.07309	1.1
282.95871	0.9
285.20776	2.7
287.65402	0.8
300.09116	1.1
303.21774	66.5
304.22162	5.0
314.11578	1.2
315.11429	2.4
331.21231	5.3
332.21869	1.1
375.13666	3.0
375.27570	16.7
376.27859	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	2.4
59.01253	44.2
69.91319	4.9
69.91727	2.9
70.66157	1.2
84.26350	1.4
91.19345	1.2
95.04934	3.3
98.20535	1.5
109.06469	1.9
121.10123	27.2
122.10454	1.7
124.98252	1.2
125.09568	1.4
144.96115	1.3
149.09705	1.4
171.10181	64.5
172.10527	2.7
177.16360	1.3
177.80295	1.3
183.10147	1.4
183.13849	3.9
184.63625	1.2
185.11804	2.9
207.10046	3.2
217.00317	3.4
217.25494	1.1
223.40656	1.1
231.21196	6.1
253.09161	2.9
275.20169	100.0
276.20511	11.5
278.11328	9.6
283.14468	1.4
293.21237	89.8
294.21637	9.0
297.18491	1.3
315.19403	47.6
316.19675	3.9
329.17307	1.3
359.18381	5.6
375.21185	27.4
376.21045	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.9
63.06581	1.0
69.24870	13.6
95.04900	39.6
98.20564	2.6
99.10719	1.0
111.08028	1.2
149.97086	1.1
150.02913	1.3
195.13826	10.8
205.12239	2.0
217.00171	1.4
223.13329	10.9
228.13660	1.6
246.12401	11.9
256.13095	2.2
274.69794	1.0
275.20111	5.5
278.11346	81.0
279.11703	4.2
293.21231	100.0
294.21594	10.2
315.19370	14.0
316.19690	1.5
338.12082	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.9
59.01253	36.7
62.09896	1.3
65.89089	1.4
71.57296	1.8
90.50123	1.6
99.32920	1.4
111.86890	1.5
113.09602	22.4
121.06536	2.9
121.10137	7.2
132.80855	1.5
148.53395	1.5
161.42882	1.4
163.20685	1.4
164.97243	1.3
167.10641	3.9
171.10211	17.9
174.99159	1.3
177.12679	2.0
179.10550	1.7
195.13866	4.0
217.00307	5.2
217.12088	2.3
235.17017	1.4
249.22198	2.8
272.13895	2.4
275.20163	22.7
276.20691	1.9
282.32193	1.3
293.21240	100.0
294.21548	9.5
305.13754	1.6
315.19409	94.0
316.19623	9.1
330.66794	2.0
375.21332	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.8
57.99293	0.7
59.01252	21.0
65.17962	0.6
71.01256	4.6
71.04896	4.7
71.58057	1.1
72.99180	0.8
73.02825	2.2
75.00742	0.8
75.96371	0.7
77.03018	0.8
83.04900	1.2
85.02813	2.5
89.02322	1.1
97.06470	2.7
99.08031	10.3
101.02324	1.8
109.06469	1.4
111.08057	0.8
113.02323	2.4
113.09612	0.9
127.07550	0.8
127.11182	3.7
129.09099	12.1
137.09619	1.4
139.11182	2.7
143.10698	4.0
153.12851	0.8
155.10678	2.4
157.12231	2.5
161.04430	0.9
167.71490	0.7
174.72859	0.7
205.78111	0.7
221.18935	1.0
227.12837	0.8
237.18605	4.4
239.20132	2.7
243.12314	1.0
255.19691	1.0
257.17609	1.1
257.21198	4.5
285.20712	17.8
286.20996	1.5
301.20303	2.2
303.21759	100.0
304.22162	8.9
331.21216	2.6
376.17487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	5.5
57.03309	2.4
58.00461	2.9
59.01253	55.3
59.94291	0.8
68.99146	0.8
71.01254	34.2
72.99190	3.8
73.02810	1.6
75.00742	8.5
75.61034	0.8
75.61909	0.8
82.71710	0.9
83.01247	2.0
85.02824	8.9
87.00763	1.4
87.04389	3.3
87.89052	1.0
89.02319	24.2
95.01279	2.8
99.00755	1.7
101.02325	17.0
102.98618	0.8
104.31549	1.0
111.08012	1.4
113.02328	10.7
119.03379	7.5
129.01837	3.2
147.02919	4.1
157.10019	0.8
165.03972	15.0
165.12766	10.7
166.12990	0.9
183.13838	32.1
184.14201	2.4
195.13852	12.4
213.14880	5.0
217.00261	3.5
221.19121	5.9
227.12849	29.4
227.15114	1.0
228.13130	1.5
265.18158	2.9
283.19272	4.7
290.68762	1.1
301.20248	9.4
357.19458	1.0
365.28159	1.0
375.16553	6.7
375.20267	100.0
376.16623	0.9
376.20621	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52584	0.7
74.98953	0.8
93.00019	2.2
106.14027	0.9
149.00850	0.9
159.08368	9.3
161.06357	3.8
192.98044	0.9
209.01263	2.0
217.07097	1.3
252.44754	0.8
261.83276	0.9
277.07535	2.7
289.07602	2.4
291.09113	100.0
292.09271	11.3
309.10190	2.6
357.13812	1.7
359.15363	97.8
360.15509	16.9
375.18533	6.2
376.19086	1.1
377.16364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97369	0.9
71.48606	0.9
74.98936	1.8
85.49108	0.8
91.02077	0.7
93.00034	1.6
94.75639	0.7
125.54612	0.8
159.08374	11.1
161.06294	4.3
192.98071	1.0
209.01123	2.4
217.07227	1.5
266.76532	0.7
275.05905	1.3
277.07581	2.8
289.07507	2.7
291.09116	93.9
292.09216	11.6
309.10144	2.3
309.65378	0.8
357.13736	1.6
359.15353	100.0
360.15549	14.6
375.18399	3.4
377.16141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	6.7
59.01254	37.8
62.51731	0.5
69.03307	0.9
70.29480	0.5
71.01264	5.1
71.04880	0.6
71.58305	0.8
72.99147	0.9
73.02793	1.1
75.00714	1.3
85.02810	2.6
85.06436	1.1
87.00714	0.7
89.02280	2.0
95.01247	0.7
97.06441	0.7
99.00755	1.1
101.02307	2.6
107.04917	0.8
113.02304	2.7
119.03400	0.6
125.02289	1.0
128.97421	0.6
137.02342	1.1
141.12717	1.3
143.10645	1.4
147.02734	0.5
149.09598	0.9
151.10245	0.6
151.11211	7.9
155.14240	2.1
157.69208	0.6
165.04008	1.1
165.45767	0.5
169.12270	1.1
171.10153	0.8
183.13794	1.5
185.11713	1.7
195.10187	6.7
199.13362	0.9
201.11244	0.8
217.00124	0.8
227.12862	2.1
239.16441	1.0
249.06320	0.7
250.09521	0.6
255.19749	2.9
257.17545	5.6
271.19156	1.4
283.19290	1.6
285.20743	6.3
301.20203	0.9
303.21780	100.0
304.22095	9.0
315.25415	5.7
331.21341	1.0
375.19751	1.0
375.24142	1.4
375.27576	28.3
376.28006	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56100	0.8
55.01762	3.5
56.76292	0.9
57.03322	3.0
58.00467	1.1
59.01252	45.3
60.01563	1.1
69.03326	2.7
69.24178	11.2
71.01257	33.0
71.04884	0.9
72.99187	4.1
73.02822	3.4
75.00750	2.7
80.02571	1.0
83.01250	3.6
83.04909	1.0
85.02821	11.4
87.00762	3.2
89.02321	25.0
94.04128	1.8
95.01280	2.6
95.04891	7.1
97.06484	3.6
97.97070	0.9
98.03596	6.0
99.00764	2.0
101.02317	12.9
107.04906	10.5
113.02332	13.8
119.03390	7.3
125.02348	3.1
131.03438	0.9
137.02319	4.4
141.12750	1.7
149.09616	3.8
151.11194	100.0
152.11557	4.4
154.09904	2.5
159.02927	0.9
160.89078	0.9
161.04483	2.1
169.12248	14.9
169.13631	1.2
179.05472	1.1
195.10210	96.7
196.10542	5.0
213.11270	1.7
249.06248	1.6
249.58737	1.5
257.17499	1.9
267.07205	1.3
285.20795	2.2
303.21780	35.7
304.22214	2.2
375.23779	1.8
375.88580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
57.03326	0.9
58.00467	1.0
59.00949	1.4
59.01250	25.3
62.04855	0.7
69.88571	4.6
71.01257	17.6
72.38800	0.8
72.99185	2.4
73.02832	4.3
83.01270	1.8
85.02821	3.3
87.00748	1.9
89.02319	13.0
95.01270	1.6
95.04932	1.7
96.95906	0.8
99.00758	1.3
101.02327	11.8
107.04931	4.2
108.02083	0.8
109.02842	0.9
113.02319	6.4
119.03391	7.3
121.06487	1.7
125.02313	1.6
125.05976	1.0
131.03435	1.2
132.75957	0.7
143.03450	0.8
144.08081	2.2
151.03828	0.9
159.02899	1.0
161.04436	2.6
165.12772	0.9
177.09204	1.0
179.05498	1.0
184.08710	2.0
197.05870	1.6
198.06651	5.7
212.08253	25.2
213.08562	1.6
213.11232	1.4
227.12746	3.6
240.06471	3.3
241.04799	1.2
241.07286	21.2
249.09779	3.0
255.08862	100.0
256.09268	7.8
279.74481	0.8
297.11151	0.9
313.10443	1.0
357.15561	4.5
375.13004	2.8
375.17047	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	9.3
56.66976	0.5
57.03328	0.9
59.01250	9.2
69.41573	5.1
71.01266	5.1
72.99172	0.7
73.02829	1.1
75.00752	9.9
77.23363	0.5
83.19945	0.6
84.24942	0.5
85.02831	3.0
87.00773	0.7
87.04391	2.1
89.02320	2.2
97.06510	0.6
99.00785	0.7
101.02318	2.7
108.13829	0.5
111.08075	1.3
117.01809	0.7
129.01846	5.5
133.91942	0.6
142.95673	0.5
147.02911	8.6
151.00308	0.6
152.01060	1.7
161.04362	0.5
165.03967	14.8
165.12766	32.7
166.02634	1.3
166.13144	1.1
167.03374	1.0
174.99144	0.9
183.13835	100.0
184.14166	5.4
191.10648	0.6
197.11502	0.6
208.79543	0.6
209.11774	1.9
213.14853	1.5
217.00227	1.4
221.19060	1.3
227.12852	95.9
228.13170	6.2
282.47519	0.6
283.19003	1.0
299.10461	0.6
301.20209	2.5
333.19431	0.9
375.16574	24.4
375.27405	1.8
376.16882	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64415	0.2
55.81585	0.3
59.01260	1.2
66.81218	0.2
71.06485	0.6
71.59911	0.3
75.78378	0.2
76.05733	0.2
95.67900	0.2
96.95922	0.3
101.05950	1.3
107.01350	0.2
118.32806	0.2
124.07539	0.6
132.98970	0.3
165.10381	0.3
174.99164	0.5
189.10274	0.7
205.16389	0.3
217.00299	1.2
232.10860	11.6
233.11183	0.7
246.84856	0.3
272.17609	0.3
276.09818	0.4
289.17871	1.9
290.18747	3.0
304.70392	0.2
316.16824	1.4
317.16843	0.3
318.18167	0.3
320.59314	0.3
358.21472	1.0
374.24469	100.0
375.24786	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	375.1309
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.77818	0.6
55.01738	0.8
58.00447	0.6
58.02843	0.6
59.01249	20.9
63.16091	0.6
63.83791	0.6
71.01249	13.3
71.34180	0.8
71.34512	0.9
72.99181	1.4
73.02819	2.5
83.01244	1.5
85.02831	3.7
87.00748	1.2
89.02315	11.5
95.04901	1.0
96.95906	0.7
101.02317	8.9
103.12015	0.6
107.04913	2.8
109.02859	1.1
110.60994	0.7
113.02342	5.3
119.03388	5.8
126.11485	0.6
131.03436	0.6
137.02377	0.8
144.08089	1.3
153.03360	0.7
161.04472	2.1
179.05513	0.9
184.08693	2.9
184.53929	0.7
185.07112	0.8
189.90977	0.7
195.10129	0.7
197.05786	0.9
197.11803	0.6
198.06631	4.7
212.08250	24.5
213.08571	1.4
227.12868	2.0
240.06519	3.1
240.17276	0.8
241.07283	21.2
242.07756	1.0
249.09720	2.1
255.08853	100.0
256.09204	7.2
257.10529	1.1
272.05542	1.1
357.15503	2.7
375.12927	2.1
375.16879	8.0
376.13281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.2
55.13873	0.8
57.03315	2.8
58.00470	4.8
59.01252	100.0
60.01579	1.6
62.90352	0.8
63.53709	0.9
64.74358	0.8
67.49572	0.8
70.39372	1.7
70.39763	1.7
71.01257	65.1
72.01601	1.0
72.99186	6.9
73.02811	6.2
75.00730	1.0
81.03330	1.1
83.01278	4.9
85.02828	18.2
87.00751	3.5
89.02319	62.6
90.02612	1.0
95.01274	5.0
97.02817	1.4
97.06508	0.9
99.00766	3.0
101.02325	51.9
107.47843	0.9
108.35220	1.0
111.00747	1.8
113.02332	27.2
119.03393	33.9
123.04398	1.4
125.02351	4.5
131.03398	2.6
131.04413	0.9
137.02348	4.0
143.03354	4.7
149.02371	1.1
149.04576	1.8
149.05823	1.2
151.03802	1.1
159.02913	0.9
161.04442	3.7
165.01755	1.3
167.03412	3.2
169.12250	1.3
177.09203	4.4
179.05544	5.6
195.10208	1.6
205.05028	4.0
213.11272	1.5
217.05397	1.0
259.06079	1.2
299.10373	3.1
303.06128	1.3
306.79184	1.2
328.39285	1.2
331.17526	1.6
357.15598	8.9
375.16611	63.0
376.16946	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15659	0.5
59.01251	10.8
60.35286	0.4
69.27431	4.6
93.03330	2.3
98.20580	0.9
101.90558	0.3
125.06013	0.8
148.08832	1.7
150.10422	1.2
163.11191	1.2
163.86118	0.4
165.12772	21.7
166.13136	1.2
175.11218	0.8
176.26906	0.5
177.12796	0.6
177.35564	0.4
191.14378	0.9
217.15938	0.7
244.10803	3.7
247.20663	11.5
248.21051	1.6
273.18613	6.6
274.19019	0.9
291.19675	100.0
292.19992	10.3
313.17844	10.1
314.18201	1.1
373.19977	6.9
374.20352	1.1
385.56525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13794	0.8
51.40759	1.2
57.03307	1.8
59.01250	21.4
69.03319	1.1
69.22209	3.7
69.22627	7.9
77.57677	0.9
87.49617	1.0
97.06432	1.7
98.19849	2.6
121.10120	17.7
123.08028	2.0
125.09624	8.1
141.01071	1.0
141.12654	1.2
163.48505	1.0
185.11752	12.1
197.11720	3.2
207.09947	4.4
209.11798	1.2
211.13388	1.6
227.18005	1.2
243.17453	1.3
245.19122	8.5
291.19662	73.7
292.19949	8.3
295.16907	1.0
313.17841	100.0
314.18256	10.6
373.18814	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	374.1973
Annotation	Pancritamine
Peak:m/z	Relative Intensity
59.01250	5.0
68.01264	0.8
68.99684	10.1
70.02879	0.6
71.01234	1.4
77.11576	0.7
81.02060	2.5
82.02844	0.8
83.00008	5.8
83.01252	1.3
84.00750	0.7
94.06499	6.0
96.00805	0.7
96.99201	5.7
99.00760	8.5
108.04452	1.1
109.01578	34.0
109.53500	0.6
113.01049	1.0
113.86493	0.6
124.00275	2.2
133.15208	0.6
137.01093	3.3
139.02641	0.6
140.03435	2.5
149.04703	0.8
157.61807	0.6
174.99213	1.8
199.04889	0.7
200.05510	0.9
201.16527	1.0
203.17984	0.7
212.14410	0.9
217.00191	7.0
228.17487	1.4
235.92491	0.7
240.17545	0.9
241.15891	0.8
242.15495	1.5
242.19127	1.9
250.07161	1.3
253.14734	0.7
256.17288	1.0
258.18665	4.4
268.17191	1.4
270.18558	0.8
286.18121	6.4
313.03543	2.1
314.13934	1.4
314.17627	24.8
315.17966	2.6
345.06195	2.3
374.19711	100.0
374.99121	0.7
375.10773	5.4
375.20041	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86014	0.8
57.03332	1.5
58.00446	0.9
59.01252	100.0
60.01577	1.2
67.01773	1.0
68.99686	1.2
69.03320	0.9
70.23983	3.0
71.01247	8.8
72.99174	1.1
73.02819	5.1
75.00760	1.6
81.03326	1.1
83.01254	2.6
85.02812	4.7
87.00761	0.8
89.02309	3.6
89.67856	0.8
95.01271	1.8
95.08949	0.7
97.02800	0.9
99.00779	0.9
101.02330	5.4
106.06511	1.5
108.02063	4.3
109.02837	6.9
111.00751	2.5
113.02332	3.2
119.03412	1.2
119.04962	1.3
121.02836	1.3
122.06032	2.7
123.00768	8.6
123.04385	2.6
124.01575	5.6
125.02316	3.7
132.04457	5.3
134.90125	0.8
136.01558	1.3
137.02344	3.3
139.00237	1.5
142.58336	0.8
145.02876	1.0
147.04427	10.0
150.05495	1.0
151.00249	1.1
151.03877	2.6
152.01083	1.2
152.07082	7.1
153.01813	1.9
159.04466	1.0
161.02420	1.1
161.04431	1.2
162.03165	4.1
163.03918	14.1
167.03386	3.2
173.02347	1.5
173.06047	0.9
174.03123	2.6
175.03877	2.8
177.05499	3.5
179.05476	0.8
188.04781	5.5
189.05424	2.3
191.03441	0.8
193.05037	1.2
204.04103	1.0
205.05038	0.9
207.10066	1.1
209.04356	1.4
209.11774	3.1
211.13359	0.9
225.11400	1.2
243.12315	1.4
281.84982	0.9
282.06345	1.4
295.06171	1.2
297.08942	1.6
297.12292	1.2
298.08441	9.1
299.08701	1.0
310.08350	1.3
313.07272	1.3
313.10791	31.2
314.11160	2.5
329.11288	2.9
341.11420	8.5
343.08301	1.5
343.11905	11.3
358.10568	4.4
373.12946	31.2
373.18570	6.3
374.13290	4.4
399.24734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01253	100.0
60.01596	1.3
69.63817	3.8
71.01257	10.0
72.99198	0.8
73.02829	6.4
75.00756	1.2
75.68906	0.6
83.01274	1.3
83.04880	0.5
85.02836	3.3
87.00777	0.9
89.02320	4.6
95.01295	0.8
98.20560	1.1
99.00781	1.2
101.02314	5.5
113.02337	4.6
117.01808	0.6
119.03420	1.1
123.04450	0.8
125.02379	0.6
128.52019	0.6
131.03473	0.7
134.03624	0.7
150.25974	0.6
151.07561	0.9
153.01807	0.9
157.67819	0.5
178.82919	0.6
197.11703	0.7
210.06847	0.6
248.08000	1.6
249.06200	1.4
267.07193	0.8
305.43747	0.6
373.12766	0.9
391.83972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1291
Annotation	Vladinol D
Peak:m/z	Relative Intensity
52.15832	0.6
52.66685	0.6
55.01723	1.6
57.03278	2.2
58.00422	1.4
59.01252	46.7
67.01713	2.7
68.99640	1.9
69.03310	0.7
71.01254	27.7
71.04842	0.7
71.57769	0.9
72.99179	4.0
73.02776	2.3
75.00694	3.1
79.95570	1.1
81.00893	0.6
81.03272	2.2
83.01247	4.8
83.55071	0.6
85.02822	11.0
87.00775	3.8
89.02321	20.4
95.01276	6.4
96.11862	0.7
99.00705	2.6
101.02326	17.0
103.88954	0.8
106.65207	0.7
107.01237	1.3
108.02055	11.1
109.02841	15.0
110.55374	0.6
111.00776	6.9
113.02339	14.9
119.03394	8.9
119.04810	1.5
121.02815	3.4
123.00774	24.9
123.04420	7.2
124.01572	15.2
125.02272	2.3
129.03372	0.9
131.03310	0.7
132.04475	1.0
133.02802	0.7
134.03555	2.0
134.26151	0.8
135.04407	1.1
136.01575	4.4
137.02335	4.4
138.03085	1.8
139.00188	2.4
143.03375	1.0
145.02808	2.1
146.03564	2.5
147.04425	23.9
148.05109	2.2
149.02327	1.1
150.03084	1.2
151.00262	0.8
151.03922	5.6
152.06982	1.0
153.01857	1.0
153.05345	0.9
159.04439	4.8
160.05125	0.9
161.02379	3.9
161.04407	1.2
161.05893	1.0
161.13228	1.2
162.01923	0.8
162.03139	9.5
162.06718	1.9
163.03918	35.2
164.04227	1.0
165.01831	1.1
165.05373	0.8
173.02400	4.9
174.03162	7.1
175.02715	0.5
175.03922	5.2
175.07451	1.0
177.04082	0.8
177.05498	11.0
178.05951	1.2
179.03424	1.7
179.05527	1.0
185.02219	0.8
187.03889	1.9
187.11299	0.9
188.04724	14.5
189.05463	3.9
191.03447	1.0
193.05048	5.1
193.12204	2.3
203.03426	1.7
204.04166	1.0
205.04956	1.6
227.09108	0.7
229.17981	2.7
249.05984	2.1
249.08688	2.5
265.15298	0.7
266.05954	0.8
267.07104	4.6
267.62628	0.7
269.08032	1.0
278.05930	1.1
279.06555	0.8
280.07434	1.1
283.06055	2.9
285.04050	3.2
295.06055	2.5
297.07819	1.4
298.08466	32.1
299.08786	3.0
301.20221	1.0
309.07672	1.5
310.08331	3.3
311.09103	0.8
313.10797	100.0
314.11099	8.5
325.07495	1.2
325.10831	7.2
328.09375	0.8
329.10538	0.9
331.17618	2.0
332.92007	0.7
340.09378	2.2
343.08163	3.1
343.11859	28.4
344.08621	0.8
344.12271	2.7
357.09851	1.5
358.10562	14.4
359.10962	1.2
373.12933	97.3
373.18427	9.1
373.22568	2.1
373.26096	1.5
374.13223	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84647	0.6
57.03320	2.0
59.01237	1.0
64.40371	0.7
69.18620	0.7
71.37992	1.3
87.99781	0.7
113.09602	0.9
174.24797	0.7
221.19052	30.8
222.19380	3.0
237.18652	0.8
239.20079	3.9
257.21204	1.5
262.06067	0.7
265.18057	20.4
266.18478	1.0
283.19144	21.0
283.22339	1.3
284.19742	1.5
301.20197	100.0
302.20526	7.5
329.19589	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91261	0.5
59.01258	3.4
59.15585	0.4
71.05624	0.9
71.05962	1.0
85.02840	1.8
97.40879	0.4
109.99984	7.2
111.00791	0.7
113.02367	1.1
122.39434	0.4
124.01572	0.6
125.02338	5.3
137.99498	8.0
138.03082	0.5
139.00270	6.6
151.03966	0.6
152.01068	2.0
153.01851	100.0
154.02660	8.6
155.03400	1.1
158.27452	0.5
166.02541	0.6
167.03426	4.6
168.04211	36.4
169.01294	1.0
169.04993	10.7
195.63008	0.6
270.09372	0.5
373.11407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98692	0.6
57.03315	1.3
59.01255	6.5
60.66496	0.6
69.50115	3.4
69.50530	0.8
71.01245	2.9
72.99170	1.5
73.02819	0.6
75.00755	0.8
80.66971	0.5
83.01289	0.8
85.02827	9.8
89.02320	1.6
96.95879	1.1
101.02340	1.6
109.99989	8.2
111.00810	1.0
113.02329	2.2
119.03315	0.5
123.00761	1.1
123.04453	0.5
124.01498	0.8
125.02338	7.6
129.01808	0.7
134.03610	1.1
136.01547	0.9
137.99483	9.6
139.00275	6.4
139.03873	0.6
147.02945	1.1
149.05977	0.6
150.03093	0.6
151.00304	0.8
151.03917	1.3
152.01082	2.8
152.04669	1.3
153.01842	100.0
154.02640	9.3
155.03366	1.7
164.01001	0.5
165.05539	0.7
166.02600	1.1
167.03423	6.1
168.04199	47.9
168.67665	0.5
169.01265	0.8
169.04977	18.3
170.05325	0.7
177.01782	0.7
178.02658	3.4
179.03403	0.6
181.01553	0.6
181.05031	0.9
191.01901	2.1
193.04976	6.3
211.06065	1.4
247.59074	0.6
294.22247	0.6
313.09457	0.9
343.10532	0.9
352.00049	0.6
373.11496	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	372.2392
Annotation	O-(11-carboxyundecanoyl)carnitine
Peak:m/z	Relative Intensity
59.01255	4.1
66.23360	0.8
70.02831	1.0
70.32066	0.8
70.87830	2.5
71.01260	18.8
83.38114	0.9
85.02806	1.1
88.03920	92.3
96.99178	2.3
97.67033	1.1
99.11645	0.8
114.01871	1.4
115.00272	23.5
116.00583	1.0
132.02946	7.0
132.64186	0.9
144.93042	0.8
211.20615	2.8
212.95027	0.8
236.20163	13.1
238.21733	5.5
254.21254	1.4
256.22803	13.9
257.18613	1.8
257.21198	27.4
257.61725	0.9
258.21423	1.8
270.07245	0.8
282.20822	4.5
282.23660	0.9
300.21957	0.8
313.23990	1.6
321.74893	0.9
328.24908	15.8
328.28754	0.8
331.24866	3.9
354.22745	1.5
372.23911	100.0
373.24185	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55835	0.5
59.01253	100.0
60.01591	1.0
61.70153	0.5
63.37447	0.6
71.01233	1.3
73.92527	0.7
99.55029	0.6
141.09792	0.6
206.59590	0.5
272.53494	0.5
278.55420	0.6
343.02972	0.6
371.17435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62334	1.2
57.03307	1.4
59.01255	100.0
70.91825	3.8
71.01253	6.0
72.99187	1.5
73.02840	3.1
75.00752	2.2
75.78139	1.2
80.20869	1.3
85.02825	2.7
87.00764	1.5
89.02328	2.8
95.01255	1.6
99.00738	2.2
99.82089	1.3
101.02327	2.6
113.02339	4.5
121.02837	4.3
130.08643	2.6
161.04431	1.7
167.03429	3.6
173.92390	1.5
249.06082	3.9
315.38257	1.3
371.16965	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	371.171
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
51.00880	0.9
53.89149	0.8
57.03314	1.4
58.00455	1.5
59.01252	100.0
60.01588	1.3
71.01257	12.3
72.99159	2.5
73.02803	3.7
73.03200	1.0
75.00712	0.9
83.01263	2.3
83.04934	1.3
85.02821	8.2
85.99905	0.9
87.00730	1.1
89.02321	8.2
89.59565	1.0
89.93812	0.9
98.19753	2.6
99.34949	1.0
101.02328	12.0
103.03885	3.3
109.06481	1.0
113.02320	3.1
114.05546	0.9
119.03386	4.3
119.93303	0.9
125.02314	2.4
145.06075	1.5
146.20456	1.0
147.11688	4.1
152.01050	1.1
161.04486	2.2
163.11205	4.8
166.02632	5.4
167.03383	4.3
207.10173	15.0
209.02940	1.4
211.19067	1.1
220.73538	1.0
227.16426	2.2
230.60764	1.7
251.16411	1.5
311.13885	1.2
371.17096	77.0
372.17627	7.1
386.73077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19625	0.9
52.56038	1.0
54.89839	1.1
55.01741	1.1
57.03328	4.5
58.00477	1.2
59.01253	20.8
67.01736	1.3
68.99695	3.6
69.03356	2.0
69.40865	10.1
71.01257	21.6
71.01611	1.7
72.99181	4.5
73.02812	3.1
75.00750	21.2
83.01270	1.8
85.02826	19.5
87.00304	1.2
87.00748	5.8
89.02321	3.5
95.01267	4.6
99.00745	10.1
103.00294	1.5
111.00745	1.4
113.02335	22.5
113.73230	1.1
115.00277	2.3
117.01844	1.6
121.02845	100.0
122.03194	2.8
123.04399	2.6
124.47383	1.0
129.01852	1.3
134.03703	1.7
137.50615	1.2
167.03458	3.9
175.02454	3.6
177.04025	1.5
231.05066	5.6
249.06137	61.6
250.06487	3.4
265.20752	1.3
371.09848	31.8
372.09998	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	371.1136
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
52.42341	2.9
55.01773	2.9
58.72065	2.6
59.01249	31.2
60.53885	2.4
71.01244	6.8
71.57867	4.2
75.00715	2.4
75.39048	2.4
76.24313	2.3
83.01267	3.1
84.02477	2.3
85.02812	8.2
88.03915	45.0
88.04408	4.1
101.02294	3.1
108.02040	3.0
113.02274	3.7
119.04922	28.4
121.02863	6.0
123.04354	5.1
125.02346	2.4
145.02835	3.8
146.03665	2.3
147.04424	61.8
148.05212	50.9
149.02377	2.9
150.03143	4.7
151.03929	6.4
153.05525	3.3
161.05971	13.6
162.03152	10.7
162.06757	4.6
163.03912	4.5
163.07545	4.1
164.04715	5.1
174.03207	4.1
175.03880	3.0
176.04672	13.1
180.04195	8.1
189.05516	7.6
190.06409	4.1
191.03424	100.0
191.07057	91.3
191.08852	3.1
192.04056	10.2
192.07364	7.2
194.05695	7.6
206.05772	16.9
209.02957	4.4
220.03688	18.5
224.03204	15.9
224.05243	3.4
233.04434	7.3
234.05168	6.4
235.06004	38.4
235.08017	3.5
238.04781	37.2
239.07068	4.0
239.45178	3.2
245.90257	2.4
249.05466	3.3
251.07071	8.6
253.14468	2.9
262.06384	2.9
263.07269	4.5
267.06564	20.2
268.07361	14.4
279.06592	9.2
282.08862	5.7
283.09720	7.0
284.10608	3.6
294.05609	3.0
294.08960	8.6
295.06152	6.2
297.11292	3.3
299.12823	7.9
309.07855	11.4
309.30658	2.6
312.06549	4.6
321.07828	2.9
322.08365	3.0
323.05511	13.7
327.08585	9.2
327.12378	16.9
338.07889	18.0
341.10373	18.3
353.10251	37.6
354.10699	3.6
371.11343	83.7
371.16141	5.5
371.24515	3.8
372.11725	8.1
372.20059	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19601	1.3
55.01755	1.9
57.03308	3.6
59.01255	22.7
65.24104	1.1
65.67336	1.3
67.38627	1.2
69.64153	10.1
71.01257	22.5
71.18496	1.2
72.99178	8.1
73.02828	2.4
75.00748	24.2
83.01240	1.3
84.98918	1.2
85.02825	24.6
85.30531	1.4
87.00775	8.4
89.02316	5.7
95.01263	5.7
99.00755	10.3
101.02332	3.2
103.00243	4.6
107.14270	1.3
108.86029	1.3
113.02338	32.3
115.00264	2.7
117.01839	2.3
117.03305	1.7
121.02850	100.0
122.03128	2.8
129.01843	4.6
133.85556	1.2
134.03632	7.8
150.03127	6.2
165.05498	8.5
167.03381	3.2
175.02368	3.2
193.03458	2.2
193.04977	9.5
195.05052	10.0
209.02837	1.9
209.04561	2.6
223.02806	1.4
231.05103	4.4
249.06180	26.4
371.09811	50.1
372.10046	5.7
392.83240	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	9.5
59.01255	34.0
59.17777	4.5
61.54131	3.8
70.74675	13.8
71.01242	20.0
84.02052	6.4
85.02345	7.9
85.02825	100.0
87.00745	12.8
89.02326	9.9
129.01833	10.6
134.03627	12.9
147.02858	6.3
152.75868	4.7
191.01900	28.4
209.02986	97.7
349.66019	4.3
371.09851	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	369.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
89.02323	3.4
89.88393	0.9
91.03884	9.5
91.28674	0.8
93.03364	1.1
94.63633	0.9
103.62543	0.9
113.09570	2.4
119.04911	3.8
140.43478	0.9
179.10606	0.9
179.14337	1.0
195.13838	16.5
196.14201	1.1
277.18530	1.5
277.21716	15.0
278.22250	1.4
295.22781	100.0
296.23148	10.6
315.67700	1.0
350.14902	0.9
354.12552	1.9
369.14554	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	370.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19845	0.8
57.03318	1.0
58.00471	4.6
59.01252	87.1
69.64158	1.5
69.64562	6.6
70.02847	7.4
71.01254	63.1
72.99190	6.0
75.00719	1.0
83.01289	2.1
85.02824	14.0
85.33945	0.7
86.03160	1.3
87.00768	2.4
89.02319	100.0
90.02667	1.4
95.01279	2.2
101.02324	36.0
111.00762	1.1
113.02330	27.9
114.02702	1.0
119.03392	39.6
129.01825	1.7
131.03410	3.7
135.04431	0.8
143.03387	6.0
149.04485	3.5
161.04469	4.4
179.05542	8.8
190.08669	15.9
191.01965	2.1
194.52687	1.0
209.02957	6.3
258.70282	1.0
289.95889	0.9
368.03052	0.9
370.15137	6.3
370.89810	0.9
371.14938	1.2
382.21805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.5
58.00468	5.4
59.01249	100.0
69.44942	6.9
69.45368	9.9
70.02860	9.9
71.01253	67.2
72.99195	7.4
76.13272	2.0
83.01265	4.6
85.02825	22.4
87.00750	3.6
89.02319	99.3
92.45393	2.1
95.01277	2.5
101.02325	31.0
113.02328	29.6
119.03387	37.1
125.02341	3.0
133.01384	2.3
134.03679	2.6
143.03415	5.8
146.30818	1.8
149.04466	4.8
161.04486	3.9
167.03421	8.5
179.05466	9.6
190.08629	15.7
191.01869	4.6
209.02940	10.7
209.04655	3.6
288.44434	2.0
370.15128	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	369.228
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
59.01259	3.5
61.69883	0.6
71.01276	0.7
71.57156	0.5
71.57529	0.7
75.54646	0.6
76.95005	0.5
87.15933	0.5
89.02333	1.5
91.03887	4.3
105.26941	0.5
151.07591	1.6
156.11470	0.5
164.08334	0.7
170.05765	4.4
171.10197	7.1
195.13846	2.8
233.19040	1.8
251.20099	2.5
277.18097	100.0
277.21582	9.7
278.18436	11.2
278.21732	0.9
295.19159	56.2
295.22778	41.0
296.19504	5.1
296.23108	3.6
369.22806	62.5
370.23126	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	369.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
68.25443	0.9
71.57434	1.7
82.22196	0.9
82.96349	0.8
89.02326	2.1
91.03902	4.8
110.46257	1.1
169.20364	1.0
170.05757	3.7
171.10248	5.9
195.13814	5.7
251.20308	1.7
277.18118	100.0
277.21582	11.1
278.18484	8.4
278.22101	1.9
295.19153	53.4
295.22778	49.8
296.19543	4.4
296.23080	4.1
369.22800	67.9
370.23041	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.2
56.25852	1.3
56.36356	1.1
57.03332	7.9
58.00466	1.7
59.01253	98.9
69.03328	2.8
69.38070	12.1
71.01258	37.8
72.99185	3.8
73.02817	9.0
77.08844	1.2
83.01260	12.4
84.10964	1.2
85.02824	33.3
85.99984	2.6
87.00739	3.2
89.02322	7.6
93.03352	1.3
95.01261	7.4
97.02818	3.2
98.19851	3.0
99.00745	6.1
101.02321	22.0
102.02623	1.4
106.04139	4.4
112.01568	5.5
113.02337	26.2
115.53912	1.1
115.84592	1.5
117.03371	3.0
118.04932	1.8
119.03426	2.0
119.04924	3.4
121.06478	3.4
123.04440	1.3
125.02332	1.9
125.60116	1.3
129.00868	1.4
133.39111	1.3
143.03418	1.6
145.02852	11.5
161.04466	2.4
163.03932	1.5
165.05452	2.9
165.09131	98.2
165.99651	1.5
166.09450	5.3
177.09108	2.4
195.13875	1.6
221.11711	1.2
225.15012	2.0
227.03458	5.4
235.14488	2.8
249.11285	2.0
255.02945	10.7
256.03339	1.5
277.14218	2.0
279.12283	2.4
284.03232	9.6
285.03769	2.4
291.08698	3.2
309.13437	100.0
310.13742	8.6
327.14484	76.1
328.14893	8.6
369.09439	2.7
369.15195	2.6
369.19293	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	369.1343
Annotation	Fragransol D
Peak:m/z	Relative Intensity
56.89700	0.7
59.01254	6.8
63.21033	0.7
66.62965	0.7
69.03388	1.4
70.57742	0.8
71.00973	1.4
71.01327	4.3
73.02871	1.6
80.19958	0.6
80.58109	0.7
82.72614	0.7
85.02913	2.9
88.91297	0.7
96.95972	0.8
101.02396	2.7
104.42147	0.9
105.39098	0.8
113.02421	2.4
119.05176	0.8
121.02923	0.9
123.00858	1.0
128.50992	0.7
130.08691	2.0
132.02057	3.6
135.04468	0.9
138.03185	1.4
145.02930	1.9
146.03737	3.2
147.03049	0.9
160.01572	13.2
161.02353	1.6
161.06059	1.6
163.04060	1.0
164.04814	1.7
165.05595	2.6
175.04016	1.4
177.09222	1.7
179.07059	8.5
187.03958	0.8
195.08328	0.8
203.07140	0.9
211.07660	1.4
216.07878	0.9
221.06076	2.2
222.06812	4.2
223.03899	1.2
223.07610	2.5
224.08446	2.5
225.05652	2.5
226.06192	2.3
227.03442	1.1
229.25050	1.0
233.06082	1.1
235.07664	1.2
237.05621	1.4
238.06348	1.8
239.07262	3.0
240.07925	8.5
243.06508	6.0
244.07365	6.2
249.05609	1.9
250.06467	2.6
251.07103	5.8
252.07855	2.5
253.05223	0.9
255.03105	1.4
255.10233	4.2
261.05511	1.4
262.06415	2.5
263.07159	2.0
265.05231	1.1
265.08676	1.2
267.06693	2.7
267.10236	2.5
268.07431	16.8
269.07764	1.8
277.05179	0.9
278.05930	1.5
279.06665	6.9
280.07388	17.6
281.07990	3.9
283.09741	16.0
284.03149	1.3
290.05960	1.1
291.06638	2.2
293.08124	5.1
294.09048	1.6
295.06226	4.2
295.09448	1.4
296.06824	13.7
296.09851	1.0
297.07343	2.1
306.05347	1.2
307.06052	5.8
308.06940	19.7
308.10190	0.9
309.07626	17.7
309.10861	1.3
310.08185	2.5
311.09222	8.5
321.07767	6.2
322.08456	9.0
323.05408	2.0
323.09229	38.7
324.06372	19.9
324.10031	14.6
325.06927	1.7
325.10501	0.9
337.10809	9.5
338.11609	21.8
339.08731	100.0
339.12262	8.5
340.09076	9.5
340.12698	1.0
353.10312	9.1
354.11099	68.7
355.11337	7.3
369.13409	46.0
370.13748	6.5
370.18463	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	8.2
57.03328	18.7
58.02843	10.7
59.00996	3.9
59.01259	43.6
60.48702	2.9
71.01260	58.6
71.58154	4.0
72.99191	12.9
73.02812	6.2
74.42244	2.7
83.01257	29.7
85.02827	100.0
87.00764	6.6
89.02322	10.3
96.95870	4.4
99.00759	7.3
101.02335	5.7
111.00768	25.3
113.02333	8.6
115.00266	7.2
117.03327	8.6
119.04926	76.9
125.02372	4.1
126.05496	7.3
129.01840	36.6
133.01335	4.2
143.03377	11.5
145.02870	28.5
146.08150	20.0
147.02910	4.0
147.04434	3.7
147.08426	5.8
152.08363	5.0
153.08995	4.3
154.99771	5.0
156.23466	3.3
163.03922	65.2
165.05472	3.4
170.08168	6.8
171.08574	3.5
173.00867	32.1
191.01923	41.9
205.70322	3.9
223.04503	21.3
227.03612	6.5
231.06525	9.0
255.02930	11.6
284.03418	7.6
337.05402	3.7
368.17316	5.3
369.17490	9.8
393.79434	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.3
57.03321	17.3
59.01249	14.9
68.49580	2.8
71.01266	16.1
72.99163	3.2
75.00759	3.8
83.01263	17.9
85.02824	100.0
101.02326	6.3
111.00762	34.5
112.81320	2.5
119.04919	40.4
129.01837	34.2
143.03427	3.7
145.02837	3.3
145.06583	7.1
147.02913	3.9
148.83786	2.6
151.00310	3.4
159.23192	3.1
163.02689	4.0
163.03920	43.4
177.01872	3.5
177.73546	3.1
189.05467	8.5
191.01913	5.5
205.03519	23.0
218.90387	2.8
223.04561	34.4
229.70966	3.3
244.36789	2.7
284.03015	3.0
285.03699	3.0
393.50385	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.4
57.03315	14.5
59.01254	17.3
69.45140	8.9
69.45566	17.5
71.01256	20.5
72.99171	7.0
73.02832	4.7
75.00746	5.3
79.95561	3.7
83.01268	15.2
85.02824	100.0
87.33630	3.3
96.95890	12.1
99.00787	5.9
101.02341	8.9
103.00266	4.3
105.49298	3.4
111.00775	29.7
113.02316	3.4
119.04908	26.5
122.05955	4.4
125.02264	4.1
129.01846	23.3
134.22670	3.0
143.03371	5.0
147.02901	3.9
163.03912	24.9
164.07089	3.8
173.00827	4.1
179.92947	3.6
191.01926	26.2
205.03490	23.4
222.39754	3.2
223.04544	58.7
225.42162	3.1
227.03491	3.5
254.52338	3.8
255.03006	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	8.2
57.03328	18.7
58.02843	10.7
59.00996	3.9
59.01259	43.6
60.48702	2.9
71.01260	58.6
71.58154	4.0
72.99191	12.9
73.02812	6.2
74.42244	2.7
83.01257	29.7
85.02827	100.0
87.00764	6.6
89.02322	10.3
96.95870	4.4
99.00759	7.3
101.02335	5.7
111.00768	25.3
113.02333	8.6
115.00266	7.2
117.03327	8.6
119.04926	76.9
125.02372	4.1
126.05496	7.3
129.01840	36.6
133.01335	4.2
143.03377	11.5
145.02870	28.5
146.08150	20.0
147.02910	4.0
147.04434	3.7
147.08426	5.8
152.08363	5.0
153.08995	4.3
154.99771	5.0
156.23466	3.3
163.03922	65.2
165.05472	3.4
170.08168	6.8
171.08574	3.5
173.00867	32.1
191.01923	41.9
205.70322	3.9
223.04503	21.3
227.03612	6.5
231.06525	9.0
255.02930	11.6
284.03418	7.6
337.05402	3.7
368.17316	5.3
369.17490	9.8
393.79434	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.2
57.03324	16.5
58.00473	1.8
59.01249	30.7
67.29681	1.2
68.99684	1.6
70.37687	1.3
71.01255	70.5
71.35388	2.7
72.99176	6.4
73.02814	5.2
74.02326	2.8
75.00741	2.8
77.42033	1.3
83.01272	11.3
84.02045	2.9
85.02825	100.0
86.03156	2.8
87.00762	6.9
89.02322	13.7
95.01273	10.8
97.02815	1.7
99.00766	8.4
101.02327	9.9
111.00788	6.8
113.02331	55.3
115.00271	4.5
117.03345	1.7
119.04910	36.1
123.04427	2.7
123.08067	3.5
125.02314	1.6
129.01834	11.1
133.01306	3.7
135.07979	1.6
143.03395	6.4
145.02881	13.9
147.02896	6.0
149.02377	3.2
150.03133	8.8
151.00281	2.3
161.04405	4.1
163.03926	46.9
163.05963	1.8
165.05484	17.3
165.09138	1.8
173.00819	5.4
191.01898	36.1
195.13853	8.4
197.15385	1.4
205.03378	1.8
206.99278	2.8
207.13770	3.8
223.04507	24.9
225.14911	15.8
227.03410	5.1
231.06622	5.1
255.03070	6.7
283.02448	2.5
284.03192	11.6
285.03882	3.0
296.06949	2.1
309.13409	2.5
369.09955	2.5
369.19931	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.6
59.01255	5.4
63.72373	0.9
71.01218	1.0
71.57533	1.0
73.87547	1.1
82.69393	0.8
113.09620	16.4
121.02829	1.7
128.46889	1.2
139.11194	0.9
167.10716	2.2
177.12837	1.7
179.10626	1.9
195.13835	1.8
209.11778	1.0
249.22078	2.1
265.17834	1.1
286.80606	0.9
293.21231	100.0
294.21603	8.9
323.35565	1.0
331.54593	1.1
384.89954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99003	1.2
59.01252	7.9
71.12727	3.7
89.02343	2.7
91.03886	11.1
121.02845	2.3
171.10164	1.5
195.13884	6.4
223.13393	6.0
256.13345	2.2
275.20184	5.7
276.20520	1.4
277.15240	1.4
293.21222	100.0
294.21518	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	367.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99003	1.2
59.01252	7.9
71.12727	3.7
89.02343	2.7
91.03886	11.1
121.02845	2.3
171.10164	1.5
195.13884	6.4
223.13393	6.0
256.13345	2.2
275.20184	5.7
276.20520	1.4
277.15240	1.4
293.21222	100.0
294.21518	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	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01247	0.6
64.58935	0.7
84.80434	0.8
93.90237	0.8
131.39529	0.7
133.06485	9.2
149.09625	96.6
150.09995	3.9
205.15921	51.6
206.16306	4.2
208.38470	0.8
218.95227	0.7
224.18462	0.7
294.62646	0.7
295.17020	3.0
328.16785	2.6
367.26407	100.0
368.26761	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63739	0.4
57.03321	3.5
59.01263	3.2
68.77501	0.4
69.23048	4.8
69.59686	0.5
74.15997	0.4
81.03318	0.5
91.03882	0.6
97.06451	1.0
109.06450	1.0
113.09612	16.6
114.09969	0.5
115.92868	0.4
120.63663	0.4
131.11812	0.4
139.11191	2.3
149.09601	0.6
167.10747	2.5
177.12747	1.3
179.10698	1.4
180.63062	0.5
195.13881	2.5
199.26765	0.5
249.22211	1.7
275.20218	0.6
293.21231	100.0
294.21567	11.3
330.05560	1.0
360.60657	0.5
384.78629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01242	5.4
71.29289	1.5
71.57487	2.6
85.02827	3.9
93.20241	1.6
101.02322	7.1
103.32375	1.6
113.02328	3.2
116.49021	1.7
119.04939	3.3
121.09183	1.8
125.03100	1.9
161.04457	3.0
163.03889	3.4
170.45862	1.4
189.67291	1.8
265.12915	8.4
321.55774	1.7
326.48080	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	366.1559
Annotation	Isatidine
Peak:m/z	Relative Intensity
59.01248	5.6
68.99678	1.2
69.70593	3.3
71.01240	1.3
83.53429	0.7
94.02876	0.6
96.99197	1.2
99.00780	0.8
106.34452	0.4
111.00711	0.5
113.99468	1.4
118.02845	2.0
134.09679	0.5
135.08156	0.4
147.23210	0.4
160.03903	0.5
162.12785	1.1
163.02673	0.8
164.14317	3.5
176.03430	1.7
177.04234	14.6
190.04996	1.5
190.12321	3.0
192.02910	0.7
204.13875	1.6
205.12135	0.5
208.13358	4.2
209.03244	5.2
222.14929	1.0
232.13332	0.8
234.14899	1.3
262.14410	1.3
288.12442	17.8
289.12665	1.5
306.13470	100.0
307.13858	7.4
318.13391	1.7
324.58218	0.5
330.13272	0.5
340.37878	0.5
348.14496	2.7
366.15567	88.0
367.16061	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	367.1399
Annotation	8alpha-Acetoxy-10alpha-hydroxy-13-O-methylhirsutinolide
Peak:m/z	Relative Intensity
57.03321	1.3
59.01250	7.4
59.02309	0.5
62.29170	0.6
62.50290	0.6
62.94376	0.5
63.32779	0.6
69.03315	2.2
69.71902	1.7
69.72311	2.0
71.01268	4.2
72.99168	1.4
75.00745	2.5
75.40352	0.6
81.03338	0.9
83.04891	2.7
87.00767	0.9
91.85862	0.7
93.03313	0.7
95.01285	1.0
95.04899	1.8
97.02836	1.3
98.20519	1.2
99.00762	26.3
107.04887	1.2
108.02058	2.3
109.02817	0.8
109.06462	1.4
111.00743	0.9
112.01544	1.8
115.00254	2.6
117.05558	0.6
119.04940	1.1
121.02856	1.2
122.03635	1.3
123.00763	1.0
124.01569	1.1
124.98650	1.0
125.02316	1.1
133.93958	0.6
135.04405	0.6
136.01543	1.9
138.03156	1.1
140.01050	6.3
144.00528	1.2
147.04411	1.1
147.08026	0.6
148.05199	15.8
149.02284	0.6
149.05717	0.8
150.03133	1.4
151.03923	0.9
156.00543	2.5
163.03912	5.9
163.07539	10.5
164.04701	6.3
164.07848	1.0
166.02621	1.7
167.06023	1.1
175.03915	1.6
177.05466	7.1
177.12698	1.0
178.05998	0.8
179.00221	0.6
189.12839	1.2
191.14360	1.0
192.04202	2.3
193.12225	1.0
199.13297	4.4
201.12802	1.0
203.14406	0.7
205.12338	1.8
207.13853	3.0
209.07149	0.8
217.12354	1.9
219.13948	0.7
221.11778	1.4
221.15370	0.8
223.13409	3.6
231.13892	0.8
233.11818	1.5
234.12254	0.7
235.13438	2.0
243.13876	1.0
245.11775	2.5
247.13380	0.7
249.14835	1.0
251.12892	2.1
259.13486	1.2
261.11343	4.0
261.15021	1.8
263.12912	2.3
265.14471	1.3
275.13074	0.6
277.11096	0.6
277.14441	1.4
278.11792	0.7
279.12411	10.5
287.12897	2.4
289.10818	2.7
293.13922	1.0
305.13940	2.9
307.11865	36.3
308.12280	2.4
309.13678	0.7
319.11893	1.1
331.11652	1.1
337.13138	3.5
349.12866	5.6
367.13971	100.0
368.14374	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04967	1.2
59.01241	8.5
68.81954	1.1
69.37131	12.7
71.04516	2.3
71.04892	21.5
87.30103	1.3
89.02283	1.1
97.06462	7.2
124.25298	1.4
201.02380	2.4
207.13824	2.7
219.13806	2.3
235.17050	2.9
281.11594	1.4
282.09006	1.4
291.19659	100.0
292.19937	9.1
365.23425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.6
71.58000	1.3
72.76118	1.0
97.06445	1.9
101.32874	1.0
117.28609	0.9
120.07548	0.9
121.10117	6.0
123.08026	0.9
125.09622	4.6
126.24693	0.9
127.11214	1.1
147.08026	1.5
153.12747	1.4
181.87796	1.0
185.11771	7.4
197.11868	1.3
201.02417	1.8
203.14351	1.2
213.24567	0.9
247.20586	1.6
263.20093	5.0
273.18683	5.5
291.19666	100.0
292.19992	8.1
365.23648	3.2
370.46552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
56.12927	0.4
59.01242	1.6
74.43241	0.5
83.04863	0.5
85.29987	0.5
98.19757	0.8
111.75750	0.5
115.06166	0.5
137.05977	0.5
137.09612	0.4
150.83099	0.4
155.14337	1.4
165.12773	2.7
181.12247	2.0
199.13339	30.7
200.13676	1.6
283.26385	0.7
347.25934	4.3
365.26941	100.0
366.27325	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01257	1.0
68.52393	0.5
71.34189	1.1
77.07716	0.5
82.01121	0.5
85.06461	2.8
86.67052	0.5
101.05649	0.5
128.19940	0.5
162.71851	0.5
172.96611	0.5
199.13368	1.7
230.43767	0.5
261.18445	0.6
279.19656	18.2
280.19998	1.8
283.26376	0.9
347.25922	8.5
348.26450	0.9
365.26971	100.0
366.27328	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	366.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77461	0.3
54.51726	0.2
59.01242	0.4
68.29715	0.3
70.14058	0.9
70.14474	0.5
79.46881	0.3
83.26981	0.3
98.19927	0.3
99.79177	0.3
116.04943	5.3
117.05325	0.3
132.04448	0.4
140.94601	0.3
149.64919	0.3
159.03175	0.7
159.60887	0.3
160.03952	100.0
161.04292	4.2
204.02956	4.5
211.54497	0.2
221.79288	0.3
262.06107	0.3
324.15509	0.3
366.08276	12.7
367.08514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35371	0.5
59.01252	100.0
59.54134	0.6
60.01589	0.8
62.58728	0.5
69.41877	0.8
69.42285	5.5
71.01269	1.1
72.99172	0.6
85.02841	1.5
113.02277	0.6
127.05676	0.6
153.96198	0.6
160.03947	0.8
227.18443	0.7
261.30734	0.7
362.50131	0.7
365.19690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01257	3.8
69.92622	3.1
83.04901	1.4
89.02292	0.5
91.03932	0.5
98.19898	0.7
111.08039	7.3
118.04736	0.5
121.10114	3.9
123.08076	0.7
125.09588	1.5
137.09540	0.5
138.66931	0.5
167.10674	1.3
172.73459	0.5
177.12791	2.0
179.10780	1.2
185.11784	3.7
195.13855	5.0
209.11862	1.0
247.20560	2.8
256.37253	0.6
273.18475	3.2
291.19669	100.0
292.20041	9.1
365.15036	0.8
365.23331	1.4
365.27368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
58.00463	1.1
59.01254	38.2
69.03310	1.4
71.01254	16.1
71.04895	3.6
71.06084	2.3
72.99181	2.7
73.02831	1.4
77.17023	0.8
83.01249	2.6
85.02824	5.1
87.00748	1.6
89.02327	14.9
96.95913	0.9
101.02328	13.3
113.02324	6.4
119.03374	7.7
123.78452	0.9
127.11145	1.1
137.09547	1.0
155.10678	2.9
157.12262	15.0
161.04489	1.4
185.11865	1.8
187.13359	1.8
188.37823	1.0
199.13383	2.0
203.12833	48.3
204.13185	2.3
245.13907	1.3
247.15428	1.4
258.65134	1.0
268.56921	1.1
290.53528	1.0
365.18152	100.0
366.18640	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53437	1.2
52.40921	1.2
53.94137	1.1
59.01252	100.0
60.01580	1.5
63.33886	1.3
69.44827	12.3
71.01263	1.4
78.97900	1.4
79.34953	1.1
82.60129	1.1
85.02858	1.4
95.04821	1.4
98.20633	1.8
99.51502	1.4
153.01894	1.7
160.03955	1.7
160.53900	1.3
168.25159	1.2
177.04219	5.8
179.14255	1.3
190.12300	1.8
204.13821	1.8
208.13330	2.9
209.03326	2.1
213.64186	1.6
232.13455	1.6
235.09113	1.3
288.12497	7.5
306.13446	54.2
366.15564	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04053	0.5
57.03313	2.1
58.00447	0.7
58.74541	0.5
59.01250	13.6
63.84117	0.5
64.30283	0.5
67.01784	0.6
68.68856	0.5
68.99696	1.3
69.03323	1.1
70.11969	0.5
71.01254	13.8
72.99185	4.0
73.02810	1.6
75.00748	15.0
75.55302	0.5
83.01250	1.2
85.02824	16.1
87.00757	6.2
87.65376	0.5
89.02317	3.9
89.85448	0.5
93.03321	0.6
95.01261	3.7
99.00755	7.8
101.02330	1.0
102.36652	0.5
103.00258	1.7
111.00778	1.1
113.02333	18.8
114.02660	0.7
115.00251	1.7
115.07534	100.0
116.07858	3.2
117.01816	2.1
129.01797	1.4
138.78279	0.5
157.01314	0.6
163.85437	0.5
170.34468	0.5
175.02457	1.3
202.02715	1.0
203.03238	0.6
231.05089	2.7
249.06152	19.3
267.07159	0.6
293.91803	0.5
305.12347	0.7
347.13528	2.2
365.14487	50.9
366.14856	4.5
389.25830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98102	0.7
57.03311	1.7
58.00475	1.7
59.01252	39.9
67.01746	1.0
69.75120	5.1
71.01256	19.4
71.01653	1.1
72.99198	2.5
73.02824	1.5
75.00744	2.1
83.01266	1.2
85.02816	6.1
87.00742	2.4
89.02321	18.0
95.01255	1.7
99.00761	1.2
101.02323	13.2
101.05965	21.8
113.02329	8.8
113.09576	1.6
116.04947	1.5
119.03385	7.8
125.02288	1.0
127.11243	1.0
132.04491	0.9
141.09148	0.8
142.06532	10.0
143.03413	1.2
155.10649	3.7
157.12250	16.8
158.05998	1.1
158.12587	0.9
161.04558	1.3
171.13803	0.8
185.11765	3.8
186.05573	4.4
187.13374	1.6
199.13368	2.2
203.12837	50.4
204.06570	3.9
204.13150	2.5
217.10728	3.3
219.72641	0.7
245.13884	2.2
263.07657	1.4
289.11884	1.2
289.29507	0.9
332.59949	0.9
333.11490	0.8
342.13330	0.9
365.18170	100.0
366.11771	6.1
366.18588	7.4
387.64310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1813
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
51.84615	0.6
59.01233	1.6
62.36999	0.4
64.04826	0.5
69.35378	5.6
71.01253	0.6
72.64587	0.5
74.97437	0.5
84.74611	0.5
91.01778	0.6
98.20570	0.9
122.46361	0.5
135.00697	0.8
135.08099	0.6
137.09605	2.2
153.99217	0.5
165.05449	2.0
165.09149	0.9
215.04810	0.5
239.14285	0.8
241.15941	47.6
242.16257	4.2
244.15025	0.5
255.17607	4.4
257.19086	21.8
258.19385	1.6
275.20157	5.8
283.06076	2.7
283.17065	5.2
301.18094	58.7
302.18503	4.5
319.19122	8.3
320.19446	0.6
327.15814	0.6
345.17053	16.0
346.17450	1.7
363.18121	100.0
364.18448	9.9
364.40854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
57.03331	0.7
57.56828	0.5
59.01253	5.3
59.96169	0.4
71.01252	1.3
71.09225	1.1
73.02813	1.3
82.86018	0.4
85.02821	1.2
86.52081	0.4
87.47787	0.4
89.02308	0.4
97.08383	0.4
98.13231	0.5
101.02319	1.1
108.33371	0.5
108.69707	0.4
111.00682	0.5
113.02310	0.7
115.07527	1.4
115.78191	0.5
120.74178	0.4
123.46706	0.4
139.00331	0.4
145.02797	1.1
157.97368	0.4
158.03647	15.1
159.04449	5.3
161.04436	0.5
162.05528	1.8
171.04427	2.8
175.03986	0.7
176.17682	0.4
201.01881	0.9
201.05489	2.7
202.02660	100.0
203.03181	8.2
213.05589	2.5
227.03522	0.6
231.06602	1.3
245.04582	0.7
275.05609	2.3
307.16492	0.5
365.08759	40.1
366.09033	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02561	0.8
57.03318	1.6
58.00465	0.9
59.01251	41.5
66.70908	0.8
67.01772	0.9
68.99693	1.1
69.30585	1.3
69.30994	8.1
71.01254	19.8
71.01616	1.7
72.99177	5.5
73.02806	4.2
75.00748	16.5
83.01266	1.6
85.02826	19.7
87.00753	6.8
89.02313	7.3
95.01247	5.5
96.95905	1.3
98.20618	1.5
99.00763	9.6
101.02313	6.1
103.00249	1.9
109.02763	0.8
111.00764	1.1
113.02327	24.4
115.00256	1.9
115.07536	100.0
116.07888	3.7
117.01833	4.4
119.03435	1.6
119.04925	1.6
129.09135	1.5
153.79903	0.9
161.04489	2.0
161.11674	1.4
175.02420	3.2
231.05132	2.0
249.06129	18.3
267.07419	1.0
305.12564	1.2
323.17065	5.3
347.13513	2.8
365.14609	48.7
366.15012	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98199	1.3
50.99145	1.4
56.33308	1.4
58.00464	2.6
59.01254	100.0
62.63012	1.3
69.03342	1.6
70.11623	1.4
71.01257	49.0
72.99184	3.3
73.02824	52.9
83.01258	16.1
85.02834	10.2
85.04742	1.4
87.00732	2.9
89.02314	23.8
95.01279	3.4
99.00736	1.7
101.02330	48.7
101.87428	1.3
102.02685	1.5
110.04761	1.4
113.02342	18.8
113.05955	1.4
113.09624	2.2
118.83990	1.2
119.03397	9.0
125.02316	1.7
131.03371	3.5
141.09111	26.9
142.09476	1.6
143.03386	3.4
149.04449	1.5
159.10190	11.9
161.04510	4.7
303.14456	18.7
321.15552	71.5
322.15836	5.4
354.78796	1.5
361.27414	1.7
363.12070	3.0
363.16611	49.7
363.23630	2.0
364.16937	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.8
57.03320	3.6
58.00482	1.6
59.01258	32.6
65.34712	1.1
71.01259	25.5
72.99187	4.3
73.02816	4.7
73.18617	1.2
75.00750	1.5
83.01244	3.7
85.02831	10.7
85.06420	1.5
87.00755	2.3
87.04395	4.8
89.02314	12.3
95.01260	2.1
96.95909	1.6
99.00758	2.5
101.02335	18.1
113.02315	10.5
113.05990	10.3
119.03407	4.6
121.10152	4.3
138.05566	1.6
139.11159	2.0
140.07094	2.0
161.04556	1.7
183.10197	10.0
194.39830	1.2
199.33484	1.3
201.11241	12.0
257.13016	1.9
267.07236	1.5
271.80139	1.4
300.03180	1.4
345.15579	3.9
363.16635	100.0
364.17123	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35758	0.3
59.01251	100.0
60.01594	1.2
69.26952	3.4
69.27362	0.9
71.01254	5.8
73.02818	4.8
78.00044	0.3
83.01278	1.4
85.02829	1.9
87.00816	0.5
89.02325	4.0
95.01262	0.5
99.00735	0.6
101.02327	4.6
103.42760	0.4
113.02335	4.1
119.03395	1.3
139.11246	0.5
142.06544	0.5
160.07553	0.7
161.04507	0.9
201.11316	1.3
239.73253	0.4
249.06232	0.8
268.03900	0.6
283.06271	0.8
304.11853	2.0
322.12961	3.4
378.12909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.3
66.97588	1.3
130.87663	1.4
139.10139	1.4
145.90981	1.3
181.83476	1.5
181.85143	1.3
216.99426	1.4
279.23297	100.0
280.23560	10.1
312.39874	1.4
361.15408	3.8
361.23618	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	362.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.80780	15.8
71.01250	7.6
72.18317	3.4
96.95915	5.1
98.20525	5.6
100.24608	3.3
101.02332	6.4
102.51019	3.0
109.02849	4.0
125.02336	7.6
140.07080	59.8
160.79318	3.2
163.03851	5.1
210.31351	3.2
257.07645	3.1
260.26782	3.8
285.12558	8.9
296.64029	3.5
345.14447	5.5
362.08917	8.7
363.09363	3.3
363.16595	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	363.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11399	0.9
59.01254	99.5
60.01591	1.4
69.40143	2.0
69.40559	8.9
71.01254	2.8
77.92448	1.0
85.02834	1.3
89.02327	2.4
96.95837	1.5
101.02321	3.1
106.06502	2.3
108.04408	1.1
110.12933	1.1
120.04457	1.4
121.05226	3.1
122.06023	14.2
134.06032	13.1
135.06819	2.0
136.07579	9.4
137.04677	1.1
138.05513	1.6
149.04733	15.1
150.05548	8.1
152.07085	2.1
162.05516	9.6
164.03455	4.5
164.07079	9.3
166.04994	4.7
167.05780	4.1
184.86047	1.3
229.13402	1.6
241.09865	1.6
243.11424	3.6
255.11346	3.2
257.12982	8.6
273.28717	1.0
285.12457	100.0
286.12759	7.7
303.13574	4.0
345.14539	63.7
346.14835	5.7
363.16052	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01577	1.6
71.00836	0.8
71.01249	2.4
71.44313	1.6
73.02820	1.1
74.55103	1.0
75.00744	3.3
85.02840	1.1
101.02345	0.9
111.32552	1.0
158.03679	1.1
165.03970	8.0
174.86028	0.9
210.57437	0.9
210.95638	1.1
225.87193	0.9
289.93597	1.0
291.10822	1.1
303.14487	2.7
321.15530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60691	0.4
59.01250	26.3
74.49660	0.4
79.74647	0.4
81.39647	0.4
144.66626	0.5
224.34106	0.5
233.22548	0.7
277.21719	100.0
278.22083	9.0
286.03812	0.5
359.22031	13.2
360.22229	0.9
371.45621	0.5
374.57117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01601	1.3
61.29551	1.1
71.01261	1.5
71.06725	1.2
71.07050	1.7
85.02843	1.7
96.95881	1.4
105.06584	1.0
123.04392	1.3
125.02344	6.9
129.01807	1.0
137.02344	2.0
138.03169	1.9
143.07021	2.7
144.46490	1.1
151.03885	1.9
163.03911	1.1
163.07243	1.0
165.12793	3.3
183.13840	17.2
194.90935	1.1
209.11763	1.2
211.13503	1.0
213.14886	2.2
214.15450	1.1
227.12846	13.9
283.06226	2.1
289.19922	1.2
301.07190	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	361.1658
Annotation	Sauriol A
Peak:m/z	Relative Intensity
59.01254	3.0
59.35878	0.3
70.71991	0.8
71.01263	0.7
74.54110	0.3
83.01286	0.3
93.03333	3.9
95.01289	0.3
101.02338	0.3
106.60753	0.3
108.02065	1.0
109.02135	0.6
109.02845	9.0
110.03176	0.4
111.04378	0.4
119.04959	0.8
121.02847	33.3
122.03647	20.7
123.04459	3.8
124.01572	2.9
125.02335	0.3
129.03348	1.9
134.03629	1.3
135.04425	3.3
136.01570	0.9
136.05212	1.7
137.01378	0.5
137.02356	5.8
142.96812	0.3
146.03642	2.1
147.04430	12.7
148.05081	1.2
149.06010	2.5
150.03130	0.6
151.03809	0.4
153.01846	0.6
154.02628	4.5
159.04457	0.7
160.05295	0.9
161.05995	5.2
162.06721	1.0
163.03920	1.1
164.04716	0.9
165.05492	40.9
166.05821	2.2
168.04204	0.6
173.06029	0.5
175.07570	0.8
176.08246	0.3
177.05446	0.5
178.06346	0.8
179.07066	14.4
180.07404	1.0
191.07104	1.0
193.08734	0.4
208.07352	0.7
209.08046	2.0
209.11771	0.6
223.09657	1.6
248.17210	0.3
285.11267	0.7
289.89362	0.3
298.12100	1.2
301.10953	0.6
301.20187	1.0
313.14429	1.8
315.12418	4.4
316.12997	1.3
319.21185	0.6
331.11780	0.3
331.15488	0.4
343.15579	0.8
344.12952	0.3
345.13379	0.7
346.14227	13.8
347.14612	1.6
361.16565	100.0
362.16904	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	359.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	0.8
59.01244	2.3
70.02856	6.4
70.17303	2.8
70.17669	1.0
71.01253	2.5
71.02387	2.5
72.00780	2.8
72.99209	0.8
73.02829	1.0
75.00761	1.0
88.03928	1.0
89.02328	1.2
95.02406	6.2
97.53841	0.6
98.20541	0.7
104.38504	0.6
111.01900	2.6
113.03462	34.5
114.01865	27.6
115.02192	0.9
122.33170	0.5
131.04529	100.0
132.02948	3.2
132.04892	2.0
137.01042	0.5
153.01833	0.6
155.23468	0.6
198.17665	0.5
209.11859	1.7
224.46887	0.6
227.12871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29002	1.2
55.01762	2.3
57.03325	4.9
58.00477	1.9
59.01250	14.1
69.03330	2.7
69.33896	14.2
71.01245	5.5
71.04919	7.0
72.99183	5.3
73.02815	1.7
81.03333	58.4
82.03701	2.0
83.04899	3.3
84.02054	4.4
85.02821	8.3
87.00747	1.5
87.04393	7.4
95.04909	2.5
98.93891	1.2
99.04403	100.0
100.04743	2.1
101.02306	1.9
108.02096	1.4
109.06474	2.0
111.04401	5.6
113.02278	2.6
123.08079	1.6
125.09605	2.9
127.11180	3.1
137.02301	1.7
151.07532	5.2
153.01881	3.3
165.09253	1.5
169.08614	4.5
171.10190	53.2
171.11656	3.2
172.10472	3.2
195.13742	1.5
197.11757	6.6
201.11266	25.9
211.13344	7.7
213.11343	9.4
213.14793	6.4
223.13370	4.2
235.13403	4.1
241.14470	21.0
250.45210	1.3
251.12935	8.6
251.37241	1.3
253.14391	7.7
259.13428	2.6
271.15576	14.0
273.21033	1.3
277.14529	1.9
299.18552	2.6
305.17172	2.5
317.19739	5.2
341.19614	5.1
359.17307	2.5
359.20834	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	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22842	0.5
64.70703	0.5
70.13362	1.9
73.32113	0.4
97.64062	0.5
98.20588	0.5
99.08029	1.6
107.15742	0.4
109.06525	0.5
129.09142	0.7
141.12732	2.0
155.14304	0.9
173.67038	0.6
241.21663	0.9
269.21198	2.7
285.20685	1.6
287.22287	100.0
288.22629	8.8
315.21805	1.0
361.57501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
52.80849	2.4
52.91189	2.3
57.03328	4.0
59.01257	20.4
71.45975	2.1
71.58446	3.0
72.99190	8.6
75.00756	3.6
75.92204	2.3
88.42384	2.3
92.78292	2.3
93.07020	3.9
95.04905	3.1
103.76058	2.2
109.02892	3.6
116.07131	3.5
121.02857	13.8
122.03672	3.1
123.00726	5.1
124.01518	3.4
125.02389	2.6
137.02357	9.4
137.83696	2.2
139.42030	3.0
147.04553	3.4
149.02348	3.2
149.95166	2.4
150.03166	10.3
151.03931	3.3
153.01830	6.7
158.03668	6.9
159.04469	22.1
160.05212	51.4
161.06013	19.1
162.03206	3.6
163.03893	11.4
164.04704	10.0
171.10193	3.3
173.06049	8.0
175.03926	6.4
175.07588	39.6
176.04681	3.4
177.05524	13.1
178.06300	7.1
180.04149	5.1
190.06306	5.1
191.07120	2.8
193.08598	2.7
199.13332	8.3
203.64632	2.5
208.07393	3.3
209.11897	4.5
219.90599	2.3
229.18092	14.7
241.14449	7.4
297.18134	5.2
329.13959	100.0
330.14285	8.1
330.96396	3.0
359.11279	6.5
359.15121	23.3
359.20816	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51310	1.6
58.00465	2.7
59.01236	6.4
66.93485	1.4
69.33707	1.6
69.76240	6.9
69.76662	4.9
71.01243	2.8
73.51194	1.6
75.55061	1.6
84.44985	1.7
85.02831	3.2
87.00749	5.6
98.20502	1.7
104.50864	1.7
107.17216	1.4
109.06516	2.0
128.63971	1.7
147.02888	2.5
149.53062	1.6
165.12798	2.4
176.59239	1.5
179.14359	3.2
183.13797	3.5
195.13864	3.3
197.11758	1.7
197.15405	1.6
205.12265	2.9
211.13356	28.4
212.13565	2.8
213.14912	39.5
223.13365	9.0
233.11743	2.0
235.13329	4.4
241.14424	100.0
242.14731	7.2
243.16023	2.4
251.12859	28.4
253.14386	11.0
259.13336	13.2
269.13885	4.1
277.14517	14.1
278.14832	2.1
305.13922	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	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01252	4.7
71.01237	1.2
74.02325	1.3
82.81012	1.1
85.02822	1.4
95.05030	1.2
108.02061	24.1
109.02883	1.2
116.88619	1.1
121.02826	3.3
121.06487	1.3
122.03608	1.2
123.04412	33.4
131.04942	2.2
134.03592	2.3
145.02837	3.3
145.06525	1.7
146.03592	3.0
147.04436	3.8
147.83051	1.0
148.05212	9.4
149.02374	3.0
149.06006	7.6
150.03156	7.5
151.03831	1.1
158.03639	5.7
159.04430	16.7
160.05219	26.2
161.02406	4.9
161.05930	4.5
161.54073	1.1
162.03073	6.4
163.03874	3.0
163.07524	1.4
164.04745	1.7
165.05505	3.0
171.04279	1.1
173.05998	3.2
174.03133	6.9
175.03806	1.8
175.07616	6.6
176.04706	6.7
177.05498	84.7
178.06271	25.2
180.04263	1.3
187.03952	15.0
188.04735	16.4
189.05298	2.1
191.07079	34.8
192.04189	2.5
192.07825	11.9
193.05098	1.0
193.08623	1.8
201.05496	1.5
201.11130	1.1
203.07083	100.0
204.07434	5.0
206.05798	19.5
210.05305	9.5
219.06520	2.6
220.07356	4.1
221.08153	70.5
222.08507	4.2
224.06857	16.3
229.29865	1.4
233.08147	1.8
235.07611	1.4
238.10733	1.2
251.07121	1.5
263.07147	2.2
269.08405	1.7
279.06747	2.1
280.07419	3.1
281.08160	2.5
291.06668	4.2
296.10486	2.5
297.07675	2.0
298.08362	1.5
299.12729	2.2
306.09024	2.5
309.07733	5.5
311.12817	5.3
313.10782	4.8
324.09961	4.6
327.08780	1.7
327.12286	8.5
339.12363	32.1
340.12689	4.5
347.27866	1.2
357.09967	1.2
357.13446	25.4
357.18353	1.7
357.19348	1.4
358.13599	2.5
366.84854	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	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01254	100.0
59.05931	1.2
61.99811	1.5
62.38627	1.4
70.06686	1.4
70.76324	1.3
71.01265	10.1
73.02820	2.9
83.04903	1.7
85.02834	4.3
95.04936	1.9
98.19759	3.0
101.02328	4.0
101.09783	1.4
113.02333	3.1
121.02843	2.0
123.04438	1.5
126.95871	1.6
133.82553	1.6
134.67099	1.6
136.01582	1.9
147.49048	1.7
151.03909	3.3
171.10141	2.7
172.68756	1.5
179.69212	1.5
194.05704	1.5
194.50110	1.3
201.11198	1.7
209.11754	3.6
285.20770	5.8
315.18195	2.5
357.13898	1.6
357.19131	2.0
357.22684	13.4
357.26501	8.0
358.22946	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39108	0.4
57.03328	0.8
58.00481	0.9
58.25318	0.5
59.01255	7.7
59.58873	0.5
60.01603	0.9
63.91420	0.5
70.41180	1.9
71.01266	3.9
73.02802	0.7
73.18562	0.5
84.09509	0.5
85.02821	2.7
87.00756	1.1
93.03324	0.9
95.01249	0.5
101.02333	1.4
108.02082	1.2
108.08080	100.0
109.02859	0.5
109.08402	3.8
111.00704	0.6
111.15816	0.5
113.02319	2.9
115.89935	0.5
120.08093	3.7
121.02828	2.6
122.03120	0.5
122.03694	0.8
132.08104	1.7
134.06046	0.6
136.01567	24.3
137.01878	11.9
148.07574	1.6
151.03926	25.1
152.04309	15.3
152.07080	73.5
153.01912	0.6
153.07416	2.6
153.09114	2.0
154.09453	2.1
160.05093	0.7
161.04475	0.6
163.03868	0.7
164.04434	0.6
164.07027	1.1
166.08662	16.5
167.09026	0.7
176.07079	0.8
189.05458	0.8
194.08154	9.4
196.06096	44.0
197.06436	2.2
203.90427	0.5
209.11771	0.7
211.13388	3.7
212.78511	0.5
213.14899	3.1
223.13344	1.0
238.07198	6.4
241.14435	10.9
251.12834	3.3
253.14395	1.1
259.13394	1.1
269.13907	0.7
277.14447	1.5
298.09390	3.0
299.09259	0.8
312.13306	0.6
316.14795	1.9
317.19824	0.6
329.10004	0.6
329.13861	0.6
343.11356	2.1
344.12442	0.7
358.10663	1.5
358.14584	3.8
359.14917	1.0
363.66400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	Saururin A
Peak:m/z	Relative Intensity
54.30691	0.5
55.01759	4.9
59.01244	3.6
71.01237	1.1
71.58621	0.7
83.01260	100.0
84.01601	1.4
84.02055	0.9
85.02829	0.6
93.03329	1.6
108.39472	0.6
109.02888	1.2
121.02851	16.6
122.03637	24.7
123.04430	7.9
124.01570	1.3
129.03326	0.5
135.04486	1.2
136.01553	1.7
136.05197	5.6
137.02341	2.1
137.05988	16.9
137.06888	0.6
146.03618	0.8
147.04445	9.2
151.03841	0.8
152.91997	0.5
154.02609	1.5
155.39586	0.6
159.04376	0.8
161.05957	4.1
162.06767	2.5
168.04170	1.3
171.10175	1.1
191.23462	0.5
193.12280	0.9
204.84903	0.6
205.04916	0.7
209.08234	4.6
209.11716	0.9
209.30479	0.6
221.08151	10.7
222.08554	0.7
225.15022	1.0
229.70247	0.6
243.15955	1.2
285.20651	0.7
298.11978	1.2
313.14478	3.4
342.11053	8.6
343.11496	1.0
357.13440	86.3
357.22766	7.8
357.26550	2.3
358.13855	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01715	0.2
58.02849	0.5
59.01248	1.3
68.99693	0.3
69.03336	0.6
70.02859	0.3
71.01271	0.3
71.58808	0.2
84.02007	0.3
85.02837	0.5
93.03337	2.5
94.20342	0.2
95.01247	0.3
96.95884	0.2
97.02825	0.2
98.08530	0.2
101.02249	0.3
106.06503	0.4
108.02068	2.1
109.02839	1.2
119.04932	0.3
121.02851	8.8
122.03665	2.8
123.00764	0.5
123.04434	0.5
124.01534	0.7
131.71574	0.2
133.02893	0.3
134.03676	1.0
135.04465	0.6
136.01564	79.8
137.02412	3.3
138.03114	0.3
145.06528	0.2
147.04422	0.4
149.02361	0.4
149.05998	0.5
151.03918	100.0
152.03113	0.4
152.04257	3.6
153.01788	0.3
154.02646	0.5
159.04436	0.8
160.05194	3.1
161.02376	1.7
161.05986	0.7
162.03139	0.9
163.03941	1.5
173.05936	0.3
175.03952	1.1
175.07614	1.3
176.04683	1.1
177.05516	1.3
179.03366	0.4
187.03951	0.6
188.04688	0.4
189.05489	0.8
189.54305	0.2
190.06137	0.3
191.07021	0.2
193.04999	0.3
203.07022	0.5
204.04237	0.5
210.14944	1.3
219.06575	0.9
220.17010	0.8
221.08066	0.2
238.06168	0.3
238.18040	1.4
239.07224	0.6
241.05031	0.3
252.19739	0.5
253.08701	0.8
254.09389	0.3
264.15955	0.3
269.11957	0.2
270.20834	1.0
281.18744	2.4
296.10641	0.2
297.07635	0.2
298.08551	1.0
311.12866	0.8
313.10886	2.0
313.21429	0.7
342.11090	4.8
343.11572	0.3
357.09854	1.3
357.13513	12.7
358.13727	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76229	0.1
59.01252	2.1
67.01767	0.1
69.03335	0.5
70.97839	0.4
71.01252	0.8
73.02844	0.3
83.01272	0.1
84.02059	0.3
85.02800	0.8
93.03346	1.9
95.01280	0.5
97.02847	0.1
99.00737	0.1
101.02334	0.5
106.64471	0.1
108.02060	2.0
108.07335	0.3
108.08073	6.7
109.02834	0.7
111.00788	0.2
113.02351	0.4
117.15860	0.1
119.04848	0.2
120.05695	0.2
120.08072	0.1
121.02840	9.5
122.03642	3.1
123.00775	0.6
123.04401	0.4
124.01558	0.8
134.03601	0.9
135.04393	0.5
136.01561	84.9
137.02408	3.0
138.03085	0.1
145.06540	0.2
147.04399	0.3
149.02356	0.2
149.05975	0.6
151.03914	100.0
152.04268	4.6
152.07080	5.4
152.08340	0.1
153.09105	1.2
154.02644	0.5
159.04356	0.9
160.05217	1.3
161.02345	0.5
161.05957	0.3
162.03130	1.5
163.03941	1.4
164.04765	0.2
166.08627	0.9
173.06015	0.2
175.03893	1.0
175.07545	1.3
176.04692	0.5
177.05481	1.0
179.03430	0.6
187.03943	0.5
188.04701	0.3
189.05542	0.7
190.06215	0.4
194.08043	0.7
195.06590	0.2
196.06068	2.9
203.07048	0.5
221.08147	0.2
238.07185	0.4
241.05057	0.4
256.07538	0.2
267.06708	0.3
283.09875	0.2
296.10437	0.2
297.13699	0.2
298.09360	0.3
311.12787	0.7
312.06461	0.2
315.14505	0.7
324.09348	0.2
327.08698	0.7
327.12253	0.3
342.11075	5.5
343.11267	0.6
357.13406	14.9
358.13980	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	357.1346
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.01715	0.2
58.02849	0.5
59.01248	1.3
68.99693	0.3
69.03336	0.6
70.02859	0.3
71.01271	0.3
71.58808	0.2
84.02007	0.3
85.02837	0.5
93.03337	2.5
94.20342	0.2
95.01247	0.3
96.95884	0.2
97.02825	0.2
98.08530	0.2
101.02249	0.3
106.06503	0.4
108.02068	2.1
109.02839	1.2
119.04932	0.3
121.02851	8.8
122.03665	2.8
123.00764	0.5
123.04434	0.5
124.01534	0.7
131.71574	0.2
133.02893	0.3
134.03676	1.0
135.04465	0.6
136.01564	79.8
137.02412	3.3
138.03114	0.3
145.06528	0.2
147.04422	0.4
149.02361	0.4
149.05998	0.5
151.03918	100.0
152.03113	0.4
152.04257	3.6
153.01788	0.3
154.02646	0.5
159.04436	0.8
160.05194	3.1
161.02376	1.7
161.05986	0.7
162.03139	0.9
163.03941	1.5
173.05936	0.3
175.03952	1.1
175.07614	1.3
176.04683	1.1
177.05516	1.3
179.03366	0.4
187.03951	0.6
188.04688	0.4
189.05489	0.8
189.54305	0.2
190.06137	0.3
191.07021	0.2
193.04999	0.3
203.07022	0.5
204.04237	0.5
210.14944	1.3
219.06575	0.9
220.17010	0.8
221.08066	0.2
238.06168	0.3
238.18040	1.4
239.07224	0.6
241.05031	0.3
252.19739	0.5
253.08701	0.8
254.09389	0.3
264.15955	0.3
269.11957	0.2
270.20834	1.0
281.18744	2.4
296.10641	0.2
297.07635	0.2
298.08551	1.0
311.12866	0.8
313.10886	2.0
313.21429	0.7
342.11090	4.8
343.11572	0.3
357.09854	1.3
357.13513	12.7
358.13727	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23220	0.2
55.45665	0.2
57.03326	0.2
59.01258	1.0
61.91506	0.2
69.03320	0.4
69.53385	1.0
69.53793	0.4
71.01231	0.4
84.02048	0.4
85.02835	0.5
89.67383	0.2
92.02578	0.2
93.03336	2.0
95.01263	0.4
97.02844	0.2
98.19827	0.4
99.84180	0.2
101.02314	0.4
107.04903	0.3
108.02045	1.9
108.08070	2.1
109.02833	0.8
112.62511	0.2
114.56163	0.2
121.02847	9.4
122.03651	3.3
123.00768	0.3
123.04419	0.4
124.01595	0.9
134.03633	1.2
135.04414	0.5
136.01564	83.5
137.02226	3.2
145.06526	0.2
147.04393	0.2
149.06017	0.5
151.03918	100.0
152.04256	4.2
152.07072	1.9
153.09175	0.3
154.02612	0.6
159.04439	0.7
160.05196	1.4
161.02368	0.5
161.05960	0.3
162.03145	1.3
163.03931	1.7
164.04640	0.2
166.08597	0.5
175.03929	0.8
175.07555	1.4
176.04684	0.4
177.05527	1.2
179.03395	0.4
187.03900	0.7
188.04593	0.3
189.05537	0.7
190.06279	0.4
193.05135	0.2
196.06111	1.2
203.07112	0.3
241.05023	0.2
242.05396	0.2
255.06749	0.2
256.07379	0.4
267.06619	0.3
274.83640	0.2
283.09781	0.3
311.12845	0.7
312.06250	0.3
315.14612	0.3
327.08710	0.7
333.01697	0.2
342.11093	5.0
343.11462	0.4
357.13443	13.2
358.13937	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.03051	1.2
63.14611	1.2
71.01273	6.4
71.58014	2.1
81.03265	1.4
84.92121	1.3
85.02821	1.9
89.02330	4.5
93.03348	18.8
97.99664	1.2
101.02316	3.2
113.02339	1.8
119.03351	1.9
125.02303	1.5
138.56944	1.2
153.01825	1.4
153.05504	4.5
154.01320	3.6
167.04753	1.5
172.87718	1.5
196.26822	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01254	36.7
62.76659	2.1
71.01254	21.2
71.10897	6.1
72.99178	2.8
75.00751	3.8
85.02819	6.9
89.02312	20.8
101.02317	12.4
109.27302	2.0
112.18590	2.3
113.02323	8.5
119.03378	5.2
121.02806	2.1
130.08638	5.4
134.03648	2.1
135.59047	2.5
136.05214	2.4
151.03894	10.4
153.01881	2.1
162.03139	70.8
163.03630	5.0
165.01855	2.7
177.01897	4.8
177.05489	100.0
178.05862	3.3
195.06635	18.2
265.37537	2.3
357.21353	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	357.1343
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
57.76229	0.1
59.01252	2.1
67.01767	0.1
69.03335	0.5
70.97839	0.4
71.01252	0.8
73.02844	0.3
83.01272	0.1
84.02059	0.3
85.02800	0.8
93.03346	1.9
95.01280	0.5
97.02847	0.1
99.00737	0.1
101.02334	0.5
106.64471	0.1
108.02060	2.0
108.07335	0.3
108.08073	6.7
109.02834	0.7
111.00788	0.2
113.02351	0.4
117.15860	0.1
119.04848	0.2
120.05695	0.2
120.08072	0.1
121.02840	9.5
122.03642	3.1
123.00775	0.6
123.04401	0.4
124.01558	0.8
134.03601	0.9
135.04393	0.5
136.01561	84.9
137.02408	3.0
138.03085	0.1
145.06540	0.2
147.04399	0.3
149.02356	0.2
149.05975	0.6
151.03914	100.0
152.04268	4.6
152.07080	5.4
152.08340	0.1
153.09105	1.2
154.02644	0.5
159.04356	0.9
160.05217	1.3
161.02345	0.5
161.05957	0.3
162.03130	1.5
163.03941	1.4
164.04765	0.2
166.08627	0.9
173.06015	0.2
175.03893	1.0
175.07545	1.3
176.04692	0.5
177.05481	1.0
179.03430	0.6
187.03943	0.5
188.04701	0.3
189.05542	0.7
190.06215	0.4
194.08043	0.7
195.06590	0.2
196.06068	2.9
203.07048	0.5
221.08147	0.2
238.07185	0.4
241.05057	0.4
256.07538	0.2
267.06708	0.3
283.09875	0.2
296.10437	0.2
297.13699	0.2
298.09360	0.3
311.12787	0.7
312.06461	0.2
315.14505	0.7
324.09348	0.2
327.08698	0.7
327.12253	0.3
342.11075	5.5
343.11267	0.6
357.13406	14.9
358.13980	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	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01256	2.7
61.70973	0.4
65.99705	0.4
66.73243	0.6
69.57293	3.9
71.01250	2.0
78.95765	0.6
85.02831	1.4
86.14206	0.4
98.20570	0.8
103.52016	0.5
106.06509	100.0
107.06874	3.1
108.08067	5.5
109.30561	0.4
113.02317	1.8
118.06540	0.6
120.08070	1.0
128.03436	0.6
131.03674	1.5
136.07596	0.7
146.06042	0.7
150.05518	49.1
151.05841	1.8
161.82088	0.5
164.07092	8.5
165.07443	0.7
174.05530	0.8
192.06622	5.7
194.04546	22.9
195.04794	1.4
234.49060	0.5
236.05615	2.9
272.21487	0.6
288.88602	0.5
296.07785	2.4
297.07742	0.5
327.08780	1.1
327.12283	1.1
340.24448	0.5
342.11108	1.3
356.09866	3.8
357.13464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	2,5,7-Trihydroxy-6,8-dimethyl-3-(3',4'-methylenedioxybenzyl)-chroman-4-one
Peak:m/z	Relative Intensity
59.01257	6.5
67.09728	0.5
68.56728	0.5
69.03331	0.8
69.68770	1.9
69.69204	2.4
71.01248	1.2
81.03295	0.5
83.01237	0.6
85.02835	0.9
93.03333	3.6
95.01250	0.6
100.57043	0.7
101.02342	1.1
107.51949	0.6
108.02058	23.1
108.22017	0.6
109.02848	2.0
110.24396	0.6
113.02329	1.2
119.04919	2.4
121.02850	13.0
122.03654	3.9
123.00774	1.3
123.04428	2.5
124.01565	1.3
132.05704	12.1
133.06503	5.8
134.03635	1.7
135.04390	1.5
136.01561	85.6
137.02394	5.4
137.05881	0.7
143.04956	0.7
145.06497	11.6
147.04459	0.6
149.02356	5.1
151.03917	100.0
152.04245	3.0
153.09103	2.3
154.02605	1.7
158.03564	0.7
159.04390	1.4
160.05127	3.4
162.03128	2.4
163.03952	4.0
164.04700	7.9
165.05312	0.6
175.03946	1.6
175.07565	1.9
176.04774	2.9
177.05507	2.3
179.03436	1.0
180.32423	0.7
182.72289	0.6
187.03949	0.9
189.05516	8.1
203.07022	0.8
208.03706	1.3
219.06569	0.8
239.07104	11.6
240.07385	0.6
252.07910	1.8
253.08711	1.7
254.09436	1.6
269.11816	34.0
270.12097	3.0
283.06210	1.6
295.09692	1.4
297.07974	0.8
298.08508	2.2
311.12695	1.3
313.10825	23.6
314.11133	2.5
327.08777	0.8
339.08759	1.7
342.11050	13.6
342.14948	1.2
343.11365	1.1
357.09714	12.9
357.13522	29.1
358.09958	1.3
358.13898	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	355.1037
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.01765	0.6
57.03326	1.3
58.00467	0.5
59.01254	9.7
60.01594	0.6
68.79948	0.4
68.99661	0.5
71.01254	6.9
72.82414	0.5
72.99191	0.7
73.02816	0.6
75.00768	0.6
77.20665	0.5
79.95613	0.8
84.40669	0.4
85.02832	6.6
87.00748	0.4
89.02312	3.6
95.01276	0.6
96.95892	1.1
101.02335	2.5
112.20450	0.4
113.02323	2.4
119.03425	1.1
119.04926	0.7
122.44933	0.4
125.02312	0.5
129.01807	0.6
132.02074	18.1
133.02606	0.5
134.03650	10.6
147.03026	0.6
147.04352	1.0
149.05972	2.4
151.03915	2.5
160.01579	80.9
161.01910	2.5
174.03218	1.0
175.03935	100.0
176.04324	5.9
179.05644	0.5
189.05524	0.5
191.01974	1.0
191.07086	2.1
193.05002	13.4
194.05382	0.5
198.04405	0.4
202.02713	1.1
207.06534	0.4
209.02931	2.0
217.05022	4.5
229.36597	0.4
234.15729	0.4
235.06052	2.8
265.07245	1.0
295.08234	2.0
306.20895	0.4
355.10349	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.72131	1.1
50.91331	0.7
59.01239	1.7
66.42724	1.0
85.02815	3.8
95.54745	1.1
98.19750	2.2
101.05939	1.1
107.04893	1.2
109.02843	1.9
111.00766	1.3
122.03623	12.3
127.07517	2.3
135.04414	25.8
136.01543	2.5
136.04718	1.1
147.08057	2.4
149.05974	1.9
149.09666	8.2
151.07555	2.3
154.02603	3.2
161.09628	9.8
163.07561	4.8
163.11201	57.5
164.08342	18.8
164.11519	4.2
165.09126	13.9
177.09128	73.1
178.09892	24.0
179.10703	78.2
180.11075	5.3
183.10159	2.3
191.10712	14.9
193.08636	9.7
198.31909	0.9
235.23831	1.0
265.12418	1.6
279.13785	1.5
280.14716	3.2
281.15570	1.1
298.15732	58.3
299.16077	7.9
307.17004	1.5
309.22284	1.3
321.18744	1.0
322.19302	1.7
337.21719	47.9
338.21985	5.1
340.20419	87.0
341.20779	9.3
350.00879	1.0
355.22778	100.0
356.23041	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	355.1037
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.31305	0.4
57.03307	0.6
58.00453	0.4
59.01252	9.9
60.46334	0.4
64.71454	0.5
71.01258	5.3
71.43917	0.5
71.44228	0.5
79.95622	0.9
85.02851	2.3
89.02312	3.6
96.95898	3.6
101.02335	2.0
113.02351	2.0
119.03402	0.9
132.02080	16.5
133.02408	0.6
134.03630	9.4
140.70219	0.5
149.06000	1.9
160.01573	67.8
161.01868	2.5
174.03151	1.0
175.03928	100.0
176.04234	5.4
190.27763	0.4
191.07031	1.4
193.04994	13.9
194.05379	0.5
202.02658	1.1
206.01956	0.6
207.06491	0.6
217.05014	4.4
235.06055	2.7
265.07370	0.6
295.08142	1.9
355.10449	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	355.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
59.01257	12.8
59.30891	0.9
60.50124	1.0
60.96502	0.9
69.41818	9.4
71.01254	7.2
72.99165	1.2
73.02823	1.5
79.95612	20.3
85.02824	16.1
87.30692	1.0
89.02332	3.2
96.95893	100.0
98.20512	1.7
101.02276	2.3
113.02341	2.2
119.03384	2.1
121.06503	1.1
123.04395	1.4
129.01837	2.2
132.02071	11.4
132.08240	1.1
134.03638	6.9
141.95702	5.2
147.02931	1.1
149.05977	2.3
151.03903	2.5
152.98535	11.1
158.73584	1.2
160.01572	51.0
161.01929	2.0
174.03159	1.1
175.03928	72.1
176.04381	3.2
177.09106	2.1
179.07062	2.5
191.01952	2.3
193.04979	11.1
194.05461	1.1
202.02676	1.5
209.02917	5.7
217.05017	4.1
235.06137	2.8
239.09215	1.9
309.98398	1.0
342.64111	1.2
355.06778	3.1
355.10367	3.1
355.14160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	9.9
59.01239	28.1
61.72527	6.3
71.01256	52.0
72.99185	59.0
73.02820	43.6
75.00752	8.7
78.95786	7.2
80.96377	7.4
85.02827	76.3
87.00743	15.9
89.02328	7.5
95.01299	13.8
96.95899	13.6
99.00761	17.2
101.02306	26.8
110.89822	7.4
113.02335	100.0
115.00273	10.3
129.01805	21.8
131.03391	27.2
131.04381	11.3
132.02921	8.5
157.01352	11.4
175.02396	47.4
175.31219	7.3
181.12807	7.4
195.05055	10.0
244.86385	6.3
265.05786	11.1
277.12320	5.7
286.07809	6.4
344.80673	7.3
355.08856	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	355.1036
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01257	3.5
60.65469	0.8
66.71726	0.6
70.44298	2.6
71.01261	1.4
72.70867	0.6
82.72420	0.7
85.02824	2.7
87.40447	0.6
89.02331	1.1
96.95889	2.2
105.23374	0.7
108.98423	0.7
115.57293	0.6
121.02820	1.1
122.49211	0.6
132.02078	6.3
133.02815	2.1
134.03633	64.9
135.03999	2.0
137.02344	7.7
139.03912	2.4
143.71513	0.7
149.04836	1.2
149.05991	14.8
149.07170	0.7
150.03172	1.3
150.44643	0.7
157.41571	0.9
160.01578	25.3
175.03929	30.9
176.04291	1.5
178.02637	28.2
179.03056	1.1
191.01877	1.1
193.04997	100.0
194.05318	4.3
217.05008	1.6
235.06088	0.7
248.00862	0.6
330.64523	0.7
355.10071	1.0
364.77405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.7
56.15065	2.5
57.03327	16.0
59.01248	7.7
70.70447	5.0
71.01246	7.7
72.99168	2.4
75.00774	3.2
83.01287	3.1
84.60719	2.3
85.02824	100.0
85.31496	2.3
94.33961	2.3
111.00755	4.9
119.04906	2.4
126.78667	2.4
129.01860	7.8
140.43146	3.4
147.02890	12.5
163.03838	3.3
191.01933	30.0
209.02980	45.7
266.87653	2.4
267.09552	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03085	1.4
57.03329	17.6
58.60809	1.1
59.01251	10.5
68.31748	1.2
69.70982	2.6
69.71391	4.8
71.01254	9.1
72.99170	3.5
75.00739	3.0
76.06306	1.1
78.65961	1.0
80.91898	1.0
83.01260	4.0
84.02048	3.0
85.02826	100.0
86.03175	2.1
87.00720	1.3
89.02305	1.7
92.15127	1.1
93.56692	1.0
95.90996	1.1
101.02282	1.9
103.00217	1.7
108.04443	12.2
111.00764	5.0
115.84844	1.1
119.04890	3.4
129.01801	6.8
133.01283	3.1
134.03619	5.0
147.02898	9.1
150.05530	10.1
163.03870	3.1
173.00797	2.0
178.02657	2.7
191.01897	29.8
191.90167	1.1
192.02223	1.5
193.04944	6.9
199.95517	1.0
209.02977	56.3
275.27753	1.1
338.67404	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41030	0.5
57.03320	1.4
58.02846	0.6
59.01248	4.0
70.06709	2.7
71.01260	2.1
72.77584	0.5
74.02349	0.7
75.00756	0.6
75.53501	0.6
78.95763	0.5
81.03337	0.7
83.04896	1.5
85.02826	6.1
87.00761	0.7
91.69026	0.6
98.20467	0.7
105.01814	5.7
113.02322	0.7
114.01865	3.2
128.10713	1.7
129.01743	0.8
130.08633	100.0
131.09004	2.7
145.06039	0.6
147.02953	0.9
150.56737	0.5
151.11205	0.9
179.10643	0.9
191.02010	0.9
207.10210	1.3
208.65256	0.6
209.02911	1.5
210.18312	0.6
223.13495	0.7
248.20145	1.5
249.20625	0.7
274.18002	0.8
283.12015	0.6
292.19147	4.6
293.19687	0.7
294.13541	0.8
295.10806	1.1
310.20236	20.6
311.20673	1.6
324.06235	0.6
325.13016	0.7
336.18094	4.0
337.12897	1.7
339.08649	0.6
340.09161	0.7
354.15555	2.7
354.19241	31.0
355.13831	1.7
355.19342	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.0
57.03328	15.5
59.01252	8.5
68.99665	0.7
70.74549	1.5
71.01260	4.7
72.99174	2.1
73.02818	1.2
75.00751	2.3
83.01279	2.7
84.02037	2.1
85.02827	100.0
86.03162	1.5
87.00734	1.0
89.02313	1.1
95.41545	0.6
101.02338	0.8
103.00236	1.3
111.00754	2.7
115.00234	0.9
119.04920	4.0
129.01822	6.8
133.01306	1.1
147.02902	10.5
148.03177	0.5
156.02042	0.5
162.48868	0.5
163.03908	2.4
173.00780	1.0
191.01901	21.2
192.02264	0.8
197.01810	0.5
209.02988	18.7
210.03191	0.7
325.54324	0.5
355.06662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42289	0.6
59.01245	1.8
68.81008	0.6
69.53083	3.8
69.53485	0.8
79.95613	10.7
80.40374	0.6
80.96410	0.7
86.01729	0.6
95.95116	5.8
96.95892	100.0
98.19802	1.1
152.00148	4.5
183.01057	0.9
191.05586	0.8
308.19022	3.4
352.21622	99.3
353.17908	1.3
353.21866	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	353.2122
Annotation	Guayulin B
Peak:m/z	Relative Intensity
63.29330	0.3
65.24316	0.3
90.67685	0.3
96.95918	0.4
98.19788	0.7
102.45492	0.3
137.07555	0.3
159.83633	0.3
159.85176	0.3
162.14819	0.3
163.11198	100.0
164.11542	5.3
177.09128	71.8
178.09471	4.3
222.08931	0.8
229.20108	0.4
353.21207	98.5
354.21558	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	354.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.8
57.03331	2.6
58.00463	5.5
58.02853	19.6
59.01254	100.0
70.98205	4.4
71.01258	89.5
71.04897	1.7
72.01564	1.8
72.62285	1.4
72.99188	8.1
73.02779	2.2
79.68038	1.4
83.01285	3.4
84.15268	1.4
85.02826	20.4
87.00733	4.7
89.02320	83.7
95.01266	4.7
101.02328	30.9
105.76762	1.4
113.02349	23.8
119.03394	22.9
126.05514	7.8
126.09163	1.9
129.01855	1.5
131.03345	2.0
143.03427	3.4
144.10164	7.1
146.08148	44.5
146.09312	2.5
149.04431	1.8
151.03905	3.6
161.04494	2.5
170.08116	6.1
179.05550	4.3
191.01917	2.6
209.02977	4.5
210.29373	1.4
215.84431	1.7
218.42273	1.4
275.96255	1.6
354.19247	33.8
355.19516	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	351.1706
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
54.76942	2.2
59.01242	9.0
61.83955	2.7
66.55632	2.3
71.57263	4.2
76.52236	2.2
121.10132	7.0
171.10179	19.5
229.04765	3.1
275.20224	22.0
293.21344	15.4
351.17114	100.0
352.17233	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	351.2539
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
54.50668	0.7
59.01254	2.5
60.79098	0.7
71.12776	0.9
71.13116	2.0
79.75326	0.7
89.19848	0.8
100.95071	0.9
121.48154	0.8
123.04365	1.3
137.06023	1.1
143.78044	0.8
165.09158	2.6
245.19127	1.8
289.25394	1.0
327.57428	0.9
333.24341	100.0
334.24634	12.0
351.25385	15.2
352.25671	1.1
368.23154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1767
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
56.75855	0.2
58.02850	3.2
58.53944	0.2
59.01250	1.2
65.71544	0.2
69.03316	0.3
71.32697	0.2
71.58587	0.4
81.03331	1.5
83.04930	0.3
85.02833	0.6
95.04900	1.9
97.06464	0.4
99.99156	0.2
109.06496	1.0
110.09649	0.8
111.53139	0.2
123.04403	0.8
128.10710	9.4
129.11052	0.3
130.08638	100.0
131.09000	2.5
133.06496	0.2
135.08063	1.7
152.07074	0.3
154.08653	2.3
156.06590	0.5
172.09731	3.6
177.09160	1.4
179.07048	0.7
181.08615	1.2
192.13908	0.3
221.08124	0.5
236.12981	0.2
246.18620	1.4
248.13054	0.2
254.14018	0.7
267.36102	0.2
290.17584	3.6
291.17883	0.4
308.18683	14.2
309.18921	1.2
334.16577	5.0
335.16849	0.3
352.17648	29.2
353.18091	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
62.95754	0.9
70.97707	2.4
70.98074	2.3
109.57944	1.1
125.72530	1.1
132.85498	1.3
152.42619	1.2
174.27373	1.2
213.93742	1.2
243.22734	1.1
306.98297	1.1
366.99451	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34948	2.0
59.01252	100.0
69.70247	13.1
71.01260	20.6
72.99194	3.0
73.02825	5.8
74.52238	2.1
75.00762	4.4
83.01264	2.7
85.02831	10.5
87.00730	2.6
89.02314	9.2
89.50575	2.0
95.01289	2.5
96.95894	4.3
99.00765	3.4
101.02347	11.7
113.02334	10.7
119.03388	2.7
138.88327	1.9
161.04494	4.5
166.99695	2.4
175.88704	2.0
189.14748	1.9
194.99301	4.7
231.63618	1.8
351.11612	2.2
351.20178	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01604	1.0
71.01254	3.5
71.11781	1.1
73.02856	0.6
79.45292	0.5
85.02840	1.3
87.00776	1.3
89.02316	2.9
96.95878	2.8
98.96689	0.6
101.02320	2.5
111.04410	0.7
113.02351	1.3
119.03384	1.2
126.46174	0.6
127.63409	0.5
129.65294	0.5
142.02905	0.5
165.21001	0.7
182.00526	0.5
189.14928	0.7
351.11029	0.6
351.15155	1.6
351.20651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.80729	0.5
55.01752	0.8
57.03306	0.7
57.72229	0.5
58.00454	2.3
59.01253	40.2
60.01588	0.6
66.08944	0.7
69.53739	0.6
71.01257	21.3
71.59058	0.8
72.99180	4.1
73.02826	1.2
75.00732	1.2
75.15688	0.6
83.01253	2.4
85.02837	6.1
86.52235	0.5
87.00753	2.0
89.02322	17.5
95.01254	2.0
99.00755	1.1
101.02333	14.2
113.02338	7.7
119.03394	5.9
119.04876	1.4
135.00764	0.8
139.11215	1.4
141.12761	33.3
142.13091	1.7
143.03459	0.7
145.02832	2.5
163.03908	2.4
169.12271	6.3
171.13849	1.5
183.13795	2.4
185.11778	1.1
187.13329	66.9
188.13586	2.9
226.02315	0.6
229.14442	2.2
269.08188	2.6
277.28979	0.6
349.18674	100.0
350.19055	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01584	1.3
60.19705	1.0
68.99704	1.1
71.01256	6.1
71.07086	2.6
85.02824	1.5
89.02316	2.8
96.95898	1.0
99.00713	0.9
101.02344	2.1
113.02375	1.0
119.03380	1.5
145.02853	1.4
147.15433	1.0
178.36794	1.0
193.08612	1.1
319.11945	1.0
349.12912	6.1
349.19873	1.6
350.16336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94698	0.8
55.01766	1.0
57.03315	2.1
58.33220	0.7
59.01248	12.7
59.93185	0.7
60.04857	0.7
68.99695	1.3
70.72033	0.8
71.01249	10.9
71.37321	1.1
72.26983	0.7
72.99181	4.0
75.00745	12.1
83.01228	1.3
85.02819	15.5
87.00748	5.4
89.02322	3.4
92.04972	1.0
95.01291	2.7
99.00758	7.1
101.02338	1.1
101.05959	100.0
102.06316	2.8
113.02328	15.0
114.02621	0.8
115.00282	1.4
117.01824	2.4
122.05970	1.1
129.01836	1.2
175.02313	1.6
198.31284	0.9
231.05121	1.0
249.06114	10.2
333.11649	1.8
351.12952	30.8
352.13205	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
59.01254	100.0
62.38730	1.8
69.03317	3.6
70.22221	7.3
71.01247	15.4
74.97813	1.5
75.00758	3.7
83.01237	1.9
84.37078	1.9
85.02812	6.5
87.00733	2.8
89.02332	8.5
96.95885	2.0
99.00733	3.4
101.02316	7.7
113.02337	6.0
119.03377	3.9
123.04372	2.0
125.02322	5.4
136.01552	5.9
145.29999	1.9
151.03914	3.9
162.03082	2.2
170.35191	2.0
173.04509	2.4
186.06821	3.3
211.13248	1.8
245.12126	3.9
263.13217	5.5
267.07117	2.2
305.10272	12.9
306.10669	2.9
327.26572	1.8
349.09436	6.0
350.16446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.48197	0.6
55.01749	1.3
57.03321	1.9
58.00478	0.9
59.01256	37.4
71.01259	26.1
71.35638	1.5
72.99175	2.5
73.02820	4.9
83.01263	4.1
85.02837	9.3
87.00779	1.3
89.02319	11.6
95.01242	1.6
95.29652	0.6
96.95883	1.7
99.00769	2.4
101.02327	15.5
113.02327	7.9
119.03383	4.4
129.10158	0.6
131.03404	0.7
132.62474	0.7
147.04456	0.8
161.04498	1.5
164.07150	0.8
167.10692	5.5
185.11766	7.3
200.13879	1.1
288.99231	0.7
299.66330	0.7
305.16135	1.0
329.16217	2.1
347.17117	100.0
348.17337	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	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.50096	1.0
57.03319	1.5
58.00464	1.6
59.01257	49.7
69.03349	1.5
71.01260	29.2
71.06320	2.7
72.99172	7.5
73.02814	1.4
75.94154	1.2
83.01237	1.6
85.02827	6.2
87.00755	1.9
88.26878	1.1
89.02321	24.6
95.01279	2.8
96.95879	1.8
99.08031	2.0
101.02332	24.3
113.02335	12.1
119.03406	12.9
139.11208	6.1
143.03448	1.4
149.04459	1.3
167.10699	100.0
168.11032	4.1
179.05487	1.3
185.11766	25.4
263.56000	1.1
347.17123	70.7
348.17490	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	349.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
59.01253	9.3
66.04893	0.4
67.01766	0.9
68.99705	0.8
69.03321	1.5
69.35523	4.0
71.01254	4.8
72.99181	1.0
73.02813	1.3
75.00731	1.3
77.03842	1.6
79.01768	1.5
83.01256	2.2
85.02811	1.9
87.00764	1.1
87.11681	0.4
89.02309	2.0
93.03343	2.7
95.01265	3.3
95.94110	0.4
96.95861	0.8
97.02827	11.8
99.00742	1.2
99.04385	1.4
101.02312	1.9
103.61381	0.5
109.02841	1.8
113.02307	2.6
119.03397	0.9
121.02844	10.3
123.00772	12.1
125.02353	0.5
137.02345	37.1
137.09579	0.8
138.02704	0.5
139.00275	1.5
139.03911	0.5
141.01843	2.0
151.00269	11.1
155.10690	0.7
161.04507	0.7
163.00272	0.6
164.01123	0.7
165.01846	100.0
166.02193	3.6
183.02916	1.1
197.04488	52.4
198.04811	1.9
199.09721	0.5
206.24350	0.4
209.00883	1.7
224.07954	1.7
249.06197	0.5
274.83215	0.4
317.02982	4.4
349.05658	10.0
349.10141	0.7
349.15039	0.6
349.18811	0.9
349.61807	0.6
350.05966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
56.48703	0.5
57.03319	1.6
59.01252	100.0
60.01590	1.1
70.12932	0.6
71.01251	13.4
71.57491	0.5
73.02823	4.6
77.75653	0.5
83.01276	2.0
85.02825	5.8
85.06506	1.1
87.00771	0.7
87.79380	0.5
89.02343	1.6
95.01274	1.3
96.95924	1.3
99.00778	1.9
101.02332	6.9
104.17673	0.6
113.02332	5.4
123.97835	0.5
125.02316	0.8
141.01880	1.1
143.10696	3.3
152.74149	0.7
159.02959	0.6
161.04477	4.4
165.99086	0.9
184.00027	0.6
185.00816	0.5
251.85942	0.5
305.16150	3.1
347.06357	1.6
347.17111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
57.03327	1.5
57.17039	0.4
59.01252	100.0
60.01580	1.0
63.36168	0.4
70.56297	1.5
71.01254	8.4
71.04900	0.7
72.99204	0.5
73.02815	2.9
75.00750	0.7
83.01272	1.5
85.02827	4.3
89.02280	1.1
95.01328	0.6
99.00762	1.2
99.98473	0.6
101.02332	4.7
101.84980	0.5
113.02344	3.8
129.01820	0.4
141.01872	1.1
143.10699	1.9
159.02872	0.7
161.04482	3.3
165.99019	0.6
199.09744	0.6
248.41168	0.5
279.09595	0.5
286.16745	0.5
302.34525	0.5
305.15933	3.3
315.06348	0.9
346.80478	0.6
347.06436	1.6
347.12656	0.9
347.17169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01754	1.9
55.85062	0.8
57.03327	2.1
58.00460	3.2
59.01253	71.7
65.45088	0.7
69.03333	1.0
70.06126	4.1
70.42247	0.7
71.01255	42.1
72.99185	5.6
73.02818	2.9
75.00748	1.2
76.51236	0.9
77.17835	0.7
79.29379	0.8
81.03303	1.0
83.01255	3.1
83.04917	1.0
84.02067	0.9
85.02818	9.7
87.00745	2.3
89.02318	36.3
95.01280	3.8
96.89549	0.8
99.00760	1.1
101.02321	30.8
113.02328	14.6
119.03389	16.4
119.08559	1.8
120.65147	0.7
121.10122	53.6
122.10445	2.1
131.03433	1.2
137.09612	12.0
143.03412	1.4
149.04437	1.3
161.04454	1.0
165.09128	83.0
166.09482	5.2
179.05573	1.7
179.10634	0.9
183.10193	53.5
184.10532	2.4
225.11238	1.4
269.47617	0.7
302.10321	1.5
307.36093	0.8
345.15546	100.0
345.22418	5.3
346.15997	8.4
362.02448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0773
Annotation	Flustrabromine
Peak:m/z	Relative Intensity
56.49143	0.6
57.03321	15.6
59.01253	3.0
63.02273	2.7
65.00198	7.5
69.03345	0.9
69.51131	5.9
71.01240	1.7
74.49896	0.7
74.93147	0.7
78.85577	0.7
81.03348	1.2
82.62405	0.8
83.01261	9.6
89.02299	0.8
95.01265	7.3
96.02032	0.7
96.95881	0.9
104.86182	0.8
107.01279	5.6
109.02815	1.4
111.00768	2.4
113.02336	1.0
123.00764	5.2
124.01567	17.9
125.02341	100.0
126.02685	3.6
137.02321	2.6
139.00275	2.7
147.69429	0.7
151.00276	15.8
152.01070	28.2
152.04651	1.8
153.01772	2.6
161.02370	1.1
163.00336	1.6
165.01884	3.9
165.05522	0.7
169.01392	1.7
176.04710	0.8
178.99782	15.2
179.03477	2.3
180.00092	0.9
180.04137	1.0
187.03937	1.6
189.01936	1.7
193.05000	1.1
201.01985	0.8
201.05475	1.0
203.03415	1.7
207.02887	5.8
217.04926	1.4
218.05792	1.1
222.05319	6.5
227.03462	1.1
229.05051	2.6
231.02956	2.5
237.07663	6.9
244.07408	1.1
245.04527	3.4
246.05139	1.9
253.49864	0.8
255.03067	1.0
259.09854	1.7
261.07684	8.0
263.05521	1.1
273.04080	2.7
279.08713	1.6
288.06277	3.8
289.03592	1.7
303.08704	13.0
304.05902	4.1
304.08908	0.9
319.08224	72.8
320.08630	5.8
329.06564	2.1
347.07718	47.8
348.08102	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	345.1551
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.52817	2.9
57.03320	3.9
58.00463	5.3
59.01253	100.0
69.42844	23.8
69.43260	4.6
71.01254	61.5
72.99181	7.6
73.02811	7.6
75.00725	6.5
83.01263	4.6
85.02843	16.0
85.66325	3.7
87.00735	6.8
89.02325	56.2
95.01289	4.5
96.95889	5.2
101.02325	49.8
113.02337	21.4
119.03386	24.7
119.04920	9.4
121.10097	21.0
128.35571	3.2
153.09100	9.7
161.04465	3.4
165.09102	8.5
204.96881	3.5
253.65370	3.5
276.68152	3.6
345.10986	7.4
345.15433	53.7
345.22363	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90911	0.9
57.02720	1.0
57.03308	2.3
59.01246	6.9
71.01247	1.5
72.99184	1.3
73.02827	1.1
75.00756	7.9
89.02328	1.9
99.35252	1.0
102.80671	0.9
111.08025	1.4
134.94104	1.2
135.02892	36.6
147.66873	0.9
147.84581	1.3
165.12759	29.5
166.13156	1.1
171.13808	1.5
180.23906	0.9
183.13834	100.0
184.14146	5.6
196.80003	0.9
209.11736	2.4
227.12848	80.1
228.13167	5.0
235.61832	1.0
303.21753	7.2
307.94937	1.1
322.22818	1.1
341.16083	1.2
345.15591	12.0
345.22684	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	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.90881	2.0
55.01758	5.0
55.42641	2.2
57.03325	3.3
58.00456	6.1
59.01253	100.0
60.29552	2.1
66.15696	2.1
67.48180	1.9
71.01254	82.8
72.99171	9.8
73.02832	11.1
74.02351	4.1
75.00729	4.3
83.01242	7.2
85.02830	24.7
87.00736	2.7
89.02322	51.1
95.01267	5.9
99.00742	5.9
101.01701	3.7
101.02325	55.6
102.02686	2.0
113.02328	28.8
119.03396	22.2
119.04868	4.3
121.10126	23.6
123.34087	1.9
143.03366	2.4
153.09105	2.9
161.04378	4.3
165.03928	2.6
165.09125	7.5
183.10205	4.0
202.40770	1.9
227.12897	2.9
309.14987	3.0
327.14200	2.4
345.06253	2.1
345.11282	3.7
345.15524	70.6
346.16031	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	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.01001	1.1
59.01242	2.6
63.38471	1.3
71.57841	1.1
74.75838	1.3
78.76674	1.3
81.18325	1.1
81.64862	1.1
82.90263	1.0
121.10122	11.2
137.09619	2.3
139.11139	2.2
139.98761	1.1
165.09093	1.4
171.10184	74.2
172.10574	3.7
206.06888	1.3
293.21228	1.5
328.05960	1.7
343.24893	100.0
344.25177	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	345.0979
Annotation	5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.68211	0.6
57.21621	0.6
59.01258	1.3
63.02271	8.8
65.00196	4.4
71.07352	1.1
83.01265	7.5
90.96997	0.5
95.01259	0.8
107.01276	15.8
108.02066	1.3
124.01542	2.9
125.02343	2.8
136.01587	1.6
137.02310	0.8
137.09586	0.6
146.42757	0.5
149.99496	0.6
151.00278	24.3
152.01027	0.8
157.17664	0.5
164.01067	1.5
165.01840	2.3
169.01353	12.4
171.10222	1.5
177.01848	5.5
186.95412	0.6
189.01823	0.8
189.49036	0.6
196.00041	1.3
215.03340	0.6
217.04959	0.6
228.04042	0.6
231.02846	0.7
232.03772	2.8
243.02930	0.6
248.96017	0.6
256.03751	1.6
271.02426	1.0
272.03256	1.6
283.02545	4.1
284.03174	0.9
285.04068	0.6
287.05615	2.1
297.04025	1.6
299.01956	0.6
300.02740	6.2
301.07156	0.6
315.05109	54.0
316.05402	4.3
329.06714	3.2
330.07428	10.8
331.07712	0.8
345.09778	100.0
345.22974	5.5
346.10196	9.6
346.14188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03310	0.5
59.01240	2.5
69.03318	1.6
79.67640	0.4
83.04904	1.3
97.06457	0.8
99.08034	7.7
104.07009	0.5
121.10109	4.1
125.09624	2.5
127.11178	1.4
137.09622	1.1
139.11153	1.0
171.10179	29.0
172.10529	1.4
175.11136	0.9
193.12282	12.7
211.13383	3.3
225.14908	18.1
226.15118	0.7
243.16023	6.3
281.29483	0.5
293.21280	3.2
306.46133	0.5
311.22260	0.9
343.24887	100.0
344.25278	9.6
356.40887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97367	0.5
57.03329	0.8
59.01246	1.9
69.03321	1.3
71.01284	0.6
71.06966	0.8
71.07277	0.9
83.04898	1.2
97.06448	0.7
99.08030	7.3
107.86111	0.6
121.02897	0.9
121.10158	3.2
125.09630	1.9
127.11166	1.5
137.09605	1.8
139.11185	1.2
165.12776	1.1
171.10191	26.1
172.10515	1.3
175.11206	0.8
193.12279	13.4
193.13930	1.0
211.13319	2.1
215.81906	0.6
225.14908	18.3
226.15186	1.6
243.16023	6.5
293.21268	2.8
343.24890	100.0
344.25232	9.1
357.02338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01752	0.7
57.03315	2.5
59.01237	1.5
69.03324	1.3
71.04893	2.4
81.03342	1.1
83.04895	2.5
84.02044	5.3
85.02831	2.9
85.06469	1.8
86.93887	0.7
87.04383	3.6
87.53030	0.6
95.04905	8.1
97.06467	2.6
97.13936	0.7
106.04108	0.9
109.06490	0.9
113.05968	1.9
115.07623	0.7
118.64334	0.6
123.08026	0.8
125.09611	1.5
127.07498	0.7
127.11181	2.3
133.06532	0.8
135.08029	2.1
153.09138	1.3
163.11235	0.8
165.12793	1.3
167.14299	1.3
171.10167	15.7
172.10539	1.1
177.12726	0.7
183.13818	3.0
185.11743	1.4
193.12259	1.8
193.15973	0.9
197.11821	1.2
209.11731	5.2
211.13335	18.8
212.13663	1.2
213.14943	0.9
221.11850	1.9
223.13364	1.4
229.14418	23.9
229.28105	0.7
230.14760	0.9
237.14932	12.5
239.12863	2.6
239.98547	0.8
241.14352	3.3
249.14967	2.7
251.12878	1.2
255.16087	0.8
259.15610	0.7
267.15955	2.1
289.17999	3.1
299.05426	0.7
307.19159	2.2
325.20169	10.3
336.31555	0.7
343.21240	100.0
344.21600	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	1.2
57.33589	0.6
58.96119	0.7
59.01253	25.6
67.05367	0.8
69.03297	2.2
69.41547	0.6
71.01234	0.7
71.04861	1.4
71.37640	1.1
71.37985	1.5
72.99178	4.6
73.02811	0.9
73.35270	0.7
73.75991	0.6
81.03312	1.1
83.04893	5.7
85.02796	1.5
87.04415	1.3
95.04884	1.0
109.06445	0.9
111.04401	8.3
124.97388	0.8
125.09560	0.8
129.09140	1.2
163.11205	0.8
163.14751	0.7
169.12283	1.3
171.10143	1.5
171.13853	1.2
191.18013	3.9
191.57111	0.7
197.11725	2.6
199.13309	0.7
205.15886	0.9
211.13367	0.8
217.15916	0.9
219.17375	1.1
221.19092	1.3
225.18526	1.0
235.17026	0.9
237.14969	1.1
237.18576	13.0
265.18069	8.5
283.19171	6.2
301.20197	100.0
302.20575	10.0
325.20605	1.0
328.02109	0.9
343.04633	1.6
343.21259	27.9
344.21313	1.5
355.93927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28346	0.9
57.03336	1.5
59.01244	9.0
69.03319	1.4
69.99467	1.1
71.01254	10.5
71.04892	1.4
72.99210	1.2
73.02833	1.7
76.46513	1.1
81.03333	1.6
83.04897	4.5
84.02039	2.5
84.53262	1.0
85.02827	2.4
87.09599	1.0
89.61074	1.0
95.04928	7.2
96.65719	1.0
97.02835	2.2
97.06474	3.2
106.04159	1.3
109.06498	2.2
110.03606	3.0
111.04404	2.5
111.08074	1.4
123.08015	1.1
127.11280	1.2
153.09024	1.0
165.12709	2.4
167.14296	2.1
171.10147	12.6
175.11197	1.1
177.12747	8.8
183.13811	5.2
185.11685	2.1
193.12273	2.9
195.13831	4.1
201.11285	3.1
203.10757	4.8
209.11908	2.1
211.13327	10.7
215.12848	1.2
221.11787	34.9
222.12067	1.9
225.14961	1.4
229.14392	3.5
237.14935	1.3
239.12848	100.0
240.13191	7.3
271.15463	7.5
283.19141	2.8
301.20358	3.7
307.19019	1.6
325.20370	2.4
343.17517	14.6
343.21292	25.6
344.21780	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
58.00492	0.3
59.01255	5.1
65.12476	0.3
69.03325	2.5
71.01257	3.4
81.03359	0.5
83.01849	0.3
83.04903	1.5
84.02048	4.9
85.02827	0.6
89.02326	3.5
95.04900	0.7
97.02843	1.1
97.06470	13.9
97.07103	0.7
98.06850	0.4
98.19756	0.7
99.04414	1.3
99.74555	0.4
101.02325	1.4
111.08062	0.6
113.02331	1.3
119.03376	1.1
119.04861	0.4
119.08568	0.6
121.10123	0.5
123.08041	0.4
125.09646	1.9
127.11235	0.5
130.08620	0.9
131.08968	0.6
137.09624	1.7
149.13194	0.7
155.10696	0.6
163.11177	0.5
165.12759	0.9
167.83440	0.3
171.10185	13.4
172.10641	0.5
175.11232	1.3
177.12779	0.7
179.05524	1.1
183.13895	1.3
185.11787	0.7
193.12288	17.8
194.12582	1.1
197.15506	0.7
207.13922	0.4
211.13330	3.6
221.11775	1.7
225.14917	26.4
226.15305	1.7
238.12021	0.5
243.16002	11.5
244.16322	0.9
253.14500	1.5
274.08572	0.3
286.89896	0.3
291.19626	1.8
305.21277	1.2
323.22156	0.8
341.23318	100.0
342.23679	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.3
59.01255	8.6
67.45104	0.4
69.03338	3.2
70.58707	0.7
70.59033	1.0
70.97902	0.5
71.01244	4.8
81.03298	0.5
83.04902	2.3
83.97506	0.4
84.02051	3.1
85.02837	1.5
89.02316	6.1
92.26244	0.5
95.04868	0.8
97.02843	0.7
97.05878	0.8
97.06475	13.5
99.04403	1.2
101.02328	2.1
111.08025	0.5
113.02324	1.3
119.03384	1.9
125.09622	2.4
127.11171	0.9
137.09618	0.8
143.03406	0.5
149.13274	0.5
151.00174	0.6
151.11205	0.8
153.09138	0.5
158.94536	0.4
161.04510	0.7
165.12721	1.5
166.13370	0.4
171.10188	8.9
172.10626	0.4
175.11220	0.9
177.12805	0.6
179.05496	1.7
183.13844	1.9
185.11800	1.2
193.12283	20.7
194.12682	1.3
197.15404	0.8
203.10623	0.6
205.15820	0.5
211.13396	5.6
212.13847	0.5
221.11768	1.3
223.17020	4.5
225.14920	29.7
226.15269	2.0
227.32152	0.4
236.93491	0.5
243.15996	11.5
244.16267	0.8
253.14391	2.0
254.15157	0.5
267.16016	0.8
291.19708	1.3
323.22101	0.6
341.10800	1.4
341.23315	100.0
342.23669	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53772	1.7
55.01763	2.3
56.29690	1.4
57.03317	6.3
58.00465	2.5
59.00955	2.7
59.01250	46.7
67.01773	1.5
69.03307	2.0
69.33378	15.2
71.01254	34.7
71.04891	6.3
72.99181	3.3
73.02815	3.3
75.00739	3.9
80.02551	2.0
81.03330	8.0
83.01264	3.6
83.04900	16.2
84.02045	15.1
85.02818	8.8
85.06470	6.5
85.42999	1.3
87.00739	3.1
87.04382	4.8
89.02321	29.9
93.03345	3.8
95.01254	2.8
95.04900	30.0
96.61018	1.4
97.02842	3.3
97.06472	4.0
99.04406	3.2
101.02317	11.9
101.05937	1.6
107.04887	1.8
109.06477	9.8
110.03608	1.8
111.04397	5.8
111.08022	1.9
113.02338	11.9
113.05964	30.9
119.03387	10.9
121.02820	2.0
123.04449	2.0
123.08010	3.3
125.05974	5.6
125.09608	6.6
135.08057	3.8
137.05975	2.8
143.03427	2.5
149.04443	2.0
151.00394	1.9
151.07593	4.3
161.04454	3.5
161.88594	1.4
163.11218	8.6
164.03510	2.7
165.12755	4.1
171.10181	16.2
179.05525	10.2
185.11763	17.5
189.09105	1.7
191.10675	2.7
191.14285	3.9
195.10167	2.1
197.11798	13.8
198.12071	1.7
201.11256	7.9
207.10143	2.0
209.11772	100.0
210.12111	6.1
211.13356	2.3
221.11707	6.7
223.13353	7.4
227.12772	11.7
235.13351	16.0
237.14899	2.4
239.12915	4.6
247.13397	5.3
249.14922	2.8
251.12881	4.0
253.14444	4.6
258.09244	4.3
265.14447	4.3
267.07172	1.9
287.16473	4.4
299.18649	4.7
305.17584	12.0
323.15344	2.2
323.18628	10.8
341.10788	6.6
341.15747	2.8
341.19699	35.0
341.23499	2.0
342.19919	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	341.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
58.02849	43.0
59.01251	46.4
66.92679	1.5
69.03331	2.7
70.02853	44.1
71.01253	28.4
71.02364	5.2
72.99160	2.8
73.02854	1.7
75.43972	1.6
75.74997	1.4
81.01000	1.4
83.04891	1.9
85.02811	5.3
87.05503	5.4
89.02316	36.6
95.01266	2.1
95.02384	3.6
96.00788	78.3
98.20554	4.2
101.02319	15.5
113.02338	10.9
113.03452	30.4
114.01857	62.3
119.03397	12.5
131.03636	1.7
131.04517	47.0
132.04791	2.7
143.03403	3.3
161.04359	2.4
165.12706	5.9
179.05510	11.1
179.10648	2.8
182.15419	70.4
183.15706	3.3
195.13799	3.4
205.12254	2.9
208.17058	7.2
215.38741	1.5
223.09805	1.8
223.13326	8.5
225.16037	22.4
226.14442	75.2
227.14810	5.9
236.16408	2.8
239.12900	2.2
243.47887	1.5
251.51193	1.6
253.19133	2.5
255.02924	3.0
279.17120	36.7
280.17493	3.2
283.02466	2.7
297.18268	3.0
318.08322	1.7
323.16058	30.7
341.07074	2.7
341.11163	9.7
341.17078	100.0
342.17300	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.9
59.01252	53.3
69.03334	12.9
69.93331	15.1
70.60268	2.7
71.01250	36.4
71.04890	39.6
73.02843	3.6
78.89368	2.5
81.03333	38.0
81.03780	4.4
83.04901	28.8
84.02061	3.8
85.02825	9.8
87.00755	2.4
88.71782	2.2
89.02322	38.8
93.03326	6.8
95.04910	15.7
97.02834	11.7
97.06472	4.4
99.04395	47.9
101.02324	15.8
101.05969	3.2
107.04962	3.6
108.30103	3.0
109.02859	4.3
109.06483	18.0
111.04413	10.6
113.02334	11.5
113.06013	4.2
119.03367	13.2
121.06521	3.9
123.08050	4.2
125.09608	6.0
127.07529	4.6
127.11143	2.9
130.06265	2.5
133.06480	5.4
135.08017	4.0
139.07526	4.4
143.03436	4.4
151.00269	5.5
151.07573	14.8
153.09119	5.1
155.10657	4.7
161.04482	4.2
171.10190	59.7
175.11206	4.1
179.05569	14.6
185.11781	8.7
189.12878	3.5
191.14360	9.2
193.12245	21.5
195.10307	3.3
199.13367	4.8
201.11272	8.6
205.12335	3.0
207.13829	5.3
209.11751	5.1
211.13373	7.9
213.11180	2.5
221.11815	5.1
223.13377	8.3
224.91281	2.5
233.11870	3.4
235.13359	56.0
236.13783	5.6
239.12923	4.0
243.17584	7.6
247.13237	2.5
249.15059	4.3
253.14432	100.0
254.14764	5.9
283.43860	3.1
287.16513	29.5
305.17523	18.6
323.18713	8.1
341.10876	11.5
341.19608	33.0
341.23291	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	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.7
58.00454	2.9
59.01254	100.0
70.06234	9.2
71.01258	65.3
72.99171	2.4
73.02821	21.8
75.00749	4.4
83.01264	8.8
85.02826	16.8
87.00764	5.1
89.02317	45.1
95.01263	6.4
99.00753	3.7
101.02322	33.5
113.01599	3.3
113.02328	29.5
119.03444	13.2
119.04908	32.2
129.01785	3.5
131.03450	3.3
133.02850	5.9
135.04416	35.0
135.08104	1.9
137.05959	3.5
138.05492	4.2
143.03371	3.4
143.85077	1.8
146.80638	1.7
151.00270	8.4
159.02802	1.7
161.02386	27.8
161.04439	6.4
162.02640	2.1
163.03909	6.1
175.00327	2.9
177.04021	4.5
179.03426	38.4
179.05640	8.8
193.49092	1.8
195.05034	9.8
281.10303	7.9
299.11499	3.7
341.08224	2.7
341.11035	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	341.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.0
57.03318	9.5
59.01251	100.0
62.02687	2.5
64.45268	2.7
69.03329	4.4
70.38374	2.5
71.01256	60.5
72.99184	11.9
73.02805	4.4
74.88348	2.6
75.00758	10.7
81.03366	3.2
83.01272	5.5
83.04897	4.8
85.02808	18.6
87.00771	4.6
89.02318	67.8
95.01283	4.5
95.04932	3.4
97.02856	2.9
99.77728	3.1
101.02338	35.5
108.02064	5.8
109.06490	12.2
110.03598	3.4
111.00739	13.9
111.04414	4.0
111.08022	3.1
113.02337	25.4
114.01891	3.6
119.03414	23.6
119.04926	13.6
121.02840	5.2
122.03671	2.7
123.04386	4.4
125.06011	3.1
129.01845	16.3
131.03415	4.3
135.08057	6.3
136.01550	5.5
136.05197	16.2
137.06004	4.8
143.03438	7.8
147.08043	3.5
149.04504	3.2
151.00293	6.6
151.03952	3.9
157.02896	2.7
159.28900	3.0
161.04472	9.1
165.12697	3.8
171.10355	2.9
179.05574	16.7
179.14259	3.2
180.41144	2.6
181.12312	3.3
183.13841	3.5
183.52371	2.6
189.12720	4.6
191.14413	6.4
193.12326	5.1
195.13985	3.4
202.89490	2.6
203.14214	3.2
205.12312	7.8
209.11819	6.5
211.13324	42.6
211.65511	2.9
219.13844	3.3
223.13342	14.4
225.14873	5.0
226.14423	3.4
233.11906	4.1
235.13358	11.3
237.14980	3.8
243.13940	3.1
245.11815	14.0
247.13403	25.0
249.11475	3.0
249.14937	9.0
251.12863	88.4
251.16707	3.5
252.04335	3.6
252.13297	4.0
253.14494	11.8
259.13385	16.5
263.12857	28.2
265.14496	16.3
267.16238	3.4
268.07391	3.6
275.12875	5.0
277.14423	16.2
281.13998	15.6
287.12994	8.1
293.13983	10.3
295.06186	8.9
296.06784	6.1
305.13895	36.3
310.08432	5.4
311.05310	6.5
311.08533	9.7
311.15268	4.2
312.06232	3.2
323.14960	20.1
326.07559	4.8
326.11111	5.7
327.08698	11.0
341.10663	21.2
341.16150	23.2
342.11069	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.83108	0.3
70.00552	0.6
70.00948	0.9
107.04984	0.3
119.46268	0.3
147.08026	0.6
163.11191	100.0
164.11530	4.8
179.35927	0.3
263.59592	0.4
336.93497	0.3
339.23257	57.5
340.23575	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	341.0878
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03320	6.3
59.00952	4.2
59.01251	84.7
68.29230	2.5
68.82709	2.1
69.77673	17.4
71.01257	64.9
72.99195	7.0
75.00748	18.1
79.12627	2.2
83.01252	4.5
83.04941	2.4
85.02826	15.7
87.00748	9.6
89.02323	54.2
98.77997	2.7
99.00784	6.9
101.02332	29.2
107.01300	7.1
113.02330	19.5
113.03524	2.6
119.03411	17.7
119.04892	17.4
120.01132	7.0
129.01834	8.5
131.03438	2.7
133.02885	14.9
134.03632	7.7
135.04413	81.9
143.03412	5.7
145.02869	6.5
151.00287	18.1
161.02354	62.8
161.04489	6.5
163.03963	20.3
175.00299	5.4
177.04027	15.7
177.05305	3.0
179.03426	100.0
179.05478	10.8
195.05037	45.3
247.84528	2.4
335.31161	2.7
341.08807	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	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01252	9.1
65.00184	0.6
69.61730	4.9
71.01249	7.2
72.99185	0.7
75.00759	0.9
85.02819	1.9
89.02315	8.1
91.01691	0.6
91.05418	1.0
101.02319	4.6
107.04906	1.8
108.86383	0.6
113.02324	3.2
119.03373	3.4
119.04909	1.2
121.75259	0.6
134.03625	3.6
135.04411	100.0
136.04747	3.5
143.03391	0.8
151.00273	2.5
163.03867	1.1
179.03415	92.6
180.03745	3.8
195.04950	1.2
206.46872	0.6
210.54546	0.6
341.08728	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01757	1.3
57.03319	1.6
57.71727	0.7
58.00471	3.5
59.01253	100.0
67.57230	0.7
70.33468	1.8
70.33846	1.5
71.01255	66.9
72.01575	1.0
72.35613	0.7
72.99187	2.5
73.02814	1.1
83.01272	3.3
85.02825	10.2
87.00768	2.6
89.02319	76.9
90.02652	1.0
95.01260	2.3
101.02317	27.6
113.02335	23.9
119.02570	1.7
119.03394	25.2
125.02380	1.2
131.03400	3.5
135.04402	5.8
143.03398	5.8
149.04454	2.4
161.04480	6.9
179.03473	4.5
179.05528	21.0
199.81642	0.8
268.58170	0.8
341.10886	20.3
342.11176	1.9
343.43356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.3
71.01263	1.2
71.57994	1.1
96.95911	0.7
97.82465	0.6
101.02368	0.6
102.48766	0.6
117.03371	0.6
121.02824	1.3
135.04417	6.9
145.02859	3.5
146.03625	1.0
149.02383	6.3
163.03941	1.8
164.04720	6.8
165.06926	0.8
177.09216	1.3
179.07062	5.9
187.03955	1.0
191.08586	1.0
193.06575	1.1
207.08086	2.4
209.05869	1.0
217.06500	1.4
218.07445	0.7
219.08081	3.2
220.05339	0.8
221.06003	3.5
223.07767	0.9
224.04697	0.9
225.05530	1.2
225.09151	1.3
233.06061	1.8
234.06871	2.0
235.07593	6.5
237.09174	1.6
239.07092	1.9
245.06097	2.9
246.06781	1.9
247.07558	2.6
251.07172	1.4
253.05052	0.9
253.08661	4.6
261.05481	1.0
262.06326	2.1
263.07111	18.9
264.07578	2.6
265.08612	1.7
268.11087	1.5
274.06143	1.4
275.07184	2.7
276.07864	1.0
279.06558	0.9
280.07431	2.5
281.08212	30.3
282.08533	2.6
290.05823	0.7
291.06644	7.2
292.07364	2.7
293.08173	9.0
294.08939	3.4
295.09674	2.0
296.10498	4.0
307.09720	4.0
308.07108	1.1
308.10538	6.2
309.07700	100.0
310.08054	8.1
323.09229	27.3
324.10001	58.2
325.10318	5.9
339.12363	51.1
340.12665	4.5
358.96329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
69.78056	2.8
69.78466	7.5
71.01274	4.3
72.99178	1.3
73.02788	1.5
83.01256	2.3
96.95889	2.5
99.92499	1.6
101.02319	2.9
113.02317	1.8
115.91975	2.0
116.92711	2.2
118.08289	1.6
128.65239	1.5
129.10620	1.6
236.22513	1.7
279.14545	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.36630	2.0
70.89214	3.2
70.89529	3.5
76.29498	2.3
79.95622	2.3
85.02808	9.9
96.95891	15.0
111.70708	2.0
128.03427	6.3
129.01805	3.3
130.87512	2.0
143.04503	5.3
145.06046	3.8
191.01826	4.0
191.05632	3.0
209.02321	2.3
272.08994	3.0
296.08548	2.1
337.05841	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	337.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45262	3.9
59.01243	18.9
68.68315	3.9
71.57140	5.7
111.08051	40.9
134.09660	12.7
137.24699	4.4
166.53445	4.3
190.12338	30.1
197.15353	6.8
207.13814	6.5
225.12782	6.5
225.14915	100.0
226.15178	5.5
239.16537	10.3
263.84760	4.6
266.20792	5.6
291.23312	8.7
294.18478	4.3
301.21799	4.3
319.22821	21.7
337.23663	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	337.2386
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01250	63.6
60.83550	1.9
71.12897	4.6
71.13213	2.7
71.47012	1.8
77.83337	2.1
87.00748	2.2
97.06502	2.4
102.57726	2.2
172.17682	1.9
177.92114	2.1
208.56604	2.0
209.15480	3.2
239.16568	4.3
255.23181	3.2
275.23740	3.2
277.21750	2.9
295.22803	20.8
302.36282	2.1
309.24350	3.0
319.22800	57.3
320.23087	6.1
337.23834	100.0
338.24231	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	339.1237
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
65.03857	0.5
69.62115	0.5
69.97934	1.1
69.98329	1.6
76.82484	0.5
86.38648	0.5
90.49549	0.4
98.19823	0.6
108.02106	0.9
109.02940	0.6
117.03393	1.0
123.04532	0.5
145.02843	4.0
157.02908	0.7
163.03989	2.1
165.07094	0.8
171.10233	0.8
179.07135	1.1
179.08688	0.8
180.05867	0.5
191.05832	0.6
191.08731	2.0
193.06613	1.7
195.08130	1.1
196.08786	0.7
197.09648	0.5
203.07166	1.4
206.07358	1.0
207.08128	3.4
209.06061	0.9
217.06512	3.0
218.07242	1.2
219.08105	3.4
220.05379	1.3
220.08527	0.5
221.05988	3.1
223.07690	1.7
224.04836	0.8
225.05577	1.3
225.09241	1.9
233.06113	2.3
234.06834	2.1
235.07596	7.9
236.08305	1.1
237.05554	0.9
237.09100	2.8
239.07167	2.2
240.98547	0.5
245.06007	3.2
246.06848	2.0
247.07634	3.2
248.04785	0.7
248.08278	0.5
251.07159	2.3
252.07898	1.4
253.04924	0.9
253.08693	6.9
261.05594	1.2
262.06262	2.7
263.07132	21.9
264.07660	2.7
265.08603	1.6
267.10223	0.7
268.11166	2.1
273.05405	1.0
274.06345	1.3
275.07254	2.7
276.07837	0.9
279.06689	0.9
280.07480	2.9
281.08206	32.9
282.08563	2.7
290.05798	1.2
291.06628	8.2
292.07376	3.8
293.08203	8.7
294.08905	3.9
295.09641	1.5
296.10541	4.9
306.09204	1.0
307.09772	4.8
308.06885	1.3
308.10495	9.9
308.13922	0.4
309.07712	100.0
309.10962	4.8
310.08035	9.4
323.05313	1.1
323.09250	30.9
324.10028	79.3
325.10345	8.0
339.12378	61.1
340.12759	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.6
63.05486	2.4
66.54488	2.4
68.99693	3.0
71.01277	5.5
71.56739	3.4
75.00756	5.1
77.65137	2.3
78.33163	2.7
78.95773	23.2
85.02822	9.5
87.00780	3.6
99.00768	5.2
101.02293	2.6
110.98412	20.4
111.00758	3.2
111.01139	3.1
111.01875	36.3
113.02318	8.0
113.99465	12.0
115.00248	8.5
127.00242	3.2
129.01842	3.2
152.99478	4.9
157.01257	3.2
169.01321	3.2
174.01637	32.0
175.02367	3.9
277.05685	21.0
294.04028	3.1
337.04376	9.2
337.07794	100.0
338.07932	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01574	1.6
71.44695	1.9
72.99184	1.3
85.02818	1.9
91.32745	1.0
92.28428	1.1
96.95899	1.7
127.75636	1.1
138.43309	1.2
153.26634	1.2
274.73373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43200	0.4
55.01757	6.2
57.03326	5.6
58.00467	3.2
59.01252	74.4
60.01587	0.9
63.00705	0.5
65.83722	0.4
68.99693	0.7
69.03322	0.9
71.01256	100.0
71.04913	0.5
72.01608	1.6
72.99184	4.7
73.02819	25.0
74.79826	0.5
75.00755	1.9
82.96134	0.4
83.01260	12.8
84.02056	0.5
85.02827	42.1
85.69702	0.5
85.99958	0.5
86.03171	1.1
87.00753	4.9
89.02319	29.8
90.02652	0.7
93.52808	0.4
95.01270	8.0
95.16860	0.5
96.95888	0.5
97.02847	1.8
99.00759	12.2
99.04354	0.5
99.08055	0.7
101.02325	74.3
102.02628	0.9
111.00758	1.3
113.02332	41.5
114.02712	0.6
117.16592	0.5
119.03395	11.2
125.02319	1.7
127.11194	1.1
129.01816	1.6
131.03371	1.1
143.03412	3.5
149.04437	0.6
159.02902	8.1
161.04472	31.3
162.04755	1.2
173.15382	3.2
179.05528	0.8
201.11250	3.2
205.03441	1.0
225.11270	0.7
229.38028	0.5
273.54980	0.5
287.66043	0.4
335.17078	1.4
335.20740	14.5
336.20978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
55.01754	0.5
57.03319	0.7
58.00477	0.4
59.01250	5.7
71.01254	7.9
71.58964	0.6
72.99176	0.7
73.02824	2.4
80.26326	0.3
83.01266	0.7
85.02821	3.2
87.00755	0.3
89.02302	1.9
94.44382	0.3
95.01257	0.6
96.95893	0.6
99.00777	0.7
101.02325	5.4
102.05492	2.0
113.02322	3.1
117.99674	0.3
119.03421	0.7
131.09749	0.3
159.02902	0.7
161.04491	1.8
165.60368	0.3
179.14349	0.7
237.28818	0.4
318.17026	0.4
335.22278	100.0
336.18262	0.9
336.22583	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01756	2.5
57.03323	2.9
58.18573	1.5
59.01254	25.6
65.97338	1.3
68.99687	5.1
69.03325	1.3
69.52584	10.2
71.01254	39.8
72.01582	1.2
72.99183	11.1
73.02814	4.3
75.00744	9.3
76.31770	1.2
78.95786	2.3
83.01266	8.6
85.02827	12.8
87.00751	30.2
89.02319	23.1
95.01249	4.3
97.02838	3.9
98.19888	2.1
99.00757	19.2
101.02322	8.7
102.86543	1.4
103.00242	2.5
105.01805	1.7
110.98444	2.7
111.00766	15.8
111.01894	4.3
113.02325	14.1
113.99487	10.7
115.00275	12.4
117.01848	6.7
119.03333	3.4
125.02367	3.5
126.99410	2.7
127.00270	30.0
127.01133	2.8
128.00684	1.3
129.01860	6.8
131.03392	2.7
139.00298	7.6
141.01833	6.2
143.03395	2.2
147.02896	2.2
157.01335	48.1
157.18338	1.2
159.02832	2.1
161.04494	1.4
169.01299	3.3
174.00189	2.4
174.01620	37.0
175.02425	10.4
175.19849	1.4
179.05511	5.6
188.26814	1.4
212.63850	1.7
237.15915	1.3
245.75130	1.6
277.05646	10.9
294.04385	1.5
337.07770	100.0
338.08041	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	335.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
59.01252	5.2
59.65272	0.8
69.42970	5.5
69.43375	1.6
71.01242	3.1
71.04891	10.9
73.02815	1.8
77.84971	0.7
83.01248	2.2
85.02805	1.9
95.04900	20.6
97.02828	32.7
98.03164	0.9
98.20523	1.7
101.02316	1.4
109.06322	0.8
115.03909	5.3
121.02771	0.9
125.02330	6.2
139.03909	70.3
140.04225	2.6
159.48906	0.7
161.04443	1.2
165.01868	3.4
169.01346	14.9
183.02913	100.0
184.03246	4.1
186.53040	0.9
304.20023	0.9
335.13043	1.3
359.93878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69011	0.8
55.26833	0.8
55.54239	0.7
59.01245	2.3
66.92525	1.0
67.71906	0.9
70.27133	0.7
71.01268	1.4
80.04939	7.9
83.01270	1.3
90.59663	0.7
91.60419	0.8
92.04935	2.9
92.61684	0.7
94.06503	19.1
95.06840	0.8
95.54040	0.7
96.08054	0.7
98.19752	1.9
103.15111	0.8
107.01213	0.9
107.03678	1.4
108.04440	24.4
109.05241	1.3
110.06003	3.5
111.04404	1.6
120.04446	12.3
121.27434	1.0
122.02373	8.0
122.05986	4.7
124.03888	1.7
124.07552	5.5
125.02346	2.5
133.77620	0.8
136.03928	3.3
137.02339	1.2
138.05504	11.3
148.03928	7.1
148.17935	0.8
149.04721	1.1
150.05519	8.1
151.00275	2.7
152.03348	0.9
152.07146	1.1
154.05054	1.1
166.05016	100.0
167.05312	2.9
178.99762	9.6
180.03004	1.0
182.04533	2.5
194.04485	6.4
210.04025	93.1
211.04375	4.1
215.11844	4.6
227.11830	1.5
240.08942	0.9
273.12372	1.2
317.11337	2.9
335.12509	13.4
336.12686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0594
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
53.31941	0.4
58.35822	0.4
70.70213	1.1
74.82514	0.3
78.95777	100.0
80.96363	0.4
96.95902	0.8
96.96844	19.9
113.57669	0.4
150.97939	1.0
152.99493	74.3
153.99815	1.1
171.00563	8.9
188.77722	0.4
223.00058	1.0
241.01170	35.3
242.01474	1.3
253.98442	0.4
259.02316	1.6
333.05923	69.1
334.06247	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.9
70.98173	0.4
70.98481	0.7
71.01237	0.7
72.14473	0.3
78.03355	0.9
78.10549	0.3
80.04944	0.7
92.04942	1.9
94.02865	0.4
94.06483	4.3
96.95910	2.0
99.00768	0.4
104.04948	2.5
105.03349	2.8
106.06509	12.1
107.03625	0.4
108.04411	1.3
110.02324	0.3
110.05972	0.4
120.04446	6.2
121.05250	1.7
122.02337	0.9
122.06011	13.5
123.03177	2.4
123.06382	0.6
124.07565	0.6
125.02366	0.4
131.03697	0.8
132.04440	7.3
135.03143	0.4
136.03920	0.5
138.05507	22.8
139.00226	0.4
139.05849	0.8
144.08054	0.4
148.03941	0.8
150.05522	3.1
151.05795	0.4
158.09625	0.4
166.05028	1.0
173.08444	0.3
174.12752	0.6
188.07135	0.6
189.07869	1.5
202.12321	0.4
212.09566	0.5
213.06549	0.6
215.11827	1.6
217.07330	1.9
226.07487	0.6
229.09763	0.9
231.08949	1.0
231.11299	0.8
241.09830	2.8
243.11290	1.7
259.10864	0.7
271.10742	0.8
289.11945	100.0
290.12320	8.0
333.06085	1.8
333.10864	3.4
333.14572	2.3
333.20514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01781	4.0
58.02851	94.5
59.01246	8.0
60.97940	2.5
67.16035	2.4
69.23387	22.1
69.23807	8.2
89.39542	2.7
96.95877	2.9
98.87048	3.5
102.03375	3.6
112.07530	3.1
113.43102	2.7
116.04955	100.0
117.05268	3.7
118.06510	17.5
123.09181	22.8
126.09164	4.5
128.04962	2.6
129.10229	34.3
137.10733	6.4
139.08669	12.2
140.10727	5.4
141.10326	4.1
146.06076	4.4
154.08636	3.9
171.09843	3.0
171.11311	53.3
172.07626	5.9
174.05547	19.1
198.12849	10.7
210.10014	12.7
215.15491	17.1
216.13863	5.4
231.15027	7.5
242.11819	89.8
243.12180	4.1
257.16562	54.1
258.16840	5.4
259.14560	27.6
291.17102	10.1
301.15601	51.5
302.15927	8.1
333.09406	2.8
333.14075	4.6
333.17426	5.6
333.21262	20.5
334.20770	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
66.96726	1.3
69.03317	1.9
69.84014	6.6
84.02024	1.8
94.23209	1.2
97.02842	5.5
98.19865	1.6
99.08029	3.4
113.57878	1.2
127.07550	25.5
144.66560	1.2
146.64519	1.3
164.59985	1.4
165.12741	3.7
174.27855	1.2
181.12271	6.7
183.13802	6.6
201.08891	1.5
203.10461	3.4
213.54468	1.3
214.65773	1.1
219.09940	1.5
221.11566	2.8
223.13115	16.1
233.07924	1.8
233.11560	16.7
234.11966	1.5
235.09476	3.7
237.11125	2.6
261.11099	2.9
262.11884	16.9
265.10538	4.1
265.21637	1.6
267.12112	26.0
268.12341	1.8
303.19318	3.4
305.21164	2.2
314.97928	1.2
315.19476	6.6
319.18973	1.4
320.85999	1.3
333.20480	100.0
334.20712	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35577	0.8
59.01252	100.0
60.01585	1.1
68.83842	0.8
70.13064	3.6
71.01253	4.6
73.02814	1.5
83.01217	0.9
85.02831	3.2
99.00758	1.3
101.02317	3.5
113.02303	2.6
113.73717	0.9
133.04860	0.9
161.04449	2.3
241.71265	0.8
263.50757	0.9
309.67819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61018	0.5
59.01237	0.5
69.03329	11.1
69.84636	2.8
71.01215	1.5
81.03294	0.4
83.04871	0.9
84.02020	0.9
93.03307	1.1
97.02828	53.2
97.06441	1.3
98.03124	1.2
98.79087	0.5
111.04359	1.7
125.05981	2.9
127.07558	0.6
142.82010	0.6
152.00771	1.7
165.12756	0.5
166.81577	0.6
177.01576	0.9
178.02405	5.5
183.13811	0.9
191.03212	4.8
203.10539	0.5
210.01410	6.0
219.06326	7.6
221.11586	0.6
223.13142	1.5
223.25612	0.5
233.07939	1.2
233.11536	1.6
234.08676	1.8
261.11069	52.6
262.11832	100.0
263.12192	6.3
267.12097	0.7
277.10587	0.6
288.06754	0.5
294.10870	10.7
295.11148	0.8
313.17944	1.6
328.59860	0.5
331.18918	18.7
332.19238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78461	49.0
61.27396	49.3
83.03892	47.1
96.05537	42.0
98.19652	100.0
165.12776	92.1
229.37091	60.3
262.38672	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.9
59.01241	5.9
59.86686	1.2
63.02276	9.3
65.00201	11.1
67.01765	3.4
69.76096	8.5
71.01254	3.4
78.95779	1.3
81.03355	1.6
83.01253	10.8
88.03952	1.8
93.03333	6.5
95.01267	4.3
96.95928	1.6
98.19837	1.6
99.00753	2.1
101.02374	1.4
101.05942	4.1
107.01278	8.8
107.04923	2.9
109.02830	8.3
117.03336	1.6
117.63669	1.3
123.04474	1.5
125.02345	26.5
131.04926	4.9
133.02893	3.6
135.00777	2.5
135.04446	9.2
137.02333	9.5
139.05377	1.4
143.04938	2.3
145.06425	1.4
147.04436	2.5
149.02315	1.5
149.05949	2.7
151.00258	14.5
151.04013	1.8
159.04433	6.1
161.02321	3.5
163.00241	4.1
163.03976	1.7
165.01921	3.1
169.01286	1.7
171.04482	2.4
173.02361	1.9
173.05969	2.5
175.03885	7.4
177.01820	2.9
177.05527	4.0
179.03357	1.8
180.63284	1.3
183.04446	3.6
187.03885	1.7
189.05539	2.4
199.03955	3.9
201.01855	2.7
203.03415	4.9
210.84721	1.3
214.02681	1.8
215.03427	9.4
217.05049	6.0
227.03436	5.9
230.02103	1.4
233.04454	2.1
243.02985	5.8
245.04436	1.5
271.02524	6.7
289.03558	100.0
290.03922	8.8
328.34189	1.3
333.02466	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	330.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55268	0.9
56.42030	0.7
59.01240	3.4
60.23394	0.7
65.99727	2.0
66.03355	2.5
67.01743	0.8
68.01295	8.4
68.04945	0.8
68.99689	18.3
69.03351	1.2
70.02863	1.0
71.01255	5.1
71.56933	0.9
72.10475	0.8
82.02853	5.4
82.99990	2.2
83.01243	2.6
84.00769	2.7
85.02820	2.2
85.99976	1.7
87.00751	7.8
89.02337	1.3
93.03401	0.8
94.02863	6.3
95.01262	1.0
95.72734	1.0
96.00787	5.5
96.04428	4.7
96.99191	10.7
97.02827	1.7
97.90179	1.0
98.02364	2.4
98.71149	0.8
99.00758	11.0
101.02345	0.9
102.65888	1.0
108.04406	1.2
110.02363	8.3
111.00756	1.6
112.00292	13.9
112.03928	1.8
113.02324	2.2
114.01890	1.1
115.00298	1.1
115.60995	1.1
116.78291	0.8
122.02370	4.4
122.06006	16.0
123.99467	1.6
124.00301	19.3
124.03951	5.4
125.01072	1.7
126.01860	11.5
127.00281	6.7
129.01866	1.0
134.06023	0.9
136.03917	1.2
136.07588	7.1
138.01874	15.9
139.99814	1.2
140.03438	10.0
150.05518	42.4
151.05809	1.3
151.99803	2.0
152.03435	1.9
152.07071	3.6
154.01413	1.0
157.01337	3.5
159.02879	5.4
161.04683	0.8
162.05579	1.8
164.07117	1.2
166.01402	4.4
168.02936	25.6
174.05518	1.0
175.06328	1.8
176.07188	4.2
176.08528	0.8
184.02438	12.6
186.04007	17.0
194.08194	1.9
196.02429	4.3
196.86848	0.8
198.04013	8.7
204.06578	1.3
210.00412	3.3
222.07581	1.5
226.03574	9.0
230.03006	2.0
242.03091	7.4
252.08820	1.0
270.02567	36.4
271.02795	2.2
312.10886	18.2
313.11295	1.4
330.04675	100.0
330.11844	7.3
331.04932	7.3
331.12015	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
58.63859	4.3
59.01265	9.6
71.01254	7.7
71.52351	16.1
74.69848	5.5
83.01286	12.3
87.00756	21.0
90.68347	5.2
107.01308	6.7
113.02311	5.2
122.06031	35.1
125.02360	21.9
136.07603	10.9
150.05518	100.0
151.00281	14.5
152.07103	7.7
169.01352	18.6
176.07069	5.1
178.66394	4.8
270.02560	7.6
312.10876	45.9
313.11307	6.5
330.04773	13.4
330.12000	21.4
331.06747	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03320	3.4
65.00188	2.4
66.73893	1.7
70.00462	10.2
78.86534	1.7
83.01257	9.1
96.71503	1.8
107.01279	4.7
122.88811	1.8
122.89909	1.8
125.02345	41.6
151.00278	46.7
159.20056	1.8
167.03398	3.5
168.00505	3.9
169.01335	33.1
175.00308	8.5
193.01347	7.5
211.02455	3.1
246.55693	2.1
331.06708	100.0
332.07056	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
58.00459	1.3
59.01258	4.1
63.30370	0.6
66.68745	0.5
71.01257	0.5
71.50288	0.5
72.99186	0.8
73.39027	0.5
75.15013	0.5
87.31408	0.4
99.08035	6.3
122.36378	0.5
124.80609	0.5
125.09584	0.8
127.07556	0.9
127.11165	0.6
129.09113	6.0
139.11180	0.8
153.12790	0.6
155.10716	0.8
161.84703	0.5
169.12267	5.9
171.10170	1.5
181.12288	3.8
183.13824	1.6
185.11728	1.4
193.12276	1.3
197.11765	3.1
199.13335	16.3
200.13799	0.6
201.11253	0.9
206.27350	0.6
211.11446	1.0
211.13338	10.2
212.13673	0.6
227.12863	1.2
229.14429	1.9
275.20129	0.7
293.21255	3.1
311.22119	3.5
313.50586	0.5
329.23331	100.0
330.23685	8.0
338.96826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00220	1.4
52.06645	0.9
53.59560	0.8
57.03326	2.1
65.00188	1.2
65.99730	3.6
66.03358	2.5
67.01760	1.0
68.01289	8.2
68.99692	22.1
69.03336	1.6
70.02854	1.7
70.71992	1.7
70.72379	2.0
71.01250	3.2
78.03361	0.9
81.03328	1.7
82.02869	5.2
82.99996	1.8
83.01262	7.5
84.00790	3.5
87.00726	0.9
94.02863	6.5
96.00790	4.4
96.04440	3.7
96.99197	9.5
97.02836	3.1
98.02360	3.0
99.00760	9.8
106.02910	0.9
107.01266	3.6
107.40935	0.8
108.02154	1.0
110.02348	7.5
112.00291	14.2
112.03920	2.1
122.02384	2.5
122.03613	1.9
122.06001	1.1
123.00777	1.0
123.03910	1.0
124.00302	24.9
124.01563	3.2
124.03934	3.7
125.01034	1.8
125.02342	23.9
126.01867	11.4
127.00266	5.8
138.01862	12.0
140.03445	10.4
149.99483	5.5
150.05527	1.7
151.00281	9.5
151.99773	3.4
152.03424	1.6
157.01355	4.1
159.02898	5.5
166.01392	3.4
168.00632	9.1
168.02921	18.2
169.01328	10.1
169.18849	0.8
175.00206	1.3
184.02420	12.9
186.02469	1.5
186.04015	16.4
193.01347	1.7
196.02460	2.5
198.04021	8.6
210.00377	2.4
226.03520	9.0
230.03128	2.4
242.03070	5.7
270.02545	34.3
271.02826	2.7
278.19254	1.0
312.22073	0.9
319.16785	1.2
328.64444	1.0
330.04672	100.0
331.06873	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.6
58.00468	2.3
58.37253	0.4
59.01252	4.8
71.07555	0.5
71.07884	0.6
72.99186	0.7
79.63675	0.3
80.77161	0.4
83.04914	0.5
91.18421	0.3
97.06492	0.6
99.08040	11.5
112.27670	0.4
113.09602	0.5
127.07565	2.2
127.11137	0.6
128.93842	0.4
129.09117	8.5
139.11162	0.4
155.10692	0.6
155.14359	0.9
169.12274	9.1
171.10249	0.6
181.10739	0.7
181.12270	6.3
183.13846	1.5
193.12238	2.1
197.11765	2.6
199.13344	22.1
200.13689	1.1
211.13356	11.6
212.13683	0.7
227.12846	0.8
229.14490	1.2
275.20163	0.6
293.21359	2.4
311.22269	3.2
326.77655	0.4
329.23340	100.0
330.23679	7.4
350.11047	0.4
353.05936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03304	1.4
58.93033	0.5
61.07657	0.5
69.03308	0.7
69.32982	5.3
71.04874	0.7
83.04916	1.0
97.06441	0.8
99.08045	8.4
125.09618	2.2
127.11196	5.5
129.09111	0.8
137.09602	0.5
139.11186	6.4
155.10646	1.1
155.14333	1.4
157.12227	0.6
165.12706	0.8
167.14296	1.6
171.10173	18.0
183.13820	5.9
193.12254	2.0
199.13338	1.0
209.11806	2.0
211.13339	37.8
212.13707	2.6
229.14407	20.8
230.14880	1.1
244.69659	0.6
250.96202	0.6
292.68582	0.6
293.21158	0.9
294.21445	0.5
311.22214	1.2
329.23315	100.0
330.23691	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	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.69911	0.5
58.00459	1.3
59.01252	3.2
62.25578	0.4
69.03339	0.5
83.04935	0.5
91.48045	0.4
97.06470	0.8
99.08037	9.1
118.14256	0.4
127.07549	1.6
129.08220	0.8
129.09108	8.1
137.81050	0.5
139.11209	0.7
141.75903	0.5
153.12799	0.4
155.10684	0.7
155.14345	1.2
165.54451	0.4
167.10690	0.5
167.14313	0.5
169.12276	5.2
181.12260	5.2
183.13837	1.9
185.11658	0.4
193.12280	2.0
197.11742	3.0
198.12158	0.9
199.13356	22.5
200.13721	1.0
209.11771	0.5
211.11478	0.9
211.13364	13.4
212.13651	0.7
227.12881	1.0
229.14410	2.3
229.32050	0.7
234.05833	0.5
293.21298	3.4
294.22083	0.4
311.22351	2.9
317.77032	0.4
329.23331	100.0
330.23651	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69987	2.3
59.01253	100.0
69.03336	2.4
69.26327	29.1
71.01250	9.9
76.50578	2.8
79.35357	2.5
85.02817	6.7
89.02312	4.0
97.06435	2.9
99.00740	2.8
101.02296	4.6
102.05457	4.0
108.26455	2.8
111.96384	2.3
112.95214	2.4
123.04377	4.3
125.02277	3.7
151.00270	4.8
163.60860	2.4
167.03380	5.4
199.17764	2.8
209.11731	13.9
227.12743	5.8
241.10753	2.8
243.70114	3.2
258.06277	3.9
273.08844	5.6
276.37616	2.8
279.87384	2.8
283.10806	3.2
299.10620	3.4
329.11331	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59514	2.4
59.01252	100.0
60.49677	2.1
65.73701	2.1
71.01260	21.0
71.57555	3.0
73.02822	2.7
85.02854	6.2
87.00774	2.5
89.02308	2.5
94.00069	2.3
101.02334	5.7
113.02345	3.9
130.08623	3.3
137.82358	2.3
142.52779	2.7
161.04509	6.6
269.10352	5.1
329.12302	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	329.1396
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
52.23661	0.8
69.81108	2.2
69.81525	2.7
72.23058	0.8
83.83672	0.7
90.06573	0.8
93.03312	1.6
97.33646	0.8
98.19799	1.3
105.03349	1.1
108.02055	1.0
109.02788	1.0
115.05404	1.4
119.04912	1.2
121.02852	13.6
122.03642	5.5
123.00774	2.5
123.04433	1.6
124.01554	1.6
131.03404	0.9
131.04907	2.0
136.01611	1.3
136.05211	3.2
137.02341	2.6
137.05969	1.2
138.03079	1.0
143.04910	2.9
145.02844	1.3
145.06409	0.8
147.04439	10.4
149.02365	4.2
149.05980	1.4
150.03134	17.1
151.03897	1.3
153.05482	1.2
158.03653	15.9
159.04440	47.3
160.05222	100.0
161.02394	1.0
161.06001	38.9
162.06313	1.5
163.03935	14.4
164.04715	14.4
167.10646	0.9
173.06003	11.9
175.07571	73.8
176.04726	1.5
176.07872	4.5
177.05484	21.2
178.06285	19.2
192.07883	1.2
193.08641	9.5
271.02551	1.4
277.65799	0.8
284.10684	0.8
299.01874	1.5
314.04742	1.6
314.11581	2.1
329.13953	83.9
330.14258	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	329.0668
Annotation	9-Demethyl FR-901235
Peak:m/z	Relative Intensity
59.01211	2.0
67.52858	0.6
67.88229	0.6
68.78696	0.6
71.01244	0.7
71.57760	0.7
71.58126	0.8
78.57111	0.6
78.65460	0.5
83.01227	0.5
88.03895	0.7
99.08057	2.8
102.37329	0.5
107.01260	0.7
125.02309	0.6
125.09550	0.9
127.11144	2.0
131.68266	0.6
133.02823	0.6
137.02344	0.8
139.11118	0.8
151.00252	3.3
161.01085	1.0
161.02356	15.3
162.02707	0.7
165.12758	0.7
167.14252	1.0
171.04399	1.3
171.10197	3.0
177.01762	0.9
180.89951	0.6
183.04424	1.6
183.13844	4.2
185.02354	3.4
187.00281	1.3
193.12280	1.1
199.03882	2.7
199.13313	0.7
201.01865	1.0
203.03447	6.3
209.11690	1.4
211.13335	18.8
212.13736	0.9
215.03441	2.4
227.03468	14.6
228.03871	0.8
229.01347	1.9
229.14417	10.4
243.02968	6.1
255.02969	0.7
268.03699	0.8
271.02487	51.4
272.02890	3.7
285.04001	2.5
285.18823	0.8
293.21274	1.3
299.01971	100.0
300.02267	7.0
301.03708	0.9
313.03534	6.6
314.04324	62.7
315.04691	5.1
328.22333	1.3
329.06674	95.4
329.23331	52.7
330.06982	8.3
330.23804	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	329.0668
Annotation	Khrinone C
Peak:m/z	Relative Intensity
52.56980	0.5
57.03342	0.5
59.01246	1.9
63.02270	2.5
65.00201	2.2
67.01752	0.5
69.03313	0.7
70.86983	1.4
77.41379	0.5
80.83898	0.4
83.01262	2.0
93.03323	0.7
93.04274	0.4
95.01256	2.6
99.08055	0.8
107.01279	4.3
108.02075	3.8
109.02831	2.0
117.77868	0.5
122.03665	0.5
123.00811	2.6
123.01579	0.4
124.01563	15.9
125.02379	4.7
129.31464	0.5
133.02867	1.7
136.01569	2.9
137.02344	3.0
139.11127	0.6
150.03165	0.8
151.00284	5.1
152.01080	6.1
158.03687	0.5
161.02356	1.0
163.00314	0.5
164.01057	6.6
165.01857	6.9
169.01395	0.6
171.10219	2.0
175.03864	0.7
177.01857	25.5
178.02356	2.1
187.04070	0.7
189.01822	0.7
196.00046	3.8
199.03987	0.7
203.03462	0.7
211.13391	1.8
213.05704	0.7
216.04126	0.7
217.04945	1.5
224.04836	1.5
227.03430	1.4
240.04311	0.5
241.04997	0.9
243.02931	1.0
244.03726	2.0
245.04510	2.1
265.12836	0.5
267.02930	0.9
268.03748	1.3
269.04663	0.7
271.02509	1.7
285.04022	4.3
286.04758	0.7
295.02640	1.1
296.03293	2.2
299.01886	0.8
313.03537	8.1
314.04291	5.8
329.06665	100.0
329.23340	9.6
330.07007	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	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01274	2.4
63.68082	2.1
71.43973	2.4
72.36145	2.4
81.03336	11.5
83.01261	4.1
95.04900	11.7
97.02837	4.9
99.04401	2.6
103.73714	2.7
122.03645	3.0
123.04411	17.5
125.02325	15.4
137.02289	2.7
137.05995	14.2
165.05411	3.4
167.03419	57.0
179.03426	8.0
181.04826	2.8
209.04498	100.0
210.04778	3.5
221.04442	2.5
239.05540	30.2
282.75391	2.3
329.08725	6.1
329.16165	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.15390	0.5
57.03317	1.9
59.54576	0.6
61.84157	0.6
69.03316	1.7
71.01232	1.1
72.70293	0.5
81.03322	0.7
83.04887	1.6
85.02829	6.3
95.04879	1.3
97.02852	1.1
97.06468	6.9
98.19707	0.8
109.06408	0.6
125.09602	1.2
127.11180	2.6
137.09566	1.2
155.10709	1.2
165.12746	0.9
167.14294	1.6
171.10193	13.4
177.12654	0.6
183.13795	5.1
185.11705	2.5
193.12270	2.3
194.36845	0.6
197.11790	1.3
203.10759	0.7
209.11798	1.8
211.13342	27.8
212.13751	1.4
221.11707	3.4
225.23735	0.6
229.14427	16.6
230.14674	0.7
239.12836	2.3
291.19705	5.5
309.20776	1.9
327.21762	100.0
328.22076	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
58.00461	1.9
59.01247	4.5
62.09946	0.9
69.03326	1.7
69.33545	11.7
71.01249	2.8
83.04911	1.3
85.02845	1.2
87.04408	1.5
97.06464	2.5
109.06472	1.3
111.08031	9.2
121.02971	1.0
125.09624	1.7
137.09589	2.7
159.74127	1.2
169.12253	5.0
171.10201	18.5
181.12366	2.1
185.11806	5.5
197.09972	2.1
197.11780	38.8
198.12172	1.6
199.13327	6.0
201.11194	2.0
209.11722	2.8
211.13319	6.6
221.11700	2.7
223.53868	1.4
229.14479	2.0
239.12923	1.8
239.16527	10.4
291.19690	6.5
309.20706	4.0
321.40646	1.2
327.05350	1.6
327.21783	100.0
328.22018	9.1
330.70499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53739	1.1
57.03313	2.0
58.00495	1.1
59.01245	3.6
61.11872	1.0
62.10034	1.0
69.03323	2.8
71.01272	1.1
71.23247	1.0
73.02826	5.9
75.19238	1.1
82.12402	1.4
85.02822	2.3
87.04422	1.5
97.06474	3.7
98.03589	1.3
99.08035	2.9
108.25439	1.2
112.05192	2.7
114.37519	1.3
115.07541	5.5
116.97108	1.1
125.09650	2.0
127.07544	4.3
127.11170	3.7
129.09117	34.0
130.09462	1.5
134.39110	1.1
137.09573	1.8
141.09111	12.9
141.12737	1.9
155.10683	33.0
163.11174	1.5
165.12749	1.8
171.10178	27.9
172.10561	2.4
173.08029	1.2
183.13902	1.9
185.11766	54.1
186.12070	1.5
197.11774	48.4
198.12045	1.9
201.11252	2.3
209.11818	8.5
211.13301	3.9
219.25153	1.1
229.14389	2.1
247.20505	2.2
291.19666	14.6
309.20712	30.2
310.21091	2.9
327.21780	100.0
328.22028	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.21035	1.4
57.03329	2.1
58.00462	2.2
59.01245	9.6
69.03342	1.8
70.88663	2.2
70.88998	3.0
73.02818	2.6
73.77020	1.3
85.02819	5.7
87.80743	1.4
88.28674	1.5
97.06467	4.3
115.07529	4.0
127.11121	1.8
129.09113	5.6
137.09569	2.3
153.12761	1.9
155.14305	4.3
163.00368	1.6
167.14395	1.8
171.10196	13.7
183.04480	2.0
183.13840	8.2
190.99892	2.0
197.11794	26.1
199.03862	3.3
199.13315	7.6
201.11273	4.9
211.03958	3.7
211.13396	12.8
215.12843	1.7
226.02762	1.5
226.68132	1.6
227.03358	4.4
227.12840	5.4
228.13130	1.6
229.14424	100.0
230.14723	4.0
239.03383	3.2
239.16432	2.3
240.04272	2.0
255.03024	7.6
256.03632	2.5
265.21848	2.9
267.19614	5.1
269.17648	9.6
283.02444	8.1
284.03259	2.5
285.20728	23.4
291.19727	4.7
309.20700	11.6
311.02057	5.3
312.02765	73.1
313.02985	8.3
327.05109	41.6
327.21780	43.6
328.05405	5.0
328.22122	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00460	2.0
59.01248	3.0
64.33413	0.6
69.39133	6.5
74.10609	0.6
74.68466	0.7
85.81829	0.7
95.04692	0.7
96.94238	0.7
97.06482	1.7
109.06461	1.0
111.08051	9.0
112.08391	1.0
113.22832	0.7
127.07552	1.3
137.40317	0.9
153.12769	1.1
169.12276	5.5
171.10144	1.4
181.12286	2.8
183.13702	0.8
189.14780	0.7
197.11768	48.7
198.12126	2.9
199.13335	8.1
211.13399	7.1
221.11737	0.9
223.16373	0.7
227.12886	1.4
229.14378	1.7
239.12863	1.0
239.16515	2.7
263.20059	0.9
291.19666	3.5
309.20810	3.5
327.21777	100.0
328.22116	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09951	1.5
57.03325	3.6
65.68668	1.6
71.01290	1.5
71.04901	3.6
72.52797	1.7
80.02521	2.3
83.04904	2.5
84.02038	22.4
84.99053	1.9
85.02824	1.8
93.03374	1.6
99.08028	3.5
113.09606	7.2
123.08077	2.4
125.09600	5.2
127.07506	3.4
127.11172	10.8
129.09119	16.3
135.08026	2.1
137.09627	31.1
141.09088	5.6
155.10699	53.0
156.11021	2.9
171.10187	100.0
172.10497	4.5
185.11728	20.9
197.11780	21.9
201.11261	26.3
209.11807	17.8
211.13380	1.9
213.11334	14.8
227.12775	2.6
264.11566	2.0
291.19669	6.5
297.04044	2.2
309.20673	9.5
327.21777	74.9
328.22137	8.2
333.95404	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.85358	0.7
57.03314	1.7
58.00465	2.2
59.01249	5.9
69.03324	1.4
69.24625	6.0
69.25031	1.1
71.01254	0.9
73.02831	0.7
83.04913	1.4
85.02808	1.8
97.06483	3.1
103.08077	0.6
109.06522	0.7
111.08044	8.7
123.08067	0.9
125.09609	1.9
127.07552	1.4
129.09140	1.0
137.09625	4.1
153.12755	1.6
155.10699	0.8
169.12268	4.7
171.10184	15.3
171.11610	1.1
172.10576	0.9
181.12291	2.5
183.13847	1.9
185.11752	2.4
188.08353	0.7
197.11766	47.3
198.12093	2.3
199.13309	5.9
201.11292	4.1
209.11800	1.3
211.13322	7.0
221.11725	1.0
227.12779	0.8
229.14421	3.3
239.12781	0.7
239.16530	4.1
291.19690	6.4
309.04144	0.7
309.20682	5.6
312.02643	0.9
327.05109	1.2
327.21771	100.0
328.22079	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	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25492	0.5
53.78167	0.4
59.01255	1.3
62.87703	0.5
71.38989	0.6
71.57658	0.8
85.62252	0.5
88.03922	0.9
93.03330	10.5
96.95872	0.6
102.05489	1.0
106.04137	0.8
107.04922	2.0
112.39181	0.5
119.04914	3.0
121.02833	0.7
131.04912	1.6
132.04649	0.5
132.05702	15.6
133.06494	100.0
134.06827	4.1
145.06540	0.8
150.03146	0.5
158.03625	1.6
159.04469	1.4
164.04700	10.2
176.04718	1.0
208.03699	0.7
239.10745	91.5
240.11095	7.5
265.08618	4.6
281.93741	0.6
283.09756	2.1
284.03339	0.8
312.09085	0.6
327.05283	0.7
327.08832	2.0
327.21783	1.4
328.17719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
51.91692	0.8
64.84111	0.8
69.31939	9.8
90.73595	0.9
92.99962	1.0
93.03335	3.4
98.20582	1.8
102.05485	1.4
108.02038	1.0
109.02870	1.9
119.04917	2.4
121.02852	21.9
123.04405	2.1
131.04860	1.0
135.04395	2.2
145.02866	1.4
146.04584	1.5
147.04420	6.4
158.03621	1.3
159.04446	2.2
163.03975	1.8
163.53349	1.0
174.61449	0.9
175.02492	1.6
175.03934	19.3
175.05457	1.2
179.08609	1.1
190.06281	6.6
195.08031	1.4
196.05199	1.0
197.05956	2.8
203.07043	2.0
205.06622	1.1
207.08208	1.7
209.05962	2.6
211.07620	2.7
213.05492	1.2
219.04637	1.1
221.06067	2.3
222.05205	7.0
222.07013	0.9
223.07591	7.1
225.05585	2.7
233.06154	4.7
234.06889	1.6
235.04016	1.1
235.07655	1.7
237.05452	3.4
239.07123	7.4
240.07791	1.5
241.04999	2.5
241.08643	1.4
249.05554	3.6
250.06355	3.2
251.07117	11.5
252.07632	1.2
253.05006	1.0
253.08644	1.3
254.05849	2.4
261.05490	5.7
262.06323	1.9
263.07111	2.1
267.06619	12.1
268.07333	3.9
269.08188	20.5
278.06012	1.4
278.09470	3.0
279.06653	18.2
279.09753	1.9
280.07095	3.4
282.09116	3.1
283.09802	6.8
294.09070	8.8
296.06897	2.1
297.07709	84.4
297.11063	5.7
298.07935	5.3
309.11331	32.5
310.11664	4.7
311.09225	3.4
312.10037	77.8
313.10297	4.5
327.12372	100.0
328.12735	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	327.0874
Annotation	Garvin C
Peak:m/z	Relative Intensity
54.05999	0.9
56.98263	0.9
59.01252	1.0
69.23645	7.1
69.24069	3.1
90.58350	0.8
93.03338	86.8
94.03686	1.9
109.02799	1.3
118.03086	0.8
119.04928	9.0
121.02869	4.6
121.48755	0.8
127.96359	0.9
132.05714	2.0
133.05501	1.1
133.06494	15.1
143.04948	3.6
145.06500	58.2
146.06819	3.0
147.04391	1.5
163.03893	3.7
171.04413	2.3
175.03957	5.6
189.05510	25.5
190.06076	2.2
202.96832	0.8
222.05208	2.1
223.07602	72.2
224.08357	31.0
225.08792	1.4
233.04411	1.9
237.09166	3.2
239.10741	100.0
240.11108	8.5
249.05391	1.2
250.06317	1.8
251.07028	1.8
265.08731	6.9
267.06561	4.8
268.07098	1.5
269.08133	4.6
278.05637	1.1
279.06583	3.7
280.07202	1.2
281.08215	2.2
282.08896	1.0
283.09772	80.2
284.10019	6.3
294.08972	2.2
297.07724	18.4
297.11111	1.8
298.08023	1.3
309.07648	4.4
309.11328	4.7
312.10065	14.1
327.04794	1.9
327.08698	27.3
327.12393	16.1
327.21796	1.6
328.09070	3.2
328.12796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
53.32200	1.1
59.01253	14.7
67.99519	1.2
70.86572	3.4
71.01245	5.1
73.02832	6.2
74.96964	1.0
80.94293	1.0
83.01292	1.7
85.02841	1.6
87.00760	1.3
89.02307	2.1
92.56236	1.2
93.03338	30.4
96.99197	6.1
101.02322	4.4
108.02094	1.5
110.02084	1.1
113.02277	1.1
117.03343	2.5
119.04926	29.7
121.02882	2.0
123.04409	15.7
130.04187	1.6
131.04941	8.7
133.02892	5.4
143.04935	22.5
145.02840	5.1
147.04416	2.7
153.74490	1.1
154.96147	1.2
163.03931	15.2
171.04398	3.2
188.07884	1.1
209.82307	1.2
211.07578	8.2
219.08119	1.3
221.09561	1.9
223.07657	3.2
235.07608	4.7
237.09189	9.2
239.10703	1.6
240.60725	1.2
247.07559	1.4
265.08691	25.3
266.08914	1.3
267.08704	4.2
279.52829	1.2
283.09842	5.5
285.09763	5.9
309.07697	7.9
327.08743	100.0
328.09006	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	327.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02712	0.3
59.01244	0.8
65.00185	0.7
67.09987	0.4
71.04865	0.3
72.46261	0.3
79.85281	0.4
88.03914	0.8
93.03322	0.4
97.06434	0.5
103.06464	0.4
109.99979	0.6
121.02767	0.7
132.02061	1.1
133.02876	0.4
135.00781	0.4
143.04933	0.8
145.02824	0.4
149.99449	0.4
151.39001	0.4
155.04979	0.5
156.05785	0.5
158.03654	0.5
159.04408	0.6
160.98645	0.6
161.02390	1.7
163.00258	1.5
167.04842	0.7
169.02800	0.6
170.03491	0.4
171.04408	1.2
183.04475	3.2
184.05211	0.9
190.99803	2.7
195.04405	0.4
198.03091	0.7
199.03871	2.1
200.04723	1.2
210.02948	0.6
211.03946	4.0
212.04698	1.0
226.02675	0.9
227.03470	5.9
228.04131	2.6
237.01958	0.6
238.02597	0.6
239.03436	3.9
240.04225	4.5
254.02135	0.6
255.00314	0.5
255.02957	9.0
256.03711	2.2
267.02957	1.6
268.03760	2.8
269.04330	1.0
283.02481	8.8
284.03207	2.8
311.01978	6.1
312.02753	100.0
313.03119	6.7
327.05096	50.5
327.21817	5.1
328.05347	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	10.6
58.00455	2.2
59.01233	5.6
65.47350	1.7
69.03323	5.4
70.69361	6.0
71.01248	5.9
71.04888	12.1
80.02547	2.9
83.04894	3.7
85.02825	1.9
87.04391	5.9
95.04932	4.7
97.02839	4.0
97.06469	7.7
107.04926	3.3
109.06477	40.9
110.06824	2.0
111.04346	2.2
111.08012	1.8
113.02385	1.8
123.08096	3.2
125.05979	3.1
127.07541	4.2
142.61523	1.8
151.11209	2.8
153.12753	2.3
167.10603	3.2
167.90697	1.9
169.12245	6.9
181.12262	7.2
183.13783	3.9
193.12210	3.1
197.11774	53.6
198.12112	2.3
199.13321	2.7
201.11319	8.6
209.11723	3.7
211.13335	37.6
212.13689	3.0
219.13802	2.0
223.13208	2.1
227.12834	4.6
235.13339	7.9
237.14922	22.6
245.18900	3.0
249.14861	4.9
254.87704	1.8
267.15866	1.7
289.18039	17.5
298.64459	2.0
307.19183	5.6
325.20187	100.0
326.20508	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.53593	0.4
56.77604	0.4
57.57077	0.4
59.01248	0.4
69.32405	0.4
70.14597	1.3
70.14992	0.7
91.64191	0.4
108.83864	0.4
110.19494	0.4
117.20203	0.4
119.04852	0.5
149.09621	90.0
150.09947	3.0
163.11194	100.0
164.11557	5.2
183.01123	11.3
184.01744	1.0
197.02660	0.9
211.51976	0.4
265.25262	0.5
268.74246	0.4
268.97195	0.4
304.16693	0.4
325.18320	18.9
325.21713	85.8
326.18658	1.7
326.22083	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.8
57.64348	1.0
58.00463	5.2
58.11530	0.9
59.01241	1.3
62.23989	1.2
68.76817	0.9
70.55197	3.9
75.53916	0.9
84.02060	1.3
85.77608	1.0
97.06444	2.6
108.92951	1.0
113.05982	1.1
115.07526	3.0
127.07515	3.1
151.11195	6.9
153.12781	4.6
155.10600	1.4
155.14331	1.9
165.12714	2.2
169.12320	1.7
171.10182	1.4
181.12306	2.2
183.13791	1.1
191.10606	1.2
197.11774	10.4
199.13359	27.6
209.11868	6.3
211.13373	1.5
215.12854	9.0
227.12857	100.0
228.13147	5.8
229.14415	19.1
245.19112	2.2
269.21234	1.5
289.18097	2.8
291.42569	1.1
297.20700	1.4
307.19174	10.1
325.09781	1.3
325.20029	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.0
58.00476	5.4
59.01249	2.2
70.03064	8.2
83.04933	1.8
95.04920	1.7
97.06483	3.8
98.20468	2.1
99.08082	2.7
113.05985	5.4
115.07545	9.6
127.07522	11.5
151.11238	18.2
153.12773	16.2
155.14342	5.4
157.74237	1.5
165.12772	3.9
169.12338	2.1
181.12360	3.4
183.13782	1.8
197.11771	25.0
198.12148	1.7
199.13313	25.0
200.13799	2.5
209.11823	6.4
211.13362	2.1
215.12869	25.6
227.12860	100.0
228.13245	5.5
229.14430	60.8
230.14740	2.7
245.19135	2.8
263.20221	3.8
269.21329	2.3
279.19586	1.8
283.19089	2.5
289.18066	5.7
297.06723	2.4
297.20737	4.3
307.19162	18.1
325.09695	3.5
325.20248	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.2
59.01252	3.4
70.69374	7.6
71.01257	7.2
71.04916	3.9
79.00157	1.9
80.02573	2.1
83.04906	8.3
84.02075	5.4
95.04897	5.7
97.06467	7.7
99.04392	2.6
99.08062	3.9
103.69662	2.2
109.06479	2.4
111.08110	2.4
115.07536	3.4
125.09606	9.6
127.07546	18.3
135.08096	6.5
139.07553	5.1
153.09094	22.7
155.10645	5.4
163.11237	6.3
165.12749	2.5
171.10178	29.8
175.11528	2.4
178.09990	5.3
185.11743	23.3
191.10732	4.2
197.11786	21.5
209.11769	98.6
210.12105	5.0
211.13379	5.1
235.13144	2.4
237.14926	7.1
238.12119	4.7
249.14877	3.1
256.13116	5.0
279.19617	4.1
289.18182	18.1
307.19131	100.0
308.19498	8.6
325.20190	44.9
326.20551	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03320	9.5
58.00465	2.6
59.01244	8.8
69.03329	5.4
70.29521	1.3
71.01253	4.1
71.04900	13.1
73.02805	2.3
80.02547	4.3
81.03321	1.8
83.04892	6.8
84.02036	4.6
85.02824	2.1
85.06475	5.7
87.04397	4.6
91.05427	2.7
93.03317	2.0
95.04903	3.2
97.02837	7.6
97.06478	6.2
98.20663	3.3
104.30459	1.7
106.77241	1.3
107.04893	3.0
109.05725	3.1
109.06478	53.8
110.06808	2.1
113.05906	1.7
115.07484	1.5
123.08057	2.1
125.06004	5.6
127.07526	5.1
151.11224	3.3
153.12762	3.6
167.10701	2.2
169.12274	10.7
179.10580	2.0
181.12279	7.8
183.13768	3.4
193.12248	6.3
194.47859	1.4
195.13733	2.6
197.11781	89.8
198.12088	3.0
199.13339	6.7
211.13345	55.2
212.13690	2.8
219.13882	1.6
223.13322	1.7
227.12869	3.2
231.13948	1.9
235.13312	9.3
237.14915	11.1
245.18872	1.5
249.15071	4.1
263.16580	1.8
265.07684	2.4
289.17966	7.0
307.19098	4.3
325.20200	100.0
326.20523	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	325.114
Annotation	H disaccharide
Peak:m/z	Relative Intensity
59.01252	100.0
69.46057	28.8
71.01255	44.2
73.02828	19.5
73.53232	3.0
83.01268	9.8
83.56580	3.0
85.02823	14.9
89.02313	24.9
99.00791	4.2
101.02329	44.5
113.02300	17.1
119.03369	9.9
119.04889	16.7
121.04959	26.3
130.90637	2.8
133.61681	3.4
143.03468	5.7
161.04468	12.1
163.03889	11.3
163.05983	4.5
179.05551	5.6
187.06119	4.4
265.09232	12.0
283.10342	36.2
325.07736	3.3
325.11353	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03309	1.7
58.00468	1.1
58.45159	0.5
59.01251	1.4
66.92036	0.5
69.03323	1.5
71.01260	5.9
71.04917	1.6
71.92892	0.6
72.02036	0.8
73.02811	0.6
73.48635	0.6
74.89148	0.5
77.59765	0.6
80.02549	2.1
81.03329	2.1
83.04906	7.0
84.02056	5.6
85.02824	1.8
95.04893	1.6
97.02838	1.7
97.06474	2.6
99.08042	4.3
99.94139	0.6
109.06463	1.8
111.08047	1.7
115.07533	2.8
125.05962	1.1
125.09627	3.9
127.06625	0.9
127.07551	18.2
135.08029	0.7
137.09613	1.6
139.07576	3.6
141.12715	0.9
148.66164	0.7
153.12790	0.9
155.10704	2.3
157.08719	1.2
163.11211	7.2
165.12766	4.1
171.10248	1.1
178.09929	2.6
181.12277	0.9
185.11768	18.5
186.12210	0.8
191.10617	1.8
195.10269	1.6
197.11775	19.5
198.12190	1.4
207.10170	1.4
209.11781	100.0
210.12120	4.8
227.12790	3.4
236.10495	1.0
237.11391	0.7
238.12100	6.8
239.16373	1.4
245.19177	1.6
251.16512	0.6
253.18153	0.8
256.13174	4.7
263.20038	1.0
265.07440	0.9
265.18045	1.6
279.19681	1.4
281.07013	0.7
281.21405	0.9
289.18161	6.2
290.18570	0.8
307.19177	66.8
308.19406	4.8
313.24115	0.7
313.75961	0.7
325.09686	1.2
325.20218	22.4
326.20654	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01244	0.8
60.70078	0.4
70.11063	2.2
75.30270	0.4
78.84453	0.4
84.18053	0.4
98.06476	0.4
117.03343	1.7
119.04916	100.0
120.05221	3.1
145.02847	6.4
163.03918	57.1
164.04265	2.7
287.86911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
57.74281	0.2
59.01254	5.0
63.59803	0.2
69.61507	1.5
71.01254	3.0
72.99187	0.4
76.60361	0.2
85.02819	0.7
89.02324	2.0
99.20635	0.2
101.02319	1.3
113.02357	1.2
113.55228	0.2
117.03353	20.4
118.03664	0.7
119.03401	0.6
119.04922	6.0
119.05734	0.4
120.05232	0.3
133.06512	0.6
139.88997	0.2
140.75885	0.2
140.77106	0.2
145.02858	100.0
146.03192	4.2
147.22885	0.2
147.93803	0.2
159.04437	0.6
161.06007	1.5
163.03923	9.3
164.04295	0.3
176.04672	1.4
177.05138	0.3
179.10680	0.2
187.03935	3.8
191.07083	1.7
205.05054	1.4
222.69649	0.2
235.06102	0.6
265.07135	1.8
304.06833	0.3
325.09290	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70749	0.3
59.01254	4.4
64.25789	0.3
69.72665	1.9
71.01253	3.1
72.99181	0.6
85.02813	0.7
89.02319	2.3
95.01224	0.3
101.02304	0.9
113.02335	1.2
117.03351	20.8
118.03698	0.8
119.03413	0.6
119.04911	5.3
133.06482	0.8
134.03618	0.5
145.02853	100.0
146.03183	3.6
149.06050	0.4
159.04446	0.5
161.05995	1.3
162.06754	0.5
163.03923	8.6
164.04347	0.4
177.05478	0.4
180.07919	0.5
187.03932	3.9
205.05037	1.8
206.01413	0.7
235.05867	0.5
265.07236	1.4
272.22458	0.4
325.09268	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.53223	0.8
57.03320	1.5
59.01248	1.2
59.26023	1.0
70.14844	3.0
70.15252	1.7
80.37412	0.9
83.04884	1.0
91.79281	1.0
95.04863	1.2
95.34541	1.0
100.11697	1.0
107.04901	2.0
111.08052	2.0
111.28171	0.9
115.71346	0.9
125.09648	1.8
163.11139	1.3
165.12791	6.9
167.10716	1.0
181.12228	2.7
183.13808	1.3
191.14339	2.3
209.11864	1.1
217.15822	2.0
247.20717	3.9
263.20203	1.3
273.18622	3.2
291.19675	100.0
292.20068	10.0
305.21078	2.0
308.19958	6.4
323.22278	78.7
324.22662	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	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
60.89550	0.4
71.01245	1.3
71.05522	0.9
72.99181	0.4
78.45711	0.4
78.47950	0.4
80.08586	0.4
83.01349	0.4
89.02280	0.4
90.97716	0.4
93.03311	0.7
101.02332	0.6
117.03348	0.9
119.04916	100.0
120.05256	4.5
125.02351	0.5
145.02858	3.0
163.03918	67.3
164.04312	2.1
204.03914	0.4
274.57614	0.4
300.02591	0.6
325.13510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.17914	4.1
53.89771	4.1
57.03318	14.1
59.01254	40.1
69.03334	3.3
71.01249	12.5
71.04901	14.0
75.00762	20.4
81.03318	6.8
83.04892	11.2
85.02834	13.4
85.50552	4.3
87.00724	6.0
93.06965	4.6
93.90066	3.5
95.01283	5.1
95.04907	44.2
97.06466	8.9
99.00770	4.4
106.04107	9.3
107.04900	8.0
109.06476	36.3
113.02325	7.9
114.01865	5.2
121.06464	10.9
122.03619	44.6
123.08051	15.2
125.05993	8.5
125.09595	12.0
127.07626	4.8
133.06499	61.4
135.08078	31.3
139.07574	5.1
147.04434	18.9
150.13287	3.8
151.07549	70.5
151.11237	5.0
158.09698	10.8
159.09990	10.1
161.06050	7.2
163.11221	7.7
165.12761	4.7
171.10188	81.7
174.12799	29.8
175.13138	43.7
185.11766	11.7
189.12749	11.6
195.62758	3.9
197.11736	3.5
209.11790	8.8
211.13208	4.3
223.13269	32.4
233.11833	5.9
239.16763	3.9
243.17503	38.2
249.14931	12.6
263.16489	7.7
265.14450	13.8
277.17963	4.7
278.95206	4.2
279.19412	13.6
287.16541	95.8
288.16891	7.9
305.17596	100.0
306.17880	11.1
322.68063	11.7
323.18619	72.1
323.68784	6.3
324.18997	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.6
59.01237	18.8
59.73660	3.4
59.74742	3.4
71.01257	9.1
71.04890	11.5
71.57384	3.5
71.57807	4.8
81.03325	6.5
83.04901	14.4
85.02827	3.8
91.28661	3.5
95.04867	6.8
97.02893	4.2
97.06465	10.5
101.02266	3.9
107.04920	17.3
109.06480	7.2
119.04999	3.6
120.78692	3.6
121.02833	8.1
121.10124	11.0
123.08032	5.9
125.05972	4.4
125.09587	18.6
135.08096	7.7
137.09608	22.2
149.09656	7.5
153.09088	17.5
161.09720	3.7
163.11227	7.9
165.01892	3.5
165.12767	5.3
171.10204	26.0
177.12885	6.7
181.12294	6.1
185.11807	17.6
191.10680	6.6
193.12239	5.0
197.11798	16.8
207.10295	7.6
209.11777	100.0
210.12149	5.1
225.11240	11.4
225.14735	8.1
243.17598	4.2
253.14296	4.8
261.18631	5.8
273.18591	10.5
279.19699	7.3
287.16452	12.1
291.16724	6.8
291.19708	82.9
292.20020	6.1
305.17560	92.2
305.21228	39.7
306.17795	5.6
323.18533	22.7
323.22241	67.6
324.19254	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
59.01262	15.8
70.33108	6.3
71.01260	6.2
71.04877	2.6
72.89959	2.1
79.56346	2.4
80.02575	2.8
81.03327	2.9
82.05847	2.5
83.04921	8.7
84.02029	2.5
85.02828	4.5
95.04906	7.6
97.06462	3.1
100.22788	2.3
105.13502	2.8
107.04921	22.3
108.47067	2.4
109.06497	7.1
111.08000	2.9
111.54824	2.5
113.05972	3.6
121.02847	4.8
123.08039	3.4
125.05962	5.3
125.09618	10.5
135.04402	2.9
135.08075	6.8
151.07501	3.5
153.09109	13.3
163.11214	7.6
165.12772	4.5
171.10150	6.8
176.08356	5.4
178.10048	3.0
197.11725	11.8
207.10199	10.0
209.11786	100.0
210.12183	5.3
225.11279	12.0
226.11647	2.4
235.17018	5.4
236.10658	2.4
243.17569	3.5
261.18546	8.6
279.16327	5.3
279.19629	5.6
287.16492	15.2
305.17584	90.7
306.17938	8.4
323.05835	2.8
323.09781	4.6
323.18658	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.76230	0.9
54.08205	1.0
57.03333	1.3
59.01247	3.0
59.76324	0.8
67.43893	0.9
69.03335	1.3
71.01248	1.9
81.03364	0.8
97.02828	1.6
97.06472	1.2
100.47198	0.8
119.04910	1.0
123.04395	1.3
123.08063	1.9
125.09620	8.1
127.07543	1.3
127.11039	0.9
133.78674	0.9
137.09616	1.3
163.11203	6.2
165.01857	0.9
165.09206	4.5
165.12732	2.1
177.12729	2.3
181.12308	4.5
197.11758	6.4
207.10204	1.5
221.11789	5.8
229.50529	1.1
239.12917	5.0
247.20709	1.1
253.14406	1.4
261.22327	2.0
273.18286	1.1
291.19684	17.9
305.21231	37.3
306.21579	2.6
307.19095	3.0
308.19894	8.8
323.22269	100.0
324.22595	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.3
59.00954	5.7
59.01253	100.0
65.41817	3.1
69.78279	7.6
69.78686	15.6
71.01257	50.8
72.99165	6.2
85.02830	10.3
85.08077	3.0
86.11779	2.8
89.02316	45.5
95.01280	6.3
98.19864	5.4
99.00762	12.1
101.02333	22.8
113.02327	16.9
114.01846	56.7
119.03364	16.1
138.43611	3.3
143.03435	3.1
174.04021	20.4
263.06464	4.7
278.90845	3.1
305.17554	3.4
323.08722	21.6
323.13486	60.4
340.96951	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.06008	2.8
65.22563	3.1
69.57558	16.6
69.57975	8.2
71.01260	62.3
72.99167	6.2
85.02824	11.6
87.00739	3.9
89.02319	74.3
95.01263	6.7
99.79552	3.5
101.02327	45.0
113.02341	27.7
114.01883	6.4
119.03405	34.6
131.03429	3.7
133.02861	3.4
143.03336	3.8
160.26497	3.0
161.04465	3.9
161.08170	4.4
162.16560	3.2
176.17836	3.0
179.05583	4.0
185.40959	3.0
211.39200	3.9
220.90390	3.2
238.37466	3.6
249.06250	3.5
309.88345	3.7
323.13501	95.1
324.13867	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	323.1501
Annotation	yanuthone I
Peak:m/z	Relative Intensity
55.01748	3.2
57.03315	7.8
59.01040	1.6
59.01255	17.7
67.01740	6.5
68.64233	2.0
69.03315	9.6
69.96615	10.7
71.01255	10.6
72.99181	15.5
73.02823	6.5
75.00725	3.0
78.84663	1.8
80.02547	5.5
81.03336	5.4
83.01261	3.7
83.04905	5.6
85.02833	18.4
93.03377	3.4
95.04895	15.9
97.02815	3.2
99.00790	3.1
105.85128	1.7
107.04900	1.9
108.02044	24.3
109.06477	16.1
110.03616	3.1
111.00765	75.9
113.02325	9.8
121.02831	6.2
121.06464	4.9
122.03630	6.8
123.04423	4.0
123.08052	2.1
125.02370	2.7
133.06441	1.9
134.03621	4.3
135.04388	2.8
135.08046	3.1
136.01593	2.5
136.05205	51.6
142.02643	2.8
144.00598	2.2
145.02885	2.7
147.07979	2.4
148.05225	3.4
150.03156	4.0
151.03920	2.4
151.07549	4.1
157.06522	2.7
161.05943	2.4
161.09645	2.8
165.12753	3.9
175.11223	3.4
176.04735	2.2
177.12764	6.5
179.14337	7.1
183.13852	2.2
185.09705	1.9
191.14342	7.2
203.10793	2.0
203.14265	3.4
205.12311	2.4
209.11719	10.8
211.13304	23.2
215.14377	8.0
217.12254	3.2
217.15878	3.1
219.13860	3.8
221.11760	6.9
221.15451	8.5
223.07510	2.0
223.13358	73.5
224.13713	4.7
227.10750	3.6
231.14006	3.4
233.11757	3.8
233.15437	6.8
235.13425	14.1
237.14977	12.8
243.13840	3.6
245.11783	10.5
247.13397	52.0
248.13689	3.9
249.11188	3.3
249.12192	2.8
249.14902	30.7
250.15398	2.2
251.07263	2.3
251.12880	39.3
251.16553	4.6
252.13264	3.1
259.13382	52.2
260.13727	5.5
261.14807	11.7
262.26996	2.0
263.12836	14.9
265.04990	2.8
265.14444	65.2
266.14819	4.1
269.11859	5.4
275.12906	2.6
277.14441	38.2
278.14902	2.2
280.07489	5.4
281.08319	3.9
287.12857	24.8
288.13229	2.3
291.06638	2.6
293.13983	3.5
295.15530	8.7
305.13965	86.0
306.14297	5.3
308.06927	3.3
309.07642	10.5
323.09369	11.4
323.15012	100.0
324.10095	4.9
324.15350	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	321.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22513	0.3
57.03331	4.2
59.01244	1.0
69.03339	0.5
70.02833	0.3
71.04888	1.6
74.77232	0.3
81.03343	0.6
83.04908	0.8
93.06988	0.8
96.95889	0.8
97.06474	1.4
101.05976	0.6
107.04918	9.0
108.05276	0.4
109.06508	0.6
121.06501	1.7
123.08056	100.0
124.08401	3.6
130.08679	0.4
133.06526	0.5
133.10110	1.1
135.07997	0.6
149.09607	0.7
159.08047	0.5
160.08850	1.3
161.09628	1.0
161.15587	0.3
175.11214	6.4
176.11606	0.4
177.12787	10.1
178.13148	0.7
184.16113	0.4
189.09158	1.3
202.09981	0.6
203.10757	0.6
204.11514	15.6
205.11928	0.7
207.13908	1.0
240.83736	0.3
241.12383	1.0
249.18634	0.4
259.17197	0.5
262.15802	1.5
277.17984	0.5
303.16190	0.7
321.13690	0.8
321.17081	10.9
322.13968	0.4
322.17468	1.0
333.29977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.99580	0.9
59.01254	100.0
71.57088	1.2
81.33678	0.9
103.03920	1.8
321.08301	1.3
321.20718	48.1
321.24557	2.3
322.21036	3.8
328.09875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
50.04339	1.5
59.01253	2.9
70.80807	5.4
78.95770	16.0
79.95592	1.8
80.96409	5.4
99.36648	1.7
146.33876	1.6
223.16971	18.0
224.17732	3.2
243.04047	1.7
251.16510	16.6
252.17136	1.6
256.16864	5.1
284.16187	4.1
303.23254	12.2
304.23593	1.7
321.24411	100.0
322.24677	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	323.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.1
66.28699	0.7
68.01285	3.1
70.02848	2.8
70.83331	0.8
71.01248	2.4
71.05032	2.0
84.00816	0.9
86.02348	3.4
89.02323	2.1
96.95872	1.7
99.00760	5.5
101.02306	1.8
112.00291	1.3
114.01858	100.0
115.02212	1.5
119.94633	0.9
124.00313	6.6
156.17200	0.7
174.03999	32.6
174.05533	1.7
175.04338	0.9
249.72069	0.7
263.06726	8.2
263.52838	0.8
323.08862	32.2
323.13242	2.4
324.09161	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26096	1.3
55.01758	2.1
59.01255	100.0
69.68605	5.1
69.69037	5.1
71.01257	6.4
71.48675	1.2
71.76203	1.6
79.64817	1.2
80.43549	1.4
84.77706	1.3
86.73806	1.4
89.02327	4.5
94.06492	1.7
96.95916	5.7
97.02802	1.5
101.02322	3.3
113.02328	2.0
119.03411	1.3
125.02335	2.2
129.01782	1.6
134.07573	1.5
136.07529	1.3
136.44331	1.4
147.02844	1.9
173.11775	13.5
321.10107	2.6
321.15598	4.4
331.07367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00425	0.6
55.01751	1.3
57.03312	0.8
58.00463	2.0
59.01253	51.1
60.01574	0.8
65.35411	0.6
69.07500	0.7
69.24184	8.3
71.01254	30.7
72.99180	2.8
73.02808	2.1
75.00759	0.8
83.01253	2.8
85.02814	7.0
87.00751	2.2
88.03958	0.7
89.02319	23.7
92.06786	0.7
95.01281	2.7
96.95903	2.2
99.00771	0.8
101.02326	18.4
109.83997	0.6
111.07996	0.9
113.02341	10.4
113.09612	36.9
114.09965	1.5
119.03391	8.5
127.11189	0.7
137.73543	0.7
138.63524	0.7
141.09102	6.4
143.10696	1.6
155.10690	3.8
157.12187	0.6
159.10179	87.5
160.10506	2.3
161.04440	1.0
179.05457	1.3
201.11226	2.2
206.11765	0.8
321.15543	100.0
322.15912	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0616
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
54.22052	5.1
57.03345	6.7
59.01251	42.8
65.32398	5.4
66.55162	5.2
67.01765	6.5
71.01233	12.7
72.99165	8.9
81.03333	10.8
83.01266	10.5
85.02841	35.3
87.00774	6.7
93.03303	8.7
95.01288	18.7
95.04902	6.9
96.95897	29.9
97.02840	17.8
99.00783	17.5
109.02845	75.6
111.00784	50.2
111.54272	4.9
113.02354	10.4
115.00346	5.6
119.04932	5.8
121.02853	14.4
123.00788	17.0
123.04412	20.1
124.01569	9.4
124.03257	5.4
125.02341	84.4
127.00298	10.6
127.03941	6.5
135.04419	10.3
137.02370	61.5
139.00238	38.2
139.03859	14.5
140.01091	6.9
141.01848	46.5
147.04414	8.6
149.02354	41.6
151.03966	5.8
153.01845	100.0
154.99774	46.8
161.02361	18.4
163.03984	9.5
164.01050	5.8
165.01848	18.0
167.03407	15.4
173.05986	12.4
175.03949	24.4
177.01837	24.1
181.05011	12.5
183.02879	9.1
185.06091	7.0
191.03392	8.3
193.01352	7.4
199.04002	7.5
217.04993	17.2
229.50865	5.8
235.06050	8.3
241.05013	10.7
253.78171	5.3
259.06058	16.8
277.07242	9.3
285.04184	12.6
303.05154	36.5
304.05121	5.9
321.06171	78.7
321.09940	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	321.065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01253	21.5
69.03304	1.1
71.01268	2.0
71.56777	1.4
71.57744	1.0
79.95613	1.2
85.02814	1.7
86.42245	1.0
89.02364	1.3
91.10480	1.1
95.04900	2.9
96.95890	100.0
98.95458	1.2
109.06474	2.8
111.08047	3.5
123.08032	7.2
125.33939	0.9
129.38712	1.0
146.04478	1.0
149.09622	3.3
167.07030	1.1
173.08099	4.5
179.10667	1.7
194.99382	1.1
202.50844	0.9
238.04767	1.0
238.68759	1.2
241.10764	13.8
270.97934	1.0
321.06500	44.5
321.10275	1.7
321.15155	1.8
322.06787	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30191	1.5
57.74189	1.6
59.01252	100.0
63.76877	1.6
69.60944	2.1
69.61271	13.8
71.01261	7.0
75.00723	1.9
79.37358	1.9
81.82986	1.8
89.02316	3.0
96.95882	6.4
99.00800	2.6
101.02339	3.6
111.18520	1.9
111.45240	1.6
113.02308	3.5
117.70960	1.9
125.02346	4.3
128.65475	1.7
138.05482	2.7
173.11732	8.2
178.15813	2.0
193.49564	2.2
209.94633	1.8
283.23816	1.7
321.10287	2.5
321.15781	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40958	1.1
55.01766	1.3
57.03317	2.7
58.00454	4.1
59.01251	100.0
60.80188	1.2
69.23288	1.2
70.89713	4.0
71.01257	60.3
72.99185	8.0
73.02814	1.8
82.17315	1.2
83.01270	5.3
84.50323	1.2
85.02824	9.3
86.56728	1.3
87.00710	2.2
89.02316	57.3
93.03304	1.6
95.01256	5.0
96.95896	7.4
101.02329	44.8
101.03000	2.3
107.50511	1.2
113.02335	23.5
113.09610	3.1
114.02657	1.1
116.22945	1.2
117.83170	1.3
119.03394	22.7
119.04843	1.5
125.02369	2.0
131.03448	1.6
141.09111	18.7
150.07819	1.3
157.01488	1.8
159.10188	6.7
161.04416	1.9
179.05498	1.9
186.82076	1.2
203.07082	1.6
221.04631	1.8
321.09940	4.9
321.15546	74.7
322.15887	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	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	10.4
69.57648	8.8
72.00774	5.4
76.92963	1.1
81.03320	3.4
82.06481	2.5
91.05410	12.9
112.07565	3.8
113.73402	1.2
118.06518	3.3
125.02337	4.2
126.09154	2.0
129.10237	88.8
130.10571	2.0
147.04433	29.8
148.04716	1.8
153.10255	5.0
154.08640	13.0
163.03868	2.5
164.07088	77.3
165.07387	4.7
171.11308	63.6
172.11607	1.9
178.06232	2.9
233.16548	42.9
234.16792	3.0
271.06177	3.6
275.17642	7.0
275.74121	1.2
277.15500	3.9
289.07312	1.7
301.10764	2.5
319.11993	13.0
319.16605	100.0
320.13419	1.6
320.16971	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	319.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
58.00469	5.2
59.01253	16.9
69.03290	0.9
71.01257	2.7
71.15070	1.7
71.15432	1.5
72.99180	2.2
73.02820	17.3
84.02046	1.3
85.02841	1.8
87.71529	0.9
95.04914	1.2
97.06447	1.9
100.01574	1.0
105.68132	0.8
107.04917	1.0
111.08057	2.2
119.68851	1.0
125.05982	3.1
139.07526	2.3
242.54829	0.9
245.22675	1.0
250.15875	1.5
255.21271	1.3
259.20715	1.9
261.22214	2.2
263.23895	3.1
273.22192	7.3
289.21805	1.4
291.23315	14.6
301.21768	3.1
319.22778	100.0
320.23117	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.8
57.03315	1.8
58.00468	4.2
59.01252	14.5
66.85498	0.8
69.32166	8.1
71.01244	2.9
72.99203	1.4
73.02820	14.5
77.27307	0.8
77.49255	0.8
83.04900	1.3
85.02821	1.5
85.99967	0.8
97.06449	1.3
111.08047	1.3
115.28296	0.9
122.21362	0.8
125.05975	2.8
127.07542	1.2
139.07500	1.6
183.58736	0.8
250.15700	1.1
256.66275	0.8
259.20667	1.3
261.22156	2.8
263.23810	2.0
273.22195	5.4
275.23682	1.5
289.21869	1.0
291.23349	11.7
301.21857	1.8
306.82791	0.9
319.22772	100.0
320.23093	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0823
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03313	0.7
59.01251	5.2
64.95424	0.7
65.03835	1.0
65.70712	0.6
71.01254	3.1
71.57562	0.9
72.99204	0.9
73.02833	2.6
75.00751	0.7
81.03325	1.8
83.01284	1.2
83.04887	5.4
85.02837	1.9
89.02323	1.3
93.03337	40.6
94.03701	0.8
95.01258	1.4
96.95908	2.6
99.00751	1.2
101.02345	2.3
109.02831	1.5
111.04408	10.6
112.04725	0.6
113.02331	2.0
117.03366	6.9
119.04918	100.0
120.05257	3.8
125.02313	1.6
129.01784	0.7
137.02348	27.8
138.05476	0.9
145.02855	21.2
146.03317	0.8
153.34595	0.6
155.03404	20.1
161.04454	1.7
163.03920	92.4
164.04276	3.8
173.04472	1.9
177.05501	0.7
242.49455	0.6
279.29773	0.7
301.03644	0.8
311.27628	0.7
319.04803	1.3
319.08304	10.8
319.12244	1.5
319.17609	1.6
319.21216	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95463	0.8
53.29018	0.8
55.01770	1.1
55.32202	0.8
57.03321	2.7
59.01250	11.8
65.82417	0.8
69.42532	2.0
69.42942	5.9
71.01262	4.1
71.04887	7.7
83.04894	1.1
89.02337	2.2
91.03887	3.0
92.65325	0.8
95.04893	1.2
96.95908	4.1
97.02822	6.7
97.06496	4.2
99.00761	30.6
109.06492	1.8
110.03639	3.0
110.65690	1.0
123.08064	2.7
125.09614	12.5
126.09897	1.0
127.11106	1.7
129.01923	0.9
142.02617	2.0
145.10284	1.1
153.12752	2.1
155.14342	2.6
160.03990	2.0
163.11223	16.2
163.12523	1.5
164.11549	1.3
165.01875	1.7
179.10710	1.6
181.12268	50.6
182.12621	2.9
183.10117	1.3
197.11772	3.2
199.13336	50.6
200.13698	2.6
207.10207	52.4
208.10548	2.8
225.11276	100.0
226.11613	5.6
229.05075	0.9
243.12357	94.1
244.12648	4.7
251.89081	0.9
255.19646	1.6
267.07391	1.5
299.18683	4.0
317.16132	57.0
317.19742	7.4
318.16672	5.0
339.56403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03314	1.0
59.01249	28.6
59.01534	1.8
65.71667	0.9
69.03319	1.1
69.44657	8.3
71.01278	2.2
71.04881	6.5
72.99191	1.3
83.01225	0.8
83.04906	3.0
85.02831	1.6
89.02335	1.2
91.03896	1.7
95.04944	1.3
95.13181	0.8
96.95919	3.7
97.02854	3.8
97.06507	3.2
99.00757	48.2
101.06016	2.4
109.06493	4.0
110.26000	0.8
113.02347	1.1
113.05978	0.9
123.08059	3.0
125.09614	13.1
125.10423	1.2
127.39678	0.8
133.05742	1.6
137.09648	1.5
139.00345	1.1
142.02644	1.1
142.78508	0.8
150.95961	0.9
151.00336	0.8
155.10732	3.3
155.14450	0.8
163.11237	7.8
181.12277	21.6
197.11832	3.1
198.12148	1.6
199.09749	2.9
199.13376	27.5
200.13672	1.5
207.10204	41.5
208.10532	2.5
210.51323	0.8
219.53528	0.9
225.11278	100.0
226.11563	5.5
241.89380	0.9
243.12352	84.8
244.12616	4.7
244.84647	1.0
249.06088	1.3
258.09381	1.6
288.19421	0.9
317.06015	1.4
317.16162	64.2
317.19824	13.3
318.16531	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57938	1.5
77.97755	1.3
79.95609	1.9
83.04894	1.6
87.46626	1.3
96.63337	1.3
96.95904	17.1
97.40565	1.3
101.06026	1.5
106.06508	93.5
107.06847	2.9
110.02373	2.0
116.04961	5.5
122.05970	2.6
132.04425	3.2
134.06006	3.5
138.05507	15.2
140.07094	16.3
140.66861	1.7
142.06535	1.8
144.08192	1.4
145.05008	2.2
150.05522	14.1
152.03435	44.1
153.03795	1.7
157.08894	1.7
166.05003	17.6
167.05800	100.0
168.06142	3.4
170.09656	2.7
184.11285	1.7
186.12778	14.2
194.04527	2.2
200.07103	2.7
201.07906	15.9
213.10257	1.6
215.09451	8.3
225.06581	2.7
226.07460	4.9
227.11780	2.4
228.10262	1.6
230.11824	36.7
231.12152	1.6
237.10396	1.5
239.08296	2.2
240.08823	6.2
255.11391	47.7
256.11758	2.7
273.12430	43.6
274.10632	8.5
299.10358	11.1
317.11301	32.6
317.14359	32.2
317.20081	2.4
318.11493	3.1
318.14856	1.8
337.17496	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	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
66.15815	0.6
67.01759	0.7
69.32850	6.4
71.01253	1.8
72.99139	0.6
73.02847	0.5
83.01267	0.8
85.02804	0.9
91.01746	0.6
94.02817	0.6
96.95907	0.7
96.99615	0.5
98.20569	1.0
104.03391	0.6
104.04963	1.3
109.02853	0.7
111.00750	1.3
111.25796	0.5
118.02846	0.8
121.02885	0.6
122.06027	5.3
123.00789	0.6
123.04404	0.5
124.03957	1.0
124.07550	4.6
125.02318	0.9
131.03598	0.7
136.07591	12.1
139.00259	1.6
140.50175	0.6
150.05528	1.6
151.00288	1.0
162.92381	0.6
164.03430	2.2
165.01791	0.6
168.06537	0.8
181.03764	1.0
185.07123	2.0
196.07599	2.7
197.07117	0.7
198.04179	1.5
200.07138	0.5
200.10829	0.8
203.08238	1.6
207.10388	0.7
211.72581	0.7
212.10768	1.8
225.06659	3.0
226.07373	2.2
227.03429	1.1
227.08218	7.9
227.11757	0.9
230.11775	1.0
237.10281	1.6
239.08229	3.5
240.08963	6.3
241.09370	0.6
243.11349	5.2
255.02876	1.5
255.11383	29.8
256.11649	2.0
258.09784	0.7
273.12448	100.0
274.12778	6.7
284.03015	1.0
287.09229	1.0
299.01727	0.9
317.02887	1.3
317.11359	5.7
317.19553	2.6
318.11624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08630	0.6
55.01732	1.0
56.14193	0.7
57.03297	2.0
59.01253	6.6
67.65841	0.7
69.03316	1.1
71.01231	2.2
71.04886	5.6
71.58080	0.7
73.02808	0.7
74.46807	0.6
83.04872	1.6
91.03859	2.3
97.02838	6.1
97.06464	3.8
99.00763	31.6
101.02297	0.9
106.04091	0.7
109.06468	2.2
110.03652	1.0
123.08006	2.5
125.09618	10.9
127.11177	1.6
127.38454	0.8
135.08015	0.9
139.00246	1.2
142.02583	1.6
145.10092	1.0
151.11119	0.7
153.12740	1.3
154.67923	0.8
155.14297	1.4
159.25159	0.7
163.11223	14.8
181.12283	47.8
182.12592	2.8
197.11801	2.6
198.80623	0.8
198.82391	0.7
199.13350	32.4
200.13614	1.6
207.10233	44.5
208.10533	2.1
214.75279	0.7
225.11296	87.7
226.11591	4.9
243.12363	100.0
244.12630	5.2
317.16086	53.9
317.19315	2.2
318.16428	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	317.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46542	0.5
63.96096	0.6
71.01255	4.7
71.56834	0.8
73.02821	1.0
78.95775	0.8
78.98473	2.5
79.95596	4.7
80.96395	41.0
85.02839	1.7
87.00739	1.7
94.97964	9.1
96.95886	1.3
97.02838	1.2
99.00746	0.6
101.02322	1.7
106.97966	1.4
122.97470	2.6
125.02322	3.0
134.97469	2.7
136.93936	1.4
136.99001	1.1
138.93604	2.5
148.99054	4.5
152.98543	6.1
164.97258	0.9
164.98553	10.6
172.79747	0.5
179.61240	0.5
206.99718	2.4
218.89232	2.5
224.69868	0.6
225.00728	15.7
226.01140	0.6
236.90460	2.0
298.85672	0.7
316.86102	1.4
317.05472	100.0
318.05795	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	317.0667
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
50.14555	0.6
53.79552	0.7
57.03323	17.5
59.01241	2.5
63.02262	3.2
65.00192	7.6
69.91193	4.4
71.01254	1.6
81.03365	1.3
83.01260	9.9
95.01260	6.9
99.00761	2.3
101.02341	0.8
107.01269	6.4
108.02078	1.0
109.02850	1.0
111.00745	2.7
122.03619	2.6
123.00797	4.5
124.01563	17.8
125.02341	100.0
125.09663	1.0
126.02685	2.6
135.78110	0.7
137.02406	0.7
139.00284	2.3
139.03870	0.9
146.03644	1.8
148.01602	1.5
149.02399	4.5
150.03169	1.7
151.00284	14.8
152.01067	27.8
153.01761	2.8
153.07069	0.7
159.04424	1.0
163.03870	0.9
163.11232	1.3
178.99796	10.0
181.12286	2.2
184.79135	0.8
185.06026	1.0
187.03972	1.6
188.04744	3.2
192.04210	8.9
197.11838	0.9
198.12073	0.8
199.13394	7.1
201.05452	0.8
207.06572	7.5
207.10258	2.8
212.04486	0.7
214.06308	1.6
215.03525	1.5
216.04259	2.4
223.89861	0.7
225.11320	4.6
229.08694	1.0
230.05814	3.9
231.06573	7.3
233.04521	1.4
243.12384	3.3
245.08153	1.8
249.07529	1.1
256.03735	1.4
258.05243	3.1
273.07687	10.5
274.04874	3.2
284.03156	0.8
289.07190	60.3
290.07614	2.9
299.05554	1.7
317.06671	38.5
317.10403	1.9
317.16171	5.8
317.19543	1.2
318.07053	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	315.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30365	0.5
56.91828	0.7
58.00453	0.7
59.01249	1.4
71.01249	0.7
95.04901	13.4
103.74372	0.7
125.09599	1.2
127.11177	3.6
135.04407	0.6
140.89764	0.7
141.12784	4.5
143.10739	0.9
146.66737	0.6
149.10876	0.5
155.10669	2.1
157.12218	0.8
159.61250	0.6
164.54100	0.6
171.10191	3.5
171.13855	1.6
201.11278	1.2
201.21416	0.6
238.76028	0.7
246.12383	2.2
278.11331	12.9
279.11688	0.7
279.23203	1.8
292.11154	0.7
297.24326	9.7
312.26154	0.6
313.23849	5.1
315.19366	3.1
315.25388	100.0
316.19565	0.6
316.25732	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	316.1765
Annotation	suberoylcarnitine
Peak:m/z	Relative Intensity
57.03350	0.6
58.02858	3.7
59.01238	2.7
69.54279	5.1
70.02855	1.5
71.01256	24.7
84.04396	0.7
85.06433	0.7
88.03918	100.0
89.04247	1.4
96.95885	0.6
96.99181	0.7
98.19884	1.3
99.08035	5.3
100.07560	5.2
113.09622	5.3
114.01860	1.9
115.00266	25.4
124.91376	0.6
128.10654	0.8
132.02924	16.8
147.05739	0.6
155.14339	3.8
180.13965	0.8
182.15395	3.2
183.13838	0.8
190.14180	0.6
200.16504	30.3
201.13060	1.4
201.14934	24.7
201.16820	1.9
215.09386	0.6
226.14459	0.7
272.18689	18.0
273.03705	0.9
298.16653	2.3
301.03043	6.2
302.03247	0.8
316.05515	2.9
316.17654	71.1
317.14407	1.1
317.17847	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	317.0301
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
51.92263	1.1
57.03313	3.8
57.17249	1.3
59.01245	3.9
60.11270	1.1
63.02269	6.0
63.88589	1.0
65.00198	8.1
69.69561	7.3
69.69987	2.3
71.01257	1.9
71.04903	1.3
72.99187	1.2
81.03297	1.7
83.01252	12.7
83.04887	4.3
85.02816	2.7
93.03320	2.9
95.01241	5.6
96.64462	1.1
96.95942	1.3
99.10890	1.0
101.01587	1.1
101.02299	1.4
101.05949	4.2
107.01279	9.2
108.02066	1.3
109.02815	3.0
117.03290	1.3
119.04937	1.6
121.02828	6.5
125.02335	28.2
131.04897	2.1
133.02824	2.6
135.04445	3.0
137.82182	1.3
145.02843	1.8
145.04993	11.8
147.00761	2.2
151.00287	13.0
155.28688	1.3
159.04398	5.1
161.02379	2.8
161.06064	2.3
163.00259	1.7
163.03920	6.6
164.00986	1.5
169.01414	1.4
171.04425	1.3
173.05975	1.9
175.03929	1.9
177.01900	7.9
183.04359	1.4
185.06010	4.7
187.03963	5.8
201.05484	5.8
203.03404	3.9
205.05019	4.1
207.10118	2.1
213.74550	1.3
221.15987	1.3
225.11243	1.6
227.03477	1.4
229.05000	14.7
231.03011	5.6
243.12285	2.4
245.04369	2.1
255.02872	3.4
273.04050	100.0
273.12390	2.9
274.04352	5.6
317.02933	3.6
317.16049	2.9
317.19666	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
59.01257	3.6
60.28853	1.7
71.57681	2.8
79.05410	7.1
83.04902	4.5
102.45417	1.6
109.02872	1.7
119.08558	19.1
131.08534	5.1
135.04451	2.6
137.09608	4.9
182.07649	1.9
187.14832	2.3
211.28261	1.9
237.16342	2.5
253.19595	8.8
271.20670	21.2
315.19629	100.0
316.19928	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	315.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.3
59.01258	0.3
69.36643	1.4
69.37054	0.3
71.01272	0.6
79.95618	0.2
85.02857	0.4
90.30539	0.2
91.67608	0.2
95.95130	0.2
96.95892	2.2
97.06477	0.4
99.08031	2.2
101.02327	0.3
105.01818	1.8
106.06504	1.1
109.06460	0.3
109.99989	0.4
111.08109	0.2
113.02367	0.3
123.00780	0.2
129.09132	0.9
138.05586	0.2
139.11259	0.3
141.12753	2.4
151.00572	0.2
155.14368	0.7
159.54196	0.2
165.04288	0.3
165.12733	1.2
165.99005	0.7
183.13831	4.6
184.14166	0.3
186.72908	0.2
197.11829	0.3
209.11810	0.2
223.20558	0.4
227.12848	3.2
228.10315	0.4
239.20052	0.5
241.21715	1.1
253.10077	0.2
269.21222	12.0
270.21603	1.1
271.10889	0.5
285.20682	2.0
287.22284	100.0
288.22626	8.8
300.03119	0.2
300.06320	1.1
315.05219	0.4
315.08707	1.1
315.12802	2.6
315.21750	6.6
315.25415	0.4
316.09317	0.2
316.12985	0.2
316.22174	0.5
326.34860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
53.46827	0.4
53.65876	0.3
58.00472	0.5
59.01240	1.1
63.63003	0.3
68.29343	0.3
69.39674	1.6
69.40099	1.7
70.03502	0.3
81.83234	0.3
108.02068	0.4
125.09624	1.3
127.11179	3.0
135.04457	0.6
139.11218	0.4
141.12741	4.1
143.10666	1.9
155.10696	1.4
157.12270	0.4
169.12305	0.5
171.10181	5.0
171.13835	1.4
201.11237	1.8
239.23825	0.4
262.94641	0.4
279.23248	2.7
295.22797	1.4
297.24307	8.2
298.24695	0.8
311.22330	0.7
313.23871	10.0
314.24057	0.8
315.25391	100.0
316.25745	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.66376	0.8
54.04213	0.7
59.01240	0.8
69.85981	3.9
69.95349	0.7
71.01247	2.1
73.02821	1.5
81.03298	0.9
85.02828	2.8
95.01246	2.2
98.20542	0.9
101.02297	1.2
108.02056	100.0
109.02866	24.4
116.08514	0.8
118.84200	0.7
121.02853	1.2
123.00814	1.0
146.72729	0.8
151.03867	1.5
152.01062	61.4
153.01855	27.0
165.01823	1.8
169.23689	0.7
182.42497	0.8
192.27245	0.8
195.02777	0.9
217.00035	0.8
259.42963	0.8
315.07208	44.3
316.07578	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	315.0877
Annotation	Cajanol
Peak:m/z	Relative Intensity
52.88130	0.4
52.98848	0.6
59.01243	1.7
61.49298	0.5
65.00192	1.8
71.58224	0.7
71.58651	0.6
79.95625	0.6
88.71310	0.5
94.00507	0.6
95.01252	2.8
96.32904	0.5
96.95886	18.2
107.01273	2.8
109.02842	2.5
109.89756	0.5
110.00025	2.8
111.00764	3.5
113.47543	0.6
121.02818	3.0
122.00000	0.9
123.00784	2.5
125.02368	1.2
133.02791	0.6
134.03606	1.0
135.00786	1.4
135.04320	0.7
137.02359	1.2
148.01613	0.9
149.99496	38.5
151.00272	21.2
151.01515	0.8
152.01003	0.6
153.01860	0.6
159.04581	0.7
163.00290	5.1
165.01840	16.2
166.02255	0.8
169.01335	2.9
171.04471	0.7
183.02921	30.4
184.03214	1.3
185.06026	3.1
187.03949	1.9
189.05508	1.2
198.03172	0.6
199.03983	1.4
201.05534	1.0
210.01659	0.7
211.03947	2.1
213.05551	4.9
215.03423	1.6
217.04922	0.7
223.04012	2.3
224.04520	0.6
226.06310	1.0
227.03444	1.3
228.04031	0.8
229.04999	9.0
239.03488	2.0
240.04272	2.1
241.05048	3.7
253.05034	0.6
255.03027	1.0
256.03641	1.2
257.04523	10.2
267.03085	1.4
269.04523	1.3
270.05313	3.1
271.06091	5.8
272.06714	0.7
282.05334	1.7
285.04059	16.6
286.04510	1.1
299.05560	8.4
300.03055	1.8
300.06375	52.5
301.06509	3.2
315.08755	100.0
316.09091	8.6
319.85312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03824	0.3
55.29902	0.3
57.03327	1.0
58.95699	0.3
58.96046	0.3
59.01248	3.7
69.03333	4.6
71.01250	1.6
71.04896	1.8
71.57792	0.3
83.01293	0.5
83.04890	0.5
84.56276	0.3
85.02835	0.4
89.02313	1.3
91.03885	2.3
97.02840	0.4
97.06463	0.6
97.47421	0.3
103.00255	2.5
113.02345	0.5
118.54409	0.3
123.08038	0.8
125.09614	1.9
132.04610	0.3
151.00253	0.5
151.11188	2.7
153.01920	0.4
153.12794	2.1
161.09619	3.9
161.10733	0.5
179.10707	13.2
180.11072	0.8
186.67143	0.4
197.11775	100.0
198.12112	5.0
201.27640	0.3
213.14909	0.9
223.09775	1.8
241.10802	14.9
241.14366	1.8
242.11121	1.1
271.10794	0.6
300.02826	0.9
300.06213	0.5
315.05042	1.0
315.08655	0.8
315.14508	26.2
315.17752	1.0
316.14899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
58.00479	3.1
59.01257	1.7
60.30931	1.1
66.32433	1.2
71.01257	1.5
74.26427	1.2
99.08034	16.3
121.02875	2.2
127.07576	2.1
129.09134	17.9
139.11205	3.8
140.11578	3.3
171.10181	2.5
172.10599	4.2
173.10773	4.2
183.13834	33.5
184.14258	1.7
186.12321	1.3
195.13899	2.3
239.13174	1.1
277.21820	2.6
283.02408	1.9
293.21249	2.1
295.21933	21.6
296.22641	1.6
298.04855	3.4
313.07343	3.3
313.23715	100.0
314.06165	1.8
314.24106	8.2
318.14801	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.99273	0.5
59.01244	0.9
71.58298	1.1
108.87791	0.5
113.09631	1.1
121.02840	1.2
141.12660	0.5
143.10721	0.8
151.70151	0.6
169.12259	6.7
210.76587	0.5
211.03915	0.6
224.31390	0.5
254.05804	0.8
255.02924	0.7
271.18994	0.8
277.21777	1.3
283.02603	1.3
295.22809	13.4
296.23108	1.3
298.04721	2.6
311.22345	1.7
313.03705	0.8
313.07242	3.8
313.23856	100.0
314.24200	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03312	0.5
58.22301	0.3
59.01256	0.5
65.69579	0.3
69.44840	0.3
71.01247	2.0
73.02818	0.9
73.27635	0.3
81.03333	1.0
83.01236	0.5
83.59619	0.3
85.02813	1.6
90.40260	0.3
93.03300	0.7
95.01264	1.4
97.02834	0.5
99.00769	0.7
101.02351	0.8
107.04920	0.3
108.02056	100.0
109.02855	29.9
110.03197	0.5
113.02342	0.7
121.02829	1.0
123.00776	1.5
123.04414	0.8
125.02351	0.4
126.53495	0.3
128.03403	0.4
133.02870	0.8
135.00761	0.8
135.04440	0.5
151.03926	1.5
152.01062	55.5
153.01848	23.7
154.02162	0.8
163.03905	1.0
165.01822	1.5
195.02882	0.4
229.77089	0.4
308.71194	0.4
315.07233	43.3
316.07568	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.04158	0.8
55.72188	0.7
58.00463	3.1
59.01231	2.7
69.27769	0.7
70.86556	0.7
89.43058	0.6
91.83334	0.6
93.30209	0.7
97.06458	1.1
98.20567	2.5
99.08036	24.1
100.08388	0.8
101.09590	1.1
121.02785	1.0
127.07519	3.3
129.09105	28.3
130.09482	0.8
137.42133	0.8
155.10844	0.8
161.80725	0.7
173.05975	0.9
183.13828	46.6
184.14159	1.9
195.13821	4.6
207.09807	1.4
230.02100	1.2
255.02942	0.9
271.09760	5.4
277.21750	4.3
283.02380	1.2
288.27878	0.9
295.22781	14.5
296.23251	1.0
298.04794	1.9
311.22287	0.8
313.07404	1.6
313.10950	2.3
313.23849	100.0
314.11166	1.1
314.24164	10.0
317.49173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98904	0.7
53.81536	0.7
57.87363	0.7
58.00465	3.0
58.49921	0.8
58.88169	0.7
59.01242	1.4
65.63762	0.7
67.48582	0.7
69.36845	0.8
97.06475	0.8
98.19696	1.5
99.08036	21.2
121.25379	0.8
127.07512	3.5
129.09106	23.3
171.10233	0.9
179.16742	0.8
183.13829	40.3
184.14209	2.2
195.13834	3.1
245.21266	0.7
277.21786	4.4
295.22775	9.9
312.72702	0.7
312.99097	0.8
313.23840	100.0
314.24109	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	313.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91022	0.5
57.03346	0.7
58.86522	0.4
59.01250	5.2
59.24256	0.4
71.01250	0.9
73.13665	0.5
81.03351	0.5
83.04903	0.7
89.02319	0.6
90.05861	0.4
91.03899	1.8
93.03344	0.4
95.04884	0.5
96.95911	0.5
97.06480	1.8
98.20670	1.0
106.04115	0.9
118.95554	0.5
121.02854	8.1
122.03220	0.5
159.11722	0.8
173.71005	0.4
175.11232	0.5
177.12776	26.7
178.13121	1.0
195.13852	100.0
196.14182	5.7
203.10744	2.1
209.45348	0.5
221.11790	10.5
222.12006	0.5
225.05547	0.8
227.03380	2.8
234.46643	0.5
239.12859	25.5
240.13190	1.9
255.03017	3.5
298.04691	3.5
305.30887	0.5
313.03778	0.8
313.07190	4.0
313.16571	22.5
314.16998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1786
Annotation	E-64c
Peak:m/z	Relative Intensity
53.50008	0.3
59.01239	0.8
68.82745	0.3
69.86909	1.8
77.54443	0.3
79.05399	1.1
83.04926	0.4
93.03339	13.9
94.03677	0.6
95.04881	0.6
98.20480	0.4
100.77979	0.3
101.02364	0.3
106.04123	0.5
107.04896	3.1
109.06454	0.9
113.05975	0.5
119.04913	0.8
120.42951	0.3
121.02818	0.6
121.06470	1.9
122.18067	0.3
126.56326	0.3
138.82449	0.3
145.06493	0.4
145.10144	0.6
147.08080	3.5
147.11722	1.3
148.01338	0.9
149.13290	0.4
153.05219	0.5
161.09595	0.4
175.11206	0.6
187.03697	0.9
192.17377	0.3
193.12314	0.5
199.14824	0.4
201.05228	0.3
201.08926	0.5
203.06909	0.4
213.08917	1.1
215.10498	1.7
217.12065	3.0
225.16368	0.4
227.18004	3.0
229.08397	0.8
231.09940	1.0
233.07838	0.5
235.13077	0.8
243.10078	1.6
243.17503	0.8
245.11540	0.6
245.19095	6.2
246.19585	0.5
247.09453	3.2
249.11046	3.6
259.13025	0.7
272.13974	0.7
277.10638	0.4
279.12091	2.2
283.13229	0.4
285.18103	0.3
291.08337	0.3
293.15271	0.6
295.16745	1.8
297.14719	0.6
298.04831	0.4
298.15497	0.5
311.16284	0.4
313.17856	100.0
314.18204	8.7
314.21082	0.2
314.99649	0.3
329.17288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58368	0.4
59.01250	0.8
69.98055	0.5
71.06905	0.5
71.07237	0.9
76.22591	0.6
80.58044	0.4
88.84624	0.4
93.39602	0.4
119.01278	0.5
121.02903	0.6
132.02063	0.8
133.02864	0.5
143.04915	0.7
151.00220	0.6
155.04959	0.7
161.99539	0.8
171.04404	1.0
174.87611	0.5
176.01086	0.7
183.04405	1.9
187.03883	0.7
199.03966	2.1
200.94972	0.5
211.03914	3.1
224.04802	0.5
227.03468	5.5
239.03415	2.4
255.02971	53.1
256.03299	3.0
261.83218	0.5
267.02905	0.8
268.03714	0.9
269.04541	21.6
270.04810	1.8
280.03564	0.5
281.04587	1.1
282.01678	1.2
283.02481	58.2
284.02786	4.2
295.02499	1.8
297.04041	55.1
298.04797	38.7
299.05118	1.6
312.22629	0.6
313.07178	100.0
314.07510	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22350	0.3
63.77452	0.3
65.00226	0.4
69.80875	0.4
71.38611	0.6
71.38963	0.4
83.64051	0.4
96.11709	0.3
143.05032	0.5
147.00790	1.3
148.01584	1.3
155.04906	0.9
157.02840	0.8
159.04420	0.9
167.04999	0.6
171.04437	6.2
175.00267	2.5
182.03610	0.9
183.04445	6.7
184.04770	0.4
185.02417	1.0
187.04063	0.4
198.03148	0.6
199.03943	9.9
199.39717	0.4
200.04298	0.5
201.05469	0.6
207.06891	0.3
210.03101	0.4
211.03963	13.4
212.04240	0.8
214.02795	0.5
226.02672	0.7
227.03468	23.8
228.03816	1.3
239.03464	4.8
240.03783	1.0
254.02133	1.0
255.02985	57.7
256.03308	3.5
269.04507	0.5
270.05341	5.6
281.00943	0.6
282.01563	0.9
283.02493	46.7
284.02902	2.9
296.03241	0.9
297.03964	1.1
298.04840	100.0
299.02252	0.2
299.05209	7.5
313.07196	78.7
314.07504	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	313.0719
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01284	1.8
69.33221	2.8
69.33647	3.8
71.01270	1.2
75.00806	0.8
82.80437	0.7
88.03996	0.8
98.20529	1.8
107.01367	0.7
109.02873	0.6
135.57822	0.7
145.81741	0.9
147.00853	2.0
148.01596	1.8
155.04980	1.4
159.04489	1.0
159.43724	0.6
162.18056	0.6
167.05009	0.9
171.04420	6.3
175.00345	2.4
182.03738	0.8
183.04449	5.9
192.00583	0.8
198.03288	1.3
199.03941	10.7
201.05606	1.1
211.03955	15.2
211.05849	1.3
212.04443	0.8
221.80125	0.8
226.02722	0.8
227.03450	25.3
228.03729	1.0
238.02655	0.8
239.03482	4.3
254.02145	1.9
255.02980	59.2
256.03372	3.4
256.89673	0.8
269.04340	0.8
270.05276	6.2
282.01675	1.0
283.02487	51.4
284.02713	3.2
297.03906	0.9
298.04834	100.0
299.05130	6.5
304.40829	0.7
313.07178	80.5
314.07468	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.3
71.06380	0.4
71.06718	0.2
72.27679	0.2
77.03851	0.3
79.99716	0.2
85.18394	0.2
88.63840	0.2
91.52534	0.2
93.03355	0.3
105.91764	0.2
121.02848	100.0
122.03179	3.0
130.99852	0.2
180.05730	1.1
181.06523	4.7
182.06865	0.4
211.04016	0.3
225.05511	6.3
226.05986	0.3
255.02933	0.9
269.08316	0.3
279.05322	0.2
283.02460	0.5
298.04868	1.2
312.22626	0.2
313.07178	12.2
313.23666	0.6
314.07526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63959	0.5
59.01246	0.4
65.00201	0.6
69.25157	5.4
75.87579	0.4
98.20554	1.1
109.26597	0.5
111.65850	0.5
118.23595	0.5
121.02858	1.1
132.24739	0.5
139.05450	1.4
143.04903	0.5
145.02798	0.4
149.99521	0.5
161.02376	0.8
167.04948	7.1
169.02881	3.1
171.04437	0.6
173.99422	0.5
183.04440	5.9
185.02409	1.1
187.03870	2.5
195.04424	1.1
195.13844	1.0
199.03925	0.9
202.06314	1.8
211.03954	72.7
212.04248	4.7
213.01897	1.8
215.03467	1.4
225.05530	1.1
226.06311	50.8
227.03452	5.6
227.06615	3.9
228.03951	0.7
239.03439	6.3
241.01411	0.6
252.70786	0.5
254.05890	2.7
255.02983	18.0
256.03384	1.0
269.04559	0.8
270.05344	9.5
271.05899	0.7
282.01706	0.5
283.02481	25.3
284.02866	1.2
298.04822	62.7
299.05206	5.7
313.07184	100.0
314.07501	8.6
333.80838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22441	0.5
65.00196	3.5
68.42526	0.5
68.99714	0.8
69.28140	5.6
94.00543	1.4
96.99211	0.8
98.20572	1.2
108.02110	1.8
109.99958	3.7
119.04982	0.6
119.06968	0.5
121.02876	1.8
122.00014	0.9
123.00777	0.9
123.68068	0.5
135.00774	8.0
137.02357	0.8
143.04962	1.4
147.04558	0.6
149.99495	9.1
151.00288	0.8
157.06514	1.0
163.00238	0.6
165.01898	1.3
169.06493	0.8
171.04434	6.4
172.05042	0.9
183.02962	1.6
185.05986	3.8
197.06027	0.8
198.03212	1.0
199.03938	3.2
200.04741	1.8
201.05545	0.9
206.58687	0.5
213.05530	12.9
214.06270	3.7
215.03435	0.5
225.05473	0.9
226.02565	0.7
227.03445	1.5
239.03716	0.5
240.04359	0.7
241.05019	9.1
242.05809	10.8
242.08250	0.7
243.06122	0.9
253.05078	0.6
255.02960	0.6
269.04581	9.6
270.02121	0.7
270.05276	4.3
274.04803	1.4
283.02426	1.2
285.04010	2.1
297.04050	2.3
298.04831	85.8
299.05124	5.4
313.07178	100.0
314.04230	0.6
314.07535	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
59.41911	0.2
63.06507	0.2
64.29722	0.2
65.00214	0.7
93.03325	2.1
94.00526	0.2
97.80389	0.2
101.92571	0.2
105.06994	0.2
110.00001	0.2
132.02107	1.0
133.02919	0.3
134.00072	0.3
141.03339	1.3
143.04904	1.8
155.04962	2.0
157.02885	0.2
159.04424	0.5
160.98679	2.0
161.99487	1.8
167.04976	1.1
167.14316	0.2
171.04465	1.5
173.06009	0.3
176.68233	0.3
179.82724	0.2
182.03703	0.4
183.04460	2.5
186.03224	0.3
190.99759	0.3
195.04427	1.2
195.13799	0.3
198.03197	0.8
199.03946	5.3
200.04298	0.3
209.02420	0.4
210.03099	0.3
211.03952	6.6
212.04321	0.4
213.01903	0.3
214.02536	0.6
214.06290	0.2
226.02728	0.9
227.03452	16.1
228.03819	1.1
229.01418	0.3
237.01839	2.1
239.03468	9.6
240.03838	0.8
242.02048	0.6
242.05882	1.1
251.16556	0.4
253.01503	0.5
254.02213	1.2
254.05750	1.5
255.02962	17.6
256.03375	1.2
265.01535	0.3
269.00919	0.3
269.04501	0.8
269.17563	2.1
270.01663	1.3
282.01636	1.9
283.02481	34.6
284.02798	2.6
285.03967	1.2
297.03961	2.5
298.04819	100.0
299.05164	6.5
305.64182	0.3
313.03812	2.7
313.07162	53.0
314.03934	0.6
314.07437	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
62.23661	0.3
65.00192	0.4
70.89075	1.2
74.33405	0.4
93.02835	0.3
93.03314	1.8
98.73849	0.3
99.08028	0.4
113.70051	0.3
132.02057	1.0
137.07257	0.4
141.03384	1.2
143.04955	2.5
146.82355	0.3
154.04128	0.4
155.04976	2.3
160.98763	2.1
161.99472	2.0
167.04973	2.3
171.04428	1.7
173.06070	0.4
182.03659	0.6
183.04425	3.3
183.13808	0.7
187.03952	0.4
189.99059	0.5
193.56764	0.4
195.04433	0.9
199.03908	5.4
209.02429	0.4
211.03958	6.7
226.02605	0.4
227.03452	17.4
228.03761	0.8
237.01923	2.2
239.03456	8.7
240.03801	0.7
242.05745	1.0
254.02196	0.9
254.05835	1.6
255.02974	18.7
256.03284	1.7
269.04761	0.7
282.01819	2.3
283.02475	36.8
284.02869	2.4
297.03989	2.9
298.04822	100.0
299.05142	7.3
312.22650	0.6
313.07178	55.6
313.23669	1.5
314.07559	4.7
319.59970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
59.01703	0.5
70.87147	1.2
70.87482	0.9
71.01251	0.6
108.02071	0.7
121.02849	0.9
132.02037	0.9
142.04129	0.7
145.02885	1.1
146.03708	1.2
154.04143	1.2
158.03629	2.9
160.01625	2.9
161.02379	0.8
164.01079	2.0
166.18481	0.5
169.02859	0.7
170.03662	3.0
172.01462	0.6
174.03157	4.9
176.01103	1.5
177.01817	1.5
185.02341	3.0
186.03154	2.7
187.00340	1.1
188.01021	2.9
189.01886	0.7
190.02646	1.0
197.02342	0.8
198.03166	14.7
199.03513	1.4
200.01096	1.3
201.01862	4.2
202.02672	6.9
202.99786	1.6
203.03450	0.8
204.00447	0.6
211.03906	0.8
213.01895	5.9
214.02670	20.5
215.02980	0.9
218.02185	3.0
226.02679	9.6
226.06210	0.5
227.03348	1.1
229.01414	2.2
230.02171	1.3
231.99976	0.8
240.77440	0.5
241.01265	1.1
242.02184	24.6
243.02496	1.0
245.00877	1.5
252.00792	1.0
253.01375	6.6
254.01979	0.8
255.02910	1.1
260.42783	0.6
264.37195	0.6
269.00870	4.7
270.01685	22.0
271.02142	2.1
274.01279	2.5
281.00934	16.3
282.01303	1.2
283.02548	0.6
285.04044	17.7
286.04480	1.1
297.00436	7.4
298.01202	41.7
298.04443	1.8
299.01517	3.1
313.03564	100.0
313.23740	1.1
314.03928	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	313.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
63.02283	0.9
65.00195	7.3
66.38462	0.4
69.60483	3.5
72.93200	0.4
83.01263	10.3
96.95924	0.7
98.20465	0.7
107.01267	1.8
109.02844	1.8
121.02846	2.3
123.04405	0.6
124.92440	0.4
131.04906	0.8
131.61258	0.4
132.02066	0.7
133.02863	7.5
134.03230	0.4
143.04922	1.2
145.02859	0.7
147.00780	0.6
147.04410	0.5
148.01543	0.8
149.02350	3.2
150.46274	0.4
151.00291	1.5
151.03900	1.0
155.04939	0.6
155.09302	0.4
157.02846	0.7
159.04483	0.5
161.02332	5.1
167.05005	0.6
169.06529	0.6
171.04428	1.7
173.02344	0.6
173.06017	2.5
174.03094	0.8
175.03928	14.3
176.04251	0.6
177.01843	1.3
177.12817	0.7
179.03458	0.5
185.02350	0.7
185.05998	0.9
187.03830	0.8
195.04433	0.6
195.13867	2.6
197.06064	1.2
198.03145	2.2
199.03963	5.5
201.01852	2.7
201.05539	0.8
203.03455	6.2
204.03633	0.5
211.03969	1.6
212.04657	0.8
213.05501	1.7
214.02614	0.6
215.03442	1.6
216.04192	2.6
217.05005	15.4
218.05312	0.7
223.03900	0.8
226.06288	0.8
227.03557	4.1
227.65277	0.5
229.01384	1.3
229.04997	0.7
230.57663	0.4
239.03523	0.7
239.12968	0.6
240.04266	1.4
241.05016	2.4
243.03006	1.6
245.04503	15.3
255.02924	1.2
256.03769	0.6
257.04507	1.8
269.04675	1.3
271.02417	0.7
284.03223	1.9
285.04065	12.1
286.04358	1.0
313.03546	100.0
313.23941	0.7
314.03897	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	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03322	2.2
59.01254	1.0
67.03268	0.9
68.19362	1.0
70.85953	1.2
70.86281	2.0
73.13448	0.9
76.67995	0.9
97.02844	0.9
100.55608	1.0
113.09593	1.4
121.10101	3.6
125.09602	4.3
127.11202	5.4
133.52609	1.0
137.09695	2.1
139.11188	19.2
140.11542	1.2
151.11217	1.6
153.09047	1.6
155.10684	3.6
165.09090	1.7
167.10667	1.9
171.10182	87.6
172.10526	4.0
183.10197	6.7
185.11772	17.6
193.12259	3.7
197.11937	1.1
201.11269	11.9
203.04346	1.0
211.13365	6.2
217.54419	1.2
275.20178	6.5
293.21222	38.7
294.21466	3.4
311.22284	100.0
312.22629	7.8
320.82837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03318	1.3
59.01259	1.1
64.63919	0.9
66.38892	0.9
70.63249	1.4
70.63579	1.9
74.18060	0.8
74.54137	0.8
74.91981	0.9
99.08028	1.6
109.86361	0.8
113.09612	3.6
119.08558	0.8
121.10111	1.9
121.65310	0.7
125.09615	3.1
127.11210	3.9
129.09132	3.6
137.09650	1.5
139.11194	17.8
153.12769	1.4
155.10699	1.6
165.12720	1.2
167.10605	1.0
169.12384	0.8
171.10184	52.7
172.10559	2.7
181.12314	2.9
183.10193	2.5
185.11774	6.4
187.89641	0.8
193.12383	1.8
197.11772	2.7
199.13307	1.0
201.11267	7.8
211.13354	8.8
249.22009	1.2
275.20120	4.3
293.21237	38.9
294.21542	3.1
311.22260	100.0
312.22549	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
86.15852	1.0
97.06433	0.9
98.20558	1.8
101.88018	0.8
113.09570	1.3
115.07516	1.4
118.49536	0.8
167.14288	4.1
175.07143	0.9
183.13789	1.9
183.73683	0.9
195.13846	11.7
196.14209	1.1
213.14874	2.0
293.21207	8.2
311.22290	100.0
312.22632	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.36698	0.5
57.03315	1.5
59.01247	1.8
59.43084	0.4
60.14737	0.4
83.04910	0.8
98.19820	0.9
101.64724	0.4
106.63460	0.4
111.08040	0.5
119.51370	0.4
123.08060	0.7
125.43199	0.4
127.11263	0.4
132.75493	0.4
138.98721	0.4
141.09099	0.7
151.11198	0.6
153.12755	0.8
155.10681	1.1
157.12260	2.0
169.12256	2.2
169.15926	1.5
171.10300	0.5
183.13826	0.5
187.03918	0.4
197.11777	2.8
215.31805	0.4
237.14960	1.9
239.03467	1.0
263.20206	1.6
267.02994	1.0
267.23328	0.4
268.03806	3.9
269.04205	0.8
275.20172	2.7
293.21265	7.7
294.21591	0.5
296.03296	9.3
297.03503	1.4
309.20663	0.7
311.05627	6.2
311.22287	100.0
312.06000	0.9
312.22617	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.0
58.00455	1.2
59.01244	3.1
69.56339	2.3
69.56742	6.9
97.06509	1.2
98.19744	1.0
99.08028	6.2
111.08051	1.4
113.09597	6.1
129.09103	17.7
145.73926	0.9
153.12752	1.4
167.10658	1.1
169.12253	2.7
181.12271	12.9
183.13824	3.3
193.12253	4.3
194.33859	1.0
197.11772	14.2
198.11824	0.9
199.13330	6.0
201.11337	1.1
211.13347	36.4
212.13692	1.8
265.21658	1.2
275.20132	3.2
293.21240	24.6
294.21506	2.3
311.22278	100.0
312.22617	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03316	2.4
59.01256	1.7
83.04890	1.5
92.50056	1.7
99.08003	1.4
108.14320	1.5
113.09595	2.8
125.09581	4.2
125.91964	1.9
127.11150	4.3
139.11214	10.9
155.10699	2.9
171.10185	49.0
172.10597	2.2
181.12251	2.4
183.10199	3.4
185.11816	8.4
188.90082	1.4
193.12294	1.8
197.11784	7.0
199.13356	3.2
201.11308	9.5
211.13307	16.2
275.20026	4.4
293.21240	24.8
294.21341	2.2
303.70880	1.7
311.22272	100.0
312.22653	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85545	0.7
57.03332	7.7
57.37201	0.8
58.00457	0.9
58.02831	1.5
59.01250	3.4
69.50448	0.7
85.02820	2.6
87.04395	21.8
91.59373	0.9
97.06481	0.9
129.09138	1.4
142.48151	0.8
171.10197	2.6
193.12364	1.0
197.11725	1.7
209.15652	1.3
211.13408	4.0
223.16998	40.5
224.17348	3.3
225.95982	0.9
235.17004	6.8
253.18068	2.1
267.20502	1.0
268.03867	1.3
275.20102	5.4
293.21255	12.7
296.03378	2.9
302.02911	0.8
311.05643	3.4
311.22281	100.0
312.22641	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82901	0.7
57.03325	1.3
58.00474	10.1
59.01260	1.3
64.39545	0.8
73.02827	2.1
89.58331	0.7
96.78983	0.7
98.20505	1.6
99.59744	0.7
109.06489	1.7
121.10105	1.2
125.09589	4.3
127.07551	5.6
127.11153	5.7
130.46764	0.8
137.09641	1.2
139.11182	1.3
155.10664	2.5
165.09119	1.8
171.10214	7.1
183.13835	22.1
195.13896	2.0
199.09625	1.5
201.11270	49.1
202.11557	2.7
211.13481	0.9
213.14943	6.3
223.13281	2.4
241.14415	6.1
275.20215	5.7
293.21225	9.0
311.22281	100.0
312.22623	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83884	0.8
59.01252	100.0
59.72463	0.8
68.41022	0.8
69.93690	2.2
69.94103	1.9
71.01259	5.5
73.02798	0.8
73.39520	0.8
73.77406	0.9
75.00745	1.4
76.24905	0.8
76.58150	0.7
83.01260	1.0
83.82664	0.8
85.02835	2.9
87.00764	0.9
99.00748	1.3
101.02337	3.8
113.02361	2.6
134.03616	1.1
159.94778	0.7
161.04497	3.3
165.62498	0.8
193.05017	1.7
269.10278	1.7
281.09183	0.9
311.10754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01262	0.3
71.57113	0.1
71.57535	0.2
79.95602	0.2
83.32278	0.1
84.25611	0.1
119.04918	0.2
133.06483	2.9
149.09624	100.0
150.09956	4.4
183.01135	8.8
184.01884	0.7
197.02734	0.5
207.38857	0.1
216.00935	0.5
249.22183	0.3
269.21228	0.2
284.11682	0.1
296.03247	0.4
298.61548	0.2
304.55966	0.2
311.16858	14.4
311.20203	51.5
312.17151	1.5
312.20563	5.1
316.02585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03318	2.3
59.01256	1.9
62.51105	1.6
71.01270	1.6
71.33923	3.4
81.03297	1.4
81.16418	1.7
99.08041	4.1
113.09618	4.3
129.09113	6.8
139.11165	3.1
142.73030	1.4
151.11230	1.6
152.78787	1.6
169.12251	2.9
171.10228	10.2
181.12221	5.1
193.12267	6.5
197.11818	13.5
199.13335	5.5
211.13324	23.8
275.20267	2.5
293.21246	30.3
294.21423	2.4
311.22272	100.0
312.22757	9.0
317.97614	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	311.0562
Annotation	Acicerone
Peak:m/z	Relative Intensity
52.89182	0.3
55.53491	0.3
58.21167	0.4
60.01279	0.3
69.94625	1.9
91.01757	0.4
117.46745	0.4
119.27331	0.3
123.00775	1.0
126.91125	0.3
144.93027	0.4
147.00879	1.7
161.02408	0.5
167.04976	1.7
169.02953	0.4
171.04364	0.6
183.04414	2.2
184.05186	1.3
187.03905	0.5
195.04430	4.2
196.05249	2.1
198.03171	0.4
210.03188	0.7
211.03934	4.6
212.04689	2.0
215.03467	4.0
223.03947	1.4
224.04759	4.1
238.02879	0.5
239.00996	0.6
239.03470	12.4
240.04214	5.8
267.02975	8.6
268.03763	40.7
269.04187	2.4
295.02496	2.3
296.03262	100.0
297.03638	7.2
311.05615	69.9
312.06003	6.2
328.77524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01291	1.6
71.01274	0.6
71.35743	0.7
74.20409	0.5
79.74984	0.4
89.35421	0.5
96.95914	0.5
118.97163	0.4
121.02883	0.5
123.00799	0.8
124.12008	0.4
132.02199	0.5
147.00801	1.7
167.04988	1.3
171.04506	0.6
183.04485	1.8
184.05153	0.6
187.04056	1.2
195.04483	3.8
196.05176	0.8
201.80547	0.4
211.03979	4.2
212.04643	1.6
215.03459	3.4
223.03978	1.2
224.04738	3.8
237.01956	0.5
239.03465	11.5
239.05696	0.7
240.04233	4.2
267.02957	6.6
268.03772	38.3
269.04135	2.7
283.05984	0.6
295.02612	2.4
295.05655	0.5
296.03268	100.0
297.03601	7.5
298.30450	0.5
311.05618	71.7
311.29724	0.6
312.05951	5.4
328.26654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68976	0.5
56.57123	0.5
60.61375	0.5
68.53725	0.6
69.42352	4.1
72.49037	0.5
74.09930	0.6
75.85277	0.4
123.00752	0.6
127.55927	0.5
130.07372	0.5
144.94696	0.6
147.00790	1.0
153.26709	0.5
167.04959	1.1
183.04446	1.7
184.05159	0.9
187.03992	1.2
195.04427	4.3
196.05118	1.1
211.03996	4.6
212.04700	1.7
215.03465	2.9
223.03992	1.2
224.04759	3.0
239.03448	11.4
240.04175	4.9
254.77090	0.5
267.02988	6.6
268.03760	33.7
269.04083	3.3
269.64874	0.5
295.02576	2.6
296.03259	100.0
297.03577	8.4
311.05615	96.6
311.13071	0.8
312.05969	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.4
59.01237	5.7
59.25430	1.4
60.71529	1.6
64.67472	1.4
69.31247	12.9
71.01250	2.7
79.95603	9.3
80.75746	1.3
80.96353	2.1
81.03344	2.6
82.54297	1.3
83.04888	3.9
86.92753	1.4
95.04888	3.1
95.95128	1.7
96.95895	100.0
97.06474	7.7
99.68594	1.4
104.19324	1.6
111.08039	7.0
122.97470	2.5
131.94830	1.4
136.21407	1.4
138.96951	1.6
145.04140	1.6
151.03891	3.3
151.07529	5.2
152.08311	5.3
163.11189	1.7
165.12767	78.4
166.13103	3.5
171.10240	2.5
183.13834	33.0
195.13882	3.9
197.11765	4.6
209.11874	7.0
209.15382	8.7
211.13138	1.7
265.18042	3.5
267.19678	6.4
291.19708	11.7
291.22903	2.1
309.17334	98.8
309.20718	18.8
309.24368	12.3
310.17825	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39240	0.7
57.03313	3.1
59.01261	4.5
61.61375	0.7
65.03830	1.5
69.03323	3.7
69.27345	4.2
69.27769	3.5
71.01244	1.9
71.04897	1.2
83.04895	2.2
84.46697	0.7
93.07017	1.4
97.02821	1.2
111.08032	1.6
125.09592	0.9
137.09619	1.3
151.11203	1.1
153.12714	1.7
167.14363	1.7
169.12271	4.4
171.10204	3.3
185.11775	1.3
197.11772	53.6
198.12135	3.2
209.15649	1.1
211.13312	3.4
216.74652	0.8
223.13321	1.0
229.19514	4.9
247.20587	0.9
251.16707	1.1
261.18582	7.0
263.20154	1.0
265.18237	0.8
273.18619	13.5
274.19055	1.1
279.19647	2.6
285.09772	0.9
291.16373	1.0
291.19666	21.3
292.19998	2.5
309.10388	2.2
309.20706	100.0
310.21091	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01250	1.7
69.03326	0.6
71.01241	1.0
94.26080	0.5
95.04907	1.0
97.06476	3.4
98.19705	0.9
106.76442	0.6
113.09622	4.0
115.07518	2.2
125.05975	1.2
125.09572	0.6
126.06757	1.4
139.07542	0.6
139.11159	1.4
141.09103	3.3
151.11194	1.1
152.08325	0.6
153.12723	0.7
163.11159	0.5
165.12772	5.6
167.10715	0.9
167.14330	3.0
176.11784	0.7
179.10490	0.6
179.14233	0.7
181.12270	5.5
183.13834	1.6
193.12285	3.1
193.15959	0.9
195.13893	2.3
209.11499	0.6
211.13324	5.5
213.14873	1.6
221.15425	2.1
229.14447	0.8
232.06171	0.5
240.13641	2.5
241.14346	1.1
245.18874	0.7
247.20662	5.5
252.02733	0.6
263.20081	0.8
265.21750	0.8
273.18622	4.0
281.21173	2.5
291.19669	55.2
292.19992	5.5
309.20706	100.0
310.21039	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.5
58.85569	2.1
68.53047	2.5
71.04909	5.2
71.17905	4.3
71.18265	3.5
80.02557	15.3
81.03315	4.6
83.04902	33.9
84.02041	11.4
84.21062	2.2
97.06474	5.2
99.08056	10.9
109.06462	5.2
111.08025	2.8
111.08967	2.4
113.09606	2.6
115.07530	3.6
119.08572	2.5
123.04431	4.2
123.08054	2.4
125.09592	4.7
127.11189	5.5
135.08060	2.7
137.09624	53.2
139.11176	7.9
151.07516	3.0
151.11174	5.4
153.09119	7.8
154.09877	3.0
155.10689	51.3
156.11017	3.6
163.11154	2.1
167.10675	4.3
169.12276	2.4
171.10197	46.4
172.10555	2.9
183.60631	2.2
193.12312	26.0
197.11635	3.1
209.11830	10.9
209.15401	4.5
211.13326	5.8
247.20677	7.6
263.20172	5.7
265.21738	11.0
281.21185	3.7
291.19678	100.0
292.20041	10.2
306.92178	2.4
309.17404	4.0
309.20697	91.0
310.21008	7.2
320.13074	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.5
69.03312	1.1
70.02914	6.4
71.04856	1.2
71.46384	1.0
71.90427	1.3
72.21625	1.1
78.56575	1.2
83.04846	1.9
83.91637	1.2
89.77657	1.3
109.06458	1.7
111.08039	37.7
111.46771	1.3
126.07855	1.2
127.07488	1.9
153.12773	2.2
169.12256	9.0
175.51982	1.2
181.12299	2.6
183.13718	1.9
197.11758	100.0
198.12164	6.0
199.13297	4.2
209.15356	2.4
211.13370	9.9
221.77682	1.3
223.17026	1.8
227.12814	3.8
247.20627	1.8
251.16438	2.2
257.29175	1.2
263.20071	4.5
265.18179	2.4
273.18567	2.1
291.19678	20.3
292.20123	1.9
306.23386	1.2
309.20715	31.4
310.20776	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	2.3
69.85002	6.6
83.04906	1.4
98.19812	1.5
104.24633	1.1
109.06459	1.4
111.08039	31.8
127.07536	2.2
151.11189	2.5
153.12752	2.9
169.12231	8.3
181.12245	2.6
193.12289	1.9
197.11765	100.0
198.12071	6.3
199.13338	4.2
211.13332	11.9
227.12849	3.4
229.42159	1.3
263.20224	8.5
265.18079	2.8
273.18710	1.4
277.49887	1.2
291.19641	19.8
292.19980	1.6
309.20679	30.1
310.21017	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80765	1.9
54.62447	1.6
55.49234	1.7
57.03305	2.3
58.16618	1.8
59.01250	3.7
69.03333	3.5
69.92945	10.1
71.04897	18.9
81.03331	2.9
83.04877	2.0
89.49759	2.0
97.02807	4.2
97.06461	6.6
98.19842	2.6
111.08022	6.5
121.10127	11.0
125.09599	6.8
135.07977	2.0
137.09647	26.2
140.77448	1.8
150.84991	1.9
152.70851	1.7
162.12962	2.0
165.12842	3.1
171.10181	39.4
185.11769	13.8
197.11784	12.4
209.11809	3.8
211.13342	4.4
219.42070	1.8
237.14893	4.1
247.20679	5.4
251.16548	35.5
273.18512	2.3
291.19675	100.0
292.19998	8.4
293.37115	2.1
293.94797	2.0
309.10300	2.3
309.20703	87.7
310.20941	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.18270	2.2
59.01255	3.4
67.01772	2.5
71.06841	6.0
90.46663	2.3
111.08056	3.7
121.10105	8.8
125.09597	7.4
137.09602	7.1
139.59372	2.3
165.12747	2.6
171.10167	9.3
185.11716	9.8
197.11731	9.6
197.94853	2.9
211.13361	69.9
211.15388	3.3
212.13734	4.1
225.14906	2.6
251.16524	5.5
273.18518	2.7
278.46216	2.5
291.19650	100.0
292.20004	10.4
309.20731	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.6
59.01257	2.4
64.07551	1.1
69.03318	3.3
81.03368	1.8
83.04883	1.4
84.24957	1.2
85.02830	1.9
97.02834	10.4
97.06529	2.0
99.00742	4.4
111.08044	6.0
113.09576	2.1
119.08582	3.4
123.08090	2.0
125.09611	4.3
127.11176	1.4
135.52470	1.6
137.09645	8.6
151.03938	9.8
151.07565	15.4
152.08354	18.6
163.11191	4.9
165.12822	6.5
167.66557	1.3
171.10196	20.9
172.10632	1.6
179.14339	3.0
181.12294	2.5
181.68202	1.3
183.13965	1.6
185.11736	4.5
193.08582	2.7
193.15942	2.6
195.10266	2.3
195.13771	1.7
197.11739	10.0
208.11061	2.3
209.11839	2.3
209.13614	2.0
209.15419	26.6
210.15796	1.6
211.13461	2.8
213.11259	2.0
217.79913	1.3
223.13309	3.2
247.20702	10.4
252.09955	4.9
265.18054	5.9
273.18585	5.5
291.19675	100.0
292.19882	10.1
309.17056	33.5
309.20700	82.9
310.17300	4.0
310.21066	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96381	1.1
59.01254	2.0
69.03324	6.7
71.04842	1.0
81.03348	1.0
83.04895	2.1
97.02827	22.9
97.06461	2.1
97.45157	1.0
99.00745	1.0
107.39262	1.2
109.06492	1.1
119.08524	1.8
125.09613	3.5
127.11168	1.1
137.09586	5.0
163.11197	4.7
165.12735	10.4
166.09923	1.6
166.13129	1.0
171.10170	12.3
179.14357	2.9
181.12263	4.4
183.13805	1.8
184.21486	1.1
185.11734	1.2
193.12234	3.2
193.15910	2.3
207.10170	1.2
209.11777	6.9
209.15359	1.5
211.13281	2.3
223.13316	2.0
227.12874	7.8
247.20674	10.9
273.18637	5.0
291.19662	100.0
292.20090	7.5
309.17413	1.8
309.20685	47.8
310.21024	4.6
324.89566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12591	2.0
56.18867	1.7
58.02872	2.6
59.01245	7.3
61.48263	2.4
63.62742	2.1
69.24056	25.2
69.24352	2.1
71.01250	26.4
74.02357	5.6
76.69147	1.7
80.96391	4.5
84.04408	3.3
87.05511	2.3
88.03920	4.0
91.91353	1.9
96.95876	3.6
98.95468	3.9
99.05509	3.8
108.02068	4.6
114.01865	43.7
115.00259	36.2
117.03381	2.6
123.04385	5.2
128.03418	7.9
132.02950	18.1
134.03632	100.0
135.04051	3.4
136.05194	2.7
143.04514	12.4
149.05989	70.3
152.70676	2.0
160.01534	6.8
162.03117	5.8
175.03932	9.4
176.07095	6.7
177.05507	5.6
177.07857	3.6
179.04468	2.7
192.06610	39.2
193.05002	36.9
204.06616	2.5
246.07732	12.3
254.07860	3.1
261.94077	2.8
264.08969	12.2
264.11414	3.5
308.07776	82.2
309.08029	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	309.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51569	7.2
58.02848	24.7
59.01255	47.0
70.02858	18.4
71.01261	13.1
71.57469	6.3
71.57917	9.1
73.57834	6.1
80.96422	16.7
87.05535	16.8
96.00822	25.4
96.04417	8.6
96.95895	28.1
97.06474	98.4
98.95467	46.2
113.07101	14.0
114.01881	21.1
127.03868	6.9
131.04533	22.2
150.05455	9.4
166.27213	7.1
167.11862	38.6
188.04779	8.5
188.66783	6.9
206.15431	100.0
222.18658	16.4
247.18222	13.8
291.16937	8.8
309.07214	9.1
309.10162	8.2
309.18048	40.7
321.64035	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.5
58.00485	2.1
59.01266	2.9
69.03319	6.3
83.04874	2.5
83.62316	1.8
98.20579	4.0
107.08594	2.3
111.08041	7.9
119.08570	14.3
125.09618	5.6
132.51448	1.9
137.09639	30.8
155.10699	6.3
171.10194	100.0
172.10500	5.0
183.10254	5.6
185.11754	21.2
197.11769	13.3
200.44882	2.4
201.11229	6.6
204.36928	2.2
209.15509	3.9
211.13362	4.4
213.11266	9.0
229.19479	2.1
230.16983	2.1
265.18137	2.6
273.18524	7.5
291.19681	34.6
309.20676	33.3
310.21152	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.1
57.03314	2.0
59.01255	2.3
69.28186	10.2
69.28609	9.5
71.04909	1.9
77.75572	1.9
81.03332	2.1
83.01253	10.5
83.04902	4.3
89.27020	1.7
95.04894	1.8
97.06454	4.6
111.08033	2.1
123.04461	3.1
123.08031	5.0
125.05959	3.3
125.09604	11.8
126.95644	2.0
137.09656	3.2
139.11188	8.4
140.21066	1.8
151.11223	2.0
156.72125	1.6
163.11229	8.9
165.12756	14.7
167.10724	5.5
181.12292	5.3
191.10712	3.0
193.15990	4.3
197.11783	3.6
209.11774	48.6
210.12086	4.0
247.20709	14.9
265.21729	5.0
273.18567	5.6
274.89249	1.6
291.19678	100.0
292.19983	11.4
309.17294	2.2
309.20633	34.9
310.21143	5.2
315.64355	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.3
59.01253	4.5
65.57006	0.8
69.03307	1.3
69.37214	0.9
70.35199	3.0
71.01273	1.0
71.04896	18.5
82.40588	0.9
83.04882	1.9
95.04917	1.2
97.06465	7.2
99.07997	0.9
107.04923	1.9
111.08032	2.8
119.08551	3.3
121.10135	10.0
123.08074	2.3
125.09629	9.9
135.08044	1.4
137.09628	21.2
139.11169	1.1
141.12749	2.4
165.12682	1.9
171.10188	45.4
171.11656	2.2
172.10544	2.2
181.12285	2.2
183.13762	1.9
185.11774	13.6
193.12376	1.2
194.12848	1.0
197.11787	6.8
207.13814	1.6
209.11751	2.2
209.15349	1.8
211.13383	3.1
219.13889	2.7
223.13181	0.9
235.16942	3.0
237.15028	2.8
243.66299	1.0
247.16910	1.4
247.20648	2.4
247.86511	1.1
251.16507	44.1
252.16887	2.4
273.18536	2.2
291.19662	100.0
292.20001	8.6
306.48425	1.0
309.10312	3.4
309.20718	70.0
310.21198	5.3
312.79379	1.3
312.83069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35326	2.1
54.65736	2.1
57.03331	14.9
59.01247	9.8
62.23146	2.0
69.03314	3.8
69.49005	2.9
70.09883	9.3
71.01251	7.4
71.04879	3.2
80.02541	3.4
81.03346	3.1
83.04903	4.9
87.62807	2.4
92.73408	2.1
95.04888	5.4
97.06469	23.8
98.19942	3.0
109.06502	4.9
111.07425	2.0
111.08067	17.4
125.09641	8.2
127.11130	3.7
137.09651	3.6
149.09593	6.8
151.11197	27.8
153.09117	4.2
153.12764	4.3
155.10681	15.6
159.08118	2.3
163.11179	7.3
165.12759	30.2
167.10713	7.2
168.11482	3.6
169.12262	6.2
171.10226	2.8
175.09045	2.3
177.12807	6.4
179.10674	7.2
181.12291	34.7
185.11734	2.6
191.10721	5.9
191.14293	11.5
195.10237	3.4
197.11760	3.9
205.12341	5.3
208.82924	2.2
209.11784	44.7
211.13348	12.6
235.20613	3.4
239.09236	5.0
245.19067	46.7
255.00444	2.3
263.20151	15.0
271.17123	4.6
279.19748	4.0
289.18100	60.3
289.21106	4.5
290.18582	6.2
301.74573	2.3
307.15656	5.3
307.19165	100.0
307.22635	5.0
308.19473	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
55.92996	3.6
56.16388	3.4
57.03328	8.4
57.32540	3.3
59.01242	11.5
60.38926	3.0
61.53120	2.9
69.03317	5.2
71.01254	9.6
73.02842	2.9
81.33077	3.1
83.04891	5.5
91.40685	2.9
95.04846	3.1
97.06464	20.2
109.06554	2.9
111.08046	10.9
125.09698	3.9
135.08046	3.9
141.08929	3.4
149.09694	4.4
151.11211	17.1
153.09117	3.4
153.12814	3.7
155.10701	14.3
163.11142	6.8
165.12766	14.6
167.10635	9.5
177.12697	6.3
179.10742	4.7
181.12288	17.0
191.10789	5.1
191.14336	10.6
197.11668	3.8
209.11757	36.1
211.13336	8.3
239.09149	4.1
243.68222	3.7
245.19087	35.9
263.20123	12.1
271.17001	4.7
289.18076	62.1
290.18445	4.8
307.19159	100.0
307.22626	6.2
308.19443	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.30354	0.3
53.62531	0.3
56.07927	0.3
56.51629	0.3
59.01250	0.4
59.72958	0.3
62.15962	0.4
67.18239	0.3
70.89140	0.5
70.89498	0.8
88.09498	0.3
96.95892	0.4
100.60063	0.4
113.09575	0.6
139.69930	0.4
139.97597	0.4
283.12463	0.4
293.93814	0.4
307.22791	100.0
308.23145	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	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.90245	1.9
55.07047	1.8
57.13791	1.9
59.01253	8.7
71.01265	3.6
98.20632	5.5
102.96574	2.3
108.37663	2.2
109.30978	2.0
161.04401	2.2
177.12793	2.7
179.14326	5.7
205.12379	3.2
205.15913	6.7
214.05873	2.1
223.13373	9.7
231.21201	5.0
232.21313	2.0
275.20163	100.0
276.20428	8.0
289.18115	2.6
306.64432	2.4
307.19321	4.2
307.22775	66.4
308.23212	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77045	1.1
57.03315	6.4
57.63514	0.9
59.01256	8.4
59.80574	0.9
62.50148	1.0
69.03323	2.4
69.40478	7.9
69.40889	2.5
71.01245	1.5
71.04880	1.7
76.87966	1.0
78.74411	1.3
80.02539	2.0
81.03327	8.1
83.01278	5.0
83.04909	2.3
86.44907	1.0
95.04932	5.1
97.02827	5.9
97.06475	12.1
101.90845	0.9
103.58039	0.9
106.04098	1.5
107.04915	2.0
109.06474	3.7
111.08010	1.2
119.08566	2.1
121.06474	3.9
123.04385	10.2
123.08046	3.0
124.05203	1.1
125.05966	1.4
125.09612	14.8
127.07527	1.0
135.08028	3.5
137.05988	1.4
137.09619	12.3
141.12733	3.7
149.05971	3.4
149.09537	1.7
151.11148	4.2
161.09589	1.9
162.10327	1.9
163.07515	1.8
163.11186	15.2
165.12817	5.7
167.10693	2.5
171.10197	2.4
177.12776	1.7
179.10706	3.0
181.12309	6.1
185.11761	20.5
191.10703	3.4
191.12680	2.1
191.14323	20.4
192.14754	1.7
203.14470	1.3
207.10207	11.3
209.11781	29.1
210.12074	1.3
211.13313	3.9
213.32280	1.1
217.15933	3.0
225.11304	11.6
245.19067	44.9
246.19463	3.9
247.17171	1.6
263.20142	7.4
271.17096	4.6
279.19748	1.9
286.38715	1.1
289.18097	100.0
290.18515	6.9
307.19147	63.1
308.19421	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	307.0858
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01251	30.1
61.72991	0.3
64.66078	0.3
69.53218	1.3
69.53645	1.4
79.95601	1.5
96.95889	100.0
98.95446	0.7
111.00636	0.4
112.65584	0.3
112.90463	0.3
123.08017	1.0
167.10684	1.2
221.94635	0.3
227.12843	20.1
228.13223	1.1
307.08569	61.1
308.08884	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96774	0.2
57.81758	0.3
59.01245	0.7
59.96611	0.5
71.01254	0.4
71.15068	0.6
74.98943	4.8
74.99356	0.4
75.96111	0.4
91.02077	2.9
93.00014	5.7
105.23464	0.2
149.00850	3.8
159.08382	7.8
161.06308	2.0
179.03410	0.3
185.11769	0.3
192.98087	0.7
206.99673	1.7
209.01221	2.8
209.11873	0.4
210.01260	0.3
210.99178	0.3
217.07198	1.1
223.02792	49.8
224.02843	4.4
225.00677	1.1
241.03871	2.1
242.03543	0.3
250.86421	0.3
275.05994	0.6
282.00577	0.3
289.07495	2.1
289.18088	0.8
291.09106	100.0
292.09247	10.4
307.12277	1.8
307.19205	1.1
308.12427	0.3
309.10287	2.7
310.10031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72607	0.5
59.01236	1.5
64.33096	0.5
71.01241	1.0
71.06654	1.4
74.98947	5.0
75.14798	0.6
89.02293	0.5
91.02070	2.5
93.00011	6.2
121.69405	0.6
149.00858	4.3
151.11192	0.6
159.08400	7.4
161.06345	2.9
192.98155	0.7
206.99666	1.5
209.01227	2.8
217.07115	1.1
222.56381	0.6
223.02797	49.6
224.02802	4.2
241.03821	1.7
245.19211	0.9
247.74951	0.5
275.06052	0.7
289.07547	2.0
289.17923	1.6
290.07657	0.7
291.09113	100.0
292.09219	10.6
307.12396	1.8
307.19180	2.0
309.10272	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.1
57.03314	1.2
58.00458	3.2
59.01254	50.6
69.03334	1.9
70.86709	0.7
71.01257	32.9
71.06757	2.0
72.99186	3.2
73.02816	2.4
83.01260	2.6
85.02826	7.1
87.00762	2.6
89.02320	21.8
95.01270	2.5
96.67728	0.9
96.95901	2.2
99.00748	1.1
99.08032	32.2
100.47326	0.7
101.02322	19.1
113.02323	9.6
113.09628	1.0
118.03082	0.7
119.03383	10.0
119.04812	0.8
127.07539	7.7
129.09105	3.1
131.03369	0.9
141.09102	3.0
143.03508	1.2
145.02847	1.7
145.08611	85.0
146.08904	1.9
154.04985	1.2
161.04488	2.5
179.05553	1.2
182.04526	2.5
187.09750	2.9
240.78119	0.7
307.13989	100.0
308.14307	5.5
320.84836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.65065	0.7
55.01738	1.6
57.05104	1.0
58.00454	2.5
59.01251	43.1
64.87077	0.8
68.42917	0.9
69.03361	0.9
71.01257	28.2
71.57650	1.3
72.99184	3.1
73.02818	2.4
83.01257	1.6
85.02831	6.3
87.00759	2.4
87.01517	0.8
89.02320	22.9
95.01251	2.9
96.95902	3.2
99.08032	26.3
100.08377	0.9
101.02322	18.2
110.29073	0.8
113.02337	8.9
119.03399	8.7
119.04800	1.1
125.39420	1.0
127.07547	4.0
128.07878	0.8
129.09061	2.0
131.03348	1.2
141.09077	1.9
145.02849	1.2
145.08607	73.9
146.08940	2.5
151.67232	0.9
161.04568	1.2
179.05481	1.2
187.09715	1.7
307.13980	100.0
308.14410	7.8
325.54880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38398	1.4
55.01759	4.1
57.03333	4.4
59.01250	3.5
61.98683	1.7
62.89320	1.2
65.03834	56.5
66.04170	1.5
69.03324	1.5
71.04893	41.6
71.45216	2.6
81.03336	2.0
83.04899	5.7
84.55597	1.3
84.73496	1.4
87.54491	1.3
95.04912	1.5
97.06468	54.2
98.74316	1.4
116.23980	1.5
119.08543	9.8
121.06487	83.8
122.06819	3.9
123.08025	2.1
125.09626	38.6
128.45285	1.4
135.08054	2.8
137.09630	5.0
139.09312	1.2
141.12758	1.7
148.01768	1.5
171.10175	4.1
185.11772	65.7
186.12105	3.0
191.14366	1.9
209.11771	29.7
209.13730	2.0
209.81952	1.5
210.12096	1.9
211.13342	34.9
231.04265	1.4
233.15475	6.8
235.13365	100.0
236.13628	7.0
245.19165	1.4
251.16562	2.4
279.19635	5.3
281.79065	1.6
289.18073	28.0
307.19119	28.1
308.19397	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	307.1916
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.34626	2.2
55.01766	3.7
57.03328	9.0
59.01252	7.9
65.03835	57.5
66.04144	2.4
69.03338	3.4
69.41455	2.1
70.89018	6.7
71.04893	32.6
81.03337	2.9
83.04900	16.0
85.06458	3.0
90.46268	2.2
93.03342	21.5
95.04913	2.5
97.06471	59.8
105.06994	3.3
106.04137	4.5
109.06510	4.2
111.08076	5.2
117.06973	17.4
119.04915	5.3
119.08565	35.8
120.05684	3.3
121.06484	75.6
123.08063	5.1
125.09618	43.3
127.11215	2.3
133.06476	6.8
135.08057	84.9
136.08377	4.6
137.09612	7.1
138.06816	4.3
151.11131	2.4
163.11247	2.8
171.10188	72.8
172.10582	2.7
185.11766	57.2
205.15961	6.1
209.11754	27.8
211.13350	34.5
212.13646	3.4
221.15384	4.0
231.13768	3.5
233.15369	16.8
235.13380	62.5
236.13853	4.3
245.19090	10.1
249.14920	21.9
252.13638	3.8
261.18442	3.6
271.16995	5.1
279.19745	8.6
289.18109	100.0
290.18356	10.4
307.19138	49.7
308.19495	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.7
57.03313	4.3
57.67239	2.3
59.01262	2.9
64.00353	2.1
65.03834	72.2
66.04169	3.4
66.25689	2.6
71.04894	46.2
75.29033	2.4
84.11382	2.1
95.04906	4.2
97.06467	74.0
106.27682	2.6
109.06461	3.5
116.14464	2.4
119.08545	19.2
121.06487	97.6
122.06863	2.7
123.08044	3.1
125.09611	46.3
129.13383	2.5
135.08028	5.2
137.09645	4.7
171.10223	3.6
185.11761	91.4
186.12175	4.7
189.66414	2.7
209.11778	36.8
210.12105	4.0
211.13364	35.2
235.13364	100.0
236.13689	7.7
245.18881	2.9
279.19543	2.7
289.18146	23.6
307.19080	34.6
308.19571	4.9
326.27374	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34192	0.5
57.03321	0.9
59.01260	3.3
63.91144	0.6
69.03336	0.8
70.11922	2.8
71.04888	6.2
71.08102	0.5
73.60950	0.6
80.02551	1.2
81.03340	2.0
83.04903	3.1
86.54913	0.6
95.04897	1.8
97.06482	1.4
98.03606	2.3
107.04903	0.7
109.06487	15.8
111.04410	8.7
111.08077	1.0
112.05201	1.0
121.06480	0.8
123.08014	1.7
127.07547	4.2
135.08156	0.9
135.84886	0.7
137.09641	1.1
143.10687	1.6
145.06462	2.2
147.08064	0.7
149.09639	1.8
151.11115	1.1
163.11221	0.7
167.10643	2.8
169.12206	0.8
177.12796	1.1
179.10765	1.7
191.14365	1.2
195.13864	4.6
195.94618	0.7
205.15771	0.6
207.17427	0.6
235.13351	3.6
245.19096	6.3
249.14966	0.8
251.16551	0.9
271.16949	1.9
273.15250	0.8
287.16501	2.6
289.18106	100.0
290.18472	8.2
307.19171	12.5
308.19391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03329	3.2
59.01259	3.0
65.03526	0.8
65.03833	4.0
69.03339	1.5
71.04903	7.9
71.15353	0.9
71.15665	1.2
76.12019	0.6
76.73565	0.8
79.05408	12.8
80.02552	0.7
81.48736	0.7
83.04923	1.3
92.64482	0.6
93.03330	1.8
94.04147	1.0
95.04914	2.2
97.06470	15.0
106.04138	10.6
107.04921	2.6
109.06476	2.8
111.27174	0.7
117.06986	1.9
119.04931	1.3
120.05691	5.5
121.06505	3.4
123.08044	5.0
125.05930	1.1
125.09620	19.1
133.06497	2.1
135.08064	100.0
136.08417	3.6
137.09602	2.2
141.01758	0.7
151.11191	2.6
153.38823	0.8
154.37932	0.7
159.08018	0.9
161.09583	0.7
162.06741	0.9
163.11208	1.0
176.08379	0.8
177.12869	0.9
183.10204	1.4
185.11787	2.2
189.12857	1.9
205.15913	6.2
207.10266	2.2
209.11722	1.0
221.11887	1.5
231.13832	2.1
243.17657	0.7
249.14952	54.7
250.15279	2.8
263.16528	1.9
269.15500	1.2
277.18030	2.8
287.16507	8.0
305.17599	63.3
306.17938	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.6
59.01245	4.7
69.39428	2.3
69.39845	9.6
71.01253	1.3
71.04894	31.8
81.03321	3.2
83.04900	1.7
84.55607	1.1
93.03328	2.0
95.04906	15.4
97.06488	2.0
106.04120	1.8
106.73908	1.1
107.04917	2.4
108.02084	1.5
109.02792	1.5
109.06478	12.3
111.04449	1.4
119.04893	1.3
121.06472	5.5
122.03623	1.6
123.04439	2.1
123.08028	2.5
125.09606	3.8
127.07578	1.8
135.08051	12.3
139.07591	1.2
147.04417	2.2
147.08070	2.7
150.06744	1.3
151.11218	1.2
158.97493	1.4
159.08031	1.4
161.06003	2.6
162.06792	1.4
165.09134	8.4
175.07668	2.0
185.11757	4.5
189.12761	12.7
205.15916	8.7
206.16376	1.6
233.11795	7.1
243.17528	12.1
249.14941	17.1
250.15419	1.4
261.18613	3.7
263.16605	1.8
269.15567	2.8
287.16537	66.0
288.16898	7.0
305.17599	100.0
306.17801	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	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01762	3.9
59.01251	17.5
63.00694	3.5
71.04884	16.0
73.02819	10.0
74.24964	3.3
75.95917	2.9
85.02824	3.4
85.30346	3.1
97.06460	4.9
99.04402	100.0
99.49684	2.9
109.06501	4.9
112.80748	3.7
121.06499	3.1
123.08068	25.4
125.05956	9.0
135.08046	13.2
136.05220	3.8
138.06781	3.3
149.09605	10.9
164.08272	6.2
189.12790	8.4
193.12231	6.7
195.13858	4.4
201.12659	3.5
205.12213	5.9
219.13925	10.5
227.68263	3.0
243.17542	51.5
244.17776	6.0
249.15045	6.6
261.18494	5.5
269.15536	7.7
277.15265	3.6
287.16559	74.5
288.16785	6.2
305.08179	3.8
305.17618	84.2
305.20959	6.3
306.17966	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
58.59816	0.8
59.57096	0.8
68.71301	0.8
76.79287	0.8
109.47478	0.8
111.83952	0.8
117.16107	1.0
130.83226	0.8
176.93970	0.8
263.07449	0.9
305.24847	100.0
306.25208	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	306.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01909	0.8
50.69971	0.8
55.41906	0.9
58.02848	16.3
58.99459	1.0
59.01032	0.8
59.01258	8.4
66.03358	2.2
66.03691	0.9
66.85280	0.8
68.40669	0.8
70.02850	1.7
70.19363	2.0
70.19760	1.7
71.01263	2.4
72.00787	3.5
74.02346	28.3
79.95615	1.0
81.04427	1.3
82.02864	2.8
84.04452	1.9
85.03941	1.6
86.02349	11.5
86.05994	2.2
86.98986	2.4
87.05515	10.9
88.03909	1.4
89.02322	1.3
90.00077	3.5
94.61911	0.9
96.95891	20.0
97.03941	4.5
97.95818	1.3
98.95480	1.7
99.05518	28.1
100.00316	1.6
101.02376	1.1
101.07089	4.4
102.05498	3.5
108.99532	0.9
109.03970	3.8
109.07588	1.5
111.05505	2.4
112.03934	3.8
113.03471	1.3
113.07110	1.1
116.01675	1.3
120.01208	1.3
123.05553	3.7
124.03953	2.4
125.03465	3.5
127.05032	5.2
128.03435	65.4
129.99600	1.3
131.04538	2.8
135.05563	6.2
137.07095	1.3
141.06590	7.4
143.04530	100.0
144.04861	3.1
145.06085	4.0
146.04482	7.8
153.06601	6.0
155.08238	1.2
159.99304	1.1
160.00658	23.1
166.09801	3.3
167.04532	7.4
167.08189	2.5
171.03992	1.3
171.07747	1.6
177.03351	8.7
179.04555	18.5
180.07846	0.9
181.06073	2.0
184.10851	1.6
185.05623	4.0
192.07808	1.2
197.05656	3.2
198.08833	1.3
206.78951	0.9
210.08795	21.1
226.11641	3.7
228.09824	1.3
242.07822	3.2
254.07852	21.3
260.08926	1.0
272.08905	21.0
288.06671	3.6
306.07608	32.9
307.08002	2.2
307.13943	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.01909	0.8
50.69971	0.8
55.41906	0.9
58.02848	16.3
58.99459	1.0
59.01032	0.8
59.01258	8.4
66.03358	2.2
66.03691	0.9
66.85280	0.8
68.40669	0.8
70.02850	1.7
70.19363	2.0
70.19760	1.7
71.01263	2.4
72.00787	3.5
74.02346	28.3
79.95615	1.0
81.04427	1.3
82.02864	2.8
84.04452	1.9
85.03941	1.6
86.02349	11.5
86.05994	2.2
86.98986	2.4
87.05515	10.9
88.03909	1.4
89.02322	1.3
90.00077	3.5
94.61911	0.9
96.95891	20.0
97.03941	4.5
97.95818	1.3
98.95480	1.7
99.05518	28.1
100.00316	1.6
101.02376	1.1
101.07089	4.4
102.05498	3.5
108.99532	0.9
109.03970	3.8
109.07588	1.5
111.05505	2.4
112.03934	3.8
113.03471	1.3
113.07110	1.1
116.01675	1.3
120.01208	1.3
123.05553	3.7
124.03953	2.4
125.03465	3.5
127.05032	5.2
128.03435	65.4
129.99600	1.3
131.04538	2.8
135.05563	6.2
137.07095	1.3
141.06590	7.4
143.04530	100.0
144.04861	3.1
145.06085	4.0
146.04482	7.8
153.06601	6.0
155.08238	1.2
159.99304	1.1
160.00658	23.1
166.09801	3.3
167.04532	7.4
167.08189	2.5
171.03992	1.3
171.07747	1.6
177.03351	8.7
179.04555	18.5
180.07846	0.9
181.06073	2.0
184.10851	1.6
185.05623	4.0
192.07808	1.2
197.05656	3.2
198.08833	1.3
206.78951	0.9
210.08795	21.1
226.11641	3.7
228.09824	1.3
242.07822	3.2
254.07852	21.3
260.08926	1.0
272.08905	21.0
288.06671	3.6
306.07608	32.9
307.08002	2.2
307.13943	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	9.6
59.01257	78.6
60.57684	6.4
70.78515	20.5
71.01246	39.9
72.99181	22.8
73.02822	7.6
75.00756	18.1
85.60792	6.5
89.02319	24.7
96.95928	7.5
97.06481	8.6
99.00730	11.3
110.03657	7.3
112.98715	9.6
113.02307	9.1
117.01832	8.6
119.62352	6.7
121.06459	7.5
125.02373	39.9
125.06001	11.2
135.02815	7.6
139.07501	6.6
142.99773	40.8
149.05965	11.0
149.86281	6.4
155.10760	8.0
167.07071	15.7
167.10677	28.7
171.10165	18.8
173.00896	7.8
177.01816	7.0
185.11774	100.0
213.11299	32.5
215.31827	6.4
225.07532	18.4
225.11171	9.1
235.85889	6.4
275.61877	7.0
285.04016	23.5
303.14459	26.5
318.76804	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96631	0.2
54.18839	0.2
57.36143	0.2
58.02851	48.9
59.01265	0.3
59.03188	0.3
70.02859	0.3
71.57466	0.2
76.44167	0.2
87.08527	0.2
93.03347	0.3
125.09662	0.3
135.08025	0.2
168.13857	100.0
169.14220	5.2
185.47917	0.2
212.12871	7.1
213.13263	0.2
244.15762	0.2
249.14928	0.4
287.16525	0.5
304.16391	0.4
304.19345	0.7
305.08087	0.3
305.17560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.10926	1.9
50.93989	2.0
57.03318	10.2
69.03316	2.2
70.14166	6.6
81.03316	2.8
83.01254	4.6
95.04889	3.7
97.02840	5.2
109.02841	16.5
110.14070	2.0
111.04415	3.4
123.00711	3.6
125.02332	100.0
125.03252	4.8
126.02679	2.4
128.03386	3.6
137.02322	30.7
139.03935	19.9
141.23340	2.3
143.04559	5.4
143.17136	2.3
151.03871	2.4
161.02335	4.8
164.01059	3.1
165.01880	19.5
167.03391	21.0
175.03922	2.6
177.01871	3.0
177.05440	4.7
179.03403	17.3
204.04286	2.7
219.06529	13.0
221.04492	9.3
226.62344	2.7
261.07538	2.9
305.06683	45.6
306.06970	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	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84224	0.3
59.01254	44.4
62.50854	0.3
68.05287	0.4
75.11317	0.4
79.95619	1.9
87.13604	0.3
89.00540	0.3
90.57893	0.4
94.23735	0.4
96.95893	100.0
97.06461	1.4
100.81908	0.4
127.12016	0.4
133.30772	0.4
135.08044	0.8
143.04454	0.4
147.08067	2.2
165.09117	0.8
170.06618	0.4
188.49854	0.4
200.94942	0.4
225.11288	19.9
226.11626	0.9
229.44341	0.5
305.07013	50.3
306.07385	4.0
308.63028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	40.5
70.88264	0.8
70.88599	0.4
71.01251	0.4
72.22205	0.3
74.02364	0.8
79.11816	0.4
79.95630	1.2
86.02364	0.4
87.05558	0.5
96.95892	100.0
97.06469	1.0
97.95807	0.4
99.05532	0.6
105.90920	0.4
128.03426	2.2
132.15407	0.4
135.08104	0.7
135.36987	0.4
143.04518	3.3
147.08044	1.1
153.06517	0.4
165.09161	1.0
179.97083	0.4
210.08647	0.6
225.11284	24.0
226.11638	1.6
254.07883	0.5
305.07001	56.5
306.07330	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	305.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36548	0.3
62.85222	0.3
69.51825	0.3
70.02859	5.7
71.04910	0.5
73.88441	0.3
79.62429	0.3
94.80432	0.3
96.00795	0.9
96.95907	0.8
105.05712	0.9
110.05994	3.7
114.01865	15.9
119.07268	0.4
125.34623	0.3
126.05515	0.5
132.08096	1.1
134.09660	40.2
135.10014	1.5
137.04764	0.5
143.04501	0.5
148.11250	0.6
161.08331	1.2
172.11226	0.6
175.09982	1.7
190.12309	100.0
191.10202	0.3
191.12656	6.3
197.96544	0.3
229.29266	0.5
229.31384	0.4
240.09312	0.3
243.14856	0.4
281.64011	0.3
287.16574	0.5
305.14853	3.1
305.17810	0.9
306.15125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17510	0.1
57.03340	0.2
58.00480	0.2
59.01253	1.0
59.95111	0.1
61.62706	0.1
69.80888	0.6
71.01258	0.2
83.04910	0.1
89.02320	0.5
91.03888	0.9
97.06465	0.2
111.08050	0.3
114.01057	0.1
123.82671	0.1
165.12776	3.5
166.13190	0.2
183.13835	100.0
184.14175	5.4
209.11786	2.1
210.12032	0.1
221.19075	1.5
227.12840	4.6
228.13223	0.2
237.14468	0.1
239.20201	0.1
265.18069	1.1
283.19189	1.0
301.16580	6.2
301.20236	3.6
302.16934	0.4
302.20380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23552	0.1
59.01249	0.7
68.52695	0.1
71.02399	0.3
89.02333	0.4
91.03890	1.1
99.98836	0.2
105.15285	0.2
111.08082	0.3
123.86742	0.1
165.12776	3.8
183.13829	100.0
184.14159	4.8
191.78998	0.1
209.11775	2.2
210.27849	0.2
227.12820	4.7
228.13115	0.4
271.90228	0.2
301.07156	0.2
301.16562	6.3
302.16873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59992	0.3
54.50047	0.3
55.77012	0.3
57.03324	0.4
58.00458	0.3
59.01254	2.9
66.81403	0.3
69.77268	1.2
69.77682	0.7
70.49542	0.3
71.01263	0.6
74.95216	0.4
79.05437	0.5
83.04915	0.5
83.58327	0.3
91.03874	1.1
97.02885	0.4
97.06439	0.5
98.19889	0.6
114.86722	0.3
121.02847	0.7
124.01556	0.6
124.07568	0.8
129.43906	0.3
134.03566	0.4
142.87941	0.4
149.02364	0.6
151.00232	0.9
158.41159	0.4
165.01842	0.7
165.12772	4.1
183.13834	100.0
184.14165	5.5
197.06021	0.4
199.13347	1.0
209.11763	2.7
221.19106	0.5
227.12859	10.4
228.13213	0.5
241.10794	0.6
257.12909	2.8
282.04865	0.4
283.19183	0.4
301.00116	2.2
301.03516	0.9
301.07236	1.6
301.13129	1.2
301.16605	7.1
301.20215	2.7
302.17029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.73478	0.2
53.71729	0.2
59.96587	0.2
60.97367	1.1
66.79414	0.3
71.21074	0.3
74.98949	0.4
85.30820	0.2
91.02107	0.3
93.00009	0.3
94.00491	0.2
118.96153	0.7
134.99294	7.8
135.99345	0.3
136.97218	3.4
141.07341	0.5
143.05286	0.3
150.98781	0.6
151.00121	0.3
152.96716	0.3
159.08376	1.9
161.06306	8.7
162.06598	0.3
174.96941	0.2
183.13841	0.8
201.04070	0.5
203.05615	4.4
205.03581	1.6
215.05655	1.2
217.07167	92.9
218.07288	6.4
235.08203	0.7
261.06192	0.9
283.11914	0.8
285.13483	39.2
286.13684	3.7
301.16608	100.0
302.16794	10.3
302.64856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
53.72512	0.2
54.25149	0.2
57.03332	3.1
59.01237	0.3
69.03316	0.4
69.19728	0.2
71.01268	0.3
71.04925	0.3
79.16245	0.2
81.68279	0.2
83.04890	0.4
97.06483	0.5
99.08032	0.8
100.13020	0.2
102.35763	0.2
113.09624	1.6
127.11192	0.7
135.41888	0.2
139.11183	0.9
153.12782	0.6
155.14293	0.5
158.26215	0.2
165.12759	0.4
183.13840	9.8
184.14136	0.3
209.11578	0.3
211.20558	0.4
221.19066	36.3
222.19434	2.6
227.12865	0.6
229.46385	0.3
237.18570	1.0
239.20132	3.2
242.83067	0.3
247.16966	0.4
252.71408	0.3
257.12946	1.0
257.21231	1.8
265.18085	20.3
266.18457	1.6
271.63629	0.2
283.19159	25.6
284.19492	2.0
300.99896	0.5
301.20203	100.0
302.20560	8.3
302.23337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89668	0.8
57.03327	1.7
58.00472	1.4
59.01267	5.1
61.41426	0.8
64.66974	1.0
65.00202	1.1
69.03316	5.9
69.74619	5.9
71.01260	21.1
72.99191	2.0
81.03339	4.3
81.18092	1.0
83.01265	2.6
83.04888	2.3
87.00783	1.4
89.02316	1.5
91.05408	1.0
91.17863	1.3
93.03342	3.8
95.01235	1.3
95.04924	2.0
96.95914	1.3
97.02838	7.1
98.20514	2.0
107.01277	2.0
107.04895	1.2
108.02064	9.3
109.02855	7.8
109.45646	1.0
111.04437	4.9
119.04913	1.3
121.02834	9.5
122.03624	1.7
122.94866	1.0
123.00789	2.7
123.04405	14.6
124.01576	1.2
125.02348	50.9
126.02641	1.2
133.02823	2.3
134.03632	8.2
135.04434	5.3
136.01566	1.3
137.02347	17.1
138.03148	12.7
139.03766	1.2
145.02861	1.5
147.04446	2.9
148.01593	1.3
149.02353	4.4
149.06001	2.0
151.00288	1.8
151.03912	22.2
151.05054	1.6
152.04207	1.3
159.04497	1.2
161.02289	1.1
163.03929	10.6
165.05501	1.2
165.12825	5.6
170.02126	1.3
173.02345	1.5
174.03181	1.1
175.03903	1.2
179.03349	2.1
183.13831	15.6
185.05988	1.5
187.03838	1.3
191.03520	1.6
193.12245	1.6
197.06055	1.0
200.04733	3.6
201.05379	1.4
209.05945	2.0
211.13342	100.0
212.04593	1.0
212.13737	5.6
213.05492	2.2
213.14955	3.8
213.35767	0.9
221.19075	1.8
223.13545	0.9
225.05495	4.1
226.06259	1.7
227.07126	4.4
228.04248	3.1
228.07813	3.0
229.08617	3.3
235.13423	1.8
237.05595	1.5
237.14792	1.1
237.18542	2.4
240.04504	1.2
241.14423	18.2
243.06465	1.1
253.05151	4.0
253.14502	4.2
254.05766	5.7
255.06595	7.1
255.16022	3.9
256.03818	2.5
256.06699	1.1
257.08185	1.5
265.14407	4.8
268.07410	1.8
271.06110	17.3
272.06433	2.0
273.07220	1.8
283.06158	13.9
283.09366	1.6
283.15759	1.0
284.06439	1.7
286.08478	14.5
287.08838	1.7
300.99963	3.5
301.03717	1.9
301.07178	26.0
301.10562	1.6
301.16702	2.8
301.20181	28.7
302.07501	3.4
302.20486	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	301.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.3
71.01246	0.6
73.02822	1.6
80.04925	2.2
94.06478	0.7
96.08025	0.6
97.01521	0.6
106.06497	5.2
108.04437	22.9
111.14614	0.4
121.05229	3.8
122.06020	1.2
124.07581	10.7
136.07585	47.9
137.07913	1.5
150.05496	2.3
168.06580	1.1
183.13857	5.3
201.07899	0.6
207.13626	0.5
211.13342	2.5
213.06802	0.7
213.13924	0.6
213.51126	0.5
214.12288	0.8
224.09573	0.6
225.14973	0.6
227.08168	1.4
227.12920	2.6
228.09108	0.6
239.11882	1.0
242.10550	1.6
257.12939	100.0
258.13257	6.8
283.15518	1.0
301.03625	0.9
301.11887	5.5
301.16782	1.2
302.12189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89668	0.8
57.03327	1.7
58.00472	1.4
59.01267	5.1
61.41426	0.8
64.66974	1.0
65.00202	1.1
69.03316	5.9
69.74619	5.9
71.01260	21.1
72.99191	2.0
81.03339	4.3
81.18092	1.0
83.01265	2.6
83.04888	2.3
87.00783	1.4
89.02316	1.5
91.05408	1.0
91.17863	1.3
93.03342	3.8
95.01235	1.3
95.04924	2.0
96.95914	1.3
97.02838	7.1
98.20514	2.0
107.01277	2.0
107.04895	1.2
108.02064	9.3
109.02855	7.8
109.45646	1.0
111.04437	4.9
119.04913	1.3
121.02834	9.5
122.03624	1.7
122.94866	1.0
123.00789	2.7
123.04405	14.6
124.01576	1.2
125.02348	50.9
126.02641	1.2
133.02823	2.3
134.03632	8.2
135.04434	5.3
136.01566	1.3
137.02347	17.1
138.03148	12.7
139.03766	1.2
145.02861	1.5
147.04446	2.9
148.01593	1.3
149.02353	4.4
149.06001	2.0
151.00288	1.8
151.03912	22.2
151.05054	1.6
152.04207	1.3
159.04497	1.2
161.02289	1.1
163.03929	10.6
165.05501	1.2
165.12825	5.6
170.02126	1.3
173.02345	1.5
174.03181	1.1
175.03903	1.2
179.03349	2.1
183.13831	15.6
185.05988	1.5
187.03838	1.3
191.03520	1.6
193.12245	1.6
197.06055	1.0
200.04733	3.6
201.05379	1.4
209.05945	2.0
211.13342	100.0
212.04593	1.0
212.13737	5.6
213.05492	2.2
213.14955	3.8
213.35767	0.9
221.19075	1.8
223.13545	0.9
225.05495	4.1
226.06259	1.7
227.07126	4.4
228.04248	3.1
228.07813	3.0
229.08617	3.3
235.13423	1.8
237.05595	1.5
237.14792	1.1
237.18542	2.4
240.04504	1.2
241.14423	18.2
243.06465	1.1
253.05151	4.0
253.14502	4.2
254.05766	5.7
255.06595	7.1
255.16022	3.9
256.03818	2.5
256.06699	1.1
257.08185	1.5
265.14407	4.8
268.07410	1.8
271.06110	17.3
272.06433	2.0
273.07220	1.8
283.06158	13.9
283.09366	1.6
283.15759	1.0
284.06439	1.7
286.08478	14.5
287.08838	1.7
300.99963	3.5
301.03717	1.9
301.07178	26.0
301.10562	1.6
301.16702	2.8
301.20181	28.7
302.07501	3.4
302.20486	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	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18008	0.3
57.03328	17.1
58.03654	0.4
70.93520	0.3
81.03338	3.0
83.01260	7.9
84.01579	0.3
88.44488	0.3
98.20654	0.6
113.09606	0.3
123.00755	0.4
124.01484	0.4
125.02343	100.0
126.02688	2.6
148.01614	0.6
151.00287	0.3
161.02309	0.6
163.07564	0.8
165.12778	0.6
175.03984	0.6
176.04706	1.9
183.13844	7.1
191.07057	1.6
199.03909	0.3
200.04733	0.5
209.11797	1.1
215.07045	0.3
221.19099	4.7
227.12907	1.5
239.20143	1.0
265.18085	2.2
283.19189	3.3
286.05124	0.4
301.00174	1.6
301.07230	16.3
301.16818	0.5
301.20190	11.8
302.07541	1.3
302.20581	0.9
317.04736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28688	0.6
59.01229	1.3
63.02269	13.7
64.99847	1.2
65.00196	21.3
67.97366	0.6
69.81911	1.9
69.82342	2.1
73.02795	0.7
79.77792	0.6
80.02538	2.8
83.01265	12.5
93.03358	1.7
93.62524	0.7
95.01256	0.7
107.01272	35.7
108.02061	16.3
108.02806	0.9
121.02832	1.3
123.00765	1.8
123.04427	5.7
125.02332	2.0
133.02768	0.7
134.03635	47.0
135.04025	2.0
136.01559	8.1
137.02319	1.1
149.02296	1.1
149.05989	26.7
150.06339	0.9
151.00276	67.5
152.00661	2.6
160.01538	1.0
164.01074	12.8
165.01831	13.1
169.01335	7.3
174.03116	1.8
175.03920	0.9
177.01845	10.4
183.13737	1.1
185.02272	0.7
196.00066	9.4
197.00526	0.7
198.03331	0.6
199.03928	1.3
201.01913	1.2
209.11740	2.1
211.47290	0.6
212.66655	0.7
215.03426	1.0
227.12813	1.1
229.13531	0.7
237.51234	0.6
241.04990	1.0
257.09207	1.2
257.12979	0.8
258.05634	0.8
283.02411	0.8
285.03943	1.1
286.04855	4.8
300.99927	2.2
301.03757	5.7
301.07153	100.0
301.20062	1.4
302.07492	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	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71163	0.4
57.02869	0.3
59.01246	1.1
63.02274	9.0
65.00196	16.8
70.98817	0.8
80.02547	2.6
83.01255	9.0
93.03326	0.5
107.01274	27.5
108.02069	13.3
121.02866	0.7
123.00769	0.7
123.04430	4.6
124.01614	0.8
125.02328	1.6
134.03636	41.3
135.04170	1.5
135.35341	0.4
136.01563	9.4
149.05988	24.8
150.06348	1.0
151.00279	59.2
152.00729	1.4
152.54639	0.4
160.01588	0.6
164.01068	12.2
165.01874	3.6
165.12769	0.7
169.01335	5.5
174.03152	1.5
175.03932	0.6
177.01840	8.3
177.03313	0.7
183.13829	8.7
183.15378	0.7
184.14297	0.5
187.45479	0.4
195.98370	0.7
196.00066	8.5
197.00429	0.4
199.03912	1.1
199.13335	0.8
201.01813	1.8
204.03130	0.3
209.04916	0.4
209.11797	3.9
215.03490	0.8
227.12810	1.7
230.33827	0.4
242.05806	0.9
268.03577	0.5
270.65897	0.4
285.04016	1.4
286.04803	3.1
287.05353	0.6
301.07169	100.0
302.07507	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	301.1081
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
51.53359	0.6
57.03326	3.1
58.00489	0.6
59.01281	0.9
59.78950	0.5
65.07872	0.5
83.01306	1.5
93.03375	2.0
95.01296	1.2
95.04990	0.8
98.20602	1.0
105.03393	0.7
108.02056	4.6
109.02839	12.6
110.00018	0.7
110.03222	0.6
111.00816	2.1
113.09694	0.6
114.50951	0.5
119.04895	0.6
121.02850	47.9
122.03168	1.5
123.00761	6.5
124.01618	1.7
125.02336	12.1
125.09618	0.9
133.02930	2.2
134.03664	0.6
135.04417	5.3
137.02382	3.3
138.03145	1.4
139.03961	1.0
147.04416	9.9
148.01624	1.0
149.02357	44.2
150.02751	1.4
151.00253	0.8
151.03841	0.5
153.01891	0.7
157.06546	1.9
159.04471	0.6
161.02348	6.0
164.01054	0.7
164.04741	2.2
165.12779	1.6
173.06020	2.1
175.03925	0.9
175.07613	1.0
175.21487	0.6
179.07089	3.0
181.06520	1.2
181.12164	0.5
183.04362	0.5
183.13837	13.2
185.06046	1.7
197.06007	0.7
199.03926	0.6
199.07550	3.3
199.13338	6.9
201.05533	3.0
203.07034	0.9
209.06068	1.8
209.11768	3.9
212.04724	1.4
215.03500	1.5
215.07094	1.8
221.19080	16.2
222.19434	0.7
225.05496	3.7
227.03465	1.2
227.07083	3.5
227.12856	26.3
228.13211	1.3
229.05078	1.6
239.20117	1.0
241.05116	0.8
243.06641	3.5
253.05020	6.0
256.01282	1.1
256.03784	13.1
257.04263	1.2
257.21362	0.7
265.07669	0.6
265.18109	8.3
271.06131	100.0
272.06451	6.4
283.19150	10.2
284.19467	1.0
286.08472	95.3
287.08786	7.0
300.99939	3.0
301.07150	4.7
301.10831	12.3
301.16937	2.2
301.20203	44.4
302.11044	0.8
302.20578	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	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35870	2.7
59.01249	89.4
71.56558	5.5
94.66629	2.8
114.98804	4.5
115.02418	4.0
116.98533	3.8
117.00335	13.5
159.01407	100.0
160.01630	5.6
201.02513	29.0
227.12596	2.8
301.02716	35.4
302.02859	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99321	0.4
54.05502	0.4
55.66393	0.4
63.02280	2.4
65.00181	1.8
65.03831	0.8
67.01759	0.4
71.58531	0.7
89.00238	0.4
89.03865	0.6
91.05408	1.1
93.03300	0.5
94.10110	0.3
95.01270	0.5
95.04893	0.8
96.02057	0.3
97.02827	0.7
107.01276	0.5
108.02062	1.7
109.02835	8.9
111.28938	0.3
117.03294	0.5
121.02853	4.1
123.00764	1.4
123.04401	2.6
124.01555	82.5
125.01875	2.0
133.02850	15.1
134.03574	1.3
135.04416	4.8
136.01581	5.1
137.02347	1.9
138.38843	0.3
139.03911	100.0
140.04247	3.9
147.04407	0.4
149.02348	1.7
149.05998	1.2
150.03127	2.9
151.00282	0.7
151.03883	1.4
161.02351	98.3
162.02707	4.8
164.01091	2.3
165.01819	1.7
165.05472	1.7
165.12750	0.4
176.01074	0.5
179.03401	4.5
179.76262	0.4
183.13820	10.3
183.16252	0.5
184.14191	0.5
185.02350	0.5
191.03403	0.8
196.00075	0.8
199.13310	0.4
225.05562	0.4
227.12799	1.6
241.04886	0.5
243.04657	0.7
253.05003	1.1
257.17517	1.3
268.07306	0.4
271.06235	2.7
283.06238	0.5
283.99619	0.6
286.08560	8.0
287.08688	0.6
301.00000	4.2
301.03619	0.5
301.07129	16.4
301.10794	3.3
301.16513	1.1
301.20056	0.6
302.00180	0.6
302.07413	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	299.0564
Annotation	Ptaeroxylol
Peak:m/z	Relative Intensity
59.01249	8.9
65.00206	3.2
69.26028	14.1
72.99203	1.7
82.57526	1.4
83.61217	1.5
91.01775	5.4
101.02344	1.8
101.49702	1.3
107.01262	3.1
108.02042	3.9
109.99995	2.4
119.64103	1.2
121.02856	1.8
123.00784	2.2
133.02892	1.6
135.00801	5.3
138.05537	2.4
148.01584	10.3
151.00270	4.2
153.01865	4.4
155.04977	1.7
158.03683	3.8
161.02321	1.7
165.01819	2.1
171.04483	1.6
172.05269	1.9
174.03110	2.7
174.99223	2.5
177.70580	1.3
183.04465	4.9
183.13789	1.6
184.05157	3.8
186.02878	1.5
187.03917	4.7
195.04478	4.5
199.03871	4.3
200.04758	6.0
210.03053	1.6
211.03967	18.1
212.04652	10.8
213.05511	4.8
214.02574	1.7
215.03432	2.7
217.00272	5.1
223.04092	2.0
225.05421	1.7
225.11443	1.6
227.03500	14.3
228.04134	5.6
239.03484	30.8
240.04199	12.6
241.04985	5.2
255.02963	23.5
255.06575	3.0
256.03754	90.1
257.04199	5.3
267.02969	14.2
268.03787	21.5
269.04538	18.4
270.05008	2.0
271.02954	2.4
271.06088	18.0
272.03162	2.5
272.06293	1.3
283.02481	4.5
284.03278	82.8
284.06628	6.1
285.03677	6.3
299.05627	100.0
299.09143	8.6
299.18713	4.2
300.02960	2.0
300.05716	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.3
61.56507	0.4
64.09086	0.4
68.01283	2.9
70.53983	1.3
71.01246	1.3
78.83266	0.4
85.02818	0.6
88.03922	1.2
89.02300	0.4
94.06501	0.4
95.04934	0.6
96.04433	0.5
108.08079	0.4
109.01555	0.5
110.05984	0.4
122.02396	0.7
122.06021	0.4
123.03147	5.7
124.07568	1.1
126.33331	0.4
130.08627	0.4
132.02936	2.5
135.33162	0.3
136.07623	0.5
137.04671	0.7
138.05508	100.0
139.05859	3.1
149.02307	0.4
150.18651	0.4
152.07112	1.1
166.08603	0.7
167.05762	2.2
168.06584	0.9
168.38858	0.3
180.06595	5.3
183.13811	0.5
210.07623	0.7
267.56628	0.4
300.10910	10.7
301.11276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33870	0.3
52.47365	0.2
52.91778	0.2
59.01234	0.5
63.02267	1.5
65.00163	1.2
69.82311	1.1
69.82751	0.7
83.01252	1.5
91.63667	0.2
92.69062	0.2
105.82246	0.3
107.01262	3.3
107.80950	0.2
125.02367	0.4
125.53108	0.3
132.01988	0.6
133.02815	0.8
134.03596	1.1
148.01518	1.2
149.99438	0.6
151.00276	4.5
169.01360	0.4
183.04424	0.6
185.02495	0.3
187.03941	0.3
188.04665	0.4
199.03914	0.8
200.04761	0.7
206.35899	0.3
211.03929	1.4
212.04642	0.7
227.03426	4.2
228.04103	0.4
239.03444	0.9
255.02988	2.8
256.03745	19.4
257.04117	1.0
267.02863	0.4
279.21289	0.3
283.02396	1.2
284.03259	100.0
285.03610	6.8
299.05606	63.2
299.18677	0.3
300.05923	5.0
312.30963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42881	0.3
54.88654	0.3
59.01252	1.1
63.02271	0.4
65.00204	0.7
70.91421	0.3
70.91753	0.8
72.85075	0.5
73.02821	0.4
80.96399	0.4
83.01267	0.3
91.01793	1.1
100.17951	0.3
107.01280	1.5
108.02081	0.4
109.06480	0.5
120.05287	0.5
132.04463	0.7
135.00803	1.3
136.01553	0.6
145.02859	0.5
148.01581	8.9
148.02776	0.4
150.03128	1.3
151.00291	1.9
151.02504	0.3
153.01878	1.0
155.04857	0.3
158.03645	1.5
159.04425	0.5
170.03688	0.5
172.05296	0.8
172.42590	0.3
175.65446	0.3
176.01099	1.4
183.04425	1.5
184.05014	0.4
189.04204	0.5
195.04507	1.3
198.03133	0.4
199.04048	2.2
200.04759	2.2
207.10168	0.7
211.03943	4.7
212.04750	2.6
213.05214	0.4
214.02698	1.0
215.03439	0.7
216.04285	0.4
223.03970	0.9
225.11287	1.4
227.03456	12.3
228.04114	1.8
239.03500	4.0
240.04120	1.6
242.02179	0.9
255.02968	9.7
256.03720	4.3
267.02875	1.9
283.02499	9.4
284.03275	100.0
285.03625	6.9
299.05615	93.8
299.14792	0.4
299.18591	0.9
300.05969	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45292	0.3
59.01259	1.8
63.02268	0.6
65.00198	38.3
66.00541	0.5
68.99683	0.5
80.25419	0.3
83.01234	0.3
89.00204	10.6
89.00761	0.6
89.03841	0.9
91.01772	8.2
93.03335	1.0
94.00484	0.4
97.02832	24.8
98.03164	0.7
106.00513	0.4
121.01962	0.6
121.02845	10.0
123.04430	0.3
133.02852	6.7
138.05492	0.5
148.01579	0.5
149.02365	0.5
149.98306	0.7
149.99500	10.2
151.00124	0.5
153.01790	0.4
154.02866	0.3
158.03510	0.3
163.00282	0.3
165.01849	78.9
166.02184	3.2
175.03848	0.4
183.02904	1.5
183.04408	0.8
196.05247	0.7
198.03186	0.9
199.03963	1.1
200.04695	0.4
201.01868	2.5
211.03914	1.6
212.04721	5.4
213.05394	0.5
214.02632	3.4
215.03564	0.5
216.04260	0.8
217.00230	1.2
223.03952	0.8
224.22675	0.3
227.03539	1.7
228.04301	0.7
229.05032	4.3
231.06612	1.7
239.03500	2.8
240.04204	4.2
241.04707	0.5
242.02190	0.6
255.02945	2.2
255.06667	1.6
256.03699	3.6
257.04407	1.0
266.02090	0.6
271.06128	4.8
283.02478	6.6
283.99988	0.6
284.03241	12.1
284.06573	0.8
285.03488	0.5
299.05612	100.0
299.26199	0.5
300.02512	0.4
300.05963	7.7
300.09113	0.6
311.18686	0.4
311.50009	0.4
313.06433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	artocarpetin
Peak:m/z	Relative Intensity
59.00995	0.6
59.01253	7.9
63.02269	3.7
64.74664	0.5
65.00191	3.5
74.25089	0.5
82.78395	0.5
83.01249	2.4
88.03910	0.7
93.03312	0.8
98.20558	1.2
99.52307	0.5
107.01293	4.7
108.02048	0.7
109.02790	0.9
120.02034	0.6
121.02806	0.9
132.02948	0.6
132.98051	0.6
137.02344	1.2
138.05447	0.8
145.02806	1.3
151.00307	4.2
158.03584	0.8
159.04428	3.4
160.44542	0.8
165.01857	5.6
169.01299	1.0
172.05199	0.6
173.02351	2.3
174.99150	2.1
177.01796	1.4
183.04439	1.6
184.05197	2.4
187.03935	0.8
188.04735	1.0
199.04050	2.8
200.04759	2.2
211.03970	2.8
211.16431	0.5
212.04686	3.6
214.02505	0.9
217.00258	7.6
225.11240	1.0
227.03441	11.3
228.04242	8.5
239.03474	1.9
240.04271	0.6
241.05144	0.8
255.03017	6.0
256.03754	87.8
257.04083	6.8
266.02231	1.0
269.04480	0.6
271.06113	33.7
272.06549	3.0
283.02621	0.6
284.03281	16.9
284.06534	1.1
285.03604	1.6
299.05612	100.0
299.25888	1.2
300.05978	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Koparin
Peak:m/z	Relative Intensity
50.47445	0.3
51.93609	0.3
59.01307	1.0
63.02318	0.6
63.61374	0.3
63.94532	0.3
65.00252	0.7
71.04984	0.4
71.57990	0.5
83.01321	0.6
91.01840	1.0
107.01334	1.1
108.02120	0.5
123.04472	0.7
133.02911	0.6
135.00790	1.8
138.05528	0.3
145.02905	0.4
148.01570	8.3
149.02373	0.3
150.03207	1.3
151.00293	1.7
152.98636	0.3
153.01884	0.9
156.39557	0.3
158.03690	1.4
161.02393	0.3
163.11176	0.4
165.05569	0.8
169.01436	0.4
170.03737	0.6
171.04449	0.8
172.05197	0.4
176.01158	1.3
178.99911	0.3
182.99873	0.3
183.04427	2.4
184.05228	0.4
185.02441	0.3
186.03288	0.5
187.03941	0.3
188.04825	0.5
193.05009	1.6
195.04482	1.2
196.05162	0.6
197.02336	0.3
199.03964	2.8
200.04715	2.3
201.02034	0.4
207.10188	0.5
209.11852	0.7
210.03185	0.5
211.03955	5.6
211.13412	0.4
212.04732	2.9
213.01945	0.3
214.02718	0.6
215.03554	0.5
223.04016	1.1
225.11302	1.5
226.02686	0.4
227.03458	12.1
228.04144	1.7
229.01543	0.4
239.03485	4.3
240.04366	1.8
242.02150	0.8
243.02959	1.0
255.02991	9.7
256.03738	4.1
267.02899	2.2
271.02505	4.6
283.02475	7.7
284.03275	100.0
285.03610	7.4
299.05609	87.3
300.02673	2.6
300.05972	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	299.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02824	0.4
59.01231	0.6
63.02275	0.4
65.00205	0.4
71.58633	0.3
83.01246	0.4
91.01761	0.8
96.75826	0.2
107.01268	1.0
108.02026	0.3
123.00826	0.2
132.04425	0.3
133.02823	0.2
133.11230	0.2
134.23987	0.2
135.00787	1.4
137.02179	0.2
145.02872	0.3
146.03525	0.2
148.01563	6.9
150.03096	1.2
151.00284	1.0
153.01820	1.0
156.05682	0.2
158.03624	1.1
167.04857	0.2
169.01344	0.2
170.03680	0.4
171.04366	0.2
172.05289	0.5
173.02403	0.2
174.99117	0.2
176.01077	1.5
182.03577	0.2
183.04440	1.9
184.05148	0.5
187.03835	0.2
188.04744	0.4
195.04453	0.9
196.05179	0.3
198.02939	0.3
199.03937	1.9
200.04698	2.2
207.10187	0.2
210.36287	0.2
211.03941	4.6
212.04741	2.1
213.01997	0.4
213.05153	0.2
214.02612	0.8
215.03391	0.4
216.04201	0.6
217.00209	0.4
223.03970	1.0
227.03464	11.1
228.04094	1.8
239.03490	3.7
240.04118	1.0
242.02177	0.5
255.02968	8.1
256.03726	4.1
257.04135	0.4
267.03036	1.9
283.02493	7.4
283.05591	0.4
284.03265	100.0
285.01007	0.1
285.03589	6.8
299.05615	57.8
300.05957	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09151	0.6
59.01247	2.0
63.53195	0.7
65.00200	3.4
68.99688	0.7
79.07087	0.6
93.03366	1.2
98.19753	1.6
110.00003	2.7
117.40484	0.7
117.87523	0.7
118.42941	0.6
121.99977	1.8
123.00793	1.7
135.00771	6.8
137.02315	0.7
147.00754	0.7
148.01576	8.3
149.99506	9.0
150.03114	1.2
151.00288	0.9
153.01738	0.7
165.01839	3.1
169.06538	1.5
171.04431	3.4
176.01054	3.1
183.02867	2.0
183.04385	1.5
185.06001	0.8
187.03932	1.1
195.04407	1.5
196.05182	1.0
197.06013	1.5
199.03943	2.2
200.04703	1.7
201.05537	1.0
211.03947	5.6
212.04706	2.9
213.05519	25.4
214.05905	1.5
217.00256	2.3
223.03935	1.3
225.05498	1.9
227.03491	10.9
227.06976	1.7
228.04173	1.8
228.07816	2.8
229.41139	1.1
239.03461	4.0
240.04343	3.6
241.05072	8.5
255.02977	9.8
255.06606	4.1
256.03732	5.3
256.07275	2.2
257.04559	0.8
260.06842	0.9
267.03015	2.0
269.04553	22.8
270.04892	1.9
283.02408	7.9
284.03271	99.8
284.06873	60.6
285.03607	7.0
285.07254	4.8
299.05594	100.0
299.09241	73.3
300.05917	7.6
300.09570	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	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97910	1.0
59.01252	13.6
70.02844	1.5
71.01260	15.4
74.94082	1.2
88.03918	100.0
96.99197	4.5
108.37520	1.0
114.01858	5.0
115.00273	23.1
132.02924	7.1
156.53554	1.3
159.17728	1.2
161.02171	1.2
174.99113	2.9
182.15421	3.1
183.13835	21.1
185.51147	1.1
211.03928	1.1
212.04292	1.5
217.00214	11.8
217.02078	1.3
236.16551	2.9
240.03719	3.5
254.17586	26.7
255.06136	2.4
255.17984	1.5
268.03433	1.1
280.15393	4.2
283.05829	7.0
284.03232	3.4
298.04810	2.7
298.08038	5.0
298.16592	64.4
298.24478	3.3
299.05664	4.5
299.09109	1.7
299.16910	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26242	0.3
63.02237	1.2
65.00195	0.4
66.08720	0.3
83.01249	0.6
97.56857	0.3
104.02558	0.4
107.01295	1.6
125.02277	0.4
128.97122	0.3
132.02034	0.7
133.02831	0.5
134.03639	0.5
148.01505	1.0
151.00279	2.6
172.05135	0.5
176.01012	0.4
181.45065	0.3
183.04410	0.6
184.05203	0.4
187.03873	0.3
188.04697	0.3
199.03944	0.8
200.04745	0.8
211.03935	1.7
212.04619	0.8
214.02754	0.3
216.04201	0.3
227.03439	3.2
228.04106	0.9
239.03473	0.9
255.02997	2.6
256.03760	19.9
257.04083	1.3
257.38574	0.3
283.02475	1.4
284.03268	100.0
285.03625	6.0
290.32132	0.3
299.05615	57.1
300.05945	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
59.01252	100.0
64.72785	2.7
70.89948	7.1
71.01258	57.5
72.99168	6.1
73.02816	6.3
75.50862	2.7
83.01294	3.0
85.02816	13.7
89.02322	63.8
93.03327	3.2
93.95087	2.8
95.01257	3.4
101.02323	37.7
113.02338	19.4
119.03403	29.3
135.06516	16.7
143.03358	3.5
148.23543	2.8
161.04485	15.8
165.91907	2.9
179.05490	11.4
189.83090	2.8
237.09778	9.0
282.05420	4.5
297.04794	3.2
297.11880	21.7
297.24304	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.58291	0.6
54.70494	0.5
59.01255	3.9
65.17857	0.4
69.30441	4.6
70.47178	0.4
71.01259	2.3
85.02832	0.6
89.02306	2.1
101.02351	1.2
104.51855	0.5
113.02339	0.8
119.03407	1.2
119.04840	0.5
121.85579	0.5
125.09595	0.8
127.11190	2.2
130.35226	0.6
135.06598	0.6
171.10193	10.4
183.01147	6.1
184.01765	0.9
234.41264	0.5
239.03416	1.6
254.05782	1.0
267.03131	0.6
279.23322	11.4
280.23724	0.8
282.05286	3.0
295.22577	0.8
297.07794	2.3
297.11893	1.2
297.15305	13.4
297.24353	100.0
298.15533	1.5
298.24734	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	297.0769
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.02008	0.3
59.01233	1.2
59.59579	0.3
64.12919	0.3
69.54404	2.4
70.97079	0.3
71.01229	0.5
88.03919	4.5
89.02311	0.6
93.03357	0.3
98.19793	0.5
101.02268	0.4
117.03353	1.2
118.02087	0.3
121.02866	0.5
125.29285	0.3
128.04543	0.3
132.02083	1.1
133.02823	0.4
135.06534	0.3
143.04951	0.6
147.00676	0.6
155.04948	1.2
167.04919	1.9
182.03705	0.7
183.04495	3.6
195.04451	5.8
196.04784	0.3
205.63519	0.3
210.03108	0.6
211.01897	0.5
211.03943	11.1
212.04335	0.8
222.42882	0.3
223.03979	4.5
223.13257	0.4
224.04605	0.3
236.16586	0.5
236.93805	0.3
238.02687	0.8
239.03465	31.7
240.03810	2.0
254.05722	0.6
266.02283	0.4
267.02985	43.8
268.03314	3.0
269.04544	1.5
280.15594	0.5
282.05341	100.0
283.05658	7.1
297.04108	3.8
297.07623	25.9
297.24396	2.2
298.04575	0.6
298.08011	1.8
298.16571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.113
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.01757	2.2
57.03325	5.9
59.01249	2.2
68.99694	1.0
69.35030	0.7
69.35434	3.2
71.01255	1.2
75.62897	0.3
79.01765	16.3
79.05414	0.6
79.95624	0.4
87.04382	1.3
89.02297	0.8
89.30405	0.3
95.54512	0.3
98.19772	0.7
101.02321	0.6
103.98676	0.4
109.02844	1.4
113.02363	0.8
119.04930	0.8
119.66859	0.4
121.06482	1.1
124.29067	0.3
125.05942	0.9
129.98520	0.3
131.04895	0.4
147.04411	1.1
149.05997	14.3
150.03123	1.5
150.06212	0.4
159.08083	1.1
161.04527	0.4
161.05957	1.0
161.23308	0.4
166.06310	1.2
167.07059	3.8
170.00369	0.6
171.04443	4.9
173.09622	1.6
178.02654	1.7
183.01144	21.8
183.08070	2.4
184.01439	0.7
191.03557	0.5
193.04994	15.3
194.05267	0.8
195.04414	0.8
195.08037	0.4
197.02773	0.9
197.09625	0.7
200.08357	0.7
211.03970	0.4
211.11192	2.0
216.01076	0.5
225.05733	0.4
225.12804	0.5
226.63731	0.4
239.03479	1.5
253.12312	10.6
254.05927	0.9
254.12610	1.0
255.10248	1.0
267.03012	0.4
279.10367	0.4
282.05344	4.0
282.08469	0.8
297.11322	100.0
297.15237	34.1
297.24301	3.0
298.11636	8.5
298.15564	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	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72424	0.3
58.81909	0.3
59.01249	0.8
70.43610	0.5
70.43967	0.9
71.01286	0.5
75.91544	0.3
107.01266	0.5
123.04533	0.3
132.02084	0.9
141.03352	0.5
143.04985	0.8
146.03647	0.3
147.04411	0.9
149.02335	0.7
151.00314	1.4
155.04944	2.0
159.47403	0.3
167.04916	1.8
171.04379	0.4
173.06044	0.6
182.03632	0.5
183.04462	4.9
184.04744	0.5
186.03241	0.3
190.02599	0.6
191.03435	12.6
192.03728	0.4
195.04460	17.5
196.04816	0.9
210.03249	0.6
210.06877	0.8
211.03960	15.4
211.09618	0.6
212.04343	1.2
223.03961	3.3
223.14790	0.3
225.05484	0.8
238.02679	0.9
239.03474	61.0
240.03810	3.2
253.05058	0.5
254.05835	29.4
255.02989	0.8
255.06169	1.9
266.02133	1.4
267.02982	13.2
268.03351	0.7
281.04575	1.1
282.05338	100.0
283.05655	7.3
297.07678	63.5
297.16983	0.4
297.24258	1.4
298.04858	0.7
298.07962	5.2
298.16779	0.3
305.51794	0.3
307.37479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45535	1.0
132.02057	1.0
143.04919	1.1
143.51567	0.5
144.47139	0.5
155.04948	2.0
167.04950	2.3
173.05997	0.7
177.41847	0.5
183.04456	4.7
195.04451	17.5
196.04829	0.7
210.03210	0.6
211.03966	14.7
212.04292	0.7
223.03940	2.8
225.05571	1.5
238.02718	1.8
239.03474	66.3
240.03836	3.5
253.04990	0.9
254.05836	30.4
255.06148	1.9
266.02234	1.4
267.03018	13.3
268.03314	0.7
281.04572	1.1
282.05350	100.0
283.05759	5.2
297.07693	73.5
298.08060	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	297.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76763	0.3
56.92593	0.3
59.01252	2.2
63.02264	0.7
63.63033	0.3
65.00195	1.0
71.01258	1.0
73.63112	0.3
79.30724	0.4
83.01221	0.4
85.02821	0.5
89.02331	0.6
89.03829	0.5
91.01774	10.1
93.03320	2.9
95.01298	0.9
98.19813	0.7
101.02378	0.5
106.69713	0.3
107.01272	0.6
108.02097	0.4
109.02817	1.8
117.03370	1.1
119.03552	0.4
121.02837	0.6
131.59497	0.3
132.02055	1.1
133.02856	5.4
135.00761	4.6
135.04437	0.7
139.05475	1.0
141.03365	0.5
143.04919	0.8
145.02863	0.7
147.00804	3.5
148.01608	0.4
149.02338	2.5
151.00226	0.5
153.01851	5.1
153.07004	0.7
155.04890	1.2
157.02884	0.5
157.06529	0.5
158.03581	0.5
159.04422	1.0
161.02380	2.9
163.03923	0.4
167.04976	1.4
169.06453	1.7
171.04433	1.1
175.00334	1.3
175.03918	1.1
176.01108	0.4
176.21063	0.4
177.01880	2.4
180.05716	1.9
181.06519	3.2
182.03680	1.5
183.04425	3.7
185.02357	1.0
185.06032	0.5
195.04448	4.4
196.05206	2.2
197.06026	5.3
198.03191	1.4
199.03951	3.1
199.13293	0.5
200.04602	0.4
201.01866	0.9
201.05473	1.5
205.01306	0.4
207.04460	4.5
210.03152	0.7
211.03973	4.3
212.04620	0.8
213.05496	1.5
223.03993	3.2
224.04738	5.5
225.05551	15.8
226.02644	0.9
226.05928	1.3
227.03424	2.6
229.05110	0.6
239.03482	8.4
240.04108	1.6
241.04993	3.8
251.03510	1.6
253.05074	2.9
254.05826	3.8
267.03006	3.5
268.03784	7.6
269.04550	30.6
270.04913	2.2
282.05341	11.1
283.05743	1.0
295.02298	0.5
297.04089	100.0
297.07596	8.1
297.24393	3.2
297.27533	0.7
298.04456	8.0
298.07770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
52.18008	0.2
56.54874	0.3
64.80355	0.2
68.39745	0.2
69.46407	1.3
69.46835	1.0
73.66047	0.2
86.82542	0.3
98.20567	0.5
132.02039	0.8
141.35553	0.3
143.04916	0.9
155.04938	2.2
167.04942	1.6
173.05991	0.4
175.00423	0.3
182.03719	0.5
183.04431	4.7
184.04781	0.5
186.03194	0.3
186.74612	0.3
195.04446	17.3
196.04794	1.0
201.05722	0.2
201.08560	0.3
210.03136	0.9
210.06714	1.2
211.03954	14.3
212.04355	1.3
215.03433	0.3
223.03967	3.2
225.05594	1.0
226.02580	0.3
226.06006	0.3
238.02646	1.2
239.03467	58.1
240.03827	4.5
253.05003	0.6
254.05830	27.9
255.06155	2.3
266.02246	0.9
267.02975	11.6
268.03275	0.9
281.04504	1.1
282.05341	100.0
283.05673	7.4
297.07675	77.9
298.07999	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03322	1.4
59.01250	4.0
69.03320	1.2
71.01250	1.4
71.04910	0.7
71.22845	0.6
71.57417	0.8
71.57834	0.8
99.08037	0.7
121.10133	0.8
125.09563	1.1
127.11182	0.9
171.10194	51.6
172.10547	2.3
193.75682	0.6
195.13808	1.5
214.17259	0.8
233.22781	0.7
277.18491	1.4
277.21735	67.7
278.22040	6.0
295.22784	100.0
296.23035	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01240	3.5
62.78022	0.8
69.93886	4.2
95.94637	0.7
110.68211	0.7
113.09604	3.2
137.70192	0.8
179.14404	0.9
183.13794	3.4
195.12048	1.4
195.13849	29.7
196.14221	1.8
251.23811	1.0
277.21725	30.2
278.22064	2.3
295.22784	100.0
296.23154	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03312	1.2
59.01255	2.8
59.63340	0.4
69.25225	0.4
69.43554	1.3
69.43982	2.1
71.01251	0.5
74.79760	0.3
83.04865	0.5
88.52043	0.4
97.06470	0.6
99.08056	0.4
113.09615	2.3
177.12839	0.8
179.14348	0.9
195.13846	21.3
196.14163	1.5
204.42711	0.4
251.23709	0.5
259.20682	0.5
275.20007	0.4
277.21732	20.4
278.22076	1.7
295.22787	100.0
296.23117	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01255	2.8
59.63340	0.4
69.25225	0.4
69.43554	1.3
69.43982	2.1
71.01251	0.5
74.79760	0.3
83.04865	0.5
88.52043	0.4
97.06470	0.6
99.08056	0.4
113.09615	2.3
177.12839	0.8
179.14348	0.9
195.13846	21.3
196.14163	1.5
204.42711	0.4
251.23709	0.5
259.20682	0.5
275.20007	0.4
277.21732	20.4
278.22076	1.7
295.22787	100.0
296.23117	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	297.0406
Annotation	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
59.01225	0.8
63.02271	4.3
64.99899	0.2
65.00195	2.2
69.27079	1.3
69.27500	1.3
71.01262	0.3
83.01233	0.3
89.00215	0.6
89.02339	0.3
91.01770	2.3
95.01224	0.4
101.02302	0.4
102.66380	0.2
104.86883	0.2
107.01277	2.8
117.03340	0.6
119.04880	0.5
123.04407	0.6
132.02037	0.9
133.02856	7.4
135.00751	1.1
135.04407	2.0
135.06488	0.4
141.03259	0.3
143.04866	0.5
151.00261	1.3
153.01828	0.4
154.04190	0.4
155.04907	0.8
156.05750	0.3
157.02802	1.2
158.03542	0.4
159.04433	3.4
161.02359	1.8
163.03894	0.6
167.04942	1.0
169.06549	1.5
171.04390	0.9
173.05940	0.7
176.01003	0.3
180.05756	2.1
181.06508	2.2
182.03661	0.5
183.04440	2.7
187.03957	0.3
195.04401	1.6
196.05145	1.9
197.06038	2.0
199.03970	1.3
201.05528	2.1
207.28032	0.2
211.03978	2.7
212.04539	0.3
213.05533	1.0
223.03900	1.1
224.04721	2.4
225.05528	1.9
226.02654	0.3
227.03462	0.5
239.03464	3.8
240.04132	1.3
241.05022	2.6
242.05469	0.3
254.05763	1.0
267.03012	3.4
268.03772	4.4
269.04547	40.8
270.04941	2.9
282.05331	3.2
295.02499	1.6
297.04050	100.0
297.24432	1.6
298.04388	8.2
298.07553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
51.85799	1.1
59.01248	6.1
66.45338	1.1
71.01249	2.0
89.02312	1.6
98.19737	1.8
147.96329	1.0
209.15428	26.5
210.15767	2.1
223.16991	36.7
224.17429	1.4
229.65982	1.2
277.21744	48.2
278.22006	3.5
293.21072	1.3
295.22797	100.0
296.22980	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03304	1.4
59.01245	2.6
69.25816	8.6
76.26280	0.7
98.69488	0.6
109.81995	0.7
113.09586	1.7
125.09612	0.9
169.83075	0.8
171.10179	28.8
172.10620	1.3
177.12924	0.8
183.10176	2.4
195.13863	10.9
196.14082	0.9
211.65984	0.8
247.84866	0.8
254.60716	0.7
277.21719	44.0
278.22052	4.3
295.22784	100.0
296.23093	8.0
313.16190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01235	2.6
62.36874	0.9
68.14272	0.8
70.81184	2.1
71.01243	0.9
80.68468	0.8
94.14155	0.8
104.54253	0.9
111.60855	0.8
125.09682	1.8
141.12776	1.3
155.14105	1.0
162.30460	0.8
171.10185	54.1
172.10555	2.7
183.10243	3.7
185.11794	0.9
195.13855	3.0
233.22708	1.4
277.21725	69.6
278.22040	5.5
295.22791	100.0
296.23141	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	295.2279
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03303	1.7
59.01251	7.0
62.71765	1.1
70.90745	2.1
70.91094	2.6
71.01250	2.8
87.08524	1.3
111.08049	2.1
113.09608	3.6
157.08611	78.0
158.08925	2.2
175.18816	1.6
183.01047	1.3
195.13858	1.8
277.21719	58.9
278.22018	5.6
295.22784	100.0
296.23108	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.47925	0.3
54.34600	0.2
57.03308	0.7
59.01255	2.2
68.36877	0.3
69.24049	3.0
71.01255	0.3
83.04893	0.5
97.06466	0.5
113.09604	2.1
126.21303	0.3
171.10136	1.5
177.12772	0.9
179.14325	0.9
181.12245	0.6
195.13834	20.4
196.14159	1.0
214.72304	0.3
233.22768	0.4
259.20596	0.4
277.21719	20.5
278.22070	1.8
295.22772	100.0
296.23132	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.43042	0.6
59.01236	2.5
61.34686	0.6
96.95906	0.7
98.19820	1.5
98.95448	2.4
108.42050	0.7
109.06493	1.1
127.11181	0.9
141.12758	8.2
151.82535	0.7
155.14326	3.3
161.05859	0.9
167.70374	0.8
229.25305	0.9
249.22258	8.7
250.22618	0.8
262.61258	0.7
277.21713	2.0
283.70496	0.7
295.17395	2.5
295.22778	100.0
296.23154	8.4
305.90555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.40925	0.3
54.75206	0.4
57.03322	2.7
59.01257	1.9
60.56506	0.4
70.04025	1.9
71.01257	1.3
85.02827	0.4
93.03326	0.5
97.06467	1.2
98.19942	0.5
107.33653	0.4
112.43384	0.4
113.09612	3.7
113.24097	0.4
115.40736	0.4
121.10115	0.5
123.08012	0.6
125.09598	4.1
125.28078	0.4
139.11143	0.7
141.11729	0.4
141.12740	1.3
149.09612	1.5
156.13835	0.8
157.14195	1.0
157.71677	0.5
164.56494	0.4
166.42299	0.4
167.10689	0.4
171.10217	0.6
177.09088	0.4
178.25076	0.3
179.10614	0.5
185.11748	9.4
192.11421	0.6
195.13831	0.9
197.11771	2.6
200.32866	0.4
205.12254	1.0
208.29716	0.4
220.14613	4.0
221.15411	9.2
222.15767	0.8
236.10500	6.5
249.22134	1.6
275.20135	1.9
293.21213	100.0
294.21567	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.2
57.03302	0.2
59.01249	0.8
71.01241	0.5
80.96395	0.2
83.01263	0.5
83.04900	0.3
93.03338	7.1
95.04915	0.4
96.95913	0.3
106.04131	0.6
107.04887	0.4
109.06448	0.2
111.00768	1.0
113.02345	0.4
117.03334	0.4
119.04936	2.4
121.02803	0.2
123.04424	1.5
130.04109	0.4
131.04953	2.0
132.02142	0.3
132.05717	8.0
133.02834	0.7
133.06499	18.8
134.03603	0.6
134.06847	0.6
135.04456	0.4
143.04893	0.3
146.03632	0.4
147.04396	0.3
149.05945	0.4
159.04538	0.3
160.05215	0.8
161.05998	100.0
162.06346	4.3
163.03911	1.5
175.03902	0.4
177.05559	0.2
187.04041	0.4
189.12773	0.8
203.07091	0.2
205.05014	7.6
206.05299	0.5
223.06093	0.4
247.06148	0.3
251.09216	4.9
251.12924	0.9
252.09499	0.2
295.08267	10.8
295.11530	0.5
296.08524	0.9
296.11493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19756	0.6
57.03311	0.8
59.01252	3.2
70.80043	0.5
71.01249	1.9
83.04872	0.5
85.02813	0.5
95.04922	0.7
98.19822	1.1
111.08074	0.9
113.09615	1.5
121.10115	0.9
125.09637	0.6
136.08846	1.6
136.22476	0.5
151.11191	0.8
171.10178	1.8
177.12848	0.7
179.14340	1.7
192.11502	1.6
193.15939	3.5
194.92694	0.6
195.13857	14.7
196.14218	0.9
205.12248	1.4
205.16011	0.7
211.13400	0.9
220.14674	3.8
221.15430	6.0
222.15851	0.6
223.11337	0.9
223.13358	10.1
228.13588	1.4
231.21217	0.9
236.10493	4.5
237.10966	0.7
249.18465	1.1
256.13101	2.9
265.21686	1.0
275.20142	10.3
293.21225	100.0
294.21515	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67409	1.0
59.01247	2.6
68.10535	1.2
69.39772	4.8
69.40199	5.7
76.75592	1.1
98.19825	2.0
121.10117	54.8
122.10473	1.1
124.82078	1.1
125.09578	2.8
143.89163	1.2
171.10185	94.5
172.10550	2.0
177.16391	1.6
183.13823	2.0
185.11700	4.3
211.13383	1.5
231.21170	5.2
235.17047	1.4
259.40924	1.2
275.20151	100.0
276.20407	6.8
293.21216	69.5
294.21536	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58221	0.4
50.79577	0.4
59.01237	2.0
61.63382	0.5
68.24648	0.5
80.44186	0.5
98.20603	0.8
98.76038	0.5
113.09622	0.7
115.72850	0.5
171.10130	0.6
177.12779	0.5
179.14352	1.9
181.12273	0.6
195.13840	16.8
196.14569	2.5
205.12236	1.5
205.16063	0.6
211.13293	1.4
218.77844	0.5
223.13347	14.2
224.13899	1.1
228.13664	1.6
229.68739	0.7
231.21149	0.6
239.12900	0.6
247.53586	0.6
256.13184	4.4
265.21793	0.8
265.83527	0.5
275.20175	12.3
276.20544	1.3
293.21228	100.0
294.21555	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.7
59.01255	2.5
59.24910	1.0
60.40087	1.1
69.50720	3.8
69.51157	5.2
95.69580	1.1
98.19795	2.3
101.50980	1.1
113.09611	18.4
121.10133	3.4
139.11159	1.4
141.10194	1.4
150.30583	1.1
156.74881	1.0
167.10623	2.0
171.10155	6.6
179.10719	1.6
195.13811	3.7
235.16942	1.5
249.22197	2.8
275.20108	9.9
293.21222	100.0
294.21539	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
59.01250	2.4
68.10514	0.3
83.04843	0.4
85.06493	0.4
97.06464	1.3
101.28144	0.4
113.09630	0.7
120.75942	0.3
121.10116	0.7
123.08089	0.9
125.09614	5.2
139.11073	0.3
141.12755	1.1
149.09641	1.8
171.10159	1.1
183.13823	1.6
185.11765	9.6
186.12093	0.4
195.13818	0.7
196.14462	0.3
197.11766	2.5
211.13300	0.6
220.14622	0.4
221.15327	0.8
223.13400	0.7
229.48784	0.4
249.22226	0.8
275.20166	2.4
293.21231	100.0
294.21564	8.6
294.72641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83002	0.8
57.03331	1.2
69.78721	5.1
83.04829	1.0
98.20569	1.0
113.09617	1.6
115.85127	1.0
139.11174	3.3
145.47806	0.9
153.12741	2.6
191.17923	2.4
201.53404	0.9
211.38475	1.0
221.15439	2.4
229.19556	1.2
247.20662	2.8
275.20126	1.3
293.21231	100.0
294.21536	8.3
303.48026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32085	0.3
59.01256	0.4
65.95390	0.2
70.01299	0.8
70.01698	0.5
71.01260	7.7
75.68589	0.2
82.34691	0.3
83.29655	0.3
98.84643	0.3
100.72765	0.2
116.34642	0.3
118.95810	0.3
121.10075	0.4
127.07552	0.8
132.25211	0.3
148.05180	1.8
151.07524	0.6
164.08362	2.1
171.10146	0.9
177.09126	6.4
190.09949	0.6
192.11505	7.3
193.11961	0.7
195.13823	0.8
205.12299	9.1
206.12669	0.5
207.13794	1.4
217.08612	0.7
218.09445	1.7
220.14648	51.5
221.15422	100.0
222.15773	6.3
223.13403	0.7
235.13377	1.5
236.10509	63.8
237.10931	4.3
253.14577	0.4
256.13196	0.5
275.20071	1.0
293.17587	5.2
293.21225	8.2
294.21536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.38770	0.5
57.03331	0.7
58.12919	0.6
59.01237	2.4
69.03308	0.9
70.46152	1.7
71.01268	1.0
90.21690	0.6
97.35604	0.5
111.08062	1.8
113.09613	0.9
177.12711	0.8
179.14346	0.9
195.12068	0.8
195.13860	15.2
196.14211	0.7
205.12347	0.8
205.15979	1.4
208.08974	0.6
211.13365	0.8
220.14583	0.7
221.15434	1.2
223.13365	9.5
228.13518	1.6
256.13181	2.7
256.36261	0.7
265.21744	1.2
275.20169	9.4
276.20337	0.8
293.21231	100.0
294.21582	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01249	2.1
69.03316	0.4
71.01252	1.1
71.29220	0.3
71.44027	0.4
72.71859	0.4
88.50511	0.3
89.02300	0.5
90.29163	0.3
97.06472	0.4
97.88353	0.4
101.02374	0.4
111.08039	1.3
113.09589	1.2
121.10136	0.6
136.08813	2.1
148.57951	0.4
167.10666	0.5
171.10165	1.3
177.09122	0.4
177.16483	0.4
179.10576	0.4
179.14340	1.4
181.12349	0.5
192.11427	1.3
193.15887	4.3
195.13834	16.3
196.14406	1.1
205.12247	1.2
205.15941	0.8
211.13341	1.2
220.14661	2.1
221.15381	4.9
223.13356	9.6
224.13832	0.9
228.13660	2.2
231.21088	0.8
235.16916	0.5
236.10477	3.1
237.10800	0.4
238.26320	0.4
239.12944	0.6
249.18629	1.8
249.21811	0.6
256.13153	3.1
265.21707	0.9
275.20139	10.6
276.20264	0.6
293.21210	100.0
294.21545	8.7
297.98901	0.4
313.15942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83763	0.6
57.19096	0.6
59.01252	1.8
68.02398	1.0
71.01248	1.5
71.57672	1.2
89.97339	0.6
120.82800	0.7
139.08386	0.7
149.29353	0.6
152.11571	0.7
156.13853	100.0
157.14180	2.7
157.59711	0.7
177.09154	0.6
200.12924	5.4
205.12256	1.1
220.14673	4.1
221.15440	8.2
236.10538	6.4
236.16556	0.8
274.18912	1.2
292.20023	22.7
293.17850	1.3
293.21170	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	293.1033
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
50.21878	1.7
51.35492	2.1
52.94298	1.7
56.34845	1.9
57.03311	5.6
58.58485	1.8
59.01254	5.6
59.48456	1.9
67.01758	2.1
67.75671	1.8
69.03310	4.8
71.01241	6.7
73.02810	2.1
79.05386	4.2
80.96392	10.2
81.03336	2.1
83.04894	4.6
85.02824	6.5
87.00755	2.0
89.02322	2.2
90.91414	1.8
90.92452	1.9
93.03323	4.8
95.04902	15.5
96.95882	4.4
97.02833	23.4
98.19807	7.3
99.04404	2.6
107.04891	6.9
108.02051	4.1
109.02847	12.8
109.06494	10.1
110.95947	1.8
111.04398	25.4
111.08033	5.6
113.02301	4.4
117.80521	2.0
121.06464	8.8
122.03628	71.5
123.04450	4.7
124.05193	35.6
125.05981	4.6
128.72816	2.0
135.04442	14.5
135.07977	2.6
136.05191	6.1
137.05995	28.0
137.09547	2.1
138.06792	20.4
139.07552	100.0
140.07909	2.9
145.10153	4.2
147.03276	2.2
147.08090	2.9
149.06013	3.1
157.06508	4.5
163.07552	3.0
163.11172	6.5
169.12213	2.7
171.08095	17.2
175.07523	3.4
177.12817	3.2
185.09636	3.1
187.11226	80.0
188.11551	5.6
189.09158	4.5
190.09972	13.3
191.10185	2.1
203.10869	2.0
205.12279	54.7
209.51512	2.0
211.13365	6.1
221.15193	2.3
231.10255	15.9
249.11243	27.2
293.07010	4.4
293.10297	37.4
293.21143	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03544	1.8
56.98880	2.0
57.03313	2.4
59.00952	2.8
59.01254	51.4
67.99548	2.0
71.01250	35.4
72.99191	2.8
85.02836	12.5
85.06467	26.8
88.03880	2.4
89.02323	29.8
95.01254	4.5
98.19762	4.7
101.02321	23.4
110.45679	2.1
113.02316	11.2
113.05949	7.2
115.00255	2.3
117.03389	2.5
119.03366	11.4
127.07523	2.6
131.07037	100.0
132.02904	3.9
132.07417	2.2
142.73369	2.3
145.02901	2.8
147.02895	2.2
179.05417	3.0
229.23007	2.4
274.98242	2.0
293.12430	96.2
294.12854	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	291.2331
Annotation	16beta-Hydroxysteroid
Peak:m/z	Relative Intensity
57.03322	12.2
58.00472	8.3
59.01249	4.9
69.03332	1.9
71.01256	3.0
73.02818	27.2
73.35228	1.9
83.04895	4.9
84.02039	10.3
85.02813	1.8
87.04430	1.8
95.04884	2.6
97.06475	5.7
98.19714	4.4
101.05920	2.1
107.05006	1.5
109.06495	4.2
111.08038	4.3
113.05968	1.8
113.19317	1.7
121.10173	2.0
125.05946	4.2
125.09623	6.9
127.11150	2.0
137.09633	2.8
139.07567	4.8
151.11186	1.7
153.09158	2.3
153.12766	2.1
163.11182	3.7
165.12671	2.4
193.28497	1.7
230.26216	2.0
247.20734	4.9
255.21198	4.8
255.31755	1.6
261.22293	3.9
263.23694	11.3
273.19025	3.2
273.22229	22.5
289.21704	2.1
291.09180	14.8
291.16360	3.8
291.19696	62.3
291.23315	100.0
292.19965	6.0
292.23615	7.9
304.50900	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	292.1919
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
55.83763	0.6
57.19096	0.6
59.01252	1.8
68.02398	1.0
71.01248	1.5
71.57672	1.2
89.97339	0.6
120.82800	0.7
139.08386	0.7
149.29353	0.6
152.11571	0.7
156.13853	100.0
157.14180	2.7
157.59711	0.7
177.09154	0.6
200.12924	5.4
205.12256	1.1
220.14673	4.1
221.15440	8.2
236.10538	6.4
236.16556	0.8
274.18912	1.2
292.20023	22.7
293.17850	1.3
293.21170	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	289.1809
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
57.03316	1.2
59.01250	1.7
65.03838	2.2
69.80766	0.7
81.85043	0.7
97.06470	3.0
98.19780	2.0
119.08559	82.6
119.97512	0.7
120.08898	2.6
123.08071	1.8
125.09616	14.6
127.07574	0.7
135.08739	0.7
140.77484	0.8
145.06503	1.7
145.67378	0.7
159.08034	0.8
160.08850	4.6
189.16370	0.9
227.18143	0.9
229.81151	1.2
233.15446	26.6
234.15790	2.3
245.19019	1.5
271.17133	1.9
289.18103	100.0
290.18384	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01755	0.8
56.44499	0.9
59.01250	3.2
61.63519	0.9
69.03316	0.9
71.04893	16.4
74.81081	1.0
95.56711	0.8
97.06464	7.7
98.19781	1.8
107.08604	1.0
108.46184	0.8
109.06485	1.7
112.51318	1.0
123.08057	3.2
129.55914	0.8
154.28505	0.7
161.13361	0.9
191.14432	0.9
196.51317	0.8
204.44379	0.9
229.24655	1.0
233.15511	1.4
242.59514	0.9
245.19109	4.6
269.12708	0.9
271.17123	1.0
289.18109	100.0
290.18408	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.37882	1.0
64.18721	1.1
71.33866	2.6
73.48335	1.1
78.28935	1.1
101.11002	1.3
105.26685	1.4
120.07908	1.3
121.07099	1.3
128.78712	1.3
138.90508	1.2
148.08847	1.4
165.12761	23.4
247.20616	13.5
273.18726	6.1
291.19666	100.0
292.20026	6.2
292.23004	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.8
59.01242	2.7
68.93596	0.7
69.29051	8.6
91.24802	0.7
98.19775	1.6
111.08029	13.5
113.09621	1.0
115.54402	0.9
135.11673	0.9
137.09596	1.0
156.38528	0.7
158.59871	0.8
165.12703	1.0
167.10690	2.6
177.12715	2.1
179.10727	2.3
181.94495	0.8
195.13850	7.5
247.20668	3.1
273.18713	1.7
291.19666	100.0
292.20059	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12243	0.5
54.63030	0.5
57.03308	1.4
63.03878	0.5
65.09183	0.5
67.43615	0.5
69.03306	0.6
71.06229	1.5
93.06985	1.7
95.04916	0.5
97.06468	1.5
98.95190	0.5
111.08045	0.9
111.40070	0.5
119.51762	0.5
121.10126	13.0
123.08051	0.6
125.09628	6.2
141.12764	1.2
156.76038	0.5
163.11159	0.8
182.27362	0.5
185.11754	16.5
186.12128	0.7
197.11751	3.6
209.11740	1.6
211.13347	1.5
223.13286	1.2
247.20728	1.5
273.18549	2.4
291.19659	100.0
292.16812	1.1
292.19965	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.00703	0.3
59.01246	0.5
60.67067	0.3
71.57581	0.5
73.02821	62.1
74.03156	1.0
98.17912	0.3
105.44093	0.4
119.28332	0.3
121.02863	0.7
165.12784	0.4
209.04622	0.5
238.13480	0.3
247.20699	0.4
265.84415	0.4
273.18567	0.4
291.19666	100.0
292.19998	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	291.1966
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01233	5.2
73.02813	5.7
97.06466	100.0
101.93511	2.5
121.02820	5.2
165.12770	4.4
171.10196	2.6
176.21849	2.1
183.13800	6.3
185.63960	2.2
193.12279	27.7
194.12904	4.3
198.39697	2.0
211.13345	69.4
212.13686	4.9
223.14203	2.0
247.02551	2.8
247.20790	2.7
263.20261	6.1
273.18585	7.6
291.04233	3.3
291.19669	99.5
292.19879	5.7
305.59845	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	291.2331
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03326	2.4
58.00468	8.3
59.01244	2.7
69.03340	2.6
69.54612	8.6
71.01247	3.5
71.04897	1.2
73.02818	31.8
83.04907	3.7
84.02036	10.4
85.02837	2.4
85.06486	1.2
95.04910	2.0
97.06469	6.1
107.04903	1.5
109.06467	2.6
111.08077	5.7
113.06011	1.8
115.07530	1.3
121.02861	1.5
121.06516	1.3
125.05983	4.5
125.09603	3.3
127.07504	1.8
137.09526	1.2
137.90855	1.2
139.07550	4.2
139.11150	1.6
151.11252	1.3
153.12730	2.6
155.14294	1.6
165.12773	3.0
167.10643	1.2
167.14316	1.4
185.11765	1.5
195.13911	1.6
209.04527	1.5
209.15266	1.4
211.13423	1.2
219.17670	1.2
247.20634	3.7
255.21146	4.2
261.22202	4.7
263.21008	1.8
263.23734	12.8
264.23804	1.0
271.20523	1.2
273.18674	4.8
273.22232	24.4
274.22592	3.1
289.21707	1.3
291.19662	54.0
291.23288	100.0
292.19995	4.4
292.23608	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	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35786	0.6
57.03328	6.6
69.03311	1.7
69.93720	1.4
69.94114	1.8
80.02551	0.9
81.03338	5.5
83.01262	5.6
93.03333	2.9
95.01257	0.8
95.04900	7.8
97.02836	12.9
105.03342	0.9
107.04892	1.2
108.02061	2.4
109.02841	49.0
110.03197	1.6
111.04402	0.8
121.02856	5.4
122.03628	2.1
123.04414	36.4
124.04731	1.2
125.02345	29.0
126.02680	1.0
133.02876	0.7
135.04436	4.1
137.02353	17.5
138.03091	0.9
139.03915	7.4
145.02853	2.6
146.03621	2.8
147.04384	1.6
149.02348	7.5
150.03108	2.3
151.03931	14.7
157.06430	0.6
159.04434	5.5
160.05206	1.9
161.02353	2.4
161.05989	7.6
162.03125	2.2
162.14818	0.6
163.03922	2.2
164.01062	5.7
165.01830	6.5
166.02530	1.4
167.03375	2.2
173.06017	2.0
174.03055	0.8
175.03940	3.5
175.07545	4.2
176.00308	0.6
177.05440	1.0
179.02019	1.2
179.03432	12.1
183.08075	0.6
185.06076	1.3
187.03934	8.2
188.04720	5.8
199.07617	1.0
201.05504	1.6
202.06320	3.6
203.07094	19.0
204.07423	1.7
205.04997	15.7
206.05409	1.2
212.04655	1.2
217.05002	1.0
217.08614	1.3
221.08154	5.5
227.07199	3.2
229.05069	1.2
231.02948	1.1
245.08171	40.0
246.08554	2.9
247.06131	2.6
252.37260	0.6
271.06198	1.7
289.07184	100.0
290.07562	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	289.1085
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
52.82731	0.5
57.03330	6.8
59.01265	2.9
69.03326	3.9
71.01246	1.1
71.04892	3.0
71.07141	1.3
71.46424	0.7
81.03336	40.9
82.03648	0.9
83.04906	2.4
84.02029	0.9
85.02852	0.8
85.40762	0.6
93.03349	4.0
95.01276	2.2
95.04903	2.2
96.95901	2.5
97.02840	6.8
97.06476	0.9
99.04411	6.6
107.04891	1.1
108.02054	8.1
109.02885	3.9
109.06472	2.3
111.00777	0.7
111.04398	1.7
115.03861	0.9
121.02858	9.7
122.03638	1.7
123.04411	22.5
124.01552	0.7
124.04763	0.7
125.01447	0.9
125.02350	17.1
127.03893	1.2
130.04121	1.6
131.04874	0.9
133.02846	5.2
134.03679	3.1
135.04424	8.6
137.06013	0.9
146.03619	1.3
147.04437	8.1
148.05209	4.1
149.05994	5.2
158.03627	0.7
160.05261	1.2
161.02324	2.6
161.09943	0.9
162.03094	1.2
163.03871	0.7
163.07564	22.5
164.07773	1.0
165.05518	1.6
169.06451	0.8
171.04393	1.2
172.05164	1.0
173.06009	1.9
174.03160	5.0
175.03894	1.4
175.07516	0.6
185.05841	0.8
186.03162	0.9
186.06841	1.0
187.07613	1.6
189.05489	5.1
191.07106	0.8
197.06064	1.5
198.03148	1.0
199.03996	4.7
200.04642	1.1
201.05492	1.7
202.06248	2.3
203.07016	0.6
203.10678	2.8
209.06026	0.7
210.06871	1.7
211.03969	0.7
212.08348	3.8
213.05556	8.4
214.06305	9.9
215.06985	2.8
216.04243	1.2
217.05118	0.8
217.08661	5.9
219.06598	4.0
225.09154	0.9
227.10612	4.2
228.07866	1.6
229.08679	15.5
230.09366	4.2
238.06288	4.7
241.05095	0.9
243.10347	1.3
245.04196	0.7
245.11815	15.9
246.12172	1.0
253.08675	8.3
255.06755	0.7
256.07394	10.7
259.09732	2.5
269.08105	1.3
271.09781	27.0
272.10080	1.3
274.08563	0.7
289.10825	100.0
289.17838	2.1
290.11172	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	289.1561
Annotation	CL 22T
Peak:m/z	Relative Intensity
57.03338	0.8
58.02853	1.0
59.01253	2.9
59.30766	0.7
59.72057	0.9
66.99216	0.7
69.71166	6.1
70.02852	43.6
71.01272	1.1
73.47540	0.8
92.04931	5.2
96.00795	1.1
114.01857	99.1
115.02195	1.7
116.04949	2.1
130.06566	1.2
144.08102	3.8
146.09642	1.5
155.82509	1.0
155.97015	0.8
158.09669	27.0
172.11244	4.2
174.12799	100.0
174.91943	0.8
175.13138	5.9
191.98129	0.8
245.16534	20.4
246.16887	2.3
289.15585	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	8.4
57.03322	7.8
58.00461	2.2
59.00949	2.0
59.01253	40.0
69.03333	1.7
69.74765	4.9
69.75190	1.5
71.01255	100.0
71.04887	1.7
72.01598	0.9
72.99174	2.6
73.02824	33.9
75.00742	2.1
83.01270	16.0
85.02824	48.6
87.00756	3.1
89.02318	6.5
90.22314	0.8
95.01260	8.7
97.02834	1.4
99.00768	13.0
101.02327	54.7
106.97861	0.9
111.00751	1.1
113.02337	33.8
114.02666	1.0
119.08573	3.9
125.02316	1.7
127.11218	4.4
129.01863	1.1
136.07890	0.9
143.03378	1.3
159.02870	4.4
161.04471	11.6
162.04852	1.0
172.17012	0.9
289.18182	7.6
297.72580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03329	1.1
59.01253	100.0
60.01605	0.9
69.45459	0.8
69.45856	2.4
96.95890	1.8
97.06470	0.8
99.04407	1.9
105.37601	0.3
109.06516	0.4
145.71959	0.3
147.08948	0.3
165.12758	2.1
167.10689	0.8
207.13838	3.4
208.14101	0.3
209.11804	8.1
210.12131	0.7
215.87741	0.3
225.14932	6.3
226.15294	0.3
227.12845	53.4
228.13182	3.2
251.12860	1.8
269.13943	14.8
270.14319	1.0
287.15009	60.6
288.15350	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	287.1654
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
59.01245	2.6
65.03828	1.0
69.52908	4.0
69.53316	1.6
75.43636	0.7
79.05405	0.8
91.05404	1.1
97.06497	1.5
102.04654	3.5
113.60503	0.6
115.05421	4.4
117.06989	100.0
118.07342	3.8
119.08517	1.6
121.06461	3.2
123.08018	1.2
125.02341	1.4
125.09602	9.7
137.81242	0.7
143.04919	1.5
147.08040	2.1
151.30293	0.7
157.15204	0.7
160.08842	3.1
185.09625	1.2
187.14830	1.5
199.11177	0.7
231.13829	7.7
243.17474	2.9
266.47525	0.9
269.15579	1.0
287.16525	76.2
287.22128	3.2
288.16891	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03333	0.1
88.84296	0.1
97.06464	0.3
99.08031	2.3
106.16898	0.1
111.08090	0.2
113.09595	0.1
115.21597	0.1
129.09122	1.0
129.88943	0.1
131.96329	0.1
139.11191	0.3
141.12764	2.1
142.13103	0.1
155.14297	0.7
185.11775	0.2
211.20552	0.3
221.19162	0.2
223.20619	0.3
239.20113	0.3
241.21660	0.9
267.19550	0.2
269.21219	3.2
270.21552	0.2
285.20737	1.8
287.22275	100.0
288.22620	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
83.98077	0.5
90.52967	0.4
99.08027	1.9
99.20818	0.4
118.97601	0.5
120.74123	0.4
129.09109	0.8
130.03705	0.4
141.12766	2.1
155.14311	0.6
241.21771	1.3
269.21295	2.9
285.20715	1.8
287.22281	100.0
288.22604	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.02843	0.6
59.01237	1.1
61.84426	0.3
62.88424	0.3
70.44542	1.5
71.04862	0.3
80.79896	0.4
81.03354	2.3
92.04958	1.0
93.03339	1.4
97.61940	0.4
98.20448	0.5
108.02054	0.5
108.04429	5.3
109.02829	5.3
119.08530	0.7
121.02862	0.5
124.01538	0.5
131.73837	0.4
134.02379	39.0
135.03198	9.0
136.03944	41.9
137.02322	1.3
137.04234	1.2
148.03949	1.3
149.04726	1.2
152.36246	0.4
162.01927	0.4
176.03452	5.5
177.04134	1.0
190.04955	0.6
204.06630	0.6
236.22299	0.4
270.46490	0.4
288.16061	100.0
289.15933	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75396	4.1
57.03327	11.5
67.70310	3.8
71.28867	3.4
71.37483	4.6
81.03358	10.0
83.01274	8.3
93.03339	7.0
95.04932	12.1
97.02829	24.0
108.02104	3.7
109.02843	68.9
121.02865	9.6
122.03537	3.7
123.04411	47.8
125.02342	45.6
132.46927	4.2
135.04433	6.6
137.02327	34.8
139.03941	11.1
142.94736	2.9
146.03651	5.2
149.02377	9.6
151.03899	20.9
159.04448	8.3
161.05992	10.9
162.03070	4.0
163.03909	4.3
164.01103	6.0
165.01833	10.8
175.03929	5.2
175.07600	3.5
179.03426	11.1
185.06189	3.9
187.03995	10.9
188.04672	9.4
193.27531	3.5
201.05551	5.4
202.06339	9.3
203.07091	31.8
205.04987	20.6
221.08182	13.4
227.07269	5.4
245.08174	44.4
247.02631	6.2
247.06160	5.1
289.04007	4.5
289.07120	100.0
290.07556	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	0.7
80.02549	1.8
99.20479	0.5
108.02053	34.1
109.02955	3.3
109.48103	0.5
121.02846	36.0
122.03149	1.0
123.04410	100.0
124.04707	3.5
133.02846	9.3
134.03635	30.5
135.03955	1.3
136.05194	1.2
146.03641	1.1
147.04462	0.7
149.05986	64.7
150.06331	2.7
168.04210	4.1
187.07494	0.8
191.92320	0.6
196.05200	0.8
202.55185	0.6
211.07658	1.4
213.05367	0.7
237.05527	1.5
240.04230	9.6
241.04662	0.6
254.05850	1.6
255.06592	19.3
256.06961	1.5
269.08157	1.7
270.09000	4.6
284.26880	0.8
285.04172	2.3
285.11322	89.4
285.20422	3.9
285.26956	1.1
286.11691	9.4
299.86578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
62.92408	0.4
63.02275	2.4
65.00195	12.5
65.03841	0.4
69.53831	3.3
83.01260	5.7
105.91840	0.4
107.01273	15.7
107.04893	1.0
107.98594	0.4
108.01585	0.5
109.02845	2.2
121.02820	0.6
124.01567	1.2
125.02339	4.4
134.03630	2.3
135.04413	100.0
136.04738	4.0
151.00270	75.3
151.03763	2.3
152.00592	2.3
161.02330	0.6
165.01785	0.7
168.21642	0.4
169.01280	2.4
169.12286	0.8
174.45563	0.4
181.95474	0.4
217.29790	0.4
264.89545	0.4
267.41287	0.5
287.05646	8.8
287.08884	0.6
287.18930	0.5
287.22034	0.7
288.05853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03042	0.8
57.03326	14.5
58.65973	0.4
59.01249	3.6
63.02272	4.5
65.00195	8.0
65.03800	0.4
69.92625	0.4
71.01270	0.6
71.45494	0.8
73.21166	0.3
79.26404	0.4
81.03331	3.2
83.01263	12.2
83.24710	0.3
93.03338	3.0
95.01277	0.8
95.49628	0.3
107.01277	6.3
107.04893	0.9
108.02089	0.5
109.02846	2.3
111.00761	1.1
117.03376	1.0
119.04925	0.6
121.02857	1.4
123.00766	0.6
123.04424	2.4
124.01553	3.2
125.02341	100.0
126.02668	2.8
130.04140	0.5
131.04976	1.9
133.02844	3.6
134.03613	1.4
135.04436	2.1
137.02359	1.2
139.00319	0.5
143.04910	0.5
145.02840	1.2
148.05223	0.4
149.05978	0.6
150.03143	0.5
151.00279	12.5
152.01076	9.0
152.02275	0.3
153.01831	2.5
156.05746	0.6
157.06487	1.8
158.03621	0.8
159.04414	1.6
165.01843	0.8
169.01363	1.2
169.06491	0.5
171.04408	0.9
172.05200	1.4
173.06015	5.7
174.06270	0.4
175.03923	0.9
176.00902	0.5
177.05493	14.9
177.07063	0.7
178.05853	0.9
178.99814	6.7
183.04419	0.5
187.07610	0.6
195.10103	0.5
197.06058	0.7
197.11787	1.7
199.07579	3.1
200.04655	1.2
201.05527	9.0
203.03392	1.3
213.05524	1.4
215.07108	5.2
216.07318	0.5
219.06598	1.8
225.05556	1.0
227.12816	2.2
233.33682	0.4
241.05020	1.6
243.06586	12.7
244.06960	0.9
259.06107	65.7
260.06418	4.2
260.08890	0.6
269.04443	2.3
271.68411	0.4
276.57553	0.4
287.05624	34.4
287.14804	2.5
288.05795	2.7
294.79428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1403
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.62605	0.9
59.01246	2.9
63.77547	0.9
65.03828	2.2
65.23814	1.0
66.11063	0.9
67.01765	1.1
70.08615	0.8
71.01949	0.9
71.58869	1.4
82.02855	1.0
83.04903	1.1
84.04396	1.1
87.12235	1.0
94.06496	2.4
95.03657	2.8
95.04911	1.7
96.00775	7.3
96.08072	8.4
97.01575	17.3
98.02341	2.9
98.05975	6.2
100.03924	2.3
108.02106	1.1
108.04411	2.6
109.01582	3.4
109.02831	25.7
109.05218	8.5
109.06500	1.6
110.03179	1.2
110.05997	5.2
116.03374	1.2
118.06502	2.5
120.08103	1.5
122.06022	2.7
124.07576	82.4
125.02323	2.2
125.07909	3.5
126.05508	5.6
127.07527	0.9
134.06006	12.4
136.01584	1.2
136.03947	2.1
137.02365	1.8
137.04688	2.6
138.05524	6.7
148.01610	1.1
150.05507	5.3
151.06247	1.3
152.03401	1.4
161.45293	1.1
162.03204	2.1
162.05510	12.9
163.06310	5.8
165.01907	0.9
166.04990	3.6
175.24001	0.9
177.05457	3.3
178.05014	29.7
179.05449	1.1
189.12740	6.3
194.04507	4.8
195.05225	1.4
200.14352	3.8
208.10530	1.2
243.14960	14.8
243.17499	8.3
244.15303	1.2
287.09442	8.3
287.13971	100.0
287.16470	6.7
287.22278	2.5
288.14276	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03831	5.0
66.07600	0.5
67.01436	0.7
67.01770	3.0
69.03316	0.7
69.36005	3.9
69.36424	2.2
71.88270	0.6
78.95781	16.1
79.05396	1.2
80.02540	0.8
81.03331	1.1
83.38692	0.7
83.55556	0.6
83.66386	0.7
91.05411	15.9
91.05953	1.1
93.03339	6.2
95.01302	0.6
97.02818	0.8
98.19780	0.8
103.05415	1.1
107.04916	6.8
108.02060	9.7
109.02840	41.8
110.03161	0.9
117.03326	1.3
119.04925	2.0
121.02846	27.8
123.00791	0.6
123.04431	0.9
133.02844	3.7
134.03635	13.3
135.04419	99.7
136.01581	1.8
136.04771	3.5
137.02361	6.9
145.02824	1.7
146.03658	0.8
147.04424	20.0
147.77269	0.7
148.05203	3.6
149.02325	1.4
149.05969	1.3
151.03999	0.7
157.06462	1.5
159.04425	1.9
161.02359	1.5
163.03917	20.6
164.04265	1.0
169.06488	1.2
171.08148	1.3
172.05226	1.1
173.05957	2.0
175.03935	2.8
181.06500	1.2
183.04414	1.4
185.06032	1.0
187.07649	1.4
191.28783	0.8
195.08023	1.1
196.05217	1.0
197.06056	3.3
198.06772	0.7
199.07484	1.1
201.05475	1.5
209.06071	0.9
211.07602	1.5
211.13344	5.3
212.04904	0.7
212.08257	0.9
213.05511	1.8
213.09119	0.7
214.06306	1.5
215.07094	2.4
223.07787	1.5
225.05440	1.6
225.75909	0.6
227.03403	1.1
237.05516	0.7
238.06444	0.9
239.07059	3.3
240.04279	0.9
241.05040	1.7
242.05927	0.8
243.06612	3.1
252.04417	1.0
255.06647	5.9
256.07318	3.6
257.08096	2.9
267.06628	9.7
270.05338	1.7
271.06216	1.0
283.06058	1.6
284.26874	2.0
285.07672	100.0
285.27124	1.4
286.04935	0.9
286.08044	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	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46056	0.6
53.79433	0.7
59.01246	1.2
61.09819	0.7
65.03827	1.5
71.44683	1.4
78.95779	100.0
91.01756	0.9
91.05410	5.4
93.03331	2.3
94.11916	0.6
97.02824	0.7
107.04916	2.2
108.02082	4.4
109.02843	16.3
111.00734	1.1
114.36726	0.6
117.03346	0.8
119.04906	1.2
121.02847	13.1
123.04427	1.0
133.02914	1.9
134.03677	4.3
135.04420	36.6
136.04761	1.8
137.02362	2.5
145.02864	1.1
147.04420	9.2
148.05148	0.8
149.02377	3.8
149.05908	1.1
161.02370	1.2
163.03900	7.1
173.05942	1.3
175.04050	0.7
181.06551	0.6
183.04472	0.8
185.06062	0.9
196.05212	1.0
197.05981	1.2
199.07562	1.1
201.05585	0.7
211.04012	0.8
211.13376	4.7
212.04665	0.9
213.05533	1.3
215.06970	0.9
216.57283	0.6
224.04747	0.7
225.05392	1.0
227.03471	1.2
229.04955	0.7
239.07088	0.7
241.04961	1.8
242.09622	0.8
243.06563	0.8
255.06551	2.0
256.03735	1.6
256.07404	1.5
257.06183	1.0
267.06552	3.0
270.05511	3.5
270.08563	3.0
271.06134	10.1
271.08951	1.2
284.26862	6.8
285.04156	8.3
285.07700	34.0
285.12534	6.7
285.20709	2.7
285.27087	3.0
286.05402	0.6
286.08347	4.7
288.42444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	6a-Hydroxymedicarpin
Peak:m/z	Relative Intensity
55.60052	0.4
59.01249	1.0
63.02272	4.8
65.00198	12.6
78.95783	1.2
80.02552	0.6
83.01254	3.3
89.00202	3.4
91.01776	2.7
93.03339	7.0
97.02843	7.8
98.19797	0.8
100.30624	0.4
106.00523	0.6
107.01286	8.2
108.02064	6.0
109.02825	0.7
117.03357	1.0
119.04928	0.6
121.02853	3.1
123.00756	2.0
123.04423	0.5
124.01562	0.8
132.02069	1.6
133.02844	6.3
135.00768	0.9
136.01569	5.2
137.02332	0.9
139.03923	1.5
149.99518	4.3
151.00288	11.3
151.03960	2.8
153.01840	0.7
163.00282	1.7
164.01103	2.6
165.00494	0.9
165.01863	19.0
166.02216	0.6
169.01376	4.8
176.01076	3.4
177.01866	6.5
179.03395	3.8
183.04436	0.8
187.03923	1.6
191.03412	9.8
192.04185	0.7
196.00082	1.1
197.06058	0.6
200.04472	0.5
209.05959	0.7
211.03882	0.9
211.13322	0.8
224.03027	2.6
224.05074	0.6
225.05522	1.1
226.06380	3.4
227.03456	0.9
229.35869	0.6
241.05046	8.3
241.08716	0.9
242.05635	1.1
252.04274	5.2
253.04807	0.5
255.02983	15.5
256.03452	0.7
267.06622	6.4
268.03699	1.0
269.04547	7.7
270.05344	21.7
271.05573	1.4
274.36374	0.6
284.26724	3.6
285.07703	100.0
285.20724	1.8
285.27145	1.9
286.08029	8.4
298.67206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00200	1.4
67.01705	0.3
67.63828	0.4
69.30976	0.6
69.31378	4.1
91.01772	51.4
92.02108	1.4
107.01253	0.8
108.02052	0.8
109.02841	0.5
112.34329	0.4
121.02886	0.5
124.01582	1.1
124.32413	0.5
133.02844	1.2
134.03636	3.8
135.00778	66.8
135.17990	0.4
136.01123	2.0
139.03918	1.8
148.01587	3.0
153.01842	77.9
154.02203	2.6
161.02322	0.8
180.00569	1.9
211.13345	2.6
227.03479	0.5
241.04955	0.5
246.64351	0.4
255.03036	1.8
269.04425	0.7
270.05319	33.3
271.05704	2.2
284.26761	3.0
285.04199	7.1
285.07657	100.0
285.26990	0.8
286.04825	0.8
286.08008	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.19476	0.3
55.65012	0.4
59.01258	0.5
66.63332	0.5
73.88343	0.4
85.66713	0.4
98.20573	1.2
106.04169	0.4
107.04912	100.0
108.05247	3.1
123.04351	0.5
163.11200	95.2
164.11539	4.2
184.25751	0.4
185.62608	0.5
283.17044	73.8
283.26398	25.7
284.17392	5.9
284.26788	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	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01244	0.6
63.02275	1.0
65.00194	4.6
65.03835	0.4
69.24833	3.9
75.00768	0.4
77.03859	0.3
83.01285	1.6
91.01775	2.0
91.05416	1.0
93.03355	1.2
105.03356	0.9
107.01279	6.2
107.04949	0.5
108.02077	1.0
109.02837	3.0
119.04932	0.5
121.02864	3.1
121.83004	0.4
123.04456	0.5
131.07300	0.3
132.02094	0.5
133.02853	31.1
134.03421	1.2
135.00763	2.3
135.04413	7.0
137.02347	0.6
139.49393	0.3
143.04982	0.6
145.02922	0.4
147.04440	2.3
148.01660	0.6
149.02361	8.3
150.02664	0.3
151.00282	10.6
153.01834	2.0
157.06509	0.4
159.04494	0.5
161.05994	0.6
163.03943	2.2
170.42552	0.4
171.04379	1.1
173.05965	0.4
175.03911	6.7
176.04260	0.5
185.06015	1.1
187.03935	0.6
189.05524	0.6
195.04445	0.4
197.05966	0.7
198.03130	1.2
199.03960	5.0
200.04361	0.5
201.01953	2.2
211.03894	0.4
211.13345	0.9
213.05577	1.2
215.03448	1.3
215.07147	0.4
217.05022	3.0
223.03983	0.5
226.02704	0.3
229.05045	0.7
239.07289	0.5
241.05049	1.6
243.03018	1.3
256.07489	0.5
257.04492	1.9
267.03107	0.7
267.06644	0.8
270.05386	1.0
284.26749	1.0
285.04089	100.0
285.07629	11.2
286.01248	0.6
286.04419	7.9
286.07941	1.1
305.26129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.17802	0.3
58.37764	0.3
59.01239	1.4
60.94998	0.3
63.02265	2.5
65.00191	1.4
70.01210	1.1
70.01627	0.5
72.99179	1.2
82.80227	0.3
83.01233	0.7
91.01775	1.0
93.03326	0.6
95.01308	0.3
97.06499	0.4
99.08041	0.4
105.65639	0.3
107.01264	1.9
108.02041	0.5
109.02821	0.8
115.05434	0.3
116.04952	0.3
117.03292	0.3
120.62894	0.2
121.02866	1.4
123.04408	0.7
128.71431	0.3
129.09122	1.3
133.02856	1.8
135.00786	0.6
139.03938	0.7
143.04959	0.8
143.10681	0.4
145.02893	0.5
146.03737	0.3
147.04425	0.5
148.01585	1.4
149.02344	4.0
151.00287	1.3
151.03951	0.8
153.01814	0.4
154.04068	0.4
157.06403	0.4
159.04344	0.5
167.04951	0.6
169.06503	0.6
171.04439	1.1
171.22348	0.3
173.63461	0.3
174.03180	0.5
175.03928	1.3
176.01067	1.2
177.01833	1.2
180.05840	0.3
181.12256	0.9
182.03735	0.4
183.04399	0.5
185.06082	1.9
187.03928	0.8
189.05527	0.5
195.04417	0.6
196.05186	0.9
197.06035	0.6
198.03204	0.7
199.03868	1.2
199.13348	0.5
201.05551	0.4
211.04030	1.4
211.13347	1.3
212.04671	0.7
213.05522	1.2
214.02623	0.7
215.03426	0.8
217.04959	1.1
223.13341	0.4
224.04688	0.4
226.02684	0.3
227.03508	1.8
229.05006	4.9
239.03452	1.1
240.04198	0.8
241.05005	1.1
241.09714	0.6
242.02220	1.4
243.02849	0.6
255.03004	0.7
256.03641	1.2
257.04559	6.2
258.04950	0.7
267.03036	0.6
268.03616	0.4
270.05154	0.5
271.06030	0.3
283.02515	0.6
284.03201	0.7
284.26791	1.8
285.04047	100.0
285.20615	4.2
285.27176	0.9
286.04370	8.8
286.06888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.9
61.74755	0.7
69.38770	1.7
69.39175	3.6
71.01241	2.8
73.02833	0.6
73.78118	0.5
75.00773	0.5
78.35362	0.6
85.02855	1.4
89.02341	1.6
91.01771	3.0
93.03360	2.1
98.19740	1.1
101.02345	1.8
108.02064	1.0
113.02333	1.4
132.02084	1.0
135.00768	5.4
148.01576	6.7
153.01831	3.0
156.05785	1.0
160.01578	1.6
183.04480	2.5
184.05249	5.5
195.04472	4.1
196.05206	1.8
198.03162	0.8
211.03946	21.0
212.04625	3.5
215.67627	0.6
223.03911	3.0
223.07599	1.6
224.04805	2.8
224.08327	0.6
227.03543	1.3
239.03470	13.0
239.05730	0.9
239.10712	1.8
239.12802	0.6
240.04233	7.0
251.03465	1.3
255.02957	3.2
267.03018	5.5
268.03763	100.0
269.04126	7.2
283.02725	1.9
283.06122	54.3
283.15326	1.3
283.26425	44.9
284.03192	1.8
284.06433	4.0
284.26749	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	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00149	0.4
54.70303	0.4
58.02829	0.5
59.01244	2.1
65.00190	0.8
71.01247	1.5
71.58568	0.8
81.24806	0.5
87.00748	2.5
88.03924	4.9
91.01774	51.0
92.02111	1.7
93.03354	1.0
102.14266	0.5
107.01285	0.8
108.02044	0.8
109.02776	0.5
115.00239	1.0
119.04960	0.6
121.02840	3.3
131.09692	0.5
132.02065	0.6
132.02991	0.5
133.02864	0.9
135.00784	28.9
136.01117	0.7
149.02348	6.7
153.01843	30.5
154.02205	0.8
159.04381	0.5
161.02328	2.7
162.03157	0.5
169.12169	0.9
185.08141	0.8
198.30119	0.5
201.02522	1.0
201.27603	0.4
211.03983	1.0
225.05548	1.0
239.03442	1.2
240.04173	0.6
240.16039	1.0
247.47093	0.5
253.05315	0.8
255.03004	6.4
255.06528	1.4
256.03299	0.7
265.18246	0.5
267.02905	0.8
268.03812	2.9
268.07297	0.8
281.04593	0.5
283.06128	100.0
283.19489	1.4
283.26419	60.8
284.06479	8.6
284.14944	2.4
284.26804	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
60.35728	0.4
65.00182	1.1
65.03839	3.3
67.01753	2.1
68.99684	0.7
70.84264	1.0
70.84642	0.9
80.02547	0.4
81.80607	0.5
89.03850	2.3
91.01778	1.4
93.03314	1.8
95.86733	0.4
100.39367	0.4
108.02061	5.0
108.75045	0.5
109.02845	16.9
110.03179	0.6
117.03342	3.6
120.96629	0.4
121.02849	6.5
123.04419	1.1
132.02071	1.2
133.02856	11.2
135.00769	2.2
137.01375	0.7
137.02338	6.7
139.05461	0.5
141.07013	2.6
143.04948	1.5
143.08517	0.6
145.02859	10.2
146.03583	1.3
147.04436	0.8
157.06470	1.2
159.00723	0.5
159.04501	0.7
161.02350	2.1
165.07014	1.1
167.04945	2.0
167.08589	1.3
169.06494	1.9
171.04459	0.6
172.05272	1.2
173.02278	0.8
174.03191	1.0
180.05640	0.7
181.06479	1.6
182.03612	0.6
183.04439	1.3
183.08092	2.0
184.05229	1.0
184.32924	0.5
185.06027	5.5
186.06624	0.7
187.03966	0.7
187.07582	2.6
193.06516	1.7
195.04483	3.1
196.05212	3.7
197.06013	1.6
198.03148	1.4
198.06720	0.7
201.02495	0.8
208.05135	0.6
209.06046	7.2
210.06764	5.2
211.04018	4.4
211.07578	8.5
212.04689	1.5
212.07956	0.7
213.05495	7.3
214.05885	0.6
215.07199	1.0
221.06042	0.4
224.04741	0.9
225.05525	3.4
226.06335	2.3
227.07117	2.8
228.07405	0.5
232.31927	0.4
235.03937	1.0
236.04712	0.5
237.05542	3.8
238.05910	0.5
239.03476	3.3
239.07077	2.2
240.04251	7.9
241.04924	1.5
253.05032	5.5
254.05830	39.8
255.06580	46.3
256.06964	4.9
265.05042	0.6
268.03772	4.1
281.04581	1.2
282.05380	1.3
283.06119	100.0
283.26425	23.5
284.06439	9.1
284.26627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77969	2.5
91.01280	0.4
91.01773	4.0
98.19828	0.7
108.02023	0.9
119.01210	0.4
132.02042	0.6
135.00768	5.4
136.01199	0.4
148.00362	0.4
148.01566	7.6
149.01842	0.4
153.01868	2.1
156.05684	1.3
160.01588	0.9
183.04459	2.0
184.05254	7.1
185.05559	0.4
190.35922	0.4
195.04422	4.3
196.05264	2.9
198.03125	0.8
211.03957	22.3
212.04671	3.6
219.01799	0.4
223.03995	3.7
224.04729	3.0
239.03471	15.5
240.04216	8.2
251.03462	1.4
255.03018	1.0
255.05574	0.7
267.02960	5.4
268.03763	100.0
269.04138	8.4
283.06122	81.1
283.26422	5.8
284.06445	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87437	0.2
61.49337	0.2
68.68525	0.2
69.75180	1.3
69.82659	0.2
76.46454	0.2
80.64127	0.2
91.01774	2.8
98.19873	0.4
100.43309	0.2
100.66040	0.2
108.02059	1.0
111.31847	0.2
132.02081	0.6
135.00778	4.5
135.56700	0.2
143.04926	0.2
143.53587	0.2
148.01569	5.6
153.01881	1.5
156.05692	0.9
160.01569	1.0
167.04996	0.3
171.04448	0.6
172.05232	0.2
183.04488	1.7
184.05219	5.7
185.05611	0.3
195.04440	3.5
196.05223	1.7
198.03094	0.4
199.03952	0.3
211.03947	17.1
212.04616	3.0
220.06906	0.2
223.03958	2.4
224.04739	3.1
239.03464	10.9
240.04221	7.7
241.04616	0.5
251.03424	0.9
267.02975	4.9
268.03763	100.0
269.04108	8.8
283.06125	58.9
283.26428	3.0
284.06436	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	282.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
59.62504	0.3
60.13290	0.3
65.99702	0.4
66.00854	1.0
67.59039	0.3
70.69950	0.5
70.70295	0.6
78.00861	0.3
82.03989	1.1
89.02308	0.4
95.04123	0.3
107.03506	4.6
108.01926	6.7
119.49136	0.3
126.02988	10.8
133.01462	34.7
134.01834	0.5
150.04128	100.0
151.02495	0.9
151.04549	2.7
164.05666	0.4
282.08444	20.6
283.08771	1.5
283.26453	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	283.0611
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
70.89265	0.6
70.89608	1.2
91.01754	0.5
99.78142	0.4
107.01217	0.5
125.56494	0.5
132.02071	7.2
135.00777	1.3
153.01846	1.1
154.04102	0.8
167.04893	0.7
168.51312	0.5
184.05270	1.2
190.02692	0.6
195.04489	2.4
196.05246	2.0
211.03969	8.9
212.04660	2.0
223.03989	4.7
224.04710	2.9
226.02728	2.1
239.03476	16.9
240.04175	7.4
241.04669	0.8
267.02994	18.6
268.03751	100.0
269.04044	6.9
283.06116	76.1
283.26407	7.8
284.06479	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	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74325	0.6
53.62119	0.7
56.24619	0.5
56.34982	0.6
65.00208	1.5
65.03841	3.3
67.01744	1.5
70.69051	0.8
70.69388	1.5
89.03848	1.7
91.01780	1.3
93.03332	2.0
98.77013	0.6
107.87611	0.7
108.02040	5.5
109.02840	15.7
112.70788	0.6
117.03339	3.2
120.04559	0.7
121.02851	4.9
123.04447	1.2
129.88423	0.6
132.02075	1.3
133.02869	10.0
135.00757	1.9
137.02344	7.4
141.07005	2.3
143.04893	1.4
143.08661	0.9
145.02853	9.5
153.01778	0.9
157.06522	0.9
161.02318	0.9
165.06987	1.1
167.04988	1.7
167.08560	2.0
169.06512	2.4
171.04462	1.2
172.05159	0.9
173.02350	1.0
181.06526	0.9
183.04436	1.2
183.08069	1.3
184.05190	1.4
185.05959	5.0
186.06648	0.9
187.07565	2.6
193.06502	1.6
195.04449	2.4
196.05214	2.9
197.06013	2.1
198.03174	1.9
208.05371	1.0
209.06020	7.2
210.06735	5.2
211.03944	3.4
211.07539	6.7
212.04674	2.1
213.05511	5.3
225.05469	3.6
226.06219	1.4
227.07018	2.6
236.04659	1.2
237.05499	4.0
239.03445	2.1
239.07120	2.9
240.04265	8.9
241.04919	1.3
253.05121	4.5
254.05823	34.5
255.06581	43.8
256.06909	3.3
268.03860	4.4
281.04639	1.6
282.05307	1.5
283.06113	100.0
283.26431	12.2
284.06403	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	281.0457
Annotation	Damnacanthal
Peak:m/z	Relative Intensity
52.29828	0.2
55.91806	0.2
56.47739	0.2
65.00174	0.2
69.31873	1.1
69.32309	1.1
72.85562	0.2
79.69604	0.3
89.03813	0.2
91.01774	4.0
91.08768	0.2
114.35165	0.2
117.03337	0.7
123.04449	0.5
130.86072	0.2
132.02055	1.5
133.02861	2.9
135.00774	3.3
139.05383	0.4
143.04965	0.5
153.01808	1.2
153.07024	0.4
155.04898	0.2
160.01553	0.4
161.02322	0.4
167.04982	1.4
169.06503	1.0
180.05711	2.1
181.06488	1.4
182.03683	0.4
183.04428	1.2
185.02348	0.3
185.06012	1.4
195.04457	3.8
196.05228	2.4
197.06030	3.2
208.05267	4.0
209.06023	6.1
210.03145	0.3
210.06322	0.3
211.03935	1.3
213.05571	0.2
223.03966	5.3
224.04738	6.5
225.05528	6.1
226.05858	0.4
235.03998	0.4
237.05623	0.3
251.03491	5.3
252.04242	5.5
253.05048	59.1
254.05405	4.4
279.02966	2.0
280.03799	0.4
281.04559	100.0
282.04901	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
57.03317	28.5
59.01242	13.3
65.03843	3.3
70.88566	4.7
70.88905	4.1
71.01260	19.5
71.04944	3.1
73.02836	3.7
73.28837	2.5
75.12046	3.0
83.04903	17.8
85.02799	9.3
86.21547	3.3
87.00743	21.8
93.03372	4.7
95.01241	4.6
95.04902	9.5
96.95898	4.2
97.02838	3.5
98.19825	3.2
101.05890	3.4
107.04957	4.3
109.06526	3.4
111.04392	10.7
111.08076	4.0
113.02338	12.8
113.05923	3.9
119.04922	14.4
121.06470	12.7
123.08055	40.7
124.05167	6.3
134.03644	4.3
137.06052	3.7
137.09592	7.8
139.07524	7.3
145.10139	6.3
151.07581	5.7
153.09047	5.5
163.03865	3.5
163.11134	2.9
169.10110	5.8
171.11703	46.5
189.12762	20.6
193.04959	8.2
201.12834	20.3
207.13844	11.1
219.13933	9.5
237.14911	82.5
238.15303	5.8
281.10846	4.9
281.13940	100.0
281.24854	7.0
282.14175	9.9
288.76071	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0532
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
51.66592	0.3
57.02743	0.4
59.01262	1.8
65.00195	0.3
68.39041	0.3
68.44637	0.3
71.58534	0.6
71.80126	0.3
91.01794	0.3
117.03362	0.7
119.01289	0.6
132.02081	2.0
139.05412	0.8
141.03357	2.5
143.04916	2.6
145.02858	0.3
154.04135	0.7
155.04945	9.8
156.05171	0.3
167.04953	10.3
168.05377	0.4
169.02869	0.5
173.05952	1.6
182.03650	2.6
183.04449	12.1
184.04691	0.5
195.04453	36.8
196.04756	2.4
197.02388	1.0
201.05463	0.4
201.85793	0.3
210.03183	2.9
210.06781	1.4
211.03954	29.5
212.04375	1.8
215.03481	0.4
221.18820	0.3
223.03993	4.9
224.04568	0.5
225.05489	1.3
226.06415	0.4
233.57918	0.3
238.02702	3.8
239.03470	84.5
240.03799	6.3
253.05032	1.3
254.05829	32.0
255.03308	2.2
255.05971	2.5
256.17542	0.3
266.02237	1.5
267.02982	14.2
268.03555	2.3
281.04572	1.4
281.24774	0.5
282.05341	100.0
283.02597	0.6
283.05704	9.6
283.26422	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	281.0455
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
56.69855	0.1
59.01244	0.2
65.00188	0.2
67.01752	0.1
71.39394	0.1
85.17270	0.1
89.03831	0.2
91.01765	4.2
92.02104	0.1
93.03348	0.2
95.04924	0.1
104.02562	0.1
110.72251	0.1
117.03362	0.9
117.91600	0.1
119.04942	0.1
123.04406	0.2
127.05404	0.1
132.02068	1.7
133.02858	3.0
134.03175	0.1
135.00777	3.2
135.43513	0.1
136.01109	0.1
139.05412	0.3
141.03369	0.2
143.04935	0.5
145.02890	0.1
151.05559	0.1
153.01837	1.7
153.06975	0.4
155.04965	0.3
157.06482	0.2
159.00798	0.1
159.04419	0.2
160.01555	0.4
161.02345	0.5
165.06966	0.1
167.04953	1.4
168.05629	0.1
169.06516	1.2
170.06862	0.1
171.04375	0.1
179.04887	0.1
180.05734	1.8
181.06512	1.3
182.03607	0.5
182.06895	0.1
183.04472	1.1
185.02393	0.2
185.06004	1.6
186.06314	0.1
191.04987	0.3
195.04445	3.7
196.05232	2.4
197.06006	3.2
198.03056	0.1
198.06360	0.2
207.04581	0.4
208.05241	4.8
209.06017	6.1
210.03192	0.6
210.06413	0.5
211.03946	1.6
212.04218	0.1
213.05478	0.3
213.14825	0.1
223.03964	5.4
224.04716	6.7
225.05498	6.6
225.07831	0.2
226.02670	0.2
226.05910	0.5
235.04056	0.4
237.05452	0.5
241.05011	0.1
251.03481	5.0
252.04242	6.6
253.05029	64.0
254.05382	4.8
267.02933	0.3
279.02988	2.4
280.03522	0.4
281.04544	100.0
282.04892	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
68.09319	0.5
69.51863	2.4
69.52291	2.7
88.07638	0.5
92.35033	0.6
228.23843	0.7
262.86404	0.6
279.23288	100.0
280.23627	8.4
289.87000	0.6
293.05908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0455
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
53.13657	1.3
57.42814	1.2
59.01239	4.8
59.17009	1.1
65.00189	4.9
69.26853	14.3
71.01250	1.4
71.90453	1.2
89.02311	1.3
93.91862	1.2
95.63955	1.4
98.20586	2.3
100.22130	1.0
104.38452	1.2
117.03360	2.3
133.55513	1.3
165.07019	1.4
167.04874	2.7
169.06531	1.8
180.05771	4.3
181.06499	1.8
183.04460	4.6
185.06015	1.8
191.04959	1.7
191.69461	1.4
195.04390	7.3
196.04955	2.4
197.06056	7.2
207.04471	12.8
208.05165	4.4
209.05959	7.6
210.02971	1.4
211.03917	3.2
223.04001	11.5
224.04633	2.9
225.05586	8.3
235.04051	3.6
237.05481	1.5
251.03491	39.1
252.04251	100.0
253.05005	63.8
254.05437	5.3
279.02884	3.5
281.04553	87.2
281.24869	5.2
282.04871	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	279.1239
Annotation	Akihalin
Peak:m/z	Relative Intensity
54.66359	0.6
55.01762	1.1
57.03313	3.0
59.01247	2.5
61.30665	0.6
69.03326	3.9
71.01242	1.2
71.04882	1.3
71.57358	0.7
71.57689	0.7
79.05384	0.9
80.02542	0.8
83.04890	1.6
85.02812	1.4
85.06434	1.2
95.01304	0.6
95.04896	4.1
96.95921	1.3
97.02834	20.9
97.06470	13.0
107.04921	2.2
109.02864	4.9
109.06483	8.1
111.04404	2.6
119.08556	2.9
120.05621	1.0
121.06490	8.9
122.03632	34.0
123.04480	3.8
123.08051	3.6
124.05202	0.7
125.02342	1.2
125.05949	2.5
135.04391	1.3
135.08054	2.2
136.05179	1.4
137.05994	17.4
137.09615	2.9
138.02972	0.7
139.07524	3.0
147.08049	2.3
148.05220	2.8
149.06030	0.7
151.00148	0.6
161.09648	1.3
162.06778	2.7
163.07550	5.4
163.11205	2.0
165.05507	1.6
165.09050	0.9
168.07764	1.2
171.08099	1.6
172.08865	0.9
175.07590	1.1
175.11159	2.4
177.09073	1.5
177.12781	7.7
180.07837	2.1
181.41792	0.8
187.11232	14.7
189.09158	2.6
190.09912	7.8
191.10565	1.0
199.11162	1.0
202.09886	1.1
203.10776	0.7
205.12271	27.9
206.12567	1.9
217.12323	3.6
221.04474	1.6
235.13339	9.7
249.04030	7.0
261.11325	1.4
264.06351	4.4
279.12369	100.0
280.12738	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01231	0.5
64.53762	0.3
70.17934	0.9
70.18374	0.6
71.01212	0.4
78.51377	0.3
115.91080	0.3
118.81797	0.3
129.54080	0.3
192.62572	0.3
233.22687	0.7
250.53084	0.3
259.20718	0.7
275.20236	0.5
277.21704	100.0
278.22058	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
55.01751	0.9
55.81664	0.8
57.03049	0.9
57.03324	15.3
59.01236	2.0
61.86268	0.8
69.03331	1.6
70.25273	3.2
71.01245	2.9
73.02826	1.0
73.64435	0.8
79.05389	1.5
80.34837	0.9
81.03339	1.3
83.04906	4.0
85.02840	0.9
93.03334	1.2
95.04902	4.2
97.02834	9.2
97.06475	3.2
99.04405	1.4
107.04922	3.1
108.02050	1.0
109.02834	8.1
109.06485	7.2
111.04413	6.0
119.08520	2.6
121.06494	7.4
122.02824	1.4
122.03638	21.7
123.04433	4.6
123.08035	1.4
124.05199	25.8
125.02328	1.2
125.06010	8.5
127.03828	1.0
135.04405	2.4
135.07979	1.4
136.05107	1.0
137.05995	14.7
137.09599	1.3
139.07553	100.0
140.07903	4.3
145.10049	1.7
147.08107	5.1
148.05215	1.6
149.09683	1.0
149.86064	0.8
161.09584	1.2
162.06836	0.9
163.07516	2.2
163.11188	2.7
168.07846	28.5
169.08522	2.5
169.10193	0.8
171.08044	4.2
175.11160	1.5
177.09166	1.2
177.12730	2.5
185.09625	1.0
187.11205	22.1
188.11476	1.4
189.09181	1.3
190.09956	4.6
193.84184	0.8
205.12286	40.1
206.12617	3.1
217.12277	2.1
225.13708	0.8
231.10300	1.3
235.13329	5.1
242.07526	0.9
249.11482	1.6
277.66998	0.9
279.12311	8.7
279.23236	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	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03330	13.2
59.01248	0.9
69.03326	1.2
69.39131	1.7
69.39539	6.3
71.04877	1.0
81.03309	0.8
83.04892	3.3
85.02834	1.2
93.03316	1.0
93.06997	1.0
94.04095	1.2
95.04906	3.6
97.02832	7.8
97.06472	2.3
98.19821	1.3
99.75683	0.7
100.04583	0.9
107.04907	2.4
109.02831	6.4
109.06496	5.4
110.27454	1.0
111.04411	4.7
111.05080	0.9
119.08556	2.4
121.06468	5.0
122.03632	18.2
123.04485	3.9
123.08058	0.8
124.05206	20.0
125.05993	6.2
127.03807	0.9
135.04411	1.9
135.08115	1.2
136.05220	1.2
137.06007	12.5
137.09625	1.9
139.07552	100.0
140.07883	3.3
147.08057	4.3
161.09532	1.2
162.06830	1.4
163.07526	1.3
163.11212	2.3
167.07062	1.0
168.07845	26.2
169.08354	1.2
171.08095	3.1
172.08795	1.0
175.07542	0.9
175.11197	1.3
177.12787	1.8
187.11220	23.6
188.11473	2.4
189.09071	1.5
190.09958	3.9
205.12296	38.3
206.12566	2.8
217.12297	2.4
235.13377	5.3
249.11249	2.0
279.09601	1.4
279.12436	8.2
279.15250	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56227	0.5
59.01234	0.6
132.01392	0.5
221.79475	0.5
233.22713	0.8
251.33859	0.5
277.21716	100.0
278.22119	8.0
286.29034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
98.19693	0.9
117.62435	0.3
127.07551	0.4
167.00027	0.3
229.57161	0.4
233.22586	0.6
275.20163	0.6
277.21719	100.0
278.22076	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.8
65.92646	0.2
71.01250	0.5
83.04886	0.2
98.19727	0.2
124.77836	0.2
127.07542	0.4
133.48534	0.2
205.15842	0.3
205.19652	0.2
233.22710	0.9
259.20612	0.5
275.20145	0.5
277.21722	100.0
278.22076	8.4
283.85150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23751	0.3
59.01242	1.6
59.29895	0.4
60.02153	0.4
71.01246	0.5
81.29848	0.4
126.66196	0.4
132.94380	0.4
144.71025	0.4
179.96730	0.4
190.47493	0.4
201.27885	0.4
207.94984	0.4
221.61575	0.4
229.47420	0.6
233.22783	0.7
259.20456	0.5
277.21725	100.0
278.22083	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01258	2.7
59.01517	0.6
69.80453	1.1
69.80868	1.1
70.79475	0.3
71.01250	0.5
74.23099	0.3
88.78275	0.3
122.56610	0.4
136.35883	0.3
203.15025	0.3
218.57013	0.4
233.19218	0.3
233.22714	0.4
259.20651	0.6
261.70154	0.4
277.21716	100.0
278.22070	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	273.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98183	1.2
59.01229	1.5
62.11163	1.1
63.73490	1.1
70.27675	1.1
71.58715	2.1
78.86111	1.2
79.47866	1.3
83.04817	1.0
95.39343	1.3
96.37778	1.2
100.85226	1.2
104.29800	1.1
104.52545	1.2
108.02058	3.7
121.02849	53.1
122.03658	19.7
122.05997	1.6
123.04443	9.3
136.05121	1.6
136.07605	1.4
149.02357	100.0
150.02684	3.7
164.04710	93.5
165.05013	2.9
178.03459	1.3
195.07994	1.5
223.07617	5.5
240.07866	4.2
255.10265	40.2
256.10480	1.9
273.03891	1.4
273.07593	1.7
273.12582	8.8
273.20819	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	275.0927
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
52.30527	2.8
59.01248	11.5
61.31387	2.1
70.33737	9.1
79.05419	5.1
80.33278	2.4
83.04906	4.2
85.99960	2.1
93.03329	9.3
98.20544	2.6
106.04131	17.0
107.04913	48.0
108.02054	11.5
119.04919	3.2
121.02840	10.2
123.03091	2.4
125.05967	5.8
127.05009	3.6
140.05821	13.3
151.03900	35.0
158.34657	2.3
169.04984	7.8
171.10152	6.3
173.08006	2.4
195.04726	2.5
213.09172	62.4
214.09377	3.0
215.09184	6.4
233.10217	3.6
245.90092	2.5
257.08185	100.0
258.08554	10.2
275.09204	30.0
283.03503	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	275.2016
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
62.50212	2.9
70.35451	12.5
70.35793	3.3
124.30927	2.6
167.72662	3.3
188.22093	3.0
197.00417	3.2
231.21127	100.0
232.21533	5.6
236.57513	3.2
254.73177	2.8
275.20160	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01252	4.8
59.56271	0.9
71.01252	1.8
98.19780	2.7
106.31764	0.8
116.63878	0.9
144.14575	0.9
177.16357	2.3
229.74539	1.0
231.21132	5.6
275.20145	100.0
276.20398	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01320	3.9
60.97432	1.0
65.39099	0.3
71.01324	0.4
71.05901	0.4
71.06228	0.6
97.44228	0.4
104.94662	0.5
121.03165	5.7
127.95064	0.3
138.38397	0.4
146.99251	0.8
147.08369	5.1
149.00890	0.8
165.00363	12.9
180.99857	1.9
183.01454	0.9
189.04042	1.4
191.05589	11.4
192.05898	0.7
205.07195	1.6
205.15945	1.3
207.05122	1.0
218.41772	0.5
231.08659	1.9
233.10306	100.0
234.10440	8.7
259.15427	1.0
277.16559	83.7
277.21570	51.9
278.16760	8.7
278.21957	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	273.0383
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
52.45105	0.5
70.29911	0.6
71.01239	0.8
71.56192	0.8
78.95777	71.5
85.02822	0.8
87.00764	1.0
95.01216	0.5
96.95869	1.2
96.96852	5.1
98.19814	0.6
99.00718	0.5
101.02277	0.5
110.98416	46.2
128.03371	0.6
135.02849	0.7
145.06122	0.8
184.59399	0.6
241.01160	14.4
273.03809	100.0
274.04083	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	273.0405
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
52.30556	0.6
59.01236	1.3
63.02238	0.9
65.00196	4.5
66.69754	0.6
69.95856	3.8
83.01257	6.1
91.05399	1.5
93.03311	1.1
95.01262	4.4
107.01262	3.7
109.62512	0.6
113.02325	0.7
115.00238	0.7
115.05441	0.6
117.03330	5.1
119.04907	4.4
121.02813	3.6
125.02312	1.7
127.16762	0.6
131.04839	0.9
133.02846	1.3
135.04410	11.8
143.04951	1.2
145.02847	8.3
151.00267	4.1
153.36031	0.6
156.05679	1.4
157.06500	5.8
158.03638	0.9
159.04420	13.0
161.02342	4.8
161.05937	1.6
163.02698	1.0
163.03928	12.7
164.01112	0.9
164.02592	0.6
167.04942	1.4
177.01884	6.5
177.05490	15.6
183.04459	1.1
185.02397	0.9
185.05998	14.0
186.06319	0.9
187.03923	16.2
189.01851	31.6
190.02168	1.5
200.04707	0.7
201.05515	11.0
203.03427	2.5
205.04996	43.9
206.05334	3.1
211.03932	14.1
212.04366	1.0
229.05011	100.0
230.05362	6.6
231.02942	61.0
232.03261	3.7
245.04453	1.0
255.03003	2.4
273.04047	42.4
273.17090	1.1
274.04379	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	273.0404
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
57.03324	0.7
57.65372	0.3
59.01263	0.6
63.02268	9.3
64.99845	0.5
65.00194	11.0
67.01746	0.7
68.99693	0.6
69.40169	0.6
69.40573	2.7
75.68053	0.3
80.02537	0.4
81.03321	0.6
81.17554	0.3
83.01252	10.1
84.35888	0.3
93.03323	2.0
95.01276	2.1
95.04890	0.4
107.01271	11.8
107.04910	0.9
108.02080	1.8
109.02817	1.5
113.82340	0.3
115.05397	1.0
117.03342	1.2
119.04914	2.2
121.02843	8.4
123.00765	0.5
125.02340	6.5
129.06967	0.3
130.04216	0.4
131.04939	1.6
133.02847	1.2
133.06444	0.9
133.62137	0.3
135.00748	0.6
135.04416	3.6
136.01567	1.0
141.96078	0.3
143.04930	1.8
145.02882	1.7
148.01556	0.8
149.06013	0.6
151.00276	12.0
152.00728	0.4
155.04962	0.6
157.06573	1.8
158.03651	0.6
159.04398	5.7
161.02348	4.8
161.06001	2.7
162.03072	0.3
163.00305	0.8
163.03918	6.7
164.01035	2.1
167.04889	0.5
169.01355	1.9
172.05083	0.4
173.05989	2.6
175.03940	2.1
177.01842	1.5
177.05496	2.7
183.04454	1.6
185.02339	1.4
185.05978	4.9
186.03099	0.6
186.06413	0.6
187.03918	5.8
189.01814	1.1
190.02533	0.9
195.99991	0.6
199.03918	0.8
200.04649	0.4
201.01819	0.5
201.05496	5.5
202.05803	0.4
203.03407	4.2
205.04991	5.2
211.03922	1.1
214.02591	0.8
217.05016	1.6
227.03401	1.3
228.04248	0.4
229.01376	1.0
229.05005	7.0
230.02127	0.7
230.05479	0.5
231.02956	3.9
243.02852	0.4
245.04591	2.1
255.02983	2.9
272.69324	0.4
273.04037	100.0
274.04343	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.22559	0.6
55.01775	0.8
59.01262	1.0
59.54869	0.5
72.99191	0.6
98.56490	0.5
102.44441	0.6
115.00755	0.6
121.87106	0.6
125.02348	1.4
197.18982	0.7
215.08134	0.7
221.19006	1.2
223.20708	3.8
225.22191	62.1
226.22546	5.9
253.21774	1.2
271.02518	0.9
271.22791	100.0
272.23154	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	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58450	0.4
59.31199	0.3
70.01114	0.3
70.05147	0.6
70.05509	1.3
71.01249	0.6
72.99184	0.3
78.95777	100.0
85.02823	0.8
96.95883	0.9
96.96217	0.4
96.96835	6.2
98.02354	0.3
110.98415	69.7
111.98757	0.6
125.02371	0.4
126.76755	0.4
128.03426	0.6
130.41945	0.3
145.06075	0.3
223.00090	0.7
241.01151	21.4
242.01537	0.9
247.77075	0.3
272.82809	0.4
273.03806	74.9
274.04153	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19462	0.5
61.78186	0.6
65.03843	5.3
67.01764	1.5
69.46618	1.1
69.47026	4.0
73.21288	0.5
76.48140	0.5
78.26556	0.4
80.02530	1.2
88.33200	0.5
91.04832	0.8
91.05412	16.7
92.05757	0.6
93.03335	4.1
95.01262	1.2
103.84286	0.5
107.04941	0.7
108.02062	14.3
109.02841	66.1
110.03180	1.7
111.00762	1.8
119.04933	1.6
121.02849	18.3
122.03651	1.2
123.04416	14.6
125.02340	0.8
128.01120	0.6
132.05786	0.6
133.02866	3.1
134.03653	12.6
135.04425	88.1
136.04771	3.7
139.95781	0.5
140.61577	0.5
144.44856	0.5
146.03691	0.8
147.04433	18.6
148.05124	1.9
149.05997	18.9
149.07196	1.1
150.06326	1.0
150.82912	0.5
159.04375	0.6
160.05336	0.6
169.06470	0.6
170.07248	0.7
171.04485	0.8
172.05197	1.8
173.05974	1.0
183.04402	1.0
185.05994	0.8
186.06789	3.0
187.07475	1.6
188.04674	0.9
195.04414	0.5
197.06017	7.1
199.03940	3.2
203.10754	1.3
205.26718	0.5
210.06827	0.5
211.07585	2.4
211.60022	0.5
212.08388	4.6
213.05553	2.8
214.06290	6.4
223.04138	0.5
225.09108	0.7
227.03468	1.2
227.07080	0.6
228.07738	0.9
229.08640	5.3
230.08923	0.7
237.05544	1.4
238.06372	4.3
239.06911	1.2
241.05032	9.3
243.10013	0.7
253.08727	3.6
254.99863	0.5
255.06570	2.0
256.07419	9.1
271.09756	100.0
272.10068	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	271.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72817	0.3
70.85995	0.4
71.01251	0.5
80.02538	2.0
81.03310	0.5
86.07690	0.3
89.92172	0.3
93.00607	0.4
93.03323	0.9
98.19736	0.8
107.01222	0.4
108.02055	49.7
109.02275	0.6
109.02890	1.2
119.04905	1.1
120.31311	0.4
121.02856	4.2
123.04414	100.0
124.04746	3.4
125.02322	1.3
133.02837	1.0
135.00821	0.4
135.04396	1.2
136.01567	1.3
137.02322	1.9
147.04385	0.5
149.02361	1.5
150.03101	1.0
151.03880	1.0
162.03177	1.1
165.01852	14.2
166.02161	0.7
178.79739	0.3
179.03418	10.3
180.04176	2.8
181.33200	0.3
193.06540	1.5
210.06845	0.4
212.03221	0.7
213.05473	0.7
221.05989	0.7
227.03200	0.4
241.05057	0.5
253.08611	1.3
255.03152	0.5
256.03769	0.9
256.07349	0.8
271.09756	53.6
271.22687	1.6
272.10083	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96688	0.4
65.03838	5.9
67.01774	0.7
67.22025	0.3
77.01152	0.4
77.01685	0.4
80.02562	0.8
81.03372	0.4
83.74590	0.4
84.05170	0.4
91.05412	15.5
93.03340	4.5
95.01257	0.6
96.02045	1.0
98.20588	0.6
103.05434	0.5
107.04914	0.7
108.02061	14.5
109.02840	66.3
110.03200	1.2
111.00799	2.1
114.91500	0.4
119.04932	1.6
121.02847	18.8
122.03611	1.4
122.34680	0.4
123.04414	14.3
124.04778	0.5
125.02364	0.6
128.01053	1.2
129.28841	0.5
131.60075	0.4
133.02855	3.8
134.03644	13.2
135.04424	90.5
136.04745	2.8
146.03656	0.7
147.04431	18.6
148.05165	1.6
149.05997	20.1
150.06320	0.8
159.04503	0.4
160.05325	0.9
161.02310	0.4
162.03055	0.4
169.06534	0.4
170.07295	0.7
171.04462	1.0
172.05215	1.3
173.05978	1.0
185.06107	0.9
186.06789	2.8
187.07541	1.5
196.05235	1.2
197.06013	7.2
199.03944	3.4
203.10674	1.8
210.06805	0.9
211.07590	2.0
212.08392	4.3
213.05539	3.8
214.06306	6.0
223.03961	0.6
225.09132	0.5
227.03459	0.9
227.10779	0.7
229.08653	4.8
236.09483	0.4
237.05553	1.0
238.06276	4.4
239.07024	1.0
241.05035	9.9
242.05421	0.6
243.10170	0.4
253.08691	3.7
254.08932	0.4
255.06625	1.8
256.07382	10.2
271.09753	100.0
272.10074	8.7
288.43460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
52.60927	2.0
55.01753	6.1
59.01252	12.7
59.01503	2.5
66.68480	2.2
69.03360	2.5
71.01259	22.0
71.57727	4.3
72.99167	5.1
80.92943	2.6
82.64994	2.4
83.01251	13.0
83.04884	2.3
85.02827	7.5
95.04848	3.0
96.99229	2.7
97.06479	24.2
99.00777	6.9
99.04393	2.8
108.02076	4.5
109.06483	5.7
111.08029	6.6
113.02313	4.2
119.00265	2.3
121.02834	3.1
121.06483	3.3
122.03623	5.2
123.08036	6.1
124.98680	15.1
125.02317	3.9
125.05965	9.7
125.09645	14.9
130.08607	2.9
135.08025	2.6
137.05949	6.0
137.09644	6.5
139.07561	21.8
141.09137	7.8
142.99765	44.8
151.07542	7.0
153.05493	6.3
153.09109	15.1
154.99771	49.1
165.05513	2.9
165.09045	3.1
169.08601	9.4
173.00838	88.8
174.01642	5.7
197.04500	43.5
197.08203	5.9
198.04826	3.8
209.08167	12.5
222.95827	2.8
223.06013	3.3
227.09215	4.3
227.12921	3.3
241.04823	6.0
241.07147	61.7
242.07440	3.3
256.07404	4.4
271.02472	3.8
271.08215	100.0
271.11490	5.8
271.22791	8.0
272.08569	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	271.0976
Annotation	Neovestitol
Peak:m/z	Relative Intensity
51.61211	0.3
55.21347	0.3
58.25451	0.3
65.03828	1.3
67.01767	0.4
67.74944	0.3
69.03345	0.3
69.26171	2.8
80.02548	0.9
81.03331	6.7
86.76666	0.3
91.05417	1.9
93.03359	0.3
105.40689	0.3
106.67095	0.3
107.04921	0.8
108.01283	0.5
108.02055	22.2
109.02838	100.0
110.03171	2.9
121.02844	5.7
122.03175	0.3
123.04409	13.5
124.04741	0.3
125.02341	0.6
133.02866	1.6
133.73865	0.3
134.03630	0.9
135.04416	1.2
143.04968	0.3
147.04475	1.7
149.05978	1.1
165.21980	0.3
167.08574	3.9
169.06522	0.7
183.04393	0.4
185.06000	1.9
196.05170	0.3
197.05946	0.8
199.07571	1.6
201.38670	0.3
211.07588	11.1
211.09625	0.6
212.08197	1.5
213.05547	0.9
227.07028	1.0
227.10686	1.8
228.07768	1.1
240.41927	0.3
243.10252	2.0
255.06551	0.6
256.07233	0.6
271.09753	21.0
271.22861	0.5
272.10126	1.6
280.77563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11026	0.3
53.85992	0.3
60.00744	0.2
61.40249	0.3
62.84058	0.2
64.28966	0.3
69.32745	0.7
69.33147	2.6
80.02541	1.7
93.03336	0.7
108.02053	46.1
109.02296	0.6
109.02892	0.9
109.85696	0.3
119.04906	0.7
121.02843	4.9
123.04408	100.0
124.04745	3.6
125.02347	0.3
133.02834	0.9
136.01497	1.5
137.02350	2.0
139.03934	0.3
147.00742	0.3
147.04417	0.9
148.01607	0.3
149.02361	2.9
150.03082	0.5
151.03941	0.5
161.02338	0.5
162.03127	1.1
165.01834	13.4
166.02148	0.5
167.90269	0.3
179.03409	10.7
180.04219	2.9
192.28685	0.3
193.06500	1.2
202.41974	0.3
210.06892	0.3
212.03210	0.7
221.06061	1.1
240.19562	0.4
253.08589	1.5
256.03717	0.8
271.06375	2.4
271.09744	48.2
272.10120	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69326	3.4
53.50987	4.0
58.12949	3.8
59.01260	4.3
69.52679	11.3
69.53110	16.2
71.01255	8.2
71.39067	4.3
72.99174	5.5
74.02352	7.1
83.01247	8.0
85.02836	4.4
97.06462	5.4
98.19868	7.2
99.00761	8.8
109.06487	9.4
112.98690	10.4
123.08076	3.9
124.53061	4.9
125.02291	5.4
125.09616	6.7
127.87395	3.4
128.03432	8.1
137.05977	6.4
139.07527	4.6
142.99814	6.1
143.04507	9.1
145.80437	3.8
153.05450	7.6
153.09067	14.6
174.00194	7.8
174.01625	100.0
174.03145	6.2
175.02066	6.7
193.05107	5.4
197.08087	8.5
203.41612	3.4
227.09235	11.3
258.97879	3.4
271.08276	7.9
271.22922	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
55.01760	3.4
57.03317	3.7
59.01237	3.7
68.99683	3.8
71.01257	10.3
72.99173	2.4
73.02831	1.6
75.53851	1.2
81.03329	2.1
83.01267	11.0
83.04910	2.7
85.02823	7.5
88.03906	2.7
95.04910	3.0
97.06451	9.3
98.20711	1.8
99.00769	6.3
99.94979	1.3
108.02070	3.7
109.02853	1.7
109.06485	4.8
111.08030	2.7
118.51709	1.2
121.06472	1.7
122.03661	1.8
123.08072	7.2
124.98730	2.4
125.02355	2.2
125.05976	8.2
125.09620	56.7
126.09928	1.5
135.08052	5.8
137.06004	9.0
137.09605	2.9
139.07594	3.0
141.09081	3.3
142.99771	5.3
143.10686	2.1
147.13274	1.2
151.07498	1.8
153.05450	7.3
153.09106	21.6
154.99751	5.6
165.05499	3.8
169.08694	5.8
171.10219	2.4
173.00833	6.3
174.01601	9.4
178.50406	1.3
179.07062	1.3
183.10168	1.5
197.04489	4.9
197.08153	11.0
227.09128	3.7
241.07195	4.2
271.08243	100.0
271.22812	2.2
272.08569	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	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.4
59.01247	10.9
69.03328	3.0
71.01266	11.1
72.99190	8.8
79.24123	2.5
83.04915	4.5
87.00771	4.1
88.75350	2.5
94.02835	2.7
97.06476	4.5
97.98190	2.4
98.20652	6.8
99.00754	11.7
107.04882	4.3
108.02052	4.2
109.02886	4.3
109.06477	8.7
112.98682	7.4
124.98665	4.0
125.02383	6.5
125.05997	4.4
127.07523	3.9
130.08621	19.5
137.05978	8.4
139.07538	4.2
142.99768	25.0
144.99994	2.7
149.06004	6.1
153.05515	15.5
155.07050	5.9
165.05522	2.9
167.07106	3.7
173.00812	3.9
174.01624	100.0
183.06587	3.4
185.16547	10.5
193.04997	15.7
197.11717	3.4
211.06126	3.4
230.57245	2.8
271.02536	11.7
271.05920	5.0
271.10794	11.1
271.15878	11.6
271.22784	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01247	0.9
63.02269	12.7
64.02604	0.7
65.00196	22.3
69.02841	0.6
69.46160	4.2
69.46572	1.1
83.01260	13.5
93.03342	17.5
107.01273	35.1
108.01571	0.8
117.03426	1.0
119.04920	92.1
120.05221	3.7
121.02852	1.4
123.04459	0.7
125.02319	3.3
143.04889	1.1
145.02867	2.0
151.00278	80.7
152.00606	3.3
161.05946	1.4
165.01837	5.0
165.05498	2.6
169.01344	8.0
174.01651	0.7
177.01857	11.5
185.05980	1.4
187.03963	3.3
227.07060	2.3
229.05209	1.1
271.06131	100.0
272.06430	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
62.58767	0.5
63.02267	11.6
64.77238	0.5
65.00195	21.9
66.00538	0.5
71.78699	0.5
83.01256	14.1
93.03342	14.9
98.19814	0.9
107.01273	34.6
109.02850	0.9
115.80670	0.5
119.04917	90.9
120.05263	3.1
121.02850	1.3
125.02364	2.2
137.02318	0.9
143.04950	0.9
145.02814	1.2
151.00278	80.5
152.00641	2.3
161.06009	1.2
165.01849	4.8
169.01312	7.0
174.99110	0.7
177.01839	11.5
177.03300	0.9
185.06062	1.9
187.03885	3.0
206.65916	0.6
227.07169	1.4
229.35658	0.6
271.06119	100.0
271.22720	0.6
272.06442	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80675	0.8
56.69333	0.7
57.03321	1.6
59.01254	100.0
60.01618	1.1
86.34885	0.8
91.21143	0.9
92.36233	0.7
95.04932	1.3
98.19755	1.6
99.04408	3.5
108.45987	0.7
165.12770	9.9
171.10138	1.0
189.12842	1.5
207.13863	13.9
208.14268	1.3
209.11761	20.7
210.12125	1.0
213.14900	1.5
225.14922	9.4
225.22217	1.4
233.11830	1.3
241.14363	4.0
251.12872	10.4
253.04965	1.4
254.05646	0.9
269.04523	3.1
269.08011	2.9
269.13953	48.7
269.17386	3.1
269.21237	10.3
269.24878	4.0
269.66083	0.8
270.14294	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27136	0.4
59.01255	4.8
68.21402	0.4
71.01279	0.7
71.58662	0.5
73.02858	0.5
73.35909	0.4
80.02565	1.0
85.96227	0.4
88.03883	0.4
91.01806	0.8
93.03332	0.4
95.01289	1.1
107.01276	1.1
108.02060	7.0
111.08026	0.4
116.02602	0.4
117.03363	5.8
119.04923	4.2
123.04420	1.3
133.02896	0.7
133.06509	1.3
135.00810	1.1
136.01598	3.1
143.04944	0.5
145.02863	10.5
146.03224	0.7
148.01546	2.5
155.10709	1.0
161.02354	7.2
165.12759	2.0
169.06516	0.6
169.31203	0.4
180.00555	2.2
181.06523	0.8
183.04482	1.6
184.05238	1.3
185.05888	0.4
186.95615	0.9
189.12784	0.5
197.06009	0.9
207.13882	1.2
208.05275	0.5
209.06035	3.0
209.11800	1.0
211.03986	3.0
212.04637	0.8
213.14938	2.1
225.05522	12.3
225.14890	1.4
226.06248	3.2
227.07111	5.0
237.05524	5.7
241.04997	0.6
241.14372	3.1
251.12801	2.6
253.05045	69.6
254.05702	16.8
255.06181	1.1
269.08182	100.0
269.13940	5.7
269.17651	2.1
269.21228	6.8
269.24774	1.8
269.27423	0.5
270.05533	0.8
270.08514	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	4'-Methylliquiritigenin
Peak:m/z	Relative Intensity
59.01244	1.2
65.00187	1.1
91.01772	48.5
92.02101	1.3
98.20562	1.6
121.02866	2.2
122.06004	0.7
132.02118	1.4
135.00778	56.7
136.01094	1.5
153.01849	51.8
154.02193	1.6
171.10184	3.4
186.95438	1.4
225.22191	0.7
239.03450	2.7
251.16537	1.6
254.05847	12.5
255.06149	1.4
269.04797	4.5
269.08182	100.0
269.17673	2.7
269.21237	6.6
269.24802	3.0
270.05344	1.1
270.08502	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
62.96283	6.4
64.50095	0.3
71.06606	0.3
71.06933	0.6
77.12994	0.3
81.74129	0.3
99.39478	0.3
108.02070	2.0
117.03305	0.3
121.02827	0.8
123.04424	0.9
132.02083	1.3
133.02849	1.2
145.02841	1.4
148.38104	0.3
161.02388	0.3
162.96144	0.2
169.14326	0.3
171.04355	0.3
177.74103	0.3
181.06519	0.7
183.04466	1.0
184.05232	0.9
185.06079	2.0
186.06761	1.4
186.95367	0.3
195.04453	1.2
197.05978	0.4
198.06871	0.5
208.05315	0.4
209.06026	5.1
210.06816	4.8
211.03938	3.9
211.07024	0.5
212.04594	0.9
224.04805	0.3
225.05521	5.4
226.06274	2.2
227.06493	0.3
235.03966	0.3
236.04817	0.3
237.05565	0.8
239.03481	1.9
244.81021	0.3
253.05045	6.4
254.05836	100.0
255.06175	7.1
266.60178	0.3
269.08203	37.1
269.13092	3.3
269.21271	1.3
269.24582	0.5
270.08530	2.7
270.13333	0.5
290.93210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	9.3
57.03332	10.0
58.00470	2.5
59.01256	49.7
59.69452	1.2
69.03332	1.5
71.01258	100.0
71.57347	1.4
72.99168	6.3
73.02818	38.7
74.40710	1.1
75.00762	1.7
83.01257	18.5
85.02826	51.9
87.00763	4.8
89.02312	3.9
92.56213	1.1
95.01274	7.5
97.02817	2.1
99.00760	12.6
101.02327	75.4
107.04891	1.9
113.02336	37.7
125.02380	2.3
129.01810	1.7
138.52045	1.3
143.03424	2.6
158.30522	1.3
159.02888	4.4
161.04466	16.7
189.69411	1.2
240.44125	1.2
269.04471	1.2
269.10327	4.6
269.13916	1.9
269.21231	14.4
269.24924	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	269.0454
Annotation	Genistein
Peak:m/z	Relative Intensity
50.43372	0.1
52.15088	0.1
59.01246	0.1
63.02267	3.4
65.00198	1.9
71.35405	0.2
71.35750	0.3
77.38915	0.1
83.01259	0.4
83.42091	0.1
89.00204	0.6
91.01773	1.6
96.95863	0.2
107.01272	2.6
109.02792	0.2
117.03384	0.3
118.95406	0.1
123.04418	0.6
131.04932	0.3
132.02068	1.0
133.02852	7.5
133.48332	0.1
134.03137	0.2
135.00790	0.6
135.04417	1.9
141.03424	0.2
143.04900	0.2
151.00259	0.5
153.01857	0.3
155.04926	0.7
156.05692	0.3
157.02866	1.3
157.06401	0.2
158.03532	0.2
159.04428	3.1
159.05731	0.2
160.04747	0.2
161.02301	0.3
167.04927	0.2
169.06503	0.9
171.04410	0.6
173.06036	0.3
180.05763	1.7
181.06499	2.1
182.03630	0.7
182.06862	0.3
183.04411	2.4
195.04437	0.3
196.05244	1.0
197.06078	1.0
199.03954	0.9
201.05507	2.1
213.05486	0.9
216.13577	0.2
223.03986	0.6
224.04712	2.0
225.05553	1.6
227.03461	0.6
239.03322	0.2
240.04239	0.5
241.05089	0.6
268.03754	0.3
269.04550	100.0
269.21240	1.5
269.24878	0.5
270.04895	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44516	0.2
59.01251	0.6
63.02270	3.5
64.02579	0.2
64.99882	0.2
65.00191	1.8
65.23399	0.1
72.58539	0.2
78.21816	0.2
83.01252	0.3
89.00198	0.5
91.01768	1.5
107.01270	2.7
113.22832	0.1
117.03308	0.2
119.36106	0.1
123.04395	0.5
130.04131	0.2
131.04932	0.2
132.02080	0.8
133.01833	0.4
133.02855	7.4
134.03220	0.2
135.00780	0.7
135.04391	1.9
141.03424	0.2
145.02840	0.2
151.00249	0.6
153.01898	0.3
155.04991	0.8
156.05757	0.3
157.02838	1.0
157.06477	0.3
159.04417	3.0
161.02376	0.4
168.05695	0.3
169.06497	1.1
171.04414	0.4
173.05992	0.5
180.05707	1.6
181.06499	2.1
182.03651	0.4
182.06801	0.2
183.04460	2.0
195.04459	0.4
196.05185	1.1
197.06003	1.0
198.03053	0.2
199.03952	1.0
201.05496	2.0
209.11739	0.3
212.72195	0.2
213.05525	1.1
223.03946	0.4
224.04730	1.9
225.05452	1.5
226.02681	0.2
227.03477	0.5
239.03430	0.4
240.04222	0.5
241.05022	0.6
268.03723	0.2
269.04553	100.0
269.21204	0.9
270.04892	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	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.89824	0.8
57.03325	3.8
59.01255	100.0
59.14721	0.8
60.01582	1.2
63.46934	0.8
69.32442	2.5
69.32864	6.4
71.01250	2.4
71.04901	1.0
77.50243	0.8
81.31316	0.7
82.29250	0.8
83.04916	1.2
85.02825	1.4
86.16949	0.8
87.00772	1.6
89.02314	0.8
93.73701	0.8
113.02312	1.1
155.97581	0.9
161.13246	2.0
163.11189	1.2
207.10266	2.6
223.03853	1.2
223.13373	32.0
224.13716	1.8
249.14938	1.2
251.03468	1.4
252.04231	6.0
267.06775	5.7
267.12418	2.2
267.15891	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	269.0456
Annotation	Genistein
Peak:m/z	Relative Intensity
50.66964	0.1
57.17110	0.1
63.02266	2.9
64.99854	0.2
65.00193	2.1
79.01735	0.1
83.01254	0.4
84.02721	0.1
87.04383	0.6
89.00212	0.5
91.01778	1.4
93.03369	0.2
95.01244	0.1
98.20545	0.4
99.04397	0.1
107.01275	3.1
108.02058	0.3
111.98102	0.1
115.74277	0.1
117.03352	1.7
119.04861	0.1
121.02847	0.2
123.03654	0.1
123.04388	0.7
130.04132	0.2
131.04950	0.2
132.02097	0.8
133.02852	7.4
134.03215	0.2
135.00824	0.6
135.04419	1.6
140.76280	0.1
141.03311	0.2
143.04877	0.2
145.02870	0.1
149.02364	0.6
151.00293	1.1
153.01912	0.1
154.04091	0.2
155.04958	0.6
156.05710	0.3
157.02884	1.2
157.06447	0.2
158.03641	0.2
159.04428	3.0
160.04813	0.3
161.02361	0.3
167.04926	0.2
168.05704	0.2
169.06490	1.1
171.04456	0.4
173.02425	0.1
173.06017	0.4
180.05727	1.6
181.06516	2.5
182.03671	0.4
182.06789	0.1
183.04445	1.9
184.05026	0.2
185.05962	0.2
186.81441	0.1
195.04443	0.4
196.05211	0.9
197.05983	1.3
199.03992	0.9
201.05528	2.4
209.06032	0.2
210.06737	0.3
211.03954	0.3
213.05505	0.7
223.03989	0.3
224.04739	2.1
225.05519	2.0
226.05789	0.2
227.03603	0.6
229.68124	0.2
237.05531	0.2
239.03511	0.4
240.04210	0.6
241.05093	0.6
253.05020	0.3
254.05821	3.2
254.08424	0.2
255.06190	0.2
268.03754	0.2
269.04550	100.0
269.21173	0.5
270.04895	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	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.67883	2.2
57.03325	15.1
59.01252	88.5
66.28474	2.4
67.01770	2.6
69.03320	6.6
69.59008	20.0
71.01248	18.6
72.99199	2.9
73.02805	3.0
75.00758	4.3
83.04893	7.4
85.02823	8.3
87.00757	4.4
89.02351	3.9
95.04910	24.7
97.06467	44.3
98.20537	3.0
99.00797	3.4
101.02354	4.9
107.04913	23.8
107.08555	13.2
108.47793	2.7
109.06487	18.8
113.02335	9.7
113.05959	11.6
123.07977	3.4
125.09624	7.9
133.10155	6.3
141.05482	57.4
151.11136	3.2
153.05450	3.3
161.13268	34.4
162.13611	2.9
163.11240	3.2
169.08588	3.5
179.14331	5.0
179.17416	2.7
187.11206	4.2
205.12280	38.6
223.13358	100.0
224.04723	10.1
224.13676	7.8
251.03659	3.1
252.04224	27.4
253.04623	4.9
267.06729	30.2
267.12372	79.9
267.15472	4.9
268.12772	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	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.69955	0.8
52.86562	0.7
57.03319	3.2
59.01252	100.0
60.01587	1.1
71.01253	1.3
71.04903	1.4
83.04906	1.4
85.75063	0.7
87.00770	1.7
101.87614	0.7
127.86573	0.8
127.91460	0.8
130.03995	0.9
161.09608	1.0
161.13307	2.3
163.11098	1.2
165.30478	0.7
195.13776	1.2
205.12267	2.0
207.10266	2.7
222.41730	0.8
223.13350	30.5
224.13637	1.6
239.13034	0.9
267.03030	0.8
267.06851	0.9
267.12390	4.7
267.16046	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
51.48863	1.3
57.03338	8.1
59.01258	37.8
69.45621	10.2
71.01257	68.7
72.99187	9.9
73.02814	2.2
75.00751	27.3
83.01246	2.3
85.02828	59.7
87.00747	22.9
89.02317	15.1
91.03869	2.0
95.01285	8.8
96.95881	4.8
99.00758	14.4
99.04377	1.4
101.02332	2.6
103.00246	5.0
113.02338	69.2
114.02653	1.4
115.00230	2.3
117.01793	4.7
129.01839	4.1
133.02808	1.9
134.03587	2.3
144.67422	1.5
160.01566	2.9
175.02351	3.8
177.01698	2.2
179.07040	2.5
249.06111	7.5
252.06311	2.8
267.07153	100.0
268.07541	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	267.0908
Annotation	moclobemide
Peak:m/z	Relative Intensity
57.40596	0.2
59.01256	0.5
61.04125	0.3
71.01249	0.5
71.15922	0.5
71.72296	0.3
76.71987	0.4
79.95605	7.5
85.02795	0.4
96.95889	100.0
97.91845	0.3
113.02335	0.3
140.62253	0.3
192.87971	0.3
267.09076	65.3
268.09424	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	264.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33033	0.7
56.50354	0.6
59.01236	1.0
69.25456	8.9
78.08644	0.7
82.78237	0.8
84.04408	0.8
94.06538	0.8
95.03666	1.0
95.04906	4.7
100.03922	5.0
102.05497	3.9
107.03690	1.4
107.04919	5.9
109.06428	0.8
112.03931	1.5
115.26727	0.7
121.05190	0.7
121.06512	1.7
122.03623	0.8
122.97280	0.8
123.04433	0.8
123.08072	1.3
131.06989	0.6
132.04465	3.2
132.08058	0.8
133.06483	4.6
134.06017	49.4
135.06837	7.8
135.07765	1.2
137.06018	0.9
148.03871	0.8
148.07605	3.8
150.09146	5.1
151.07571	10.1
157.30716	0.8
160.07516	1.5
163.07536	1.0
174.09070	0.8
176.10738	4.7
178.08659	100.0
179.08995	4.7
190.12305	0.8
202.12331	1.7
220.13354	4.4
221.11847	0.9
246.11375	1.8
264.12415	11.3
265.14566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
50.60627	0.5
54.12478	0.6
54.86230	0.5
59.01220	0.7
69.31332	5.4
71.01248	0.6
74.59254	0.5
85.45865	0.6
96.95899	9.6
103.81503	0.5
129.15582	0.6
143.16231	0.6
221.18570	0.6
237.16003	0.6
265.14948	6.9
265.21710	100.0
266.22046	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	267.0662
Annotation	Formononetin
Peak:m/z	Relative Intensity
50.45784	0.2
69.28733	0.2
69.29134	2.1
71.25515	0.2
85.72537	0.2
91.01768	1.8
94.65829	0.2
98.20544	0.5
108.02065	0.5
132.02078	9.1
133.02431	0.3
135.00789	3.8
135.54784	0.2
142.97995	0.2
153.01826	1.1
167.04912	0.6
173.86897	0.2
180.05742	0.7
195.04463	8.0
196.05113	1.0
208.05278	4.7
223.03967	22.6
224.04660	6.6
225.05016	0.5
239.03459	0.2
251.03494	15.0
252.04262	100.0
253.04599	8.8
267.06622	70.1
267.12524	0.5
268.06964	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	267.0663
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01254	0.4
60.07413	0.2
69.58362	0.2
71.38928	0.3
91.01748	1.6
104.02542	0.2
108.02055	0.5
123.28908	0.2
132.02071	9.9
133.02426	0.3
135.00787	4.1
136.01151	0.3
153.01846	1.4
167.04935	0.7
180.05727	0.6
195.04460	8.0
196.05026	0.9
196.84453	0.2
208.05251	4.5
209.05542	0.3
223.03970	22.4
224.04689	6.3
225.05103	0.4
239.03413	0.5
251.03485	14.9
252.04263	100.0
253.04597	8.0
267.06625	85.5
268.06976	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	267.072
Annotation	formycin b
Peak:m/z	Relative Intensity
57.03329	6.5
58.00448	3.2
59.01255	44.1
69.41988	23.0
69.42397	4.3
71.01254	74.2
72.99188	10.8
75.00741	29.1
85.02828	67.0
87.00750	24.5
89.02317	17.2
89.93162	2.9
95.01255	12.1
99.00755	15.0
102.25068	2.6
103.00240	6.8
105.03300	3.6
113.02332	73.3
115.00243	3.4
117.01796	3.7
129.01846	4.3
132.02081	6.9
133.02864	37.5
134.03635	15.2
148.05251	2.6
149.05971	17.1
152.07082	6.0
157.01341	3.1
160.01569	20.8
175.02472	4.7
175.03915	25.9
177.01843	14.0
184.22305	3.0
193.04869	13.5
249.06146	7.4
252.06458	27.0
267.06897	100.0
268.07410	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	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
53.60230	1.7
55.01740	2.0
57.03318	6.5
59.01251	34.4
63.58959	1.8
63.99439	1.4
68.99696	1.7
69.77982	7.0
69.78397	3.7
71.01254	60.8
72.99171	5.3
73.02824	4.7
75.00751	19.3
83.01271	2.4
85.02824	44.2
87.00757	21.1
88.03923	1.9
88.63516	1.7
89.02308	21.2
95.01261	7.5
96.89530	1.5
96.95872	3.3
97.72744	1.5
99.00758	12.0
101.02314	13.2
103.00272	2.3
105.05490	2.0
113.02334	58.0
114.02677	1.9
115.00232	2.5
116.49294	1.5
117.01820	3.8
119.03364	2.5
129.01848	2.7
131.03381	2.5
132.02982	2.3
149.04335	1.7
161.04448	4.3
175.02322	2.9
207.05058	2.4
249.05986	3.2
267.07199	100.0
268.07651	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	262.0721
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
59.01246	3.2
70.88862	1.8
71.01263	12.2
77.36546	0.8
79.39799	0.8
82.14286	0.7
103.58558	0.8
114.99464	1.4
115.00266	22.8
126.09941	1.7
131.04959	6.1
146.06026	100.0
147.04430	20.4
147.06253	4.1
148.04849	0.7
156.08110	6.7
156.86859	0.7
172.07565	0.8
174.09169	4.9
188.10017	2.0
200.07120	11.3
218.08179	51.2
219.08492	3.9
262.07214	38.6
263.07492	3.6
263.12894	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11986	2.0
54.78367	1.8
59.00950	4.8
59.01251	100.0
60.01616	2.8
69.54468	16.5
73.66000	1.8
75.39293	1.8
75.71671	2.1
89.11833	2.4
98.20553	2.0
101.02363	2.1
148.24225	2.0
172.18925	2.0
256.81403	1.9
263.12820	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10076	4.3
59.01254	100.0
71.01281	5.1
71.07456	8.6
82.26560	3.9
98.20758	4.3
151.84486	4.4
216.49419	4.8
219.13882	5.4
263.12851	9.6
263.16513	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20791	3.7
51.11997	3.5
51.78279	3.8
52.53986	3.5
57.18421	3.4
59.00951	5.9
59.01249	100.0
63.46967	4.0
70.35173	12.6
129.85733	3.7
203.13565	4.4
263.12854	5.0
263.16553	8.3
263.90451	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86265	3.3
54.05769	3.4
59.01251	100.0
64.86082	3.8
65.89472	4.1
70.80103	3.7
71.01270	4.1
71.14639	3.3
76.22736	4.1
96.95889	3.7
98.19783	9.8
109.31921	4.4
121.16348	3.3
165.39061	3.8
219.13872	6.4
223.91496	3.8
237.08511	4.0
263.09427	10.7
263.12924	22.7
263.16205	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66152	1.6
53.66550	1.6
57.03331	3.5
57.71262	2.0
59.01245	3.4
59.49781	1.8
66.86026	1.7
70.13681	6.5
71.01253	6.0
79.05423	1.7
79.24608	1.8
83.04903	6.4
97.02837	10.9
97.06559	1.8
105.06976	5.6
107.04922	4.2
108.05688	5.3
109.02860	9.7
109.06496	5.5
111.04417	16.6
113.05984	11.4
115.67414	1.8
118.42062	1.6
119.08563	7.0
121.06512	5.1
122.03642	20.0
123.04419	2.2
123.08067	7.8
125.05968	20.6
129.54659	1.9
135.08051	3.8
136.05203	25.6
137.06012	10.9
137.09683	3.5
138.06766	26.2
139.07547	40.5
147.08134	2.4
148.05205	10.7
149.05988	4.0
151.07556	86.7
152.04697	8.9
152.08357	47.9
153.09109	12.4
159.11743	5.5
161.09630	10.7
163.07574	13.6
164.08263	2.2
167.06982	4.2
170.05759	3.0
173.09483	1.9
185.09708	2.8
186.10355	2.9
188.08357	3.4
189.09151	12.9
201.12796	31.7
201.14609	3.1
202.13109	3.7
203.10716	30.6
203.12495	3.2
204.11491	75.0
205.11877	3.2
219.13861	100.0
220.14249	7.9
227.46736	1.8
263.12860	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
58.83298	0.3
59.01255	1.9
59.36236	0.3
66.09013	0.3
71.01239	0.7
71.21764	0.3
96.17950	0.3
100.72172	0.3
108.69149	0.3
133.80415	0.3
176.32492	0.3
181.54497	0.3
183.12238	0.4
196.81448	0.3
216.99356	0.3
219.21133	0.9
229.81439	0.4
245.19058	0.8
261.18622	0.7
263.20148	100.0
264.20486	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	255.0886
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
57.03330	1.6
59.01251	1.1
69.57751	4.4
71.01250	1.9
73.02821	19.6
109.06490	1.1
121.06461	3.0
123.08032	2.7
133.55107	0.6
135.08054	2.6
137.09622	44.2
138.09985	2.0
139.07507	1.4
139.11150	1.2
149.09627	2.3
162.79628	0.7
163.46373	0.6
167.10722	1.3
175.11195	2.0
193.12245	2.6
196.07506	0.7
197.05869	6.7
211.13393	3.5
212.08244	7.3
229.04834	1.1
240.06491	13.3
241.06920	1.3
255.08861	100.0
255.12321	27.4
255.23270	76.4
256.09113	8.5
256.12634	2.1
256.23596	4.9
272.05472	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	255.1025
Annotation	Broussin
Peak:m/z	Relative Intensity
60.44542	0.4
61.25612	0.4
93.03336	0.7
95.04915	1.5
98.19661	0.9
106.04131	8.7
107.04962	0.6
108.02028	4.2
109.02841	0.6
109.48851	0.5
112.66927	0.4
121.01965	0.9
121.02843	16.9
122.03144	0.7
123.04417	6.4
133.02852	100.0
134.03673	4.8
138.03137	1.3
147.04433	1.1
199.76022	0.5
211.07550	0.5
225.05553	1.5
239.07106	9.4
240.07921	3.5
255.10249	95.9
255.23267	27.4
256.10574	8.9
256.23682	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15834	0.6
57.03318	2.0
59.01241	1.0
70.74556	1.2
71.01257	1.8
71.76960	0.5
73.02822	25.4
74.46243	0.7
78.22013	0.5
83.70254	0.6
86.26269	0.5
95.04930	0.8
97.06470	1.0
104.36609	0.6
109.06475	1.8
111.47359	0.5
121.06487	3.8
123.08054	3.0
135.08058	2.3
137.09627	55.0
138.09969	3.1
139.11195	1.6
149.09642	1.3
167.10703	0.8
169.52121	0.5
175.11194	1.7
175.14758	0.5
184.08675	0.7
185.79350	0.6
193.12291	3.8
197.05888	4.9
211.13347	4.0
212.08200	6.2
229.04846	1.1
230.14848	0.6
237.11374	1.3
240.06512	14.4
241.06917	0.9
255.08862	100.0
255.12329	33.8
255.23273	72.1
256.09158	8.2
256.12668	2.6
256.23660	4.4
272.05438	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	257.0819
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.29158	0.5
59.01260	0.8
65.03831	2.6
69.33904	0.5
69.34174	5.3
79.01801	0.7
79.05419	1.0
81.03321	1.0
83.04900	1.5
89.99453	0.5
91.42675	0.6
93.03344	9.9
95.04930	1.7
98.19828	1.1
106.04125	26.0
107.04916	55.1
108.02050	11.5
108.05250	1.8
109.02842	1.8
111.04414	1.0
119.04902	1.1
121.02853	14.9
138.03134	3.5
151.03888	3.8
160.58713	0.5
171.08072	2.2
211.07594	1.5
213.09160	84.6
214.09476	6.5
256.23608	2.7
257.08179	100.0
257.23901	1.4
258.08542	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
52.15862	0.6
57.03331	4.4
59.01244	1.9
71.01260	1.1
74.02354	1.6
87.05505	1.2
91.03860	0.8
97.06470	12.2
99.05524	0.9
112.03890	0.7
113.03493	0.9
123.08054	5.3
125.09615	100.0
126.09902	4.2
140.07059	0.7
143.10693	1.3
155.08208	0.8
165.06601	1.0
169.08620	2.8
174.12772	1.2
175.17021	0.7
183.07668	1.6
187.09686	85.8
188.09981	3.8
219.12103	0.9
227.06686	1.2
261.13364	20.1
261.22214	1.4
262.13760	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	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
52.57381	2.3
57.03326	21.2
59.01249	21.9
60.99189	4.8
69.03330	2.7
69.93703	6.3
69.94123	10.5
71.01263	4.1
71.77918	2.5
79.05408	3.2
81.03330	3.6
83.04907	7.4
85.02833	10.8
89.50337	2.9
94.22996	2.9
95.04922	4.7
96.16708	2.3
96.95901	3.1
97.02828	4.5
97.06481	7.7
107.04922	10.0
108.02104	3.6
109.02863	3.4
109.06474	16.4
111.04447	4.4
113.02322	2.9
121.06474	15.4
122.03638	7.5
133.06491	17.5
135.04395	4.8
136.05243	5.0
137.06006	10.8
145.06561	3.9
147.08081	23.5
149.05922	3.4
149.09630	26.4
157.06505	14.0
158.07263	3.3
158.71429	2.5
165.09114	9.5
171.08121	5.7
173.09641	61.9
174.09988	5.1
175.07576	8.1
176.08360	4.1
189.09149	2.5
191.10712	33.3
193.07129	2.7
197.45425	2.8
205.75618	2.9
228.03696	2.9
253.10832	100.0
253.21672	6.1
254.11110	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	253.1079
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
55.01732	0.7
57.03323	10.8
59.01248	7.4
60.99171	1.9
62.49073	0.7
65.03832	1.1
69.03318	2.1
69.74841	5.0
71.01250	1.2
71.04894	0.9
81.03321	2.8
83.04871	4.9
85.02822	8.8
89.02293	0.9
93.03358	1.4
95.04894	3.3
97.02838	2.3
97.06469	5.4
97.22210	0.7
107.04905	5.0
108.02060	2.2
109.02849	1.3
109.06482	9.8
110.03542	1.0
110.06860	0.8
111.04416	1.7
111.84593	0.7
113.02320	2.0
121.06470	11.1
122.03651	4.1
123.04414	1.9
123.08046	2.5
124.05180	0.9
131.08601	1.4
133.06483	12.4
135.04425	1.8
136.05191	2.5
137.06027	5.2
139.07561	2.1
145.06477	2.4
147.08064	15.2
149.06017	1.9
149.09621	18.1
151.07561	1.1
153.05466	1.3
157.06473	9.5
158.07344	0.9
161.06042	0.8
163.11206	1.0
165.05450	2.3
165.09108	9.5
167.10687	1.7
171.08040	3.2
173.09641	46.9
174.10014	2.2
175.07581	5.2
176.08325	1.9
189.09088	1.6
191.10696	24.8
192.11090	1.4
194.09261	0.8
209.11714	1.9
253.10794	100.0
254.11168	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	253.1081
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03328	7.3
58.18930	3.2
59.01255	31.6
59.50932	3.4
65.03830	3.5
69.72559	21.7
71.01266	15.2
71.04906	2.6
72.99191	3.5
73.02827	12.5
78.72379	3.2
79.02057	3.1
89.02341	3.6
97.06487	3.3
107.04896	3.2
108.02036	4.8
109.02843	8.5
109.06509	8.9
117.67026	2.9
121.06504	6.2
122.03601	6.2
123.08047	25.3
124.05194	10.6
124.08340	3.0
125.06007	12.9
135.04413	6.9
137.05998	9.3
139.07558	17.0
145.51236	3.2
147.08061	71.6
149.05992	14.0
149.09662	9.0
151.07555	5.9
158.07275	11.5
161.02425	7.9
161.05995	9.9
163.07637	3.2
164.08354	23.9
165.05475	5.1
165.09129	87.4
166.08534	3.5
173.09644	20.4
175.07593	15.0
179.10716	4.1
191.10732	93.7
192.11073	6.4
193.04977	6.4
197.70877	3.1
208.07426	4.4
209.11777	84.1
210.12122	5.8
219.63074	2.7
235.09663	4.8
253.07117	17.3
253.10829	100.0
253.13568	5.5
253.21729	6.4
254.11143	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	253.217
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
63.51392	8.6
69.26451	100.0
74.20435	8.5
98.20561	20.4
117.63666	8.7
133.16353	8.5
170.32809	9.5
253.21674	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	255.0661
Annotation	Emodin anthrone
Peak:m/z	Relative Intensity
59.01255	0.5
63.00658	0.4
63.02273	6.2
65.00197	7.8
67.91412	0.3
68.99673	0.7
71.25046	0.4
83.01259	7.4
86.90746	0.4
95.01284	0.5
105.24460	0.3
107.01275	10.2
108.02053	0.9
117.03283	0.4
119.04918	0.3
123.00784	0.9
125.02305	0.9
127.71050	0.4
133.02818	0.5
136.01541	1.0
141.07004	1.2
145.06483	7.0
145.07558	0.5
151.00266	11.0
152.00536	0.6
159.37637	0.4
164.01050	1.4
169.01366	1.0
169.06522	2.7
170.06888	0.4
171.04437	7.3
172.05174	1.9
183.08101	1.2
185.06010	2.8
187.07600	2.6
193.15897	5.9
194.16422	0.4
196.00111	0.7
207.15076	0.4
211.07570	3.4
211.16971	26.2
212.07968	0.5
212.17372	1.9
213.05511	10.5
214.05785	0.7
227.07054	1.0
229.86871	0.4
237.14919	0.7
255.06606	100.0
255.15987	5.6
255.23276	33.3
256.06958	9.6
256.16336	0.5
256.23520	2.3
262.00708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.00074	1.1
52.40551	1.5
53.22899	1.2
55.01742	3.1
57.03309	3.1
58.00463	4.4
59.01254	100.0
59.82635	1.1
60.01584	1.4
71.01257	66.3
72.99181	4.7
73.02826	8.4
77.78970	1.0
83.01260	7.1
85.02831	15.1
87.00767	6.4
89.02321	60.5
91.03887	2.8
91.42081	1.0
95.01293	6.4
96.36505	1.1
97.02797	1.6
98.20586	2.7
99.00751	2.6
101.02328	64.7
113.02337	28.9
119.03392	15.3
125.02316	2.2
131.03375	2.5
143.03413	5.6
161.04469	23.2
172.41394	1.5
179.05537	6.5
230.17413	1.9
253.09279	55.8
254.09677	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	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79137	1.1
55.01749	3.5
57.03338	1.6
58.00467	3.3
59.01252	100.0
60.69331	1.3
66.02917	1.1
67.32549	1.0
71.01253	59.0
72.01573	1.3
72.99174	5.8
73.02825	8.8
83.01266	6.6
85.02818	14.9
87.00733	9.1
88.53027	1.2
89.02319	59.6
91.03909	1.6
95.01254	5.3
96.58589	1.2
97.02820	1.4
99.00735	1.6
101.02323	62.3
113.02330	28.2
119.03391	16.9
125.02301	1.5
131.03381	2.9
143.03416	5.1
145.75125	1.2
149.04448	1.8
161.04466	20.7
179.05544	8.3
193.07106	1.3
212.49008	1.2
229.95459	1.8
235.96938	1.1
244.17143	1.2
253.09256	53.2
253.21735	2.4
254.09573	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	253.0869
Annotation	5-Methoxyflavanone
Peak:m/z	Relative Intensity
50.93050	0.5
51.31916	0.4
52.43834	0.5
55.33739	0.5
59.01250	5.4
70.07932	2.5
71.01254	2.6
80.02538	1.5
89.02325	2.2
95.01250	1.9
101.02341	2.9
107.01257	2.4
108.02053	14.6
113.02329	1.3
136.01575	5.3
158.12054	0.5
161.01051	1.1
161.02361	13.2
161.04463	1.2
162.02696	0.8
167.61803	0.5
193.06581	1.6
193.67542	0.5
209.06021	13.6
209.15462	0.7
210.06769	4.8
237.05534	41.3
238.06212	9.4
239.06604	0.8
253.08685	100.0
253.21680	0.8
254.09019	8.5
270.05417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98999	7.9
59.01252	100.0
59.35963	8.5
68.18019	7.8
70.88540	8.3
71.01268	41.1
71.05733	16.3
72.89361	8.7
75.86435	9.9
84.35831	8.7
84.85502	8.3
85.02795	8.8
89.02325	22.3
101.02328	29.4
113.02251	10.1
193.06885	8.0
247.63852	7.4
253.09180	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	253.0927
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
58.00453	8.8
59.01252	100.0
69.64441	56.9
71.01242	30.5
73.02807	14.4
79.66840	7.6
89.02325	21.0
101.02339	23.3
113.02290	8.8
118.96742	7.5
134.03624	15.2
149.05962	9.0
174.09337	7.1
191.06946	14.9
213.67102	8.4
253.09366	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03328	1.0
59.01240	2.6
63.27557	0.6
70.86053	0.9
70.86384	1.1
71.01244	1.2
85.02843	1.1
91.01759	1.0
97.06467	1.9
98.47426	0.7
99.08036	8.3
101.02323	1.9
107.04911	2.9
123.08020	1.0
125.09616	9.5
139.11235	1.1
191.39275	0.7
192.06689	0.7
202.10771	0.7
207.17462	5.1
223.16983	9.6
224.17346	1.0
233.15385	5.8
251.16528	100.0
252.16862	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.39508	0.6
53.27863	0.7
56.70049	0.6
58.21278	0.6
59.01239	2.1
71.01315	0.6
72.62263	0.7
85.02773	0.7
98.20603	1.0
127.80392	0.5
130.74338	0.7
132.58464	0.6
140.40912	0.5
152.97543	0.6
206.05803	0.6
233.19138	1.1
250.07312	0.7
251.20143	100.0
252.20490	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	252.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07043	0.3
59.01249	4.2
64.51460	0.3
70.89175	0.7
71.01255	1.4
85.02856	0.3
89.02309	1.3
91.01772	8.6
92.02063	0.3
101.02305	1.3
104.02580	0.6
108.02048	0.9
113.02357	0.5
119.03373	0.4
132.02068	17.5
133.02414	0.6
135.00777	4.8
146.92963	0.3
153.01852	4.3
161.04448	0.8
167.04919	2.4
171.04413	0.4
180.05739	1.5
195.04449	24.1
196.04796	1.8
208.05249	6.1
209.05621	0.5
223.03963	39.9
224.04613	9.4
225.05104	0.5
238.06357	0.5
251.03477	21.7
252.04256	100.0
253.04634	9.3
253.08803	2.0
253.14345	0.6
253.18219	0.5
253.21739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1287
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
57.03333	2.4
57.15816	0.4
58.00449	0.5
59.01249	4.0
65.03805	0.6
69.03315	1.4
70.01656	0.5
71.01250	1.1
71.04881	0.5
71.58779	0.6
79.16557	0.4
79.95580	0.6
80.02529	1.0
81.03329	0.7
83.04879	2.6
85.02820	3.0
87.04402	0.7
93.03351	1.1
95.02383	0.5
95.04906	1.6
96.95889	7.3
97.06480	1.7
101.02277	0.7
106.04128	1.0
107.04901	1.1
108.02094	1.1
109.02821	0.6
109.06452	1.6
111.04404	1.4
111.07355	0.5
111.08046	1.8
113.05955	0.8
121.02842	1.0
121.06490	0.8
122.03617	0.8
123.04372	0.7
123.08064	0.7
124.05194	1.1
125.05979	5.6
132.05653	0.5
135.08055	5.7
136.05208	0.8
137.02385	0.6
137.06012	0.7
137.09636	0.5
139.03905	0.6
153.09120	1.4
161.09641	1.4
163.11192	0.6
165.09106	0.8
165.12772	4.1
175.11159	1.3
177.12788	1.6
179.10767	0.6
179.14345	3.5
187.11232	1.2
187.48944	0.5
189.12775	9.6
190.13069	1.0
191.10718	1.2
193.12299	1.2
195.13776	1.3
205.12297	7.6
206.12534	0.7
207.10287	0.5
207.13835	6.5
209.11749	0.9
215.10680	1.1
223.13358	7.0
224.13596	0.7
233.11798	8.7
233.46167	0.5
234.12036	0.7
239.56261	0.5
251.09814	4.1
251.12851	100.0
252.09523	0.5
252.10158	0.5
252.13202	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03322	0.5
59.01255	1.5
65.01215	0.4
69.03316	0.4
71.01260	1.1
80.96404	0.5
85.02885	0.5
95.04922	0.4
95.22762	0.4
97.06479	2.0
99.08038	5.9
101.02340	0.7
107.04912	3.7
109.06474	0.6
121.02833	0.4
123.08052	1.2
125.09617	8.6
131.00313	0.5
187.47348	0.4
205.15929	0.6
207.17473	4.9
215.14404	0.6
223.16998	6.7
231.83763	0.5
233.15411	5.8
251.16521	100.0
252.04126	0.6
252.16861	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	249.1494
Annotation	11beta,13-Dihydrosantamarin
Peak:m/z	Relative Intensity
59.01248	15.3
65.62938	1.4
69.02955	2.5
69.03326	51.7
70.33743	5.7
71.01246	1.6
83.04895	4.5
83.20191	1.3
93.03321	2.2
95.04889	7.1
95.22785	1.3
97.06458	2.8
97.53208	1.3
101.41466	1.2
106.04137	2.2
107.08554	2.0
109.06496	1.4
111.08053	3.2
119.04910	2.0
121.06467	1.9
123.08089	2.2
134.07256	2.8
137.09589	1.5
149.09564	1.6
149.13242	3.7
151.51662	1.5
161.13188	2.5
167.10695	4.4
179.10643	2.3
187.14853	5.8
193.12279	8.5
203.14354	1.9
205.12340	10.8
205.15929	20.4
210.36594	1.4
213.76868	1.3
221.15416	21.5
222.15750	2.3
231.13881	40.2
232.14259	3.9
234.11252	1.4
249.14932	100.0
250.14592	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.08637	0.8
50.77457	0.8
55.89055	0.8
59.01245	2.0
67.65490	0.8
70.88042	1.8
70.88364	1.1
82.83138	0.9
83.04913	1.1
104.53664	0.8
128.07660	0.8
143.39021	0.7
164.70961	1.0
169.79564	0.8
205.19603	1.3
231.17561	0.8
247.16924	1.5
249.18581	100.0
250.14505	3.5
250.18910	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60765	0.3
56.09969	0.4
59.01249	1.5
70.02850	0.8
71.01252	7.7
71.36616	0.8
71.36944	0.4
72.00798	0.4
83.52837	0.4
88.03916	84.2
89.04255	1.5
91.05404	2.1
114.01856	5.2
115.00256	14.8
116.00603	0.5
132.02922	100.0
133.03259	2.6
134.06009	0.8
135.04408	4.6
196.13107	0.4
196.81540	0.4
206.08221	2.0
232.06128	0.7
250.07178	14.0
250.14415	2.7
251.07475	1.2
264.28418	0.4
267.30334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.7
67.01765	0.7
71.01241	0.7
71.57476	0.6
75.94988	0.3
79.95607	42.2
80.96378	1.8
83.04908	0.6
87.54970	0.4
89.82319	0.4
95.95107	46.8
96.95892	74.7
97.02855	0.6
97.06467	0.6
97.95833	0.4
109.02807	1.1
109.06493	0.5
122.03619	0.9
124.05198	1.8
137.06012	0.5
139.07545	4.0
163.00607	3.0
163.11172	0.4
164.01399	1.4
171.07895	0.5
177.02205	0.9
178.99940	0.3
185.09654	1.1
187.11215	2.5
189.09061	0.5
190.09915	0.4
196.00523	0.5
199.19319	0.4
205.12265	2.9
205.15906	0.5
208.33067	0.5
216.01559	0.4
231.06877	0.5
232.96837	0.4
249.08000	100.0
249.15018	1.6
250.08336	7.1
250.14308	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	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.1
71.80538	1.0
82.17718	1.1
89.91551	1.1
92.05426	1.1
95.04876	1.3
113.05853	1.1
127.07545	6.3
133.10077	1.7
146.60747	1.1
163.11122	1.1
167.06808	1.8
169.08484	1.3
179.10674	1.2
181.12262	30.3
182.12747	1.7
183.13817	2.2
185.05775	1.5
199.07332	1.4
201.08981	5.9
203.10475	11.2
205.08476	2.5
205.12067	2.7
211.05653	1.5
217.08376	3.1
219.10013	6.9
221.11568	10.0
223.13110	90.2
224.13490	6.5
229.60007	1.1
233.07918	8.3
235.09494	14.3
236.09714	1.2
237.11069	21.0
238.11188	1.5
241.14099	3.4
249.11058	72.0
249.15112	3.4
250.11398	6.4
250.14493	7.3
263.08914	1.4
265.10599	12.5
267.12134	100.0
268.12485	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	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02851	26.5
59.01243	2.5
70.02859	12.2
71.37817	2.6
72.00784	5.6
72.04424	4.7
73.72813	1.7
74.02345	100.0
75.00719	1.5
85.96353	1.4
88.90892	1.4
98.02356	24.0
116.03437	26.6
116.04945	38.5
117.05314	2.1
130.06537	5.4
142.06529	9.3
142.33780	1.5
159.09198	4.8
183.09113	1.6
186.05473	2.0
201.10332	5.0
203.08199	69.0
203.69301	1.5
204.08534	4.7
209.11780	4.8
245.09309	46.5
246.09557	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	246.098
Annotation	Valinopine
Peak:m/z	Relative Intensity
50.30310	1.1
59.01260	1.6
61.46870	1.4
66.03345	1.2
69.49086	8.1
71.01253	24.9
71.04906	1.3
71.85252	1.2
74.02348	100.0
75.00738	4.4
88.03915	72.8
89.04247	1.5
89.69486	1.0
91.49033	1.0
93.65794	1.1
96.99213	3.2
98.60193	1.0
110.02356	1.2
115.00259	44.0
116.00578	1.3
130.08629	74.0
130.50516	1.0
131.07034	66.2
131.08995	2.2
132.02910	5.6
132.07375	1.9
151.92882	1.2
184.09755	1.9
202.10785	66.2
203.11125	4.0
207.86815	1.1
228.08765	5.5
238.02412	1.1
246.09804	72.5
247.10144	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
91.64557	0.2
98.20555	0.6
184.00064	1.4
191.26657	0.2
205.15930	0.3
220.17096	1.7
231.13785	0.6
247.17004	100.0
248.07954	0.9
248.17343	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	248.0925
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
50.59072	0.9
52.01768	1.4
52.86159	0.9
57.03316	1.8
59.01245	9.3
68.99671	2.8
69.03342	2.2
70.34172	4.2
71.01253	15.5
72.04420	5.5
72.99187	3.1
73.02810	1.4
75.00748	9.4
82.02858	100.0
83.03201	2.4
85.02824	7.6
87.00756	3.4
87.65575	1.1
89.02312	3.2
91.03879	1.4
91.05424	2.4
95.01291	2.5
98.02357	8.6
99.00742	4.6
100.03925	51.3
113.02327	6.9
115.00253	1.1
117.01807	2.2
118.06444	1.0
144.04460	2.6
146.06198	1.1
146.62427	1.1
176.10747	1.2
190.05005	2.6
201.46309	1.1
202.06795	1.3
202.08670	17.0
203.08987	1.5
231.05086	1.8
248.09258	28.4
249.06175	22.4
249.08871	1.1
249.09677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.12072	0.6
55.01756	0.7
56.30313	0.5
57.03315	0.7
59.01242	1.3
69.44447	0.9
69.44847	4.3
71.04893	3.3
72.99165	0.9
83.04875	1.0
83.97673	0.5
84.14834	0.5
85.34315	0.4
86.59097	0.6
88.11623	0.5
97.02830	4.4
97.06480	1.8
99.00763	19.0
100.01099	0.7
109.06490	1.5
110.03617	1.8
121.06442	0.5
123.08009	1.0
125.09605	4.9
135.08087	1.1
136.05193	0.8
136.30032	0.5
142.02612	2.2
145.10114	0.6
155.14360	1.7
163.11189	7.3
171.10191	1.3
181.12276	19.1
182.12589	1.5
184.82538	0.6
197.11765	1.6
199.13332	17.1
200.13730	1.2
207.10211	40.2
208.10490	3.2
225.11282	76.4
226.11620	5.9
243.12357	100.0
244.12700	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.47563	0.9
57.03314	2.7
59.01252	17.3
71.01249	2.4
71.04887	4.6
73.02812	1.4
83.04911	2.0
88.72258	0.9
95.04909	1.0
97.02837	5.4
97.06460	1.1
99.00758	15.7
100.01516	0.9
109.06471	2.1
111.08065	1.0
115.48977	0.9
123.08052	1.6
125.09597	6.7
125.68921	0.8
127.11176	3.9
139.11195	8.9
142.02632	2.2
153.12785	1.6
155.14304	1.8
163.11194	8.3
181.12262	29.8
182.12593	2.0
183.10190	11.4
197.11714	3.1
199.13332	64.2
200.13657	3.2
207.10207	43.8
208.10492	4.6
211.05923	0.9
225.08981	2.2
225.11279	83.8
226.11659	6.1
243.12358	100.0
244.12668	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	243.0985
Annotation	Palythine
Peak:m/z	Relative Intensity
58.02544	1.9
58.02849	9.2
60.99186	5.9
61.39230	2.3
67.63829	2.3
71.45318	4.3
82.06478	3.2
96.00824	2.4
98.02374	10.0
98.06013	6.2
110.02387	7.2
110.06011	12.9
115.86826	2.3
124.63085	2.2
127.08665	58.8
128.09027	2.8
130.08655	2.5
139.08675	50.3
140.07132	3.9
141.09172	2.2
162.47527	2.2
169.09727	27.7
181.09727	36.4
195.07712	4.4
197.25948	2.4
205.17725	2.4
213.08748	100.0
214.09042	5.7
225.08823	5.5
243.09839	44.4
243.12198	4.6
244.10300	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.75807	0.5
57.03297	0.8
57.42265	0.6
57.60509	0.5
59.01238	1.2
60.98919	0.6
69.56744	4.6
71.04893	4.5
77.78725	0.6
83.04884	1.7
97.02334	0.7
97.02830	7.2
97.06448	3.0
98.19744	0.6
99.00764	26.0
106.84141	0.5
109.06471	2.1
110.03620	3.7
122.64542	0.6
123.04358	0.8
123.08073	1.4
125.09616	8.7
127.11143	1.2
135.08038	0.7
136.05194	1.7
142.02649	3.2
153.12761	1.8
155.14322	2.6
163.11192	12.1
164.11610	0.7
171.10320	0.7
179.10738	1.0
181.12274	30.4
182.12604	2.2
197.11760	2.0
199.13350	25.1
200.13730	1.8
207.10214	59.0
208.10551	4.1
225.11290	100.0
226.11661	7.0
243.12367	80.7
243.14955	1.0
244.12697	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	243.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03367	13.7
71.55926	6.2
71.56338	8.7
80.96387	11.5
82.02853	31.2
87.00743	25.1
88.03912	16.7
96.00805	11.7
101.34492	5.7
110.02370	100.0
110.05982	12.9
111.66234	5.8
122.02385	8.8
122.97437	5.7
127.08697	14.4
128.07086	8.2
130.08621	7.8
138.48683	6.0
139.08713	20.1
140.03433	11.1
152.03404	18.3
153.02986	12.7
153.05435	6.9
181.09616	10.0
200.05602	40.1
213.08711	17.2
215.54372	6.9
243.01590	7.4
243.06401	12.3
243.09933	13.4
244.06084	6.5
244.08276	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01248	0.9
66.03020	1.1
66.03361	11.8
68.01286	1.9
70.02852	0.6
71.01266	2.6
71.56696	1.1
82.02859	23.5
83.01247	1.4
84.04426	1.0
84.90881	0.6
94.02843	2.9
96.00774	0.7
96.04432	2.0
108.04436	2.1
110.02367	100.0
111.01903	5.3
111.02710	2.8
114.01833	0.6
117.01822	1.6
122.02383	7.9
124.03927	3.3
126.05554	0.8
126.52930	0.6
129.10284	1.2
131.04565	0.8
132.03038	0.7
138.05548	0.6
140.03438	11.0
152.03453	15.5
153.02946	7.5
153.04019	0.9
200.05589	30.5
201.05913	1.4
222.54814	0.6
226.11990	1.0
243.06232	16.7
244.06409	0.7
244.13162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0984
Annotation	Palythine
Peak:m/z	Relative Intensity
58.02855	13.4
59.01246	1.5
60.99185	7.0
66.03362	7.3
68.01280	2.0
70.02856	2.4
70.16695	1.0
71.01273	3.0
72.00774	1.0
72.04375	1.4
73.03978	1.5
75.91728	0.9
76.40811	1.0
82.02853	12.4
82.06503	2.7
83.01244	1.2
84.04424	2.9
87.00758	20.6
88.03956	2.0
93.03335	2.3
94.02849	2.1
96.00792	1.7
96.04435	3.0
98.02355	12.4
98.05984	10.9
98.19742	2.1
107.77128	1.0
108.04449	1.3
110.02363	42.6
110.06009	11.7
111.00817	0.9
111.01929	2.4
111.02679	1.6
111.04378	1.9
112.98623	1.3
114.01814	2.2
115.00275	1.9
115.05017	1.8
116.07095	1.2
122.02368	3.9
122.05997	2.5
124.03958	1.6
125.07104	3.2
127.08669	77.5
128.07112	1.4
128.08995	2.7
131.04524	1.1
132.02933	1.9
139.08672	66.9
140.03410	4.8
140.07086	5.3
140.09012	2.7
141.10239	1.6
142.99812	1.5
145.01366	1.8
152.03430	6.2
153.02959	3.0
153.13797	1.2
157.09753	1.7
158.33714	1.1
167.08253	1.8
169.09750	34.9
171.07733	2.2
181.09752	36.4
182.10172	1.6
195.07625	3.0
199.10805	1.9
200.05568	10.9
201.08752	11.2
213.08754	100.0
214.09027	7.0
215.96236	1.2
225.08769	4.9
226.11934	1.1
243.01979	1.6
243.06297	5.6
243.09843	46.0
244.10222	2.3
244.12796	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	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
56.54316	0.8
56.65322	0.7
57.03314	5.9
57.19490	0.7
59.01254	100.0
60.01588	1.2
71.04900	2.0
71.58825	1.6
83.04890	1.9
97.06486	2.1
99.04420	7.4
119.08582	4.2
121.06483	0.9
123.00931	0.9
123.08072	1.2
135.08080	1.7
135.11702	1.4
137.09637	8.3
151.11307	1.2
153.12816	1.4
163.07594	1.5
169.12202	1.3
179.10753	6.6
181.07085	1.9
181.08627	20.7
182.09021	1.2
197.11781	42.7
198.12044	2.3
205.78917	0.8
213.14899	4.6
223.09668	1.9
223.13332	1.9
241.08463	0.9
241.10764	17.1
241.14455	9.9
241.18008	1.8
241.21739	4.0
242.11310	1.4
245.73235	0.9
249.53694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.16033	0.5
57.03313	1.2
59.01239	0.8
69.03326	3.1
70.55714	1.1
71.01257	0.7
71.04880	4.2
83.04883	0.5
123.08020	1.2
125.09608	1.8
147.83577	0.5
151.11185	1.7
153.12773	3.8
161.09595	1.6
179.10701	7.4
197.05969	1.8
197.11769	100.0
198.12100	8.5
205.08603	0.6
206.89046	0.5
223.09680	2.6
223.13281	0.5
241.10786	59.1
241.14633	2.0
241.21695	1.7
242.11113	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	241.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26743	0.7
57.03321	2.0
59.01251	1.7
62.79016	0.7
70.09586	2.9
71.04900	0.8
81.03329	1.2
83.04893	4.5
93.03354	0.8
95.04918	2.4
97.06468	12.4
102.98317	0.7
109.06463	1.8
111.08037	10.1
129.05551	1.2
137.09613	1.3
147.11667	1.6
163.11203	3.2
165.12767	100.0
166.13089	8.2
184.00146	3.5
184.50266	1.0
197.15399	13.1
198.15736	1.8
209.11784	7.0
223.16902	1.1
224.45528	0.9
225.02431	0.8
225.15030	0.7
227.12846	1.5
241.07208	2.2
241.14348	4.7
241.18011	7.9
241.21599	3.7
241.57367	1.1
242.17714	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	242.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.1
67.58990	0.4
69.02624	0.4
70.02856	1.2
71.01258	8.3
71.58033	0.5
72.99180	0.5
88.03918	100.0
88.96533	0.4
89.04258	1.8
96.99186	1.6
109.02803	0.7
109.06435	0.5
114.01842	6.5
115.00262	15.4
117.81853	0.4
126.09145	1.8
127.07557	7.7
128.07910	0.8
132.02928	60.6
133.03284	1.4
183.10245	2.2
198.11279	3.7
201.11249	2.4
224.09311	1.1
225.11247	1.7
242.10318	19.2
243.10597	1.3
243.16072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0867
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
59.01233	0.3
65.03836	5.0
67.01768	0.8
70.33891	0.2
70.34229	1.1
80.02528	0.4
86.46646	0.3
91.01771	8.9
92.02120	0.3
107.01292	0.3
108.02049	3.1
109.02840	21.8
110.03164	0.7
121.02850	0.6
122.03629	20.0
123.03967	0.8
135.00775	6.7
136.01544	0.8
144.30363	0.2
149.02357	1.6
150.03133	21.9
151.03448	1.4
152.33366	0.2
153.01842	6.3
154.02132	0.3
155.08588	0.9
157.81119	0.2
179.08693	0.3
181.12355	0.2
184.00122	1.8
186.33374	0.3
195.08122	0.4
197.09692	3.1
197.11496	0.4
198.09969	0.4
199.07518	0.6
223.07596	1.1
241.08682	100.0
241.21602	1.6
241.57275	0.4
242.09012	10.9
242.11484	0.6
242.17856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0868
Annotation	Tupichinol C
Peak:m/z	Relative Intensity
58.32377	0.6
59.01252	2.9
62.90553	0.6
64.10101	0.8
67.01785	0.8
69.42883	0.7
69.60332	4.6
71.01228	0.7
79.05410	2.3
81.03345	2.5
83.04915	2.8
88.03900	1.3
91.05426	2.3
92.93497	0.7
93.03332	0.8
93.81010	0.8
95.04905	1.8
97.06474	0.9
108.02072	1.0
108.59945	0.7
109.02782	1.6
117.03344	1.1
119.04943	1.3
121.02848	22.4
122.03646	15.5
122.40496	0.7
123.04439	10.9
123.08072	0.8
124.04866	0.7
135.04381	1.2
148.01566	3.3
149.02353	100.0
149.75784	0.7
150.03149	22.6
151.03468	0.8
179.10713	2.7
190.93845	0.7
197.09999	1.0
197.11673	3.3
213.09137	3.5
213.14932	2.6
223.07634	2.3
223.13431	0.7
227.43092	0.7
241.08678	50.0
241.10709	3.6
241.14272	7.0
241.18059	1.4
241.21713	1.8
242.08926	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	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21414	0.7
59.01245	10.3
59.10730	1.0
64.04935	0.8
84.35289	0.7
97.06502	1.8
110.58692	0.8
151.11182	1.5
153.12723	1.9
161.09616	0.9
179.10686	9.8
195.10139	4.6
197.11769	100.0
198.12065	7.2
199.09732	2.1
208.14433	0.8
211.28667	0.9
241.10796	18.3
241.21660	1.2
242.11099	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	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03315	4.9
59.01252	100.0
60.01581	1.7
61.27032	0.6
65.01320	0.7
71.04905	0.9
83.04910	1.5
87.00747	1.1
93.36513	0.7
97.06481	1.6
99.04394	5.5
101.64068	0.7
119.08555	4.1
135.08096	1.1
135.11703	0.8
137.09648	8.0
153.12738	0.9
161.09659	1.0
163.07614	2.4
169.12283	5.7
179.10753	4.2
181.08627	19.8
182.09033	1.0
190.84682	0.7
197.11763	27.9
197.62773	0.7
198.12088	2.0
213.14923	1.0
223.09901	1.0
230.76965	0.9
241.10817	11.2
241.14429	3.7
241.21790	1.4
242.11118	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	239.1286
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.39125	0.8
54.17322	0.8
54.31725	0.9
57.03326	63.3
58.03669	1.2
59.01253	8.0
69.03329	3.9
70.47080	1.0
71.01225	0.9
71.58337	1.5
82.14324	0.9
83.04903	2.3
85.06456	1.9
85.95442	0.9
89.51388	0.8
93.30906	0.9
94.73536	0.8
96.95869	4.2
107.04915	2.4
109.06470	15.0
111.08020	1.5
120.05660	1.4
121.06466	1.8
122.03582	0.9
123.08053	59.9
124.08401	2.4
125.09619	9.1
135.08055	17.4
137.05948	0.9
137.09636	1.8
149.09663	1.2
151.10025	1.4
151.11198	11.4
177.12740	3.3
179.05515	1.9
179.10736	3.0
195.13857	100.0
196.14209	9.2
221.11697	1.3
223.02771	4.4
239.09352	3.3
239.12854	26.2
240.13211	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.25663	1.4
57.03326	52.8
59.01247	13.5
64.05006	1.4
69.03312	4.4
69.37469	13.0
69.37879	2.5
71.04913	1.6
83.04914	2.4
85.06454	1.8
91.02075	1.8
97.06454	2.0
98.02359	2.5
107.04924	2.8
109.06465	10.7
121.06524	1.8
123.04407	2.5
123.08054	57.1
124.08387	4.3
125.09608	6.3
135.08066	16.3
137.05954	1.7
149.05830	1.4
151.11182	8.9
161.09528	1.6
177.12766	3.0
179.05545	3.2
179.10689	2.8
195.10170	3.7
195.13840	100.0
196.14171	10.8
208.11542	1.3
223.02711	8.8
239.09258	3.3
239.12880	22.2
240.13084	3.3
242.86601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.90509	0.4
59.01254	2.6
69.02244	0.3
83.04928	0.5
93.03312	0.5
106.04156	0.5
107.04894	0.5
149.93207	0.3
163.84283	0.4
177.12776	2.9
195.13844	100.0
196.14180	7.8
221.11766	0.8
223.02831	0.7
238.31236	0.4
239.03543	0.8
239.12851	6.7
240.13203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1074
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
57.03331	0.5
58.17998	0.3
59.01249	3.1
70.90791	0.8
86.77711	0.3
87.65923	0.3
88.07388	0.3
95.04921	0.8
123.04425	4.5
124.41206	0.3
133.02855	100.0
134.03172	4.9
135.58170	0.2
154.06244	0.3
179.05482	1.8
195.13840	1.2
209.06013	1.0
210.15118	0.3
223.02765	1.6
223.07620	2.5
224.08379	2.9
239.10748	43.1
240.11087	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	239.0923
Annotation	2-carboxymethyl-3-hexylmaleic acid anhydride
Peak:m/z	Relative Intensity
50.04295	0.3
51.22265	0.3
52.92038	0.3
56.21019	0.3
57.03326	22.8
58.03673	0.5
59.01252	100.0
60.01584	1.5
62.43348	0.3
65.18615	0.3
69.03331	1.2
69.96963	0.3
72.41073	0.3
81.03339	2.2
83.04903	1.8
85.02836	1.2
85.06479	0.6
95.04903	2.7
97.06464	3.5
99.77201	0.3
107.04903	1.8
109.06473	8.1
111.08090	0.4
120.05684	0.7
121.06499	0.6
123.08053	21.6
123.52397	0.3
124.08402	1.2
125.09592	3.9
132.02919	0.4
133.10135	1.0
135.08054	8.8
136.08366	0.7
140.08028	0.3
141.05482	9.2
142.05792	0.9
151.11198	6.5
152.11574	0.8
177.09113	3.3
177.12811	1.1
179.07127	0.9
179.10716	0.8
184.99167	0.3
195.10207	24.5
195.13837	34.1
196.10532	2.0
196.14143	3.2
221.08174	0.9
239.09258	11.9
239.12912	6.4
240.09511	1.0
240.13382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
54.14106	1.9
57.03326	8.2
59.01255	93.8
69.03334	30.8
69.46095	15.6
69.46504	2.8
71.01260	7.7
71.63019	2.0
83.04871	2.1
85.02849	1.9
86.14126	1.9
92.50374	1.9
93.07010	2.2
94.13322	1.8
97.06471	71.2
98.19804	4.5
101.02322	5.6
118.02777	2.4
121.02781	2.3
121.06503	2.3
121.10143	12.7
123.00777	3.6
123.08056	83.1
124.08386	5.8
139.07539	12.2
147.11725	19.9
167.07021	11.5
175.14888	14.3
179.10693	7.2
193.15935	4.7
209.15471	2.4
219.13872	9.7
237.07559	2.3
237.14935	100.0
238.15210	10.8
248.87711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01241	2.0
59.75493	0.2
59.96595	0.7
69.27220	0.8
69.27626	2.2
69.63491	0.2
74.98514	0.5
74.98947	9.6
75.96069	0.4
75.98884	0.3
80.39679	0.2
85.67228	0.2
89.75845	0.3
89.87978	0.2
91.02087	10.8
93.00012	9.1
123.08043	0.2
129.41780	0.2
149.00870	6.7
150.00903	0.5
179.05487	1.1
195.13843	1.1
206.99666	3.6
207.99757	0.5
223.02795	100.0
224.02829	13.2
225.00749	0.4
225.05644	0.3
225.13031	0.3
239.05789	0.3
239.12820	0.6
241.03891	2.9
242.03784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.071
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
59.01249	1.2
65.00184	0.7
65.03827	1.3
67.01754	0.5
83.63563	0.3
85.58624	0.3
91.01767	32.4
92.02088	1.3
95.01279	0.3
100.32799	0.3
104.02569	0.4
108.02058	2.3
109.02841	5.6
110.03167	0.3
123.00763	0.3
126.97388	0.3
135.00778	19.3
136.01123	1.2
139.03873	0.5
141.06972	0.4
148.01573	5.9
149.01987	0.3
152.06221	0.3
153.01840	14.3
154.02191	0.5
154.06281	0.5
165.06940	0.3
167.08493	1.7
169.06529	1.5
178.58055	0.3
179.05507	0.8
180.00595	1.7
193.06558	1.1
195.08118	3.8
195.13863	1.9
196.08377	0.3
197.06018	15.5
198.06381	1.1
211.07584	0.6
223.02809	0.7
239.07094	100.0
239.16510	1.0
240.05023	0.5
240.07440	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	239.0713
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
56.34156	0.3
59.01245	1.1
63.04565	0.3
65.00205	0.5
67.01775	0.5
70.07156	1.4
85.21755	0.3
85.78036	0.3
91.01775	29.3
92.02094	0.7
95.01280	0.5
96.01749	0.4
107.44622	0.3
108.02069	0.7
108.90388	0.3
109.02825	2.6
135.00787	17.8
136.01137	0.9
141.07027	0.6
148.01561	3.0
151.81036	0.3
153.01871	10.8
153.03091	0.7
154.02229	0.5
167.08589	0.6
169.06606	2.4
179.05518	0.6
180.00604	0.9
193.06509	0.6
195.08038	1.4
195.13834	3.2
197.06030	42.6
198.06398	3.2
223.02847	0.8
239.07112	100.0
240.07455	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	239.0923
Annotation	2-carboxymethyl-3-hexylmaleic acid anhydride
Peak:m/z	Relative Intensity
57.03327	19.4
59.01254	100.0
60.01599	1.6
69.03337	0.9
69.49836	2.0
69.50271	2.4
77.31507	0.5
78.86977	0.5
81.03332	2.8
83.04922	1.4
85.02847	1.6
85.06503	0.6
85.12305	0.5
85.68780	0.6
89.29917	0.5
95.04912	2.1
97.06480	2.9
107.04927	2.0
109.06477	6.7
111.20149	0.5
123.08054	18.3
123.08924	1.0
124.08404	0.8
125.09663	2.8
133.06502	1.2
133.10172	0.9
135.08057	8.8
141.05478	9.0
151.11180	6.4
153.16399	0.5
177.09181	2.2
177.12840	1.3
179.07091	0.7
179.10651	1.0
195.10216	25.8
195.13849	33.8
196.10588	1.7
196.14253	3.3
196.15723	0.6
239.09225	13.0
239.12837	6.4
240.09653	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	237.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01261	1.5
62.71010	0.5
69.84796	3.3
71.01256	22.3
85.02824	0.9
96.95907	0.7
101.02347	0.6
115.00263	8.9
121.02847	100.0
122.03175	5.1
123.08067	0.9
133.61079	0.6
137.60886	0.5
215.42781	0.6
221.78505	0.6
224.41737	0.5
229.13913	0.5
237.11388	1.3
237.14900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75529	3.1
55.01779	8.0
57.03330	8.9
58.00455	3.4
59.01259	58.0
70.25251	14.7
71.01256	100.0
71.14964	3.1
72.99185	7.3
73.02823	36.5
73.03941	4.0
75.00742	4.1
83.01260	18.0
85.02826	58.5
87.00756	9.3
89.02326	15.2
94.07145	3.5
95.01274	8.9
99.00777	12.1
101.02328	85.9
103.66763	4.1
113.02328	36.1
119.64013	3.4
122.05998	3.2
129.01810	3.4
137.42050	3.1
143.03403	5.4
159.02910	7.7
159.36115	3.4
161.04466	27.1
237.06186	3.3
237.09752	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	237.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	76.6
58.03660	2.1
64.22884	0.5
69.92506	0.4
93.06969	0.6
95.19538	0.5
96.95906	0.6
98.20636	1.2
107.04901	6.6
109.06476	1.1
119.49614	0.4
121.06493	1.5
121.85616	0.6
123.08047	100.0
124.08382	4.4
129.80008	0.5
135.08060	12.7
136.08427	0.8
151.11147	0.5
157.26175	0.5
171.92868	0.5
191.10713	0.5
193.12263	7.7
194.12613	0.5
219.10275	1.0
223.32236	0.5
237.11253	5.1
238.11868	0.5
239.81709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
57.03325	62.4
58.03658	2.0
59.01262	3.8
61.12326	0.7
71.01267	0.8
71.57470	1.3
83.04891	1.3
85.02807	0.9
89.05950	5.4
93.03344	0.6
96.95927	1.2
101.02365	0.7
107.04925	7.1
109.06498	1.7
121.02857	6.1
121.06487	4.4
123.08052	100.0
124.08411	5.6
135.08054	11.8
137.09621	2.8
149.06039	1.5
161.06065	0.9
167.07048	11.5
175.11116	0.7
177.09152	8.5
178.09622	1.2
193.12254	6.0
219.10214	12.7
220.10585	1.0
237.07678	1.7
237.11284	29.2
237.14929	1.6
238.11565	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	237.1493
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
57.03313	2.8
59.01249	9.2
69.03320	2.1
69.53973	4.2
69.54397	1.2
71.01270	1.3
71.04893	29.6
72.05242	1.0
72.90166	0.7
83.04895	0.7
85.02816	0.8
97.06467	13.1
98.06780	0.9
101.02328	1.6
109.06477	0.7
111.08012	1.6
113.02296	1.0
114.39944	0.6
115.70503	0.6
118.02837	0.8
121.10124	1.2
123.08052	2.7
127.07524	0.9
135.08052	1.1
139.07584	1.0
153.09122	4.4
165.09152	3.2
175.14743	1.6
177.12779	1.4
179.10664	1.1
191.14337	2.3
193.15926	9.7
194.16238	0.8
209.15408	38.9
210.15721	2.9
219.13849	21.7
219.15504	0.5
220.14169	2.3
237.14931	100.0
238.15208	8.5
245.18945	0.9
249.13016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03327	24.3
59.01253	8.2
65.83824	0.5
66.22128	0.4
71.01263	1.4
71.58527	0.9
82.48750	0.4
83.04896	3.6
85.02834	0.8
85.06436	0.6
90.92194	0.4
92.33780	0.4
95.01299	0.4
97.06502	0.6
99.08006	0.4
101.02316	1.2
105.67809	0.4
107.33241	0.4
109.06473	1.8
118.02866	0.5
123.08061	2.3
125.71001	0.4
135.07990	0.4
138.06720	0.4
139.11249	0.5
141.09142	0.5
149.09618	0.9
161.04449	0.5
165.50031	0.4
167.10715	3.7
168.11075	0.5
168.35884	0.4
177.12767	1.0
179.10725	3.6
193.15845	3.4
195.13846	5.5
209.15346	0.5
219.13930	1.3
237.14928	100.0
238.15259	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03325	1.8
59.01234	0.4
63.10147	0.2
63.93856	0.3
65.01317	0.4
66.40055	0.3
71.04881	0.8
71.58955	0.4
76.09968	0.3
81.41148	0.3
83.04907	0.5
84.02009	0.4
85.02834	0.9
97.06458	0.7
119.69800	0.3
123.08002	0.4
125.06020	0.3
125.09616	3.4
127.11189	5.2
129.44283	0.3
155.14316	2.5
160.05122	0.4
165.12759	1.1
167.10625	0.4
167.14326	2.0
171.10178	5.3
172.10429	0.3
183.13873	1.5
185.11740	2.0
185.15402	0.5
187.06120	0.3
201.14986	0.4
209.11780	3.4
211.13350	12.8
212.13637	1.1
229.14413	100.0
230.14738	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16987	0.4
51.23415	0.4
51.57491	0.3
57.03316	1.8
59.01258	1.9
69.46834	2.7
69.47252	1.0
71.01255	0.7
71.04893	1.3
73.51618	0.4
83.04912	0.5
84.02058	0.8
85.02824	1.1
97.06491	1.9
98.19825	0.9
99.09547	0.4
125.05973	3.9
125.09620	4.8
126.10000	0.5
127.11181	5.4
155.14333	3.0
160.05049	0.4
165.12808	0.9
167.14323	2.5
183.13815	1.2
185.05939	0.5
187.06432	0.5
187.08089	0.5
209.11748	2.2
211.13345	4.9
212.13666	0.6
229.14412	100.0
230.14758	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	231.2115
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
50.16369	3.3
59.01236	4.2
64.66217	3.2
67.63086	3.4
79.99319	3.0
98.20562	7.8
98.83153	3.5
141.34831	3.4
146.55392	3.4
172.95679	3.2
192.33615	3.5
208.38968	3.4
231.03021	6.6
231.17494	11.5
231.21138	100.0
232.21481	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18130	0.2
59.01252	2.3
59.96606	0.4
60.97394	0.9
66.84531	0.3
74.98942	6.3
74.99345	0.4
75.96092	0.3
91.02118	1.2
93.00017	5.7
93.03350	0.8
93.96107	0.2
98.19703	0.4
118.96163	0.7
134.99303	8.8
135.99300	0.5
136.12177	0.3
136.97227	3.7
137.57172	0.3
137.97179	0.4
141.07396	0.3
142.07764	0.2
149.00874	72.7
150.00839	4.8
150.98778	1.4
152.64085	0.2
152.96756	0.6
157.78885	0.2
159.08383	1.5
161.06313	4.8
192.99998	0.3
201.03969	0.7
213.36601	0.2
215.05620	1.4
217.07169	100.0
218.07309	11.5
229.87617	0.3
229.89738	0.3
233.10312	83.5
233.15347	14.2
234.10474	10.2
234.15677	1.6
235.08266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.17
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
51.46436	0.4
54.04189	0.3
55.01754	0.4
56.33504	0.4
57.03313	0.6
59.01252	10.7
59.08141	0.4
65.33456	0.4
71.01263	1.1
71.57406	0.4
83.04897	0.8
85.02824	0.6
89.46677	0.4
97.06501	0.4
101.02306	0.5
152.33887	0.4
161.13438	0.4
163.14819	0.7
169.56288	0.4
177.09138	1.0
191.17967	2.9
206.99536	0.4
217.15942	2.1
233.15411	1.4
235.17014	100.0
236.10478	1.1
236.17365	11.8
252.67302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.70967	0.4
70.59113	0.4
70.59466	1.2
71.01269	0.4
89.64762	0.3
92.35886	0.3
98.19835	0.5
111.62189	0.3
114.23212	0.4
134.03642	1.2
135.04404	0.6
136.05174	1.1
148.05206	13.3
149.05782	0.5
149.09616	1.8
162.06775	1.1
176.08365	0.9
177.09132	53.0
178.09460	3.7
188.91356	0.4
190.09938	2.2
191.10661	1.3
192.11485	39.4
193.11876	4.0
203.07248	0.9
204.38832	0.4
209.15242	0.5
217.08678	4.1
218.09435	10.9
219.09889	0.6
219.13966	0.4
236.10501	100.0
237.10878	9.2
237.14900	1.0
246.22888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.35373	0.1
56.67348	0.1
57.03319	0.5
59.01249	0.2
62.40495	0.1
63.46792	0.1
66.90528	0.1
69.03320	0.3
70.42518	0.1
70.64426	0.3
71.04893	0.2
80.02546	0.1
83.04912	0.2
84.01976	0.1
95.04922	0.1
97.06490	0.3
108.41953	0.1
109.06475	0.1
111.08050	1.2
153.01836	0.1
153.09128	0.1
163.11180	0.3
165.12772	18.2
166.13109	1.5
181.12263	0.3
183.13840	100.0
184.14185	8.9
191.10712	0.3
199.13361	0.2
201.14960	0.1
209.11801	2.5
210.12152	0.3
227.12852	12.2
227.20108	0.7
228.13199	1.1
231.45876	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	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71160	0.2
57.03309	0.6
59.01239	0.2
68.95750	0.2
69.03336	0.4
79.28017	0.2
83.04919	0.4
90.09278	0.2
111.00696	0.2
111.08048	1.1
127.85580	0.2
163.11160	0.3
165.12767	18.5
166.13077	1.5
168.15712	0.3
183.13829	100.0
184.14171	8.9
199.13289	0.5
209.11765	3.5
210.12044	0.4
227.12842	14.1
227.20114	1.2
228.13126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51509	0.5
71.34727	1.1
73.43544	0.5
82.38614	0.5
88.26121	0.5
95.50108	0.6
98.19843	0.5
111.08073	1.2
149.49466	0.5
165.12769	19.5
166.13132	1.4
183.13835	100.0
184.14166	9.2
209.11821	0.8
227.12848	13.5
228.13156	1.2
239.33913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71160	0.2
57.03309	0.6
59.01239	0.2
68.95750	0.2
69.03336	0.4
79.28017	0.2
83.04919	0.4
90.09278	0.2
111.00696	0.2
111.08048	1.1
127.85580	0.2
163.11160	0.3
165.12767	18.5
166.13077	1.5
168.15712	0.3
183.13829	100.0
184.14171	8.9
199.13289	0.5
209.11765	3.5
210.12044	0.4
227.12842	14.1
227.20114	1.2
228.13126	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	228.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
60.08224	1.0
69.96160	3.9
70.02834	0.8
71.01256	6.2
71.16496	0.9
72.00755	1.0
73.70123	0.9
88.03917	100.0
88.73309	0.9
89.04242	1.1
89.36411	1.1
96.99214	1.2
98.20561	1.0
112.07556	2.2
113.05968	7.6
114.01861	7.3
115.00275	14.0
127.56786	0.9
132.02927	89.2
133.03233	2.3
134.03496	0.9
159.03090	0.9
166.08679	1.3
184.09680	1.7
228.08728	11.5
229.14529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40779	0.5
58.00463	0.6
69.35436	5.5
70.83050	0.5
71.00878	1.1
71.01252	8.6
71.87981	0.5
73.02831	0.8
78.25306	0.7
81.03394	0.7
84.02040	6.1
89.89420	0.6
95.04906	2.5
97.02850	1.0
97.06470	38.0
98.06815	1.5
107.04897	4.4
110.03607	1.7
123.04431	0.9
125.05980	100.0
126.06310	6.0
186.20267	0.5
203.06140	0.6
211.13368	1.0
229.10904	1.3
229.14427	1.8
230.10718	0.6
230.15506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.10070	0.4
57.03313	1.3
58.86530	0.5
59.01247	0.6
65.01319	0.6
66.17291	0.5
71.01283	0.5
83.04903	0.8
84.02071	0.5
85.02829	0.5
96.12226	0.5
98.20551	1.9
100.63100	0.5
125.09654	2.3
127.11201	4.2
142.54121	0.5
165.12836	0.7
166.35371	0.5
167.14337	2.6
171.10184	4.0
183.13901	2.7
185.07146	1.2
185.11824	0.6
190.28555	0.5
193.12268	1.2
209.11766	3.7
211.13365	14.3
212.13716	1.4
229.14423	100.0
230.14766	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	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.49038	0.6
57.03313	0.6
59.01254	100.0
60.01583	1.5
71.13300	1.4
81.03349	0.8
83.04905	0.6
96.95909	1.1
97.06454	3.2
109.06481	0.8
135.08095	0.8
147.08089	3.1
165.01994	0.8
165.09189	1.3
181.12303	0.9
195.03053	0.7
207.10289	0.8
225.07948	1.1
225.11273	17.5
226.11769	1.7
229.19771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01256	100.0
60.01578	1.2
61.97675	0.6
65.99693	0.7
66.52086	0.6
69.58814	5.0
76.48229	0.6
81.03343	1.1
93.03338	0.9
96.95904	11.9
97.06485	3.8
135.08051	2.4
137.02295	1.7
147.08089	3.3
156.05589	0.6
163.07571	0.8
163.11195	0.7
165.01877	3.0
165.09152	1.7
166.09384	0.6
170.44151	0.6
172.05013	0.9
180.04224	2.2
181.12297	1.9
181.43372	0.6
195.06558	2.3
207.10211	1.2
210.05284	1.3
224.78751	0.7
225.02419	1.0
225.07985	6.6
225.11287	23.0
226.11610	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	227.0922
Annotation	Loganetin
Peak:m/z	Relative Intensity
57.03327	5.0
70.68475	1.8
70.69276	1.8
71.04455	4.4
71.04826	3.0
80.02528	2.1
83.01263	2.8
84.02024	2.9
84.92516	1.8
85.02814	13.7
95.04909	5.2
95.44695	1.8
97.06479	23.5
98.03589	4.2
103.09645	2.1
107.04903	7.1
111.00751	7.0
111.08031	9.3
121.06480	4.6
123.04418	21.7
125.05935	5.2
129.01836	21.3
134.03612	2.1
135.08051	3.1
137.05974	2.7
139.07550	88.9
140.07916	3.2
149.05988	29.1
153.09119	4.1
163.07599	2.1
165.12704	2.6
167.07059	100.0
168.07341	7.5
181.08600	3.8
183.13797	13.2
209.08170	9.4
227.09204	18.9
227.12798	3.4
227.16493	5.9
227.20174	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.07957	0.2
57.03329	0.7
59.01272	0.3
61.68114	0.2
64.02163	0.2
71.01285	0.2
71.58707	0.3
79.81335	0.2
83.04905	0.4
106.95977	0.2
107.41946	0.2
111.08060	1.0
139.09047	0.2
140.99310	0.2
163.11234	0.3
165.12769	18.5
166.13144	1.7
183.13835	100.0
184.14172	8.5
191.10696	0.3
199.13312	0.4
209.11807	3.5
210.12236	0.2
216.13916	0.2
227.12843	13.6
227.16454	0.5
227.20154	1.2
228.13185	1.3
229.98296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.83396	0.3
57.03318	0.7
59.01250	0.9
64.71555	0.3
65.01332	0.4
69.03338	0.7
70.02854	0.3
70.91989	0.3
71.01269	0.3
71.04892	0.3
71.58626	0.7
74.02342	5.2
77.77716	0.3
81.03317	0.5
83.04892	0.7
84.02032	0.4
85.02842	0.3
95.04910	1.6
96.99177	0.9
106.04002	0.6
109.06493	0.4
113.02277	0.4
125.09612	0.6
130.08646	4.9
139.11186	2.6
151.11226	2.4
151.62106	0.3
153.12769	6.1
154.13092	0.4
155.14366	1.0
163.11134	1.7
165.09058	0.4
165.12769	4.7
166.13057	0.4
174.06676	0.4
181.12277	3.3
183.13835	3.1
184.09686	0.4
191.10710	0.7
199.13373	7.1
200.13620	0.6
209.11774	9.4
210.12126	1.2
225.11424	0.3
227.12851	100.0
227.20078	1.7
228.09076	0.3
228.13194	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01242	0.2
59.58969	0.3
71.04892	0.6
80.02542	2.3
81.03340	1.6
83.01275	0.5
83.04900	7.5
83.05341	0.3
84.02042	3.3
84.05219	0.4
90.32764	0.3
93.03333	0.4
94.31441	0.3
95.04893	1.0
98.20590	0.5
109.06490	0.6
111.08075	0.4
111.23689	0.3
125.05981	0.9
125.09566	0.5
127.11167	0.4
135.08057	1.4
163.11200	5.1
164.11543	0.6
165.12764	5.1
166.13089	0.4
179.65994	0.3
181.12239	1.3
183.13823	1.2
191.10689	1.6
199.13303	0.8
209.11774	100.0
210.12096	9.2
227.12883	3.2
227.16350	0.4
227.20139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0765
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
57.03340	2.4
59.01255	10.1
62.58126	1.4
65.00179	2.2
65.03821	4.9
66.52206	1.5
66.87519	1.4
67.01767	6.4
68.99693	22.4
69.03329	4.4
71.01255	12.4
71.04876	2.3
71.14529	2.3
72.99195	4.1
73.02808	2.6
75.00757	6.4
78.81986	1.6
79.05402	5.8
79.85484	1.5
80.02570	2.7
81.03330	3.9
83.04915	3.3
84.02090	1.9
91.05436	4.5
93.03345	13.3
93.06979	6.9
95.01292	3.1
95.04885	9.8
95.34712	1.4
97.02830	4.5
97.06476	4.7
99.00724	3.6
99.04362	2.5
103.05437	8.0
105.06982	28.4
106.04121	10.7
107.04916	18.0
108.02042	12.1
109.02849	5.7
109.06499	15.6
111.08054	5.6
113.03827	1.6
119.04928	16.1
120.05711	59.7
121.02845	20.7
121.06501	100.0
122.06837	6.1
123.00809	2.2
123.04406	3.9
123.08058	36.8
124.08402	3.1
125.05981	2.9
125.09653	1.4
131.04929	13.1
133.06514	9.3
134.03622	11.9
135.04460	7.8
135.08061	46.5
136.01558	3.3
136.05176	5.4
136.08383	5.9
137.02354	14.8
137.05983	21.7
138.06731	4.8
139.07584	5.4
147.04463	7.3
148.05205	4.5
149.02417	2.5
149.05997	88.4
150.06371	3.6
151.03874	3.6
151.07550	12.4
152.04683	1.7
153.05502	2.9
153.09126	5.8
163.03935	2.4
163.07532	7.0
163.11235	4.9
164.04697	2.4
165.01852	4.8
165.05472	17.0
166.06279	63.8
167.06857	6.1
175.03926	7.0
177.05411	1.8
179.07042	9.0
180.04239	4.3
181.05089	2.8
181.08627	89.6
181.12120	4.1
182.09013	8.9
193.04990	17.2
195.02942	4.6
195.06601	3.6
197.08217	2.2
199.06154	2.0
199.09680	2.4
207.04924	1.7
207.06630	5.3
207.10190	9.7
210.05324	20.6
225.07668	84.0
225.11150	21.9
225.14806	2.0
226.07909	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	225.1129
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01246	2.6
69.27614	5.0
71.04893	0.8
81.03343	0.8
84.02047	0.5
97.02250	0.9
97.02836	13.9
97.03479	0.8
97.06498	0.8
98.03163	0.6
99.00769	4.5
99.57091	0.5
104.31239	0.5
106.04166	0.7
109.06482	4.4
110.03618	5.5
111.04411	0.5
123.04411	1.2
125.09607	1.8
135.08040	2.0
136.05212	3.6
142.02632	7.2
161.09608	1.5
163.09842	0.7
163.11201	13.2
164.11499	1.4
179.10703	1.6
181.12271	32.9
182.12605	2.6
196.79504	0.4
197.11797	1.6
207.10208	87.9
208.10541	7.1
223.88959	0.5
225.11276	100.0
226.11607	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	223.1336
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
50.23794	0.9
57.03312	2.0
58.93174	0.9
59.01254	6.2
69.03329	10.0
71.04900	2.7
71.34801	2.4
83.04913	1.4
85.06480	1.4
95.04881	1.6
106.90862	0.9
109.06488	1.9
125.09624	1.5
149.09561	1.7
161.09579	1.1
161.13283	2.7
167.10709	11.1
168.10970	1.5
177.12793	2.2
179.10683	4.1
179.14325	12.3
180.14645	1.9
189.65649	1.0
195.13844	32.8
196.14214	3.3
205.12285	24.2
206.12625	2.8
223.02690	1.4
223.13354	100.0
224.13676	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.74224	0.3
54.17946	0.3
57.03333	0.4
59.01251	100.0
60.01591	1.2
60.99166	0.4
65.01366	0.3
65.04101	0.3
69.45433	2.5
71.01257	0.4
71.04890	0.6
72.91070	0.3
74.98949	0.5
78.13581	0.3
79.88915	0.3
85.02819	0.6
87.00743	0.8
93.00051	0.7
98.19746	0.6
98.86510	0.3
102.93478	0.3
123.00787	0.3
129.01804	0.5
140.81380	0.3
149.00879	0.5
156.30574	0.4
161.13261	1.3
163.11186	0.5
182.04718	0.3
188.73976	0.3
193.01312	1.0
195.13928	0.4
196.06139	0.6
201.37398	0.3
205.12323	0.4
208.03667	1.0
223.02748	3.4
223.05974	0.8
223.13353	11.8
224.02834	0.6
224.13660	1.2
239.80589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1542
Annotation	Kobusone
Peak:m/z	Relative Intensity
50.81256	0.1
52.31434	0.1
54.68186	0.1
57.79945	0.1
59.01257	0.4
70.34389	0.4
78.07542	0.1
80.94447	0.1
89.78185	0.1
92.50990	0.1
115.69375	0.1
116.79388	0.1
123.06371	0.1
127.07562	0.8
148.05214	0.5
149.05876	0.5
151.07599	0.4
164.07002	0.3
164.08324	2.5
165.08867	0.2
187.70390	0.1
190.99796	0.3
205.12297	1.7
206.02150	0.3
206.12625	1.1
207.13834	1.2
220.14656	4.3
221.15414	100.0
222.15759	10.8
222.18979	0.2
235.13405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.3
59.96591	0.9
60.91748	0.1
70.45565	0.3
74.98946	13.3
75.24866	0.1
75.96076	0.7
75.98888	0.4
81.93835	0.1
93.00012	14.4
93.99961	0.4
97.33577	0.1
101.02322	0.2
107.86672	0.1
114.56461	0.1
118.67434	0.1
121.02887	0.1
149.00867	13.8
150.00833	1.0
150.98784	0.7
165.01628	0.1
165.09097	0.2
175.71854	0.1
179.10699	0.2
192.06755	0.1
193.01331	0.3
206.99654	5.7
207.99733	0.6
208.03696	0.5
208.97467	0.4
223.02788	100.0
223.13281	1.6
224.02829	13.1
225.00748	0.2
226.90836	0.1
241.03857	3.4
242.03984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45334	3.9
57.03316	21.2
58.08080	4.8
59.01249	21.9
65.99751	4.2
68.95074	4.5
68.99703	5.0
69.72402	30.4
71.01257	38.9
72.99171	17.5
73.02827	8.2
75.00757	20.9
83.01261	12.4
84.02047	7.5
85.02826	100.0
87.00755	17.9
89.02335	11.6
96.95887	4.5
99.00758	8.1
101.02326	14.7
103.00272	10.8
111.00774	44.0
125.02316	6.6
129.01840	34.5
129.82912	4.9
142.09023	4.1
143.03502	4.7
147.02948	9.6
149.04475	6.7
165.03964	9.6
205.03522	30.4
223.02753	12.5
223.04672	22.9
223.13345	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.6
57.03318	20.9
58.00480	2.6
59.01243	16.7
64.76596	2.5
68.91634	2.7
68.99693	2.8
69.61720	2.1
71.01263	19.1
71.56845	4.0
72.99184	6.4
73.02837	8.3
75.00755	9.5
83.01250	15.8
84.02048	3.3
85.02827	100.0
86.03183	2.7
87.00748	5.6
92.99983	3.8
99.00778	5.9
101.02338	15.4
111.00766	39.3
112.01109	2.8
116.69019	2.2
119.04925	9.3
129.01840	28.9
147.02888	6.3
161.04428	5.6
161.05797	2.5
165.01904	2.2
179.07141	3.6
181.05016	3.9
193.01326	7.6
205.03468	21.7
206.03766	2.8
208.03618	4.4
223.02715	18.1
223.04572	18.2
223.13409	5.1
237.08675	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	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.36757	0.5
57.03319	1.8
59.01254	9.8
67.56668	0.6
69.03331	11.9
71.01257	2.1
71.04892	2.9
81.03304	0.9
82.38555	0.6
83.04887	1.3
85.06460	1.6
93.00010	0.7
93.03320	1.1
95.04900	1.6
97.06445	0.8
98.19785	1.5
101.02342	0.9
106.68996	0.5
107.08605	0.6
108.05679	0.7
109.06470	2.7
121.02894	1.0
123.08069	0.6
125.09609	1.3
127.92693	0.6
135.11693	1.2
141.09108	1.8
149.00882	1.1
149.09613	2.4
151.00107	0.6
153.09210	0.7
157.20081	0.5
161.13284	1.8
163.03952	0.6
164.83482	0.6
165.01814	1.2
166.06250	1.7
167.10692	13.6
168.11050	1.1
177.12769	1.9
179.10728	5.5
179.14337	12.8
180.11009	0.7
180.14647	1.2
187.11330	0.9
193.01288	2.6
195.13841	33.4
196.14159	2.3
205.12279	23.8
206.12621	2.4
208.03708	2.0
223.02739	6.7
223.06128	1.4
223.13351	100.0
224.02911	1.2
224.13680	10.6
229.81639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0452
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
55.01761	13.2
57.03326	1.1
58.02835	1.4
59.01256	5.3
65.17870	0.7
65.99725	1.1
66.68963	0.9
71.01257	1.7
71.56969	1.3
74.02341	3.5
75.00771	0.9
85.02822	1.0
85.72964	0.8
93.03317	1.3
107.19515	0.8
108.04411	0.9
115.05445	2.0
119.04921	2.0
120.05568	0.8
121.02772	1.0
124.03944	0.9
125.77852	0.9
131.04922	10.8
133.06494	100.0
134.06825	6.4
136.07579	1.8
147.00615	1.0
147.04437	0.9
158.03639	1.4
159.04424	14.1
160.04820	0.9
161.09694	1.4
177.05524	3.0
179.10632	2.0
190.99744	3.4
203.03462	2.6
203.10707	1.9
206.02136	3.4
206.09373	1.9
206.12619	1.2
221.04408	5.4
221.11780	4.7
221.15161	2.7
221.18114	1.6
222.07648	2.5
227.26682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12776	1.5
51.75135	1.4
57.23931	1.7
59.01249	11.4
62.25750	1.7
65.01295	2.3
65.14307	1.6
69.02950	3.6
69.03327	51.4
70.03668	2.1
71.01266	3.2
71.04893	100.0
71.58131	2.1
75.00742	2.1
75.02261	1.8
76.86366	1.7
81.42935	1.9
87.30137	1.6
93.03329	5.3
95.04949	1.9
101.02327	2.2
107.04875	3.9
121.02847	54.0
122.03114	2.1
124.03929	4.8
134.03642	17.4
147.00755	6.4
147.08047	3.8
149.09564	9.6
165.01799	3.8
175.07494	1.7
177.01892	2.2
177.09167	13.8
190.99780	11.0
193.08580	2.2
206.02094	5.2
207.61131	2.0
217.79872	1.6
218.46255	1.6
221.04565	4.4
221.08206	19.4
221.11720	7.8
221.15417	3.1
221.18224	3.5
231.41292	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	221.0815
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.12776	1.5
51.75135	1.4
57.23931	1.7
59.01249	11.4
62.25750	1.7
65.01295	2.3
65.14307	1.6
69.02950	3.6
69.03327	51.4
70.03668	2.1
71.01266	3.2
71.04893	100.0
71.58131	2.1
75.00742	2.1
75.02261	1.8
76.86366	1.7
81.42935	1.9
87.30137	1.6
93.03329	5.3
95.04949	1.9
101.02327	2.2
107.04875	3.9
121.02847	54.0
122.03114	2.1
124.03929	4.8
134.03642	17.4
147.00755	6.4
147.08047	3.8
149.09564	9.6
165.01799	3.8
175.07494	1.7
177.01892	2.2
177.09167	13.8
190.99780	11.0
193.08580	2.2
206.02094	5.2
207.61131	2.0
217.79872	1.6
218.46255	1.6
221.04565	4.4
221.08206	19.4
221.11720	7.8
221.15417	3.1
221.18224	3.5
231.41292	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	219.1387
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
57.03315	1.4
59.01255	1.4
61.01690	0.3
61.98700	0.7
67.42368	0.3
69.29098	1.1
69.29520	2.9
71.01264	0.5
71.04890	0.4
72.46111	0.3
73.49639	0.3
79.05392	0.6
79.23302	0.3
83.04917	1.9
90.05547	0.4
93.06989	0.6
95.04912	0.6
96.95885	0.6
106.04100	0.4
107.02419	0.4
109.02837	0.9
111.04410	5.7
112.22054	0.3
119.08541	0.7
120.05700	0.5
121.02817	0.4
121.06484	0.6
122.03642	0.4
125.05972	2.8
134.06018	0.4
135.08093	1.2
136.05220	0.5
137.09656	1.3
147.08040	0.6
148.05205	2.9
149.05789	0.3
149.09622	0.9
160.08862	0.7
161.09656	4.4
162.09920	0.5
163.07574	3.9
163.11174	0.5
164.08157	0.6
166.06265	0.4
170.05782	0.8
171.07997	0.5
175.03906	0.7
175.07610	1.5
175.11244	2.6
176.11525	0.3
177.12779	1.2
185.09613	0.4
186.10466	1.0
188.08324	1.9
189.09163	4.7
189.12779	2.0
191.10699	0.6
201.12804	12.8
202.13139	1.2
203.10721	16.0
204.07848	1.6
204.11494	38.1
205.11850	3.8
219.02992	1.4
219.10330	3.0
219.13884	100.0
219.17404	50.2
220.06233	0.4
220.14249	10.8
220.17712	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
56.77118	1.0
57.03326	7.7
59.01247	8.7
71.01264	1.5
71.04879	3.9
71.44389	2.2
73.02831	1.9
79.40040	1.1
83.04890	14.5
86.24525	1.0
90.45561	1.0
92.58502	1.0
97.06461	1.8
99.00762	2.3
99.08038	1.6
126.34157	1.2
127.11177	17.3
135.08012	2.6
136.72971	1.0
137.08549	1.8
137.09616	33.7
138.09988	1.9
148.05118	1.2
153.09114	2.5
155.10683	72.9
156.11021	5.6
171.10123	2.2
173.06027	1.5
173.11739	18.7
181.08607	10.0
197.08121	2.6
199.09686	86.4
200.10046	8.1
215.09206	2.4
217.05115	2.6
217.10757	100.0
218.11125	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.69606	0.5
56.58731	0.5
57.03329	2.0
59.01252	8.3
71.34772	0.6
71.35084	0.8
85.02845	0.5
87.27049	0.5
107.64411	0.5
125.09649	1.2
127.11169	4.0
131.03598	0.6
137.09613	4.0
153.09134	1.6
155.10686	50.5
156.11014	4.2
158.03668	0.8
171.10182	72.3
172.10542	5.5
174.99185	1.8
175.11110	0.7
181.08617	1.3
181.27211	0.5
193.32027	0.5
199.09694	7.7
202.06224	0.8
217.00214	1.4
217.10744	100.0
218.11087	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	218.103
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
59.01245	1.9
71.01255	10.0
71.04893	18.0
71.14266	2.0
72.04456	1.1
80.39009	0.8
88.03918	100.0
89.04276	2.1
99.04413	6.0
108.92741	0.8
112.96136	0.9
116.07042	1.5
118.07642	0.9
120.65646	1.0
129.05452	1.0
146.08138	41.6
146.61235	0.8
147.08475	2.5
209.52002	0.8
218.10297	21.0
219.10469	1.2
219.17503	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.11887	0.3
59.01219	0.3
63.26197	0.3
63.58756	0.3
63.79641	0.3
64.15830	0.3
70.14081	0.8
70.14481	0.5
82.18219	0.3
90.20462	0.3
101.07404	0.3
165.12787	0.5
177.12746	0.4
183.13834	36.8
184.14165	3.0
191.86758	0.3
195.13834	28.4
196.14198	2.5
211.13400	0.9
213.14908	100.0
214.15265	10.2
214.16830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0921
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.19061	1.8
59.01254	100.0
60.01593	1.9
69.70403	7.0
69.70826	7.0
72.52467	1.9
72.69928	1.8
81.90110	1.8
98.19803	2.3
111.08032	7.7
125.09591	4.5
127.11163	3.1
141.79608	2.2
143.10713	3.7
144.00803	12.0
153.09099	7.7
155.07072	6.8
171.10191	78.0
172.10510	4.8
185.37891	2.0
197.08188	2.3
215.00951	78.0
215.09190	43.4
215.12784	4.0
216.01230	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	215.092
Annotation	Decarestrictine D
Peak:m/z	Relative Intensity
50.70879	0.9
55.01733	1.0
59.01248	10.4
65.01337	1.1
65.16608	0.8
69.23898	11.2
71.01249	1.8
71.04893	7.2
72.99178	2.3
73.02818	2.2
74.02394	0.8
81.03340	1.4
83.04897	4.2
85.06474	1.0
93.03325	1.8
95.04918	3.5
96.05801	0.8
97.02825	2.9
97.06474	15.3
99.00758	78.8
99.08046	1.7
100.01093	3.2
106.03951	0.9
107.04934	1.0
110.03629	2.1
111.08026	3.4
112.69299	0.8
117.06986	5.6
118.03961	1.1
119.02396	1.1
123.04403	6.7
125.09615	3.5
127.11205	6.3
130.04008	0.9
130.81784	1.2
133.06447	1.5
135.08057	12.6
142.02690	2.6
144.00822	9.7
146.06065	1.4
150.21217	1.0
153.09123	73.9
154.09494	5.5
155.07074	6.4
171.01952	1.7
171.10190	21.5
172.10445	1.0
179.07063	10.9
180.07430	1.0
188.04520	0.9
197.08124	68.4
198.08524	4.4
199.03990	1.4
215.00935	74.7
215.09193	100.0
215.12733	4.4
216.01231	5.2
216.09503	7.6
236.41315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1283
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
59.01248	1.3
61.68670	0.9
67.48940	1.0
69.81609	1.1
70.42253	3.5
71.01263	2.1
71.56525	1.0
72.01988	1.0
73.02807	1.4
98.20492	0.9
125.09602	2.1
127.11187	4.0
131.55835	1.0
134.09708	1.9
136.22888	1.2
140.17319	0.9
141.12697	1.3
144.00836	9.3
155.10710	2.0
171.10196	15.7
172.10545	1.1
179.10718	1.9
185.11772	2.1
197.11801	5.9
209.82072	1.1
213.11328	5.1
215.00929	44.8
215.12834	100.0
216.01247	3.5
216.13191	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	211.1336
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01244	0.3
69.03323	1.1
69.59579	1.2
69.60008	1.1
83.04905	0.5
86.11303	0.3
86.44463	0.3
97.06445	0.4
98.20530	0.6
111.08036	0.7
123.08068	0.3
129.58678	0.3
139.07547	0.3
149.05997	0.3
155.10698	0.6
157.05142	0.4
165.12744	0.7
167.07042	0.4
167.10687	1.2
167.14302	1.5
169.05083	0.4
181.12271	0.5
183.13837	16.3
184.14145	1.1
185.04550	0.4
193.12279	4.4
194.12570	0.6
194.70436	0.3
196.03694	0.6
211.13338	100.0
212.13680	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	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
54.70488	0.4
57.03318	0.9
82.49122	0.4
83.04893	0.4
97.06470	1.3
106.04009	0.6
108.93138	0.5
125.09637	0.9
135.21985	0.4
151.11192	12.5
152.11565	0.7
169.12260	100.0
170.12607	7.6
187.06183	0.7
195.10229	0.8
213.11266	9.9
213.14851	1.9
213.18555	1.7
214.11555	1.2
229.69926	0.4
230.70837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1128
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03326	6.2
59.01249	2.1
59.87995	0.5
64.44256	0.5
65.01311	0.9
69.03335	1.3
71.04910	0.7
83.04912	2.3
85.06513	0.8
87.04365	0.4
93.03357	0.6
95.87791	0.4
99.08090	0.5
105.04498	0.6
106.03999	1.1
109.06493	0.9
111.04405	0.7
111.08051	16.2
112.08377	1.3
123.08051	56.5
124.08402	3.2
125.09609	6.2
135.08049	0.8
137.09627	11.5
138.09953	0.9
139.11188	78.8
140.11539	5.9
142.40422	0.5
144.04420	0.4
144.05557	0.6
145.03986	0.5
145.05052	0.5
147.27510	0.5
149.09636	1.0
151.11198	13.4
152.11497	1.5
153.09096	1.4
157.05083	0.5
167.10680	2.4
169.12257	7.6
170.12492	0.6
171.06685	0.6
172.06189	0.7
174.54538	0.5
185.11847	0.7
186.02975	0.5
187.06126	0.8
213.11272	100.0
213.14772	3.0
213.18320	2.5
214.01413	0.4
214.07268	0.9
214.11588	7.7
214.15009	0.5
219.59608	0.4
231.71767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29203	0.5
56.99352	0.5
57.03312	0.7
59.01242	1.3
71.01279	0.6
80.02547	3.4
81.03338	3.2
83.01228	0.6
83.04901	11.9
85.02837	2.1
91.01760	1.0
93.03346	0.9
94.02866	1.1
95.04903	2.1
97.06470	0.8
98.19690	0.6
108.00180	0.4
109.06463	0.6
111.08086	0.6
120.02052	0.6
121.02854	31.7
122.02383	0.7
122.03155	2.7
124.03900	3.0
125.05942	1.5
135.08031	1.4
136.01559	0.9
137.05969	0.8
151.07536	0.7
156.05589	0.8
161.02368	0.8
163.11215	9.9
164.11549	0.5
165.05444	0.6
165.12784	5.0
166.64635	0.6
173.09688	0.6
178.99933	0.5
179.03430	1.4
181.12257	1.2
183.06696	0.6
191.10669	3.1
194.02148	1.0
194.05798	1.0
209.04536	3.3
209.11780	100.0
210.07834	0.8
210.12129	9.1
213.01219	0.5
219.16801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1336
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
63.76951	0.5
69.03329	1.0
69.93255	0.5
83.04896	0.6
95.04807	0.5
101.25332	0.5
101.79866	0.5
107.77119	0.5
151.76439	0.4
155.10686	0.7
165.12747	1.3
167.10715	0.9
167.14359	1.9
183.13835	16.7
184.14130	1.7
193.12263	4.2
211.13345	100.0
212.13690	8.9
229.36380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51501	0.4
69.03320	0.8
83.04939	0.5
96.74747	0.5
110.76344	0.4
141.19511	0.4
145.58414	0.4
165.12782	1.0
167.10664	0.8
167.14337	1.5
183.13841	14.6
184.14206	1.4
193.12279	3.5
194.12543	0.5
211.13345	100.0
212.13687	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	0.4
59.01250	0.4
60.55612	0.3
69.03321	0.3
70.22342	1.5
73.44079	0.3
80.02545	3.1
81.03340	2.6
83.04901	11.3
84.05248	0.6
94.48592	0.4
95.04902	1.9
96.95892	0.7
109.06505	0.6
120.02032	0.5
121.02852	10.3
122.03146	0.5
124.03934	0.9
125.05994	1.3
135.08070	1.9
147.11664	0.6
163.11212	8.6
164.11534	0.8
165.12750	5.5
166.13091	0.7
180.72398	0.4
181.12288	1.7
185.69063	0.3
191.10754	2.1
209.04460	1.0
209.11772	100.0
210.12106	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00222	0.3
56.75291	0.3
57.03329	0.6
59.01235	1.2
65.00220	0.3
65.01311	0.6
71.01250	1.0
73.02854	0.3
80.02551	3.1
81.03324	2.8
81.04444	0.3
82.46889	0.3
83.01266	0.6
83.04903	9.9
84.05241	0.4
85.02828	2.9
91.01786	0.4
91.34801	0.3
93.03336	1.1
94.02847	1.0
95.01275	0.4
95.04907	1.4
97.06481	0.5
107.04905	0.4
108.02022	0.4
109.06461	0.9
111.00744	0.3
121.02848	30.3
122.03125	1.7
123.04452	0.4
124.03932	2.7
125.05967	1.0
125.09630	0.4
135.08072	1.9
137.02359	0.4
137.05971	0.8
147.08038	0.4
147.11717	0.6
150.03055	0.4
151.03912	1.1
151.07520	0.4
153.05377	0.4
156.05566	0.5
161.02342	1.8
163.11212	7.5
164.11557	0.5
165.01807	0.4
165.05502	0.4
165.09070	0.6
165.12778	5.3
166.13206	0.3
173.09589	0.4
176.04671	0.7
179.03430	3.2
181.12230	1.7
183.06683	1.1
191.01837	0.5
191.07062	0.5
191.10703	1.7
194.02164	0.7
194.05807	2.9
209.04567	3.0
209.11777	100.0
210.07803	1.1
210.12126	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01754	4.3
57.03320	3.0
59.01239	0.5
64.49684	0.5
69.03319	1.9
69.74583	3.4
71.01240	1.0
71.04907	1.0
80.02541	1.3
81.03330	5.7
83.01257	42.3
83.04877	4.4
84.01600	1.1
84.02041	2.5
93.03339	0.7
95.04903	2.0
97.06464	8.4
103.07235	0.5
106.04148	0.5
108.02096	0.7
109.06570	0.6
111.08031	1.6
121.02843	17.5
122.03177	0.6
123.08058	4.1
124.03946	0.8
125.06033	0.8
125.09615	36.6
126.09965	2.0
135.08064	3.7
145.10107	0.8
147.11703	1.5
149.09714	0.6
161.09785	0.6
163.09836	0.8
163.11189	13.0
163.12495	0.9
164.11559	1.1
165.12741	4.3
167.10768	0.6
181.12257	3.2
191.10704	10.0
192.10941	0.8
209.11768	100.0
210.12097	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	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.16294	0.4
59.01234	0.4
62.06702	0.4
84.21907	0.4
98.20657	0.8
109.02892	0.4
121.02844	18.4
122.03193	0.7
124.03915	1.3
181.12416	0.5
185.37680	0.4
191.10640	0.5
200.64688	0.4
209.04556	1.4
209.11771	100.0
210.12096	9.1
211.76431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	0.4
59.01250	0.4
60.55612	0.3
69.03321	0.3
70.22342	1.5
73.44079	0.3
80.02545	3.1
81.03340	2.6
83.04901	11.3
84.05248	0.6
94.48592	0.4
95.04902	1.9
96.95892	0.7
109.06505	0.6
120.02032	0.5
121.02852	10.3
122.03146	0.5
124.03934	0.9
125.05994	1.3
135.08070	1.9
147.11664	0.6
163.11212	8.6
164.11534	0.8
165.12750	5.5
166.13091	0.7
180.72398	0.4
181.12288	1.7
185.69063	0.3
191.10754	2.1
209.04460	1.0
209.11772	100.0
210.12106	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0661
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
55.01762	3.4
56.24215	0.8
57.03324	27.8
58.00462	1.7
59.01256	23.0
65.99731	0.8
67.01736	1.2
68.99679	2.5
69.03314	1.2
71.01257	25.6
71.13843	1.4
72.99184	6.6
73.02820	3.1
75.00755	5.1
83.01256	6.4
84.02043	8.2
85.02824	100.0
86.03149	2.5
87.00754	29.7
87.04388	1.6
89.02319	9.3
94.94573	0.6
96.00795	0.7
96.95884	2.6
97.02843	2.3
99.00768	4.5
101.02308	4.8
103.00238	2.3
104.23369	0.7
109.02853	0.7
110.02362	1.1
111.00764	10.0
113.02326	0.7
115.00249	2.1
115.03867	1.0
119.92947	0.7
121.02853	1.7
124.03937	1.1
124.98711	1.6
129.01839	38.4
130.02124	1.3
133.01323	5.5
135.02847	1.4
138.01846	0.8
139.00259	0.9
141.01834	3.4
142.99765	2.1
147.02930	1.8
153.01814	0.7
159.02902	6.2
173.00859	1.3
179.03372	0.7
191.01894	6.8
209.03334	5.8
209.06619	51.1
210.06976	3.5
229.44931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0848
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
56.47171	0.2
57.03325	0.3
59.01243	0.7
65.01338	0.2
70.82144	0.6
71.01240	0.3
72.92266	0.2
72.99172	0.2
74.47594	0.2
75.39841	0.2
76.06112	0.2
79.95603	4.5
80.02570	0.2
81.03318	0.5
83.04886	0.5
85.02822	0.7
91.01749	0.2
93.03332	0.3
94.02866	0.8
95.04897	0.3
95.95097	1.2
96.29341	0.2
96.95891	100.0
97.06482	0.2
97.95816	0.5
107.04949	0.2
107.33769	0.2
108.02011	0.3
109.02837	0.3
109.06496	0.4
111.08055	0.4
121.02849	19.0
121.06463	0.2
122.03175	1.4
123.04330	0.2
123.08050	0.4
124.03960	1.6
135.04420	0.5
135.07976	0.3
136.01633	0.2
136.98714	0.3
137.05948	0.7
137.09608	0.3
139.03986	0.2
141.95665	0.2
151.07553	0.2
156.05600	0.3
163.11180	0.4
165.09145	0.2
165.12776	1.6
166.05058	0.2
178.99818	0.3
179.03452	0.5
183.06642	0.3
191.10706	0.2
194.02104	0.7
194.04622	0.4
209.04442	2.1
209.08475	59.3
209.11755	5.3
210.04784	0.2
210.08838	3.9
210.12032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
57.03328	13.5
59.01245	13.4
66.77737	1.0
68.99686	2.2
71.01257	31.4
72.99188	11.6
73.02813	2.1
75.00743	6.3
80.18201	1.0
83.01255	3.4
84.02032	3.3
85.02823	100.0
86.03123	2.0
87.00763	3.1
89.02307	8.9
91.96569	1.4
94.02885	1.5
101.02322	1.3
110.08033	1.2
111.00758	4.5
115.00284	1.2
115.30393	1.0
119.04922	2.2
121.02847	49.1
122.03188	2.8
122.34714	1.1
124.03911	4.8
124.04694	1.0
129.01860	6.4
133.01329	8.7
135.04407	1.3
136.05174	1.0
137.02304	1.6
147.02870	2.0
147.04388	3.3
150.03033	1.1
173.00774	2.5
178.40753	1.1
179.03404	1.2
179.58913	1.0
191.01872	11.6
191.03448	7.3
194.02132	1.6
194.05853	1.2
209.02829	12.4
209.04745	6.1
209.08151	1.9
209.11757	3.2
210.05025	1.2
210.07643	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	209.045
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
55.83924	0.5
57.88580	0.5
59.01260	0.9
62.48318	0.5
69.75065	3.3
71.01258	1.6
72.99180	11.9
75.00737	0.7
81.01704	0.5
85.02815	3.6
91.01772	1.9
91.43890	0.5
94.02872	1.5
94.06507	4.6
96.95886	0.7
98.19794	1.1
109.01602	0.7
111.69177	0.7
114.01866	0.8
116.17107	0.5
119.04910	3.3
120.02061	1.0
121.02848	100.0
122.03167	4.5
122.36895	0.5
124.03948	1.9
135.04404	2.7
135.33485	0.6
136.01520	1.7
139.03915	0.5
147.04424	9.8
150.03101	0.7
151.03923	0.8
161.02338	0.9
163.03914	1.4
165.10246	1.8
175.30257	0.7
176.04669	0.7
178.99675	0.8
179.03442	1.8
181.05051	0.7
191.03433	26.7
192.03822	2.7
194.02109	1.1
194.05850	1.1
194.07681	1.2
209.03099	0.8
209.04518	18.2
209.08101	1.0
209.11760	5.2
210.04890	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	209.045
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01247	1.4
60.94596	0.3
71.01254	0.9
72.30051	0.3
72.99184	1.1
73.67548	0.3
81.03302	0.5
85.02835	3.1
91.01775	1.6
93.03340	0.4
94.02867	0.8
95.01270	0.9
95.04922	0.8
96.95922	0.6
97.84239	0.4
107.04900	0.4
108.02034	0.5
109.01595	0.7
114.22846	0.4
120.02078	1.5
121.02852	100.0
122.03188	5.6
124.03950	1.4
129.01787	0.4
136.01566	1.5
137.05988	0.8
152.69418	0.3
165.01845	0.3
165.05527	0.5
175.63448	0.4
179.03433	0.6
181.04951	0.5
191.01947	0.7
191.03510	0.7
191.10703	0.4
194.02097	0.4
194.05884	0.4
209.04500	8.8
209.06355	0.7
209.08180	1.2
209.11745	2.7
210.04832	0.7
210.07893	0.5
229.44284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
51.98021	0.3
55.01751	2.4
57.03326	16.0
58.00464	0.7
58.03651	0.5
58.53421	0.3
59.01253	16.1
60.01589	0.3
64.07204	0.3
67.01735	0.5
67.84193	0.3
68.99683	2.1
70.77277	0.4
70.77631	0.7
71.01254	28.7
72.01588	0.8
72.99183	8.1
73.02823	1.7
75.00748	5.8
83.01257	3.2
84.02038	3.5
85.02825	100.0
86.03145	2.8
87.00753	8.3
89.02320	9.8
90.02674	0.3
96.95873	0.4
97.06446	0.3
98.26777	0.3
99.00758	1.6
101.02317	1.9
103.00259	1.8
111.00768	5.6
112.98662	1.0
115.00265	2.3
121.02858	0.8
129.01833	11.3
130.02130	0.4
133.01326	9.0
133.02353	0.5
134.01691	0.5
141.01793	0.6
142.62950	0.3
142.99765	3.8
145.01338	0.4
147.02916	2.8
150.01794	0.4
151.07527	0.3
159.02881	1.1
165.03908	0.3
169.91100	0.3
173.00838	2.3
191.01906	14.4
192.02278	0.5
209.02966	14.6
209.06554	7.3
210.03413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41584	0.6
54.43527	0.7
55.01756	2.3
57.03328	15.6
58.00486	0.8
59.01252	14.8
68.99688	2.3
70.98424	1.2
71.01256	29.8
72.99178	8.5
73.02819	1.1
75.00754	6.5
83.01254	3.6
84.02036	4.0
85.02826	100.0
86.03151	3.2
87.00747	6.2
89.02319	7.4
95.74738	0.6
99.00790	0.7
101.02311	1.2
103.00268	2.4
110.61681	0.7
111.00754	5.1
115.00253	2.8
121.02841	0.7
124.03946	0.7
128.62003	0.6
129.01839	11.4
133.01328	10.0
133.02255	1.2
142.99794	0.7
147.02956	3.5
159.02977	0.7
166.04987	1.1
173.00874	1.6
191.01904	20.0
192.02203	1.1
209.02982	18.3
209.06575	8.0
210.03230	1.0
213.43201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01752	1.7
57.03325	12.4
58.00454	1.0
59.01250	14.2
68.99688	2.1
71.01254	32.3
71.56361	0.9
72.01578	0.7
72.99184	7.8
73.02817	0.8
75.00751	5.9
81.03338	0.5
83.01248	3.3
84.02061	3.3
85.02824	100.0
86.03155	3.3
87.00754	3.9
89.02320	9.6
95.04893	1.0
96.95894	0.6
100.03864	0.6
101.02325	1.3
103.00263	2.7
108.01994	0.5
111.00760	5.9
112.61485	0.4
115.00241	2.2
121.02830	1.6
123.04379	0.6
124.03934	1.4
129.01826	6.6
133.01320	10.0
135.04480	0.5
137.05940	1.0
140.06010	0.5
147.02875	3.6
147.04424	0.8
151.06125	0.5
167.03464	0.9
173.00832	1.6
179.03500	0.6
181.25740	0.5
191.01909	16.7
191.03456	1.6
192.02182	1.0
209.02928	15.7
209.04576	1.6
209.08167	0.6
209.11732	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	209.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03327	12.5
58.00496	0.6
58.03645	0.6
59.01254	13.2
60.77124	0.5
63.09283	0.5
68.99677	1.8
70.51511	0.5
71.01258	30.8
71.05452	1.4
72.01592	1.1
72.99186	7.6
73.02811	0.5
75.00753	6.7
75.07304	0.5
83.01250	2.5
84.02030	3.2
85.02827	100.0
86.03168	2.8
87.00762	4.1
89.02325	10.2
94.02853	0.7
96.95895	0.9
99.00759	0.6
101.02335	1.4
103.00252	3.1
111.00760	6.9
115.00301	2.4
121.02847	1.8
124.03936	1.7
129.01830	7.5
133.01321	9.9
145.01288	0.7
147.02940	2.9
147.04074	0.5
147.53630	0.5
173.00792	2.4
191.00203	1.1
191.01920	19.0
191.03458	1.3
192.02290	1.1
209.02968	16.3
209.04678	0.8
209.08150	1.3
209.11801	0.5
222.57745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02849	38.7
62.21434	0.7
68.97124	0.5
70.02852	13.5
72.00772	6.5
91.05411	11.5
92.05773	0.9
135.04440	2.1
147.04424	37.7
148.04747	2.0
158.48526	0.6
162.09090	0.8
164.07080	100.0
165.07410	6.3
206.08173	27.3
207.08496	2.8
229.29883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.4
57.03325	15.5
58.00461	0.7
58.06027	0.3
59.01252	15.2
68.99696	2.3
70.20073	1.0
71.01254	38.3
72.01600	1.1
72.99184	9.8
73.02824	1.0
73.99532	0.3
75.00748	8.0
78.95778	1.0
79.95614	0.3
80.96390	0.7
83.01258	3.4
84.02048	3.5
85.02825	100.0
86.03159	2.9
86.47836	0.3
87.00748	4.0
89.02316	8.6
96.95883	1.9
99.00764	0.7
101.02330	1.6
103.00233	2.2
108.24272	0.2
111.00767	5.7
115.00253	3.0
119.08584	0.2
121.02842	0.5
129.01833	6.8
130.02147	0.3
133.01328	10.4
136.93883	0.3
145.01364	0.4
147.02910	3.5
151.47949	0.3
172.37000	0.3
173.00850	1.7
191.01917	17.7
192.02237	1.2
209.02968	16.3
209.11723	0.3
210.03339	0.7
224.56213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0348
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01754	7.4
57.03320	6.9
59.01252	88.3
62.48686	4.8
67.01765	6.2
68.99689	13.9
71.01259	100.0
71.04900	6.5
71.35300	7.6
72.99190	44.3
73.02826	18.8
75.00755	40.7
75.01118	6.8
83.01269	12.4
83.04921	7.5
85.02828	13.3
87.00747	74.1
89.02351	8.2
93.03295	5.8
96.99210	7.4
97.06522	5.2
99.00761	33.3
99.04408	18.1
99.20238	5.2
100.98667	5.6
101.02330	35.6
103.00241	8.3
111.00767	79.4
112.01188	5.4
112.98707	21.3
115.00264	89.4
115.03928	8.8
117.01840	12.7
119.04907	6.3
124.98716	6.8
125.02341	45.1
127.00256	9.4
129.01820	17.9
130.99757	15.2
141.79059	5.3
142.99768	21.9
143.03404	12.1
143.07031	13.2
145.01299	35.2
145.04945	15.4
154.99823	18.4
170.39761	5.4
175.02454	10.2
179.26385	5.4
187.02440	7.6
205.03528	11.7
205.07062	9.9
206.04160	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	206.0818
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
50.03956	0.8
58.02850	56.3
59.01234	2.0
65.01337	0.9
65.99718	1.0
70.02848	14.4
71.34486	0.9
71.34810	0.8
71.35948	0.9
72.00773	9.2
74.69832	0.7
91.05412	8.9
104.76727	0.7
118.66654	0.8
121.02790	0.7
130.95604	0.7
135.04413	2.4
147.04420	47.3
148.04791	3.4
162.09088	2.0
164.07083	100.0
165.07446	6.7
177.01848	4.0
192.00607	1.2
192.04240	2.7
206.08170	23.7
206.12479	1.0
207.02960	1.7
207.06714	1.4
207.08557	2.6
207.10323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0821
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.88718	0.5
53.72822	0.6
59.01247	0.6
70.43619	1.1
70.44008	1.7
72.00782	27.8
74.02345	37.7
116.04949	100.0
117.05299	6.4
123.96726	0.6
130.06523	3.3
132.08098	1.2
142.06526	28.5
143.06879	2.4
156.62642	0.6
157.07626	0.8
159.09184	21.2
160.09525	1.4
161.04793	1.1
172.53035	0.6
184.08783	0.6
186.05499	5.0
203.08199	70.5
204.08546	5.3
204.10167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31125	0.8
71.04404	1.6
71.04729	1.2
72.00778	26.3
74.01920	1.4
74.02347	37.8
116.04949	100.0
117.05290	6.2
119.31201	0.8
130.06496	3.2
132.08041	1.3
142.06528	31.8
143.06906	2.2
159.07928	1.2
159.09193	14.9
160.09535	1.7
161.04755	1.2
186.05548	2.7
203.08202	54.3
204.08556	4.6
212.69029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.9
59.01245	1.5
61.66013	0.7
65.99733	0.8
67.40932	0.6
71.01251	0.9
71.04892	10.1
71.58572	0.8
72.99159	0.7
83.04884	0.9
85.06488	1.0
97.06474	4.0
99.08034	2.3
99.34895	0.6
107.02394	0.7
109.03947	0.6
121.03964	0.9
127.10272	1.0
127.11181	13.0
134.03549	0.7
137.09624	2.7
139.11168	2.5
155.10693	10.5
157.12256	58.8
158.12607	3.7
159.04413	0.7
176.04536	2.0
183.41267	0.6
185.11679	1.1
201.11261	1.4
203.12830	100.0
204.13184	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	203.1284
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03324	4.5
59.01257	1.4
65.01321	0.8
65.99712	0.9
69.03306	0.4
70.06483	1.2
70.06886	0.8
71.01270	0.5
71.04906	1.4
72.99168	2.1
77.54182	0.3
83.04908	0.7
85.06476	0.5
99.08062	0.8
107.02438	0.5
109.04002	0.7
111.08051	2.0
113.09605	6.5
116.04936	2.5
118.04014	0.4
123.08072	1.4
127.11182	6.6
128.04977	0.9
128.11505	0.5
130.06529	1.1
131.04964	0.4
133.03989	0.7
133.05000	0.4
134.03519	1.3
137.09592	1.0
139.11203	2.1
141.09094	3.4
142.06538	1.8
155.10684	11.9
156.10999	0.4
157.12254	57.1
158.03548	0.3
158.06033	4.5
158.12585	4.2
159.04420	0.7
159.08005	0.4
160.03954	1.7
162.06693	0.5
172.04160	0.4
176.04605	0.9
185.11726	1.0
186.05557	1.3
201.11263	1.5
203.12827	100.0
204.02983	0.5
204.06596	4.3
204.10153	0.4
204.13150	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03310	2.0
58.00470	2.3
58.02861	1.4
59.01251	11.3
65.01324	2.3
65.99729	2.1
69.03320	1.1
69.46278	1.8
69.46692	5.5
71.01239	1.7
72.99168	5.1
73.02805	1.2
82.03986	1.5
89.01341	0.9
91.02900	1.4
92.02435	1.0
97.06477	0.8
98.20526	1.1
99.00765	1.0
99.92483	0.9
100.38049	0.8
111.00752	1.3
111.08074	1.3
119.02394	1.5
120.04400	0.9
121.03983	1.1
123.08025	0.9
125.09619	8.2
127.11175	12.4
130.04031	1.7
132.05589	2.1
133.03972	3.1
134.85294	0.9
137.09628	4.4
139.11197	4.5
152.59622	0.8
153.09079	1.6
155.10699	6.3
157.05164	0.9
157.12190	1.1
158.03543	1.2
159.03035	1.6
159.05475	1.0
159.06706	1.6
160.05055	1.5
165.09151	4.2
171.10191	3.1
173.06024	1.2
174.03000	1.6
174.06657	3.0
175.06177	2.7
183.10202	6.0
199.09740	2.5
201.01866	1.1
201.03981	1.4
201.07668	2.3
201.11263	100.0
202.11569	7.4
203.07791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03329	7.6
58.94878	0.4
59.00950	0.8
59.01255	17.2
60.94692	0.4
65.01322	1.5
65.99722	0.6
66.00836	0.4
69.03335	1.4
71.01264	1.1
71.04910	0.7
71.57896	0.7
82.03986	0.4
82.59560	0.4
83.04899	0.8
87.00771	0.5
89.81689	0.4
91.02888	0.6
99.00736	0.6
99.08080	0.6
99.92467	1.5
106.03992	0.8
111.00773	0.5
111.08046	5.8
114.36769	0.4
119.02457	0.8
125.09647	1.2
130.04053	0.6
132.05579	1.6
133.04021	1.0
133.05110	0.4
137.09662	2.7
139.11194	100.0
140.11531	6.9
141.93532	1.4
147.05585	0.6
155.14313	0.5
157.05125	0.5
157.12274	1.6
159.01413	0.5
159.06683	0.6
159.89244	0.6
160.04955	0.5
160.26591	0.5
173.02429	0.4
174.02966	0.5
174.06659	1.6
175.06171	1.2
183.10201	28.7
184.10509	2.2
191.96880	0.4
201.02539	0.9
201.11264	86.4
201.15047	2.0
202.07413	0.6
202.11604	5.9
203.29767	0.4
221.41844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
58.00470	2.3
58.02861	1.4
59.01251	11.3
65.01324	2.3
65.99729	2.1
69.03320	1.1
69.46278	1.8
69.46692	5.5
71.01239	1.7
72.99168	5.1
73.02805	1.2
82.03986	1.5
89.01341	0.9
91.02900	1.4
92.02435	1.0
97.06477	0.8
98.20526	1.1
99.00765	1.0
99.92483	0.9
100.38049	0.8
111.00752	1.3
111.08074	1.3
119.02394	1.5
120.04400	0.9
121.03983	1.1
123.08025	0.9
125.09619	8.2
127.11175	12.4
130.04031	1.7
132.05589	2.1
133.03972	3.1
134.85294	0.9
137.09628	4.4
139.11197	4.5
152.59622	0.8
153.09079	1.6
155.10699	6.3
157.05164	0.9
157.12190	1.1
158.03543	1.2
159.03035	1.6
159.05475	1.0
159.06706	1.6
160.05055	1.5
165.09151	4.2
171.10191	3.1
173.06024	1.2
174.03000	1.6
174.06657	3.0
175.06177	2.7
183.10202	6.0
199.09740	2.5
201.01866	1.1
201.03981	1.4
201.07668	2.3
201.11263	100.0
202.11569	7.4
203.07791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1335
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.70764	0.3
55.95970	0.4
59.01244	1.6
69.03336	0.4
71.45765	0.6
83.01315	0.4
99.00770	0.6
121.43719	0.4
129.38135	0.4
155.10677	0.6
163.11214	1.6
169.12271	7.5
170.12692	0.4
181.12268	27.1
182.12589	2.2
196.44261	0.4
197.11783	2.5
199.13342	100.0
200.13676	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03321	1.2
57.13879	0.3
63.96418	0.3
64.41779	0.4
66.23224	0.3
71.04894	1.4
97.06496	0.3
98.00949	0.3
118.25564	0.3
125.09587	1.6
127.11184	4.5
128.11536	0.5
141.57915	0.4
147.72508	0.3
153.12778	1.0
155.10730	0.4
155.14330	0.8
158.03568	0.3
163.11206	0.5
171.10222	0.5
181.12236	1.5
197.11765	2.3
199.13342	100.0
200.13672	9.1
200.15410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03310	0.8
59.01241	1.5
65.01321	0.4
66.00830	0.4
69.42802	3.3
69.43215	0.5
78.43575	0.4
82.42490	0.5
83.04913	1.1
90.31271	0.4
98.20625	0.6
113.22511	0.4
130.03969	0.5
137.09628	7.1
138.09929	0.5
146.58968	0.4
155.10686	100.0
156.11029	7.7
172.05043	0.8
181.08676	0.8
183.35674	0.4
186.15331	0.5
199.06177	0.9
199.09700	6.9
199.13319	2.4
199.16943	1.1
200.10112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03316	2.3
59.01254	1.0
65.01321	0.6
67.01763	0.7
67.28059	0.5
69.03332	2.1
71.01245	0.9
71.04880	3.4
73.02825	0.6
80.86237	0.4
83.04897	1.5
84.06794	0.4
92.02390	0.5
92.99727	0.6
99.00763	2.7
99.08033	1.6
111.00765	1.0
111.04419	0.6
125.09612	2.6
127.11112	0.8
130.03984	0.7
137.09610	1.6
139.49237	0.5
145.05103	0.4
154.99753	0.5
155.08653	0.8
155.10718	2.3
155.14302	4.7
156.89478	0.6
157.05075	0.6
162.83849	1.2
164.83502	1.0
171.10185	0.6
172.05046	0.8
181.08618	0.6
181.12289	0.9
199.09726	5.6
199.13339	100.0
199.16949	5.6
199.80438	0.8
200.09657	0.5
200.13681	7.7
200.17412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.43280	0.8
53.40511	0.7
57.03335	0.9
59.01255	8.9
60.99165	1.6
65.01319	1.3
65.99723	1.2
69.60722	4.5
69.61135	1.3
71.04902	1.0
81.03316	1.4
81.04438	0.9
83.04886	0.8
84.99258	0.8
95.01241	1.0
95.04879	1.2
97.02828	0.9
97.06474	3.9
98.19773	1.1
109.02824	1.4
111.01864	0.9
121.02817	1.6
123.00768	2.6
125.02345	1.4
130.03960	0.9
135.04375	0.9
135.08038	0.8
137.61972	0.8
138.03024	1.2
138.91313	0.9
151.11188	2.2
153.09149	1.1
153.12772	3.5
155.06856	0.8
166.99802	2.6
171.02847	0.9
171.06691	2.0
175.60799	0.8
179.10689	14.0
180.11043	0.9
182.02106	3.8
183.01616	1.2
183.09967	0.8
195.10217	3.0
197.04578	3.4
197.08060	2.5
197.11768	100.0
198.03964	1.1
198.07733	1.4
198.12105	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1541
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03329	3.7
58.27306	0.6
58.92606	0.5
59.01246	1.7
66.14841	0.5
69.03325	1.8
70.23051	1.2
70.23463	1.9
71.04912	1.4
80.02558	1.7
81.03327	4.1
83.04902	14.9
84.05223	0.7
85.06445	0.8
89.78441	0.5
93.03326	1.4
95.01290	1.9
95.04901	6.9
97.02842	0.6
97.06473	29.9
98.06811	1.9
107.04926	0.7
109.02797	0.9
109.06479	3.4
111.08044	24.3
112.01560	0.8
112.03935	1.1
112.08408	1.1
116.92706	1.5
121.02828	1.3
123.00777	3.5
123.08020	1.0
125.02304	0.7
126.90404	1.2
130.99197	0.6
135.08070	1.5
137.09607	1.8
138.03018	1.0
138.44408	0.6
139.00093	0.7
147.11653	3.8
149.09647	1.3
153.05559	0.8
153.09132	1.2
153.12741	2.1
160.84120	7.6
162.83829	14.1
162.85086	1.1
163.11192	8.7
165.12770	100.0
166.13100	7.8
166.99759	3.4
178.99786	0.8
179.10867	0.5
182.02150	5.3
193.72240	0.7
195.34508	0.5
197.04501	1.6
197.06287	0.6
197.08116	2.3
197.10101	1.1
197.11761	6.8
197.15428	2.3
197.80721	8.1
198.07367	0.7
209.11798	6.6
210.12143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01758	0.6
57.03306	0.5
59.01244	1.2
68.14324	0.3
69.03326	0.9
71.04892	1.5
79.10090	0.3
81.15523	0.4
95.01292	0.4
95.04908	0.5
97.06469	16.9
98.06776	0.5
98.20552	1.0
99.08038	4.4
106.48418	0.3
107.04942	0.4
109.06471	0.6
111.08031	0.9
121.02796	0.4
122.03636	2.8
123.00761	1.4
125.02331	0.5
125.09621	0.9
126.03086	1.1
128.80722	0.4
137.09641	1.5
138.03062	0.4
151.11209	1.5
153.12761	100.0
154.13104	8.4
160.84135	1.3
162.83813	3.0
166.99797	0.6
179.10703	20.8
180.11031	1.7
182.02133	2.1
197.08171	0.5
197.11768	7.5
197.80797	1.7
198.07886	0.5
198.12137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	21.8
58.03679	0.6
59.01253	100.0
60.01589	1.7
69.03326	1.3
69.57796	3.8
75.00748	0.9
75.16009	0.4
81.03329	0.9
83.04916	1.5
85.06458	1.2
94.59655	0.4
95.04895	2.1
97.06490	3.1
98.20594	0.6
107.04922	1.5
109.06474	8.3
120.05750	0.5
123.08051	19.7
124.08401	1.4
125.09608	4.7
133.10112	0.7
135.08057	6.7
149.09621	0.9
150.03131	1.2
151.11212	5.0
153.02969	2.9
165.05469	0.7
177.09105	0.6
177.12804	1.0
179.10674	1.1
195.10205	8.0
195.13846	17.6
196.06207	0.5
196.10446	0.9
196.14200	1.7
213.81372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	21.8
58.03679	0.6
59.01253	100.0
60.01589	1.7
69.03326	1.3
69.57796	3.8
75.00748	0.9
75.16009	0.4
81.03329	0.9
83.04916	1.5
85.06458	1.2
94.59655	0.4
95.04895	2.1
97.06490	3.1
98.20594	0.6
107.04922	1.5
109.06474	8.3
120.05750	0.5
123.08051	19.7
124.08401	1.4
125.09608	4.7
133.10112	0.7
135.08057	6.7
149.09621	0.9
150.03131	1.2
151.11212	5.0
153.02969	2.9
165.05469	0.7
177.09105	0.6
177.12804	1.0
179.10674	1.1
195.10205	8.0
195.13846	17.6
196.06207	0.5
196.10446	0.9
196.14200	1.7
213.81372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.41833	0.6
56.50907	0.6
57.03321	0.9
59.01258	7.1
69.42410	2.5
69.42838	2.6
71.01246	0.9
77.71581	0.6
83.01251	2.1
83.04887	1.0
107.04883	0.6
121.02785	0.6
123.00762	0.7
123.04356	1.2
123.08031	0.8
137.02350	0.7
138.01878	1.7
139.02650	1.8
150.03104	1.1
151.03897	1.2
151.07538	0.9
152.91692	3.8
160.84126	6.2
165.01791	1.4
165.05486	0.7
167.90436	1.1
177.12773	4.9
180.04250	2.0
194.92793	1.0
195.02945	0.6
195.04469	2.4
195.06615	2.7
195.13843	100.0
195.81075	3.0
196.06158	1.0
196.09717	9.5
196.14180	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	195.1384
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
57.03327	29.0
58.03655	0.7
59.01253	100.0
60.01587	1.6
69.03333	2.0
69.77409	2.2
69.77822	1.1
75.00761	0.8
81.03342	0.6
83.04877	2.3
85.06480	1.3
95.04904	2.2
97.06467	3.6
99.81370	0.5
107.04906	2.6
109.06484	10.5
111.07999	0.6
120.05714	0.7
123.08051	27.1
124.08395	1.8
125.09621	6.1
135.08057	9.1
136.08362	0.9
149.09673	0.8
150.03099	0.6
151.11205	7.2
152.11491	0.9
153.02992	2.3
177.12825	1.1
179.10776	0.9
195.06583	0.5
195.10207	9.3
195.13847	27.5
196.10513	0.7
196.14146	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01246	1.0
69.03323	2.6
69.84353	0.6
69.84763	1.1
74.94372	0.3
81.03303	0.3
83.04898	1.4
95.04913	0.3
98.19878	0.6
109.45333	0.3
123.00806	0.6
123.08022	0.4
125.09604	0.5
137.09599	0.4
141.09154	1.5
151.11176	1.1
153.09070	1.9
153.12767	5.3
154.13162	0.4
160.84146	1.2
162.83826	3.8
166.99779	0.7
169.12254	20.8
170.12587	1.6
179.10698	2.4
182.02127	1.0
183.47957	0.4
197.11766	100.0
197.80702	1.6
198.12097	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78279	0.2
59.01250	1.5
67.91605	0.2
69.03332	3.1
69.85073	1.3
71.01244	0.4
71.66823	0.2
73.64119	0.2
80.02563	0.3
80.40605	0.2
81.03356	0.4
83.04896	1.3
95.01242	0.4
95.04926	0.2
97.06460	0.6
99.08051	0.3
104.04270	0.2
116.92744	0.7
123.00814	1.1
123.08057	0.8
125.09624	0.7
125.47827	0.2
126.90374	0.4
130.99146	0.2
135.11659	0.4
137.09654	0.3
141.09116	1.3
144.00592	0.2
151.11150	1.2
153.05478	0.4
153.09145	1.8
153.12764	5.2
154.13112	0.4
160.84126	4.3
162.83832	11.8
166.99780	0.9
167.10789	0.4
169.12260	21.0
170.12590	1.9
179.10721	2.2
180.11107	0.2
182.02103	1.6
197.11771	100.0
197.80734	6.3
198.12108	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	193.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	12.0
57.03312	8.5
58.00462	3.8
59.01249	37.4
59.78477	1.9
69.03329	29.7
70.79861	5.3
70.92329	1.7
71.01256	63.5
72.01584	1.8
72.99189	9.2
73.02821	71.4
75.00780	2.2
76.81264	1.9
79.01814	1.6
81.03344	7.5
83.01266	26.9
85.02827	83.5
85.99968	8.7
86.03164	2.4
87.00753	58.4
89.02319	6.4
95.01260	16.1
97.02829	36.8
99.00755	68.3
101.02327	85.4
102.02655	3.8
111.00774	9.1
112.01568	7.0
113.02345	18.2
115.03883	3.0
115.50349	1.9
117.01826	4.5
123.00778	8.1
124.01513	3.3
125.02348	26.9
127.03892	2.1
129.01823	2.5
134.03627	6.5
134.32253	1.9
137.15121	2.2
140.01045	8.1
141.01872	24.7
142.02573	7.6
155.03438	15.4
160.10176	1.8
161.04472	100.0
162.04761	4.3
173.04356	2.7
175.06027	5.6
178.02661	6.6
193.05367	3.2
193.07124	42.9
193.08818	2.8
194.07477	2.4
197.20448	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01765	6.7
57.03326	6.8
58.00471	3.0
59.01252	31.9
67.01783	1.5
69.03333	18.2
70.79918	4.5
71.01256	53.2
72.10513	1.4
72.99186	5.6
73.02821	53.4
75.00760	2.1
81.03342	6.2
83.01250	20.0
85.02825	64.1
85.99963	9.4
86.03181	3.0
87.00751	52.4
89.02322	4.6
95.01267	11.7
97.02831	29.9
99.00764	54.4
101.02328	78.0
102.02687	2.8
111.00789	4.1
112.01556	3.7
113.02342	15.4
115.03918	2.9
117.01832	4.0
123.00781	5.4
124.01598	3.7
125.02338	28.7
127.03937	2.6
131.03456	1.6
134.03633	4.3
137.02240	1.7
139.03859	1.4
140.01039	6.3
141.01852	21.2
142.02576	3.6
149.05966	2.6
155.03439	14.7
158.47749	1.4
159.02942	3.7
161.04472	100.0
162.04805	5.4
175.06047	3.2
178.02641	3.4
191.05595	1.7
193.05287	2.2
193.07103	41.1
193.08827	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01759	5.9
57.03316	4.1
58.00458	3.9
59.01250	29.4
59.86286	1.0
69.03321	15.9
71.01260	45.8
72.01594	1.4
72.99194	7.1
73.02824	49.5
74.03163	2.0
75.00755	1.7
81.03320	6.3
83.01256	17.9
85.02824	59.9
85.99981	7.2
86.03177	2.1
87.00755	40.2
89.01165	1.7
89.02312	3.7
95.01263	9.1
97.02831	24.4
99.00760	40.3
100.01079	1.4
101.02330	68.3
102.02638	2.2
109.13667	1.0
111.00778	7.2
112.01546	3.1
113.02332	12.9
114.47810	0.9
115.03913	2.4
117.01838	3.1
120.84253	1.1
123.00776	5.0
124.01596	2.4
125.02342	23.5
127.03907	2.5
131.03371	2.2
140.01065	5.0
141.01843	21.4
142.02600	3.8
143.03358	1.9
155.03413	14.4
157.04936	1.2
159.02913	3.2
161.04472	100.0
162.04803	5.9
173.04565	1.4
173.47205	1.2
175.06100	7.2
177.19206	1.1
191.05548	3.4
193.07126	56.5
194.07486	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	193.0711
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01763	16.1
57.03329	14.0
58.00470	7.2
59.01253	57.8
64.77190	1.7
67.01761	4.3
68.99708	4.3
69.03326	33.6
71.01255	93.0
71.14272	3.9
72.01591	2.0
72.99174	11.0
73.02821	85.4
74.03152	3.2
75.00763	5.6
78.16854	1.7
79.01746	4.3
81.03341	6.1
83.01260	34.8
85.02826	100.0
85.99962	18.4
86.03169	3.6
87.00225	4.0
87.00755	72.7
89.02309	6.3
95.01272	19.6
97.02834	43.5
99.00759	79.1
101.02326	94.6
102.02689	2.8
107.01316	3.0
109.02885	1.8
111.00801	9.7
112.01542	6.7
113.02346	19.5
115.03922	4.8
117.01826	5.3
123.00767	9.3
124.01542	4.7
125.02338	31.2
127.03894	2.0
134.03632	3.1
140.01059	12.9
141.01825	19.9
142.02644	5.0
155.03387	15.0
159.02896	4.4
161.04471	81.9
162.04773	4.3
175.06084	3.9
178.02612	4.2
191.05547	2.6
193.05255	2.5
193.07080	33.4
193.08777	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	11.0
57.03325	7.6
58.00478	3.7
59.01249	50.7
68.99694	3.8
69.03337	22.3
70.43441	6.6
70.43822	6.4
71.01256	82.3
72.99185	11.5
73.02822	88.6
75.00742	3.5
81.03333	7.2
83.01263	30.9
83.32227	3.1
85.02824	87.9
85.99959	14.0
87.00757	66.1
89.02331	4.2
95.01271	23.7
97.02830	39.3
99.00761	77.3
101.02319	97.1
102.02656	5.1
108.45893	3.3
111.00755	9.5
112.01567	4.1
112.29480	3.2
113.02357	21.4
115.03859	4.6
116.26994	3.1
117.01868	5.3
119.15614	3.0
123.00796	12.2
125.02351	35.8
134.03627	8.1
140.01036	7.6
141.01805	24.6
142.02635	3.9
152.21567	3.2
155.03416	21.9
157.05124	3.7
158.66133	3.1
159.02847	4.8
161.04465	100.0
162.04836	3.4
175.05968	6.5
178.02596	4.2
191.05487	5.2
193.07111	50.8
195.40475	3.6
206.18542	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1333
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
54.33355	0.3
55.01740	0.5
57.03328	0.3
59.01248	0.7
70.52349	1.1
72.99191	0.5
84.02039	0.4
85.21627	0.3
87.59394	0.3
90.97009	0.4
91.67576	0.3
91.88355	0.3
97.06467	1.1
113.09628	0.6
123.08057	0.6
125.09615	6.6
126.09943	0.6
131.55975	0.3
132.98116	0.4
139.11198	4.2
140.11554	0.4
141.12753	100.0
141.86682	0.5
142.13087	6.8
159.04451	0.5
159.87769	0.5
160.39458	0.3
169.12254	2.9
185.11746	1.0
186.95624	0.5
187.09860	3.1
187.13324	60.3
188.13678	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	189.0762
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
56.47292	0.8
59.01254	31.4
68.70416	1.0
70.92607	0.8
71.36240	1.8
80.97697	0.9
81.03381	1.3
83.04903	12.6
85.06460	5.8
99.90843	1.1
109.06497	3.3
111.04399	14.9
118.02869	1.1
120.04440	4.4
127.07547	70.3
128.07857	4.9
129.05472	100.0
130.05797	5.9
146.02396	1.5
161.02347	1.6
164.03337	1.8
171.06534	5.2
177.11391	0.9
189.05605	1.7
189.07603	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11288	0.4
55.01764	0.6
57.03330	6.5
57.67483	0.4
59.01241	1.2
67.01767	2.6
67.89242	0.6
69.72915	2.8
77.25430	0.4
85.02826	32.3
86.03182	0.9
87.00754	46.0
88.01082	1.2
101.02312	0.6
103.03906	0.5
107.34076	0.5
111.00767	100.0
112.01104	4.3
129.01837	6.9
130.99759	1.5
152.79813	0.5
154.99832	1.1
167.96437	0.5
173.00880	1.6
176.01184	0.8
180.31274	0.4
191.01929	9.3
191.03719	0.7
191.05524	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	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10996	2.3
55.01748	10.5
57.03312	10.8
58.00449	5.0
59.01251	44.1
59.06615	2.7
68.99682	4.0
69.03325	34.3
70.92110	5.1
71.01256	73.0
72.99171	13.7
73.02821	69.2
74.03172	3.4
75.00732	2.4
79.01765	2.3
81.03331	7.3
83.01258	26.4
85.02826	84.2
85.99956	16.2
87.00751	63.6
88.01095	2.6
89.02311	5.7
95.01273	14.7
97.02837	35.9
99.00759	77.1
100.01070	3.0
101.02326	86.2
102.02637	3.2
107.01243	2.7
111.00735	8.7
112.01570	5.0
113.01185	2.5
113.02336	16.8
115.03865	2.5
117.01854	5.3
123.00753	10.2
124.01573	3.5
125.02325	29.5
134.03629	4.9
134.13329	2.3
137.02274	2.1
140.01042	6.8
141.01840	28.8
142.02638	4.1
143.62921	2.6
155.03450	14.3
159.02893	3.8
161.04465	100.0
162.04782	4.6
175.06050	5.2
178.02679	3.8
193.07097	47.9
194.07436	4.4
194.30411	2.5
204.06148	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	183.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
69.34176	2.1
75.93236	0.2
79.05411	0.7
156.05603	0.3
156.70802	0.2
168.00629	0.2
170.00848	0.2
171.47420	0.2
183.02957	0.6
183.13838	100.0
184.14175	8.9
184.15840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.55143	0.2
98.20536	0.7
102.02662	0.2
102.40272	0.2
183.00552	0.3
183.02879	0.4
183.13834	100.0
184.14169	9.8
201.14888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
56.21613	0.2
68.59587	0.2
71.28732	0.3
71.29053	0.3
74.73312	0.2
89.39055	0.2
89.39767	0.2
107.64741	0.2
107.65437	0.2
117.00275	0.2
140.01079	0.3
145.15506	0.2
152.21034	0.2
183.02921	0.7
183.13835	100.0
184.14178	9.7
184.15868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.097
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03327	4.3
59.01258	0.4
65.01314	0.4
65.99727	0.4
69.03324	0.7
70.42059	0.4
70.42454	0.4
71.04902	0.4
72.86434	0.2
77.70644	0.2
80.02560	0.3
80.36263	0.2
81.03338	0.2
83.04914	0.7
91.02886	0.2
95.04909	0.8
97.06471	14.6
98.06814	0.5
119.06004	0.2
123.08056	6.6
124.08374	0.5
125.09617	100.0
126.09954	6.8
133.03960	0.5
134.03471	0.2
143.10686	2.3
144.11032	0.2
147.04301	0.2
149.32452	0.2
160.05116	0.9
169.08618	2.0
187.06281	1.0
187.09686	31.6
188.10008	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	178.9499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
59.01511	0.1
59.78860	0.1
61.51289	0.1
63.77841	0.1
68.80121	0.1
69.03326	0.2
71.01261	0.8
71.13971	0.3
72.99154	0.1
73.02833	0.4
74.24719	0.1
79.95617	0.2
83.01256	0.3
83.66595	0.1
85.02840	0.8
87.00756	3.7
89.02290	0.1
94.02878	0.1
95.01267	0.1
95.95084	0.1
96.95903	0.1
97.02856	0.3
99.00742	1.0
101.02337	0.4
102.10854	0.1
109.02878	0.1
113.02296	0.2
117.01824	0.7
119.93615	0.4
125.02331	0.5
134.95979	2.1
135.04437	0.4
135.96063	0.2
136.93910	100.0
137.93980	10.4
137.95538	0.2
138.94341	0.2
141.01840	0.4
151.07498	0.2
151.92628	14.9
152.92694	1.7
154.94972	1.4
159.02953	0.2
161.04485	2.2
164.01015	0.3
177.03937	0.1
178.94986	36.6
179.05533	1.9
179.07065	0.4
179.10704	0.2
179.95079	4.5
187.44284	0.1
196.94817	0.1
196.96082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
53.56900	0.8
55.01751	1.4
57.03320	2.5
58.00470	1.0
59.01252	28.8
65.99726	1.1
69.03329	6.7
69.34419	7.2
71.01257	33.8
71.04900	1.8
72.99184	8.7
73.02819	15.3
75.00749	67.1
76.01078	1.0
79.01778	1.7
81.03330	4.4
83.01247	5.4
85.02824	22.0
87.00753	100.0
88.01099	1.8
89.02323	10.0
95.01267	3.1
97.02839	9.5
99.00758	27.7
99.04372	2.6
101.02320	10.4
107.01279	1.1
111.00753	2.0
113.02335	5.5
117.01820	18.1
125.02327	15.1
129.01842	2.4
131.03307	0.9
135.04387	1.6
140.69069	0.9
141.01833	8.5
143.03389	7.7
147.02898	1.2
159.02892	4.7
161.00859	2.1
161.04460	57.9
162.04813	3.6
177.03983	1.3
179.05536	79.1
180.05882	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	174.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.3
58.02851	35.8
59.01257	13.8
60.01571	2.0
68.02096	1.3
69.03331	3.1
70.87656	1.2
70.87984	1.7
71.01257	15.5
72.01603	1.9
72.99180	3.1
73.02835	1.9
74.29755	0.9
75.00729	1.8
83.01246	1.3
84.01996	0.9
85.02821	4.7
86.05996	15.4
87.00759	14.1
93.03362	1.9
94.03687	6.4
96.99171	1.4
97.02839	1.4
99.00693	1.5
100.01060	1.5
100.07565	48.5
114.01836	3.9
114.05497	2.9
115.00268	12.6
115.03890	2.9
124.98708	2.7
128.07072	100.0
129.07443	5.5
132.05612	1.8
132.06552	17.4
142.59254	1.0
144.00064	3.9
156.06554	1.7
174.07625	66.6
175.03867	2.1
175.06216	1.3
175.07945	5.3
177.64194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0605
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
50.48138	0.9
57.03310	1.8
59.01241	9.2
65.01318	1.1
65.99711	1.0
67.57600	1.0
71.01245	3.2
71.11697	1.6
71.12005	1.4
72.99171	1.2
73.02822	1.9
76.24321	0.9
85.02838	1.1
85.06464	41.1
85.37755	0.9
86.06804	2.2
87.00753	8.4
87.04388	2.3
93.03355	1.5
113.05978	36.0
114.06280	2.8
115.00287	5.5
115.03899	100.0
116.04224	5.0
117.84361	1.0
131.07031	8.3
144.53214	1.1
147.04402	1.5
157.04980	8.2
175.02495	2.2
175.03926	3.4
175.06067	31.1
175.07523	1.4
176.00916	1.2
176.03354	2.0
176.06328	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	174.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.6
57.03352	3.4
58.02843	3.1
59.01258	35.8
59.21164	2.5
65.01323	21.3
65.99712	9.1
66.00845	3.1
67.01762	6.7
68.01280	4.4
68.02094	5.1
69.75552	18.0
71.01253	47.2
72.99180	11.1
73.02813	4.1
85.02842	4.6
86.02389	2.9
87.00757	100.0
91.02898	9.7
92.02434	3.5
93.03330	6.2
94.03667	24.2
95.02436	2.7
105.04482	6.2
106.03999	8.7
108.01929	4.6
112.98677	3.9
114.01865	8.0
115.00262	92.1
115.03934	6.0
117.04553	3.1
118.04005	2.8
119.02448	3.9
121.03983	6.0
127.00271	5.3
130.04015	4.1
131.03526	3.3
132.02013	3.1
132.05571	8.5
133.03975	15.5
133.05106	10.2
134.03491	13.1
139.11154	4.6
144.00076	7.8
145.05118	6.3
146.02368	3.9
146.03490	5.8
146.06046	2.6
147.01872	5.9
147.04448	2.6
147.05528	5.9
147.06671	4.7
148.05042	13.6
154.18683	2.6
157.05055	3.5
174.01656	20.0
174.02994	4.5
174.06630	7.5
175.02405	21.7
175.03915	7.8
175.06203	16.5
175.07494	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	174.0161
Annotation	4-Deoxy-L-threo-5-hexosulose uronate
Peak:m/z	Relative Intensity
59.01250	31.9
63.54295	2.8
65.01321	15.2
65.99706	9.8
67.01739	6.2
68.01293	3.2
68.02094	3.8
69.41031	29.4
71.01257	47.7
72.99169	11.9
80.04942	3.6
83.01241	6.6
83.61132	2.9
85.02836	6.3
85.06429	4.6
87.00753	100.0
91.02895	3.4
93.03322	8.7
94.03677	27.3
100.45235	2.7
102.05483	6.9
105.04478	4.7
106.03988	4.6
107.02385	2.6
109.43707	3.3
112.04752	3.2
113.05941	2.6
114.01827	7.9
115.00256	88.1
115.03854	5.9
119.02392	4.2
120.04449	2.9
121.04018	4.4
130.03990	3.1
130.06404	3.1
130.50284	2.8
131.03525	5.3
132.01984	4.5
132.05586	3.6
133.03992	6.6
133.05046	6.2
134.03481	6.3
145.05052	6.4
147.01953	4.5
147.03030	4.1
147.04416	6.5
147.05487	3.9
148.05045	9.4
157.05098	4.4
160.01566	3.4
174.01706	24.1
174.03009	4.9
174.05394	7.0
174.06688	4.1
175.02391	19.7
175.03900	8.8
175.06049	12.5
175.07564	6.9
178.60503	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	173.0084
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00190	1.8
55.01763	4.5
57.03330	5.2
58.02852	1.7
59.01255	21.0
60.99175	2.3
67.01765	13.6
67.73837	0.8
68.99693	5.0
69.03333	3.1
70.25301	0.8
71.01256	100.0
71.05016	1.9
72.01597	2.3
72.99179	3.4
73.02818	6.5
74.02349	1.0
75.00725	0.8
80.99700	1.3
81.03332	1.5
83.01253	10.3
83.04893	2.3
85.02830	7.2
86.02336	1.5
87.00741	4.2
88.03912	1.1
93.03340	44.9
94.03667	2.2
95.01295	1.0
96.99207	6.5
98.34451	0.8
99.00756	30.7
99.04329	1.0
100.01071	1.0
100.07559	2.0
101.02333	0.9
109.06532	0.9
109.29030	0.8
111.00766	46.4
111.04396	6.6
111.08049	2.7
112.01069	1.6
112.98685	21.7
113.02325	1.6
113.05964	2.6
114.01855	3.2
115.00252	2.8
123.00773	1.3
124.98705	30.3
125.99049	1.7
128.07068	2.3
129.01830	2.7
131.08165	2.7
137.02362	1.1
140.01022	1.0
142.99768	44.1
144.00082	2.1
154.99733	1.4
173.00847	9.0
173.02223	1.6
173.04523	4.4
173.08092	5.0
173.09396	0.9
174.07544	0.9
175.94121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0811
Annotation	1,4-Diacetoxybutane
Peak:m/z	Relative Intensity
50.51453	0.8
50.75791	0.7
55.01759	1.5
55.28743	0.6
55.63519	0.6
57.03323	3.6
58.02855	5.3
59.01252	100.0
60.01596	2.2
60.99186	2.3
65.03842	0.7
67.01762	19.2
67.52892	0.7
68.99689	1.2
69.03324	5.7
71.01255	27.9
71.06079	1.2
72.04414	0.8
72.99191	3.1
73.02817	4.2
75.00760	1.1
81.03355	1.5
83.01255	3.1
83.04897	3.3
84.02055	0.7
85.02840	2.7
85.99973	1.1
86.05984	1.5
87.00760	2.7
93.03338	63.2
94.03679	3.4
95.01257	2.0
95.04903	1.2
96.99190	1.0
99.00760	9.2
100.07549	6.4
101.02394	0.7
109.06481	2.5
111.00774	6.2
111.04408	9.8
111.08041	7.0
112.04790	0.7
112.98685	3.3
113.02361	1.3
113.05965	13.3
114.01875	2.3
115.00259	3.0
115.03911	0.6
123.00774	1.2
124.98707	6.8
128.07082	11.3
129.01833	0.9
131.08159	10.0
132.06557	1.2
136.38576	0.7
142.99777	12.2
146.02441	0.8
150.93126	0.7
155.07074	1.3
157.95120	0.7
173.00835	2.0
173.04497	5.0
173.08127	35.7
173.11589	1.0
174.07677	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	173.1176
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.05442	0.5
56.45043	0.5
57.03326	1.3
59.01247	2.6
60.99178	0.7
65.01321	2.4
65.99711	1.0
67.01762	8.9
69.03325	1.5
69.75006	2.2
69.75441	1.2
71.01250	2.2
73.02825	1.3
81.03318	0.6
83.04891	1.1
89.01323	0.8
90.00805	0.5
91.02869	1.1
93.03336	30.0
94.03670	1.7
95.01266	0.5
98.02343	1.3
99.00751	0.9
105.04499	0.7
106.03988	0.6
111.00764	0.8
111.04401	3.2
111.08040	1.4
112.07520	0.4
114.01850	0.8
119.02397	1.9
120.01860	0.6
125.09603	0.6
127.11191	14.1
128.11542	1.3
129.64876	0.5
130.04033	0.5
131.08099	0.5
132.05579	0.7
137.02391	0.6
145.02856	0.7
146.03529	2.2
146.05876	0.5
155.10728	3.0
171.10216	1.5
171.11714	0.4
173.02324	0.8
173.04601	4.0
173.11752	100.0
174.06618	0.7
174.12105	7.0
181.62833	0.5
183.80418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
59.01255	0.7
59.28814	0.4
69.03331	0.4
69.24245	3.3
69.24652	0.8
71.01269	0.5
75.56538	0.3
76.55423	0.3
83.04901	0.5
97.06493	0.3
99.00784	0.5
99.08030	0.7
99.92509	0.4
100.07501	0.3
101.27225	0.4
123.08026	0.8
125.09619	3.4
127.07542	1.6
127.11196	7.6
128.11543	0.6
130.08572	0.6
141.22177	0.4
144.04439	0.8
153.09146	1.8
155.59056	0.3
171.01909	3.5
171.10188	100.0
171.13617	3.7
172.02162	0.5
172.05977	0.4
172.10542	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	171.1018
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.35251	0.5
56.58420	0.5
57.03304	1.1
59.01254	0.9
65.01315	3.3
67.28465	0.5
68.99681	0.6
72.99187	0.7
83.01275	0.6
83.04901	0.7
89.01314	2.7
97.41126	0.5
99.08049	1.2
105.04449	1.7
106.04003	0.6
115.91956	0.6
123.08088	0.9
125.09628	4.1
127.07558	1.6
127.11204	8.3
128.11505	0.6
130.04004	2.4
130.08632	1.0
144.01982	1.0
144.04503	1.1
144.05569	2.5
153.09120	2.1
171.01897	2.3
171.06694	3.6
171.10184	100.0
171.13629	3.1
172.05002	0.7
172.06238	1.2
172.10556	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	172.0972
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
54.81674	0.6
56.28869	0.7
57.03314	2.5
57.53693	0.7
58.02835	3.2
59.01245	5.0
59.61648	0.8
60.99162	2.7
62.12704	0.8
65.01311	2.5
65.99706	1.4
66.09402	0.8
67.01762	20.7
69.03323	5.4
69.47588	6.9
71.01252	7.1
72.94564	0.9
73.02801	2.2
81.03320	2.6
83.04898	2.6
85.02836	0.9
89.01344	1.0
93.03337	77.8
95.01289	1.2
99.00756	2.6
111.00772	2.1
111.04402	6.6
111.08066	5.9
119.02384	2.0
125.07881	0.8
128.10696	4.4
129.01813	1.3
130.03963	1.5
130.08633	100.0
131.03511	1.2
131.08998	5.7
137.02324	1.4
142.99757	0.9
144.04434	2.8
145.02843	1.8
145.03931	1.8
145.05061	0.9
146.03487	3.4
155.03459	1.7
172.06235	1.6
172.09624	9.2
173.00697	0.7
173.02216	0.8
173.04515	7.9
173.05878	1.3
173.08110	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.56505	0.2
53.00185	0.9
55.01756	9.2
57.03325	7.4
58.00471	0.6
58.02848	32.5
59.01249	37.1
59.03174	0.3
60.01571	0.3
60.99166	0.6
62.24037	0.2
67.01764	8.0
68.99689	7.3
69.03317	1.7
69.90698	1.6
70.02853	0.6
71.01252	100.0
71.04877	0.5
72.01596	2.6
72.04411	2.1
72.99181	4.9
73.02818	5.7
74.02344	1.2
75.00753	0.5
80.99689	1.9
81.03329	0.6
83.01257	12.1
83.04909	1.0
84.01574	0.3
84.02054	0.3
84.04405	0.7
84.99178	0.3
85.02822	26.6
86.02342	0.8
86.03135	0.7
86.05986	10.8
87.00753	4.0
87.05518	2.0
88.03910	4.4
93.03335	9.2
94.03708	0.3
95.01259	0.8
95.04884	0.4
96.99191	6.3
97.02815	1.6
98.06017	0.5
99.00754	33.5
99.04377	0.7
100.01081	1.1
100.07558	36.3
101.02329	1.0
101.07881	1.1
102.01815	0.4
102.05441	0.4
109.02863	0.3
109.06485	0.8
111.00763	68.0
111.04389	3.7
111.08030	2.4
111.92666	0.3
112.01087	2.6
112.03916	0.5
112.98688	15.7
113.02322	0.6
113.05966	4.0
113.99042	0.5
114.01862	3.8
114.05488	1.2
115.00260	3.4
124.98696	33.2
125.98986	1.6
126.05505	0.6
128.07065	58.7
129.01833	5.9
129.07372	0.5
129.10214	0.9
130.04953	1.1
131.08160	6.0
132.05618	0.6
132.06555	9.6
137.02333	0.3
140.98184	0.7
142.99762	44.5
144.00116	2.5
145.01366	0.4
154.99768	3.6
155.03395	0.8
155.07076	0.4
156.06586	1.3
172.06029	0.8
173.00833	9.5
173.04572	1.5
173.08075	9.6
173.09219	0.7
174.01337	0.4
174.07632	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
58.02851	100.0
59.02554	0.4
59.03188	2.0
65.00204	0.3
68.99697	0.3
69.03325	1.2
70.02862	0.5
71.01260	0.2
71.57607	0.3
81.03352	0.5
83.01279	0.3
83.04910	0.4
87.00771	0.2
95.01313	0.3
95.04925	0.2
97.02851	1.4
97.06495	0.2
106.92101	0.2
107.01291	0.4
107.04948	0.4
109.02396	0.3
123.00803	0.3
124.01581	0.5
125.02341	16.7
125.06006	0.4
125.09616	0.9
125.99474	0.3
126.01849	0.2
126.90254	0.2
132.86722	0.6
135.59982	0.2
141.01878	0.1
151.00305	0.3
151.11188	0.4
152.00999	0.2
153.00458	0.3
153.01523	0.4
159.95967	0.2
168.03908	0.2
168.06607	0.3
168.10242	0.5
168.13831	5.0
169.01346	4.0
169.05135	0.3
169.08687	0.4
169.12283	0.7
169.14261	0.7
175.06259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10717	0.7
52.08348	0.7
59.01252	7.6
65.01308	5.5
65.99723	1.2
69.75755	5.3
71.01259	2.4
72.99186	1.5
81.03336	1.1
81.04448	1.6
83.04889	1.5
86.02312	0.8
89.01340	3.1
105.04441	2.4
106.03988	1.7
109.02791	1.2
109.06474	11.6
110.06814	0.8
115.91979	1.5
116.02399	1.1
117.04458	1.0
125.09631	1.3
127.07542	100.0
127.11166	3.3
128.07867	7.2
130.04008	2.9
130.08633	16.1
143.04764	1.0
144.01920	1.8
144.04523	1.4
144.05568	3.2
145.03963	1.1
145.05048	1.6
153.09074	1.1
171.01822	5.3
171.04285	1.4
171.06694	10.1
171.10178	35.1
171.13823	6.1
172.03879	1.6
172.05040	1.9
172.06253	1.2
172.10730	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	165.1277
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03328	10.4
59.01241	2.5
65.00186	1.3
65.03838	0.9
65.99744	0.8
66.03363	1.3
67.01752	2.3
69.03323	2.1
70.86961	1.6
71.01249	3.3
71.04868	1.6
72.99180	2.7
73.02782	0.6
75.00753	1.0
77.03850	6.0
80.02544	4.0
80.04897	0.8
81.03324	9.1
82.03978	0.8
83.04111	0.8
83.04896	17.3
84.05240	0.7
85.02794	0.7
87.00757	1.7
91.01736	1.0
92.99711	3.1
93.03330	5.8
95.01254	1.1
95.04907	12.1
96.05196	0.7
97.06467	22.4
101.02313	0.9
103.03893	0.7
106.04104	0.7
106.62590	0.6
107.04924	2.3
108.02065	1.6
108.04406	0.9
109.02855	3.0
109.06471	4.4
111.07281	1.6
111.08043	23.8
112.08353	1.4
115.69339	0.6
119.04898	3.2
119.84331	0.7
120.69053	0.6
121.02846	100.0
121.06487	2.6
121.10179	0.7
122.02374	1.5
122.03063	5.5
122.05994	0.9
123.00803	2.0
123.04420	1.6
123.05473	0.6
123.08008	1.1
124.03937	1.6
124.05042	0.8
135.04445	1.4
136.01651	0.8
136.05267	0.9
137.02338	9.7
137.05974	1.0
137.09659	1.5
138.05527	2.0
139.48927	0.7
147.04393	6.4
147.11719	2.1
149.00885	9.7
149.09612	0.9
150.00900	1.0
150.03152	6.1
151.00258	3.6
163.11206	6.8
164.11554	0.9
164.83551	5.1
164.89531	2.5
164.98399	0.7
165.01852	10.4
165.04025	1.9
165.05495	5.8
165.09093	4.1
165.12764	41.8
166.02386	0.9
166.05014	5.6
166.13062	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	167.0706
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.59274	2.9
50.61044	2.6
57.03315	4.0
58.88724	2.6
59.01257	4.1
65.01314	5.2
65.99725	5.4
67.01774	6.2
68.99675	5.6
69.03330	47.6
69.32125	28.5
71.01254	4.9
71.04877	3.5
72.99184	2.9
79.05433	4.9
80.02549	8.5
81.03352	6.8
82.02864	7.4
83.01257	6.8
83.02369	6.2
83.04912	20.3
84.02046	8.0
85.02837	8.6
91.01769	4.3
91.05441	4.2
93.03333	29.3
95.01263	11.4
95.04918	20.0
97.02844	14.5
97.03926	2.9
97.06478	11.2
98.02390	4.0
98.03611	9.9
98.20488	5.5
102.75753	2.6
105.06966	9.7
106.04124	4.9
107.04921	63.2
108.02064	38.8
108.04482	4.8
108.05179	4.6
109.02887	3.3
109.06476	26.8
110.03590	13.7
111.00758	4.3
111.04417	3.4
111.08047	77.7
112.01584	3.7
121.02841	7.7
121.06490	37.8
123.00755	8.4
123.04425	36.8
123.05373	4.4
123.05545	3.7
123.08028	14.4
124.01582	38.6
124.03927	2.8
124.04936	3.8
124.07584	5.1
125.02433	3.7
125.03429	3.6
131.04909	3.4
134.03593	5.7
135.04427	11.8
137.02364	16.1
137.05997	7.4
137.99359	2.7
138.03094	7.7
139.03957	4.6
139.07558	100.0
140.02438	6.1
140.07878	8.2
149.02327	4.2
149.05997	80.6
149.07191	4.8
150.06322	6.0
151.99907	5.0
152.01065	59.6
152.04692	12.9
153.05423	2.9
167.03404	19.6
167.04683	3.5
167.07072	82.3
168.02917	5.5
168.07420	7.6
180.41367	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02272	0.2
55.16354	0.1
57.03330	0.1
58.02855	0.3
59.01258	0.3
64.01800	0.4
65.00191	0.3
65.01335	0.2
65.99730	0.3
66.03377	0.8
68.01295	0.2
68.99664	0.2
69.03327	1.0
69.40930	1.0
69.41335	0.3
79.01736	0.2
81.03329	0.2
81.04462	0.1
82.02863	0.3
83.02398	0.3
85.03957	0.3
86.02325	0.2
89.01311	0.2
95.01266	5.2
96.01572	0.3
97.02835	0.8
97.03949	0.2
97.06514	0.2
98.02375	0.5
107.01308	0.2
108.00809	0.4
108.04475	0.1
109.01569	0.5
109.02306	0.2
110.02360	1.0
115.02878	0.2
123.00777	21.7
124.01048	0.9
125.02348	2.8
125.03424	0.2
125.05955	0.3
125.09631	0.5
125.99475	0.4
126.01881	0.3
127.05093	0.2
129.03197	0.2
141.01869	0.3
141.02876	0.2
142.04024	0.6
151.00323	0.3
153.00592	100.0
153.99075	0.2
154.00957	4.8
168.02943	10.2
168.10257	0.2
169.01385	1.1
169.03365	0.5
169.05077	1.0
169.06259	0.2
169.08632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
67.19048	0.2
67.77956	0.2
69.48431	0.2
69.91465	0.2
70.33557	1.0
71.01241	0.3
72.00779	0.6
72.99152	0.2
81.75699	0.2
90.48800	0.2
91.01771	1.3
91.05421	0.4
93.03343	2.3
101.02328	0.2
113.00797	0.2
117.03288	0.2
119.04917	100.0
120.04539	0.3
120.05252	7.1
121.02872	0.3
125.79486	0.2
135.00836	0.4
135.04402	0.5
136.03915	0.3
136.04924	0.2
147.04431	1.6
163.00270	1.7
163.03912	4.4
163.05157	0.3
164.04385	0.3
164.07063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.54863	0.1
54.20318	0.1
54.89922	0.1
58.57743	0.2
65.01308	0.2
71.45510	0.1
72.00773	0.3
72.99169	0.1
73.02826	0.1
82.03994	0.2
83.02319	0.1
91.01775	0.5
91.05435	0.7
92.24934	0.1
93.03338	1.5
98.19812	0.4
104.02554	0.1
106.04019	0.2
117.03371	0.2
119.04918	100.0
120.04485	0.3
120.05245	6.4
121.02824	0.1
121.03994	0.2
121.05056	0.2
130.19879	0.1
134.03580	0.2
135.00760	0.2
135.04443	0.4
136.04044	0.1
136.05074	0.2
137.03458	0.3
147.04413	0.5
154.70598	0.1
163.00288	1.0
163.02527	0.2
163.03922	4.9
163.06036	0.2
163.07518	0.2
164.04390	0.3
164.07132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
62.00167	0.1
63.55454	0.1
65.01315	0.3
65.99727	0.3
67.02902	0.1
68.99680	0.2
70.88573	0.2
70.88906	0.1
74.39931	0.1
74.96914	0.1
82.03987	0.5
83.02396	0.2
83.95975	0.1
91.01787	0.4
91.05419	0.3
92.04936	0.3
93.03345	1.5
101.02384	0.2
106.03940	0.1
117.03380	0.1
119.04921	100.0
120.04440	0.3
120.05246	6.4
121.02826	0.1
121.03962	0.4
121.05072	0.5
122.03509	0.2
135.00870	0.2
135.04402	0.2
136.05037	0.2
137.03452	0.3
162.89291	0.2
163.00255	0.8
163.02513	0.2
163.03923	5.0
163.06104	0.2
164.04437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30218	0.8
50.57224	0.8
52.93517	0.9
53.94135	0.8
57.31799	1.1
72.57256	1.0
90.23138	0.9
91.01759	2.5
93.03328	1.0
103.58835	1.0
119.01243	1.1
119.04916	18.9
120.05273	2.0
147.07980	1.4
163.00284	3.3
163.03900	1.5
163.11197	100.0
164.11536	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	163.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30218	0.8
50.57224	0.8
52.93517	0.9
53.94135	0.8
57.31799	1.1
72.57256	1.0
90.23138	0.9
91.01759	2.5
93.03328	1.0
103.58835	1.0
119.01243	1.1
119.04916	18.9
120.05273	2.0
147.07980	1.4
163.00284	3.3
163.03900	1.5
163.11197	100.0
164.11536	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	164.0709
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.23626	0.4
63.05609	0.3
70.89774	0.6
70.90104	0.5
72.00780	44.2
73.01101	0.8
75.00735	0.7
83.13427	0.3
89.02306	0.4
91.05422	1.4
92.04965	0.3
93.03329	0.5
107.03150	0.3
109.02893	0.5
118.06530	0.7
119.04906	1.5
120.04463	0.8
120.05276	1.2
120.76100	0.3
121.02839	2.3
135.04468	0.5
137.02325	0.7
143.65079	0.4
146.06076	0.6
147.04424	100.0
148.04753	8.8
148.05898	0.7
149.00888	0.7
150.03114	1.4
164.07086	37.8
165.05496	0.4
165.07440	2.7
165.08800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0397
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01765	3.3
56.65751	0.5
57.03329	1.3
59.01254	6.3
62.86291	0.4
68.99717	0.5
71.01265	5.6
71.31976	1.0
72.99184	6.0
73.02808	0.6
75.00748	100.0
76.01090	1.6
85.02832	1.3
87.00756	28.5
88.01057	0.5
89.02320	2.9
95.27165	0.6
99.00748	2.7
101.02349	2.2
105.01820	21.4
114.89999	0.4
117.01829	1.6
129.01843	11.2
147.02905	4.6
164.83624	0.7
165.03966	41.3
166.04283	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	165.055
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
58.02864	0.6
59.01266	1.0
65.00235	0.4
65.01311	2.1
65.99744	1.5
66.01667	0.5
66.03374	0.7
67.01773	0.8
67.02903	0.8
68.01318	1.0
71.01271	1.2
72.99183	38.8
73.99552	0.9
75.00747	5.0
77.03860	1.4
79.02930	0.4
80.04962	0.5
81.03350	0.4
81.04476	1.2
82.02846	0.8
82.03975	1.9
83.02414	0.6
87.00764	0.6
91.05416	1.5
92.99702	0.4
93.03345	2.9
94.02890	1.1
95.01295	0.7
95.02373	2.4
95.04938	0.5
96.00845	0.6
96.05553	0.5
97.03972	2.9
100.63206	0.4
101.03857	2.3
102.04198	0.4
107.02384	0.4
107.60256	0.4
108.02065	0.9
108.04478	0.5
109.02847	4.0
109.03985	1.4
110.03491	0.6
110.94709	0.4
111.01848	0.5
117.03371	0.9
119.04922	43.7
120.01933	0.4
120.05267	2.7
121.02846	18.8
121.06499	0.7
122.02446	0.5
122.03525	2.1
122.06023	0.4
123.00769	1.4
123.01868	0.8
123.04435	0.7
123.05524	1.3
123.06640	0.4
124.04082	0.5
124.05075	2.3
125.03500	0.7
135.04404	0.8
136.01581	0.4
136.05124	0.4
137.02350	5.0
137.03348	0.4
138.01924	0.7
138.03041	1.3
138.05548	0.7
139.05054	0.8
147.04424	100.0
148.04773	8.6
149.00853	2.1
149.05989	0.4
149.10855	0.3
150.03140	5.2
151.00275	2.5
164.89659	0.5
165.01836	3.6
165.04082	1.3
165.05478	24.9
165.09097	2.0
166.02487	0.7
166.06136	2.1
176.55382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
57.03328	6.7
57.24327	0.4
58.02851	100.0
59.01251	11.7
59.03189	1.7
69.03337	2.3
70.02853	1.9
71.01256	10.6
71.04900	2.5
72.04430	2.7
72.99194	1.5
73.02818	6.1
74.02348	14.9
81.03345	0.8
83.01251	2.9
84.04414	3.5
85.02829	10.2
86.05991	2.1
87.00754	6.7
88.03913	12.6
95.01275	0.6
97.02834	3.0
98.02367	4.9
98.05983	2.7
98.20534	1.9
99.00761	3.3
99.04398	7.2
100.03940	1.3
101.02321	10.9
112.03941	1.2
113.02341	1.0
114.05497	10.8
115.03907	1.3
115.05856	0.6
116.03437	2.2
117.05489	2.1
118.04993	16.9
125.02314	1.6
130.05016	2.0
131.03331	0.7
142.04999	5.1
143.03394	2.5
158.04565	0.8
160.04004	1.2
160.06067	24.7
160.07423	1.3
161.04477	7.8
161.06377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	11.9
55.54758	1.9
57.03325	40.2
58.00466	6.0
58.02845	6.8
58.50281	1.9
59.01251	88.7
59.03197	4.2
69.03332	21.7
69.53791	2.7
69.54202	12.1
71.01255	90.7
71.04890	25.7
72.01581	2.2
72.99182	9.8
73.02820	63.4
75.00771	2.4
78.34572	1.7
79.01793	2.6
81.03336	7.0
83.01256	32.8
84.02048	2.4
85.02824	90.0
86.03136	4.1
87.00751	55.8
89.02334	6.4
89.04744	1.9
95.01274	6.7
97.02825	28.7
98.03127	2.3
99.00771	21.9
99.04393	49.9
101.02324	100.0
102.02682	3.2
113.02341	7.4
115.03896	6.7
117.05444	8.0
117.88618	1.8
118.02848	2.6
125.02355	19.3
131.03406	7.6
133.02881	2.6
133.03864	1.9
133.04988	1.8
143.03374	15.4
161.02342	8.0
161.04474	89.0
162.01880	2.4
162.04836	4.1
177.38904	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	155.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75005	1.0
55.01750	3.5
57.03340	1.5
58.02844	2.0
59.01252	1.9
65.01311	2.2
70.42272	2.3
70.42661	3.4
72.99142	1.4
83.01258	3.4
83.02379	1.0
83.04911	2.1
84.00816	1.6
84.04424	3.2
85.02808	1.1
85.49536	1.0
86.02290	1.4
90.47633	1.0
93.03352	2.6
96.00790	3.0
96.58182	1.1
98.02308	1.1
98.20490	1.3
101.01321	1.6
109.02837	1.5
111.00768	1.3
111.03316	1.2
111.04414	1.6
111.08058	1.4
112.01513	1.0
112.03946	1.3
113.03480	1.9
114.05527	3.0
115.02889	1.4
123.00876	1.5
127.00300	2.1
128.02499	1.5
129.04501	3.2
140.01076	2.8
154.99861	1.5
155.01227	1.1
155.02496	1.9
155.03534	13.3
155.04681	2.0
155.07094	2.3
155.10692	100.0
156.04158	1.4
156.05585	7.9
156.11052	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	159.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	6.9
57.03313	11.1
58.02834	8.1
59.01250	25.1
65.36358	2.6
67.01751	2.7
67.43690	3.3
68.99691	22.0
69.03319	10.8
70.02826	2.8
71.01255	70.1
71.56452	5.1
72.27074	2.9
72.99182	18.4
73.02821	63.5
74.02330	4.1
74.03111	2.4
74.44545	2.4
75.00758	15.3
83.01278	13.9
85.02823	37.2
87.00754	32.8
88.03902	8.5
89.02300	4.1
95.01236	9.1
96.99182	6.6
97.02840	7.9
97.06435	5.1
99.00754	100.0
100.01044	3.1
101.02328	24.6
111.00764	43.9
113.02332	17.4
115.00247	3.6
118.04042	2.6
123.00766	3.2
129.01837	22.4
131.03349	3.6
140.98228	3.2
141.01814	5.0
159.02910	30.9
159.07703	4.9
159.10153	4.5
160.06035	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	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91062	0.9
59.01250	16.4
69.03318	3.2
70.74181	2.8
71.01257	38.3
72.99185	19.4
73.02814	19.9
75.00747	100.0
76.01085	2.6
78.81737	1.0
78.96693	0.9
79.93869	1.0
80.41111	0.9
85.02818	2.6
87.00748	12.3
89.02319	89.6
90.02648	3.3
93.03315	1.6
101.02360	1.3
103.03902	5.3
121.02810	3.9
131.03416	8.8
149.02428	2.0
149.04472	32.8
150.01880	1.0
150.04745	1.8
158.20163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
58.02831	2.4
59.01223	0.8
65.00194	0.7
65.01315	1.3
65.03823	1.8
65.99711	1.7
66.03354	1.5
67.01756	1.7
67.02878	1.5
67.84917	0.7
68.01290	1.6
68.99687	3.4
69.03322	8.9
71.58755	1.1
72.04419	1.1
72.99168	1.0
79.05401	3.4
80.02547	16.6
81.03333	6.8
81.04462	1.1
82.02853	4.2
82.03988	1.1
83.01264	1.2
83.02371	2.0
84.00785	0.9
84.04409	1.2
85.02839	0.8
91.05411	6.5
93.03355	4.3
95.01267	1.5
95.02399	1.6
95.04901	4.7
96.99181	1.0
97.02839	3.2
97.06468	9.9
98.02332	1.3
107.01268	1.0
107.04906	14.9
108.02054	10.7
109.02836	100.0
109.06474	12.4
109.99985	8.9
110.02409	1.3
110.03181	3.4
110.06837	1.1
111.00773	1.0
111.01903	2.8
111.05547	1.6
112.00307	0.8
112.01532	1.0
112.03929	1.5
112.05059	1.6
115.46998	0.9
123.00779	3.1
123.04449	0.9
124.01563	2.2
124.03970	2.2
125.02361	6.9
125.03201	1.1
125.05979	15.8
135.04451	4.8
136.03915	2.0
137.99496	9.4
138.02087	0.9
138.03123	9.4
144.00490	1.7
151.00288	1.6
153.01848	25.2
153.02905	1.3
153.04123	1.0
153.05486	12.5
153.06621	0.9
153.09151	2.2
154.02362	1.7
154.03932	1.2
154.05023	2.3
154.06065	1.5
161.55202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73231	1.1
55.01756	5.1
57.03317	4.0
58.00480	7.2
58.02845	4.2
59.01253	68.1
65.01316	3.6
67.01762	3.7
68.99691	1.5
69.03323	4.2
69.67419	3.5
69.67840	5.9
70.02842	1.4
71.01252	17.8
71.04887	5.2
72.01610	1.1
72.02046	5.8
72.99190	10.1
73.02808	2.8
74.00199	1.5
74.02336	2.7
75.00770	1.4
79.05402	2.1
80.02556	3.5
81.03314	3.4
81.06948	2.0
82.02877	1.5
83.01271	5.5
83.02390	1.8
83.04903	18.2
84.00764	2.0
84.02044	13.5
84.04446	6.5
85.02828	6.2
85.06464	2.4
85.99972	17.9
86.02326	1.8
89.01328	1.4
93.03338	6.0
95.01264	4.0
95.02425	1.8
95.04903	55.3
95.13362	1.4
96.00800	9.2
96.05218	2.5
97.02805	2.0
97.03995	1.5
97.06480	19.0
97.99889	1.5
98.02364	1.9
98.03542	1.6
99.00780	1.8
99.08037	46.3
100.01525	2.7
100.03907	1.5
100.08340	2.0
101.01334	2.9
102.00866	2.1
107.04916	100.0
108.05212	7.4
109.02850	1.7
109.06503	8.7
109.99992	4.0
111.00787	3.2
111.04408	4.6
111.08045	6.0
112.01557	3.7
112.03916	3.5
113.02324	2.4
113.03469	2.8
113.05973	20.2
114.05501	6.2
114.06304	2.3
119.04949	2.1
123.00791	1.9
123.04388	3.9
125.03495	1.7
125.05977	30.6
126.06300	1.5
127.00231	3.6
127.07556	22.1
128.02444	2.4
128.03444	1.8
129.04483	5.0
137.02351	2.6
137.05968	5.7
140.01065	7.3
148.79993	1.3
150.74515	1.2
152.06139	1.2
154.99760	5.1
155.02560	2.2
155.03540	20.6
155.04558	1.4
155.07050	18.2
155.10670	3.4
156.02960	1.4
156.05557	16.0
156.06602	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	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.9
57.03308	0.8
58.36599	0.5
64.01785	1.8
65.01324	4.3
65.99706	2.5
71.01256	1.0
72.99176	0.9
74.02350	0.7
77.01325	3.3
81.04468	1.1
83.04913	1.8
87.00766	0.8
89.01313	0.5
90.00839	0.6
91.02898	1.9
92.01313	0.4
92.02460	0.4
92.48344	0.4
94.55618	0.4
97.06477	3.4
98.19810	0.9
99.08035	100.0
100.03918	0.5
100.08361	6.6
101.05967	1.6
102.05482	0.8
103.01647	0.8
105.03229	1.0
105.04465	1.8
106.01565	0.7
116.02438	1.1
117.01941	0.7
117.03336	0.6
117.04433	0.5
118.02895	2.5
118.03999	11.4
119.02398	4.8
119.04355	0.7
121.54642	0.4
127.07551	1.5
130.02737	0.8
143.07054	1.1
144.01941	1.3
145.01480	0.9
145.02803	1.1
145.03960	1.4
145.05080	6.1
145.08606	25.7
146.02370	8.9
146.03517	4.8
146.07170	1.4
146.08904	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	146.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73013	1.2
55.01765	1.8
57.03329	3.5
59.01254	11.8
67.83347	1.2
71.01270	8.7
71.56567	1.8
72.00787	3.7
72.99180	6.3
73.02821	2.0
73.63059	1.1
74.02347	5.3
75.00753	7.9
81.61777	1.2
82.02876	1.7
85.02824	8.2
87.00764	7.9
99.00774	2.7
101.02361	2.0
102.05491	100.0
103.00266	1.6
103.05833	4.4
110.04403	1.5
116.61238	1.2
118.02914	1.3
128.03436	35.6
129.01833	1.3
129.03848	1.6
134.59435	1.2
146.02394	4.8
146.04482	10.6
146.06395	1.5
146.86647	1.5
147.02902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	6.6
55.55497	7.5
55.65328	6.5
57.03311	26.5
58.00454	6.6
59.01249	100.0
61.73174	6.0
70.56580	13.0
70.56952	23.3
71.01257	76.8
72.00758	9.4
72.99177	46.9
73.02823	13.5
74.02338	24.6
75.00751	83.9
75.68561	6.8
85.02824	43.1
87.00764	40.6
89.02323	7.5
99.00724	16.2
102.05485	16.1
103.05833	47.4
129.01796	10.1
129.03752	17.1
146.86591	13.6
147.02907	14.9
147.04517	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	24.6
59.01252	9.4
69.78500	0.5
69.97520	1.9
69.97919	0.8
71.01249	1.4
71.04897	3.8
72.99171	1.3
73.06443	0.5
74.63895	0.5
75.00750	1.0
75.50620	0.6
83.04868	1.2
85.02824	63.8
86.03159	2.5
87.00753	100.0
88.01077	2.3
90.87486	0.6
98.20531	0.7
101.02337	3.9
101.05984	3.6
103.03896	7.7
117.40670	0.5
129.01840	12.1
147.01770	1.0
147.02896	14.8
147.06552	1.3
161.86847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69034	4.4
57.03324	41.9
59.01243	27.4
69.23837	55.8
71.01251	19.6
71.04883	13.1
72.99173	11.6
75.00748	15.3
83.04922	5.7
85.02821	74.7
87.00755	100.0
98.19701	7.9
101.02302	7.8
101.05946	10.8
103.03896	11.1
106.86671	4.7
122.30730	4.6
129.01843	17.4
147.01877	7.9
147.02893	20.3
147.04399	6.2
147.06537	12.0
147.60165	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97630	6.1
55.44003	6.3
59.01250	19.3
64.01788	23.0
65.01315	88.9
65.99727	35.8
67.02890	23.3
68.01276	8.5
69.40218	21.9
69.40645	45.8
71.01253	13.2
72.99186	23.7
75.00756	20.6
75.02279	15.6
77.01329	8.8
79.02907	15.1
81.04448	7.2
82.02847	9.1
85.02838	14.3
87.00777	8.9
89.01311	7.1
90.00848	13.6
91.02892	28.3
93.04453	7.1
94.02891	7.8
95.06055	6.4
98.20511	13.1
101.03844	8.4
105.04472	29.4
106.03984	61.5
107.55930	6.8
113.93784	7.4
114.79226	7.9
115.20377	7.3
117.03403	8.4
118.04008	13.2
119.01340	7.9
119.02438	17.4
119.04932	38.7
120.01917	24.4
120.05552	19.6
121.03958	45.6
138.00662	7.7
147.01901	29.6
147.02992	18.9
147.04416	70.8
147.05553	15.7
147.06636	8.4
148.03946	16.3
148.05051	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	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01757	1.0
65.99740	0.6
66.00837	0.8
67.01755	1.9
67.02915	0.6
68.01290	0.8
68.40557	0.3
68.99689	0.7
69.59621	1.3
69.60048	1.4
71.01225	0.4
71.95360	0.4
82.02865	0.7
83.01268	1.1
92.08794	0.4
93.03352	0.8
94.02868	1.2
94.03668	2.0
95.01257	1.1
95.02398	0.7
95.04871	0.5
96.00840	0.6
97.02848	0.5
97.03943	0.9
103.56450	0.3
108.02055	98.6
109.02385	6.5
109.03920	0.4
109.77623	0.4
111.00775	8.5
120.01955	0.4
123.03168	0.6
124.01596	0.5
124.05205	0.4
125.50497	0.3
138.01871	100.0
139.00348	2.9
139.02213	7.4
139.03938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83505	2.7
55.01761	11.5
59.01230	3.4
59.81841	2.4
60.25029	2.4
65.99723	5.3
67.01762	22.7
67.02891	7.2
68.01286	11.9
68.99698	10.0
69.03337	6.3
69.61791	17.9
70.02882	2.6
73.33055	2.5
80.02567	3.1
81.03371	3.6
81.04449	5.7
82.02869	3.9
82.03980	19.3
83.01270	11.5
83.02385	8.3
83.04933	4.6
95.01254	6.8
95.02402	3.1
95.03226	2.8
95.04901	16.9
95.05961	2.5
96.00777	5.4
96.04442	7.5
97.02869	12.3
97.03944	14.6
98.02362	7.2
98.03495	7.0
108.01995	3.5
109.03981	8.2
109.06480	12.0
109.26889	2.6
111.00769	100.0
111.08048	3.4
112.01099	4.0
112.03933	2.9
112.05031	2.7
121.06486	6.4
122.03626	45.6
124.01640	5.3
124.05191	70.6
125.05502	3.6
137.05960	5.8
139.00278	40.4
139.02132	3.1
139.03915	12.5
139.05045	9.8
139.07520	20.1
139.56100	2.4
140.00984	5.5
140.02429	12.7
140.03441	9.4
140.04474	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	142.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00194	21.2
54.87584	2.3
55.01741	2.7
57.05571	2.4
58.02832	2.3
59.01246	7.5
68.99699	10.4
69.03324	4.4
71.01254	58.7
71.04906	3.3
71.19781	4.7
72.00779	3.7
72.99168	5.4
73.02816	3.0
80.99702	5.1
81.03332	2.8
83.01247	6.1
83.04912	3.6
85.02821	10.4
87.00740	15.8
96.99191	38.9
97.02840	2.5
98.02383	3.6
99.00755	2.8
102.05531	3.4
112.98699	42.0
115.00277	5.9
124.98701	100.0
125.02308	4.6
125.99063	3.4
126.05471	5.1
140.14922	2.3
140.98183	9.3
142.99777	74.8
143.03441	6.0
143.10674	6.9
144.00114	5.4
144.04448	6.6
144.06572	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17528	2.3
52.12807	2.2
53.00194	26.7
55.01768	3.2
55.89706	2.3
58.02831	2.5
59.01254	11.9
59.91191	2.3
61.53994	2.1
68.99689	9.0
71.01257	47.1
72.99194	3.3
80.99687	4.7
82.02866	5.3
83.01257	3.2
85.02822	4.6
85.21038	2.1
87.00745	13.2
96.99194	47.0
97.99582	2.2
98.20667	4.5
99.00782	2.5
100.07575	4.6
102.05502	9.7
112.98698	34.7
115.00266	6.3
124.98708	100.0
125.99053	5.4
140.98151	10.9
142.99770	76.7
144.00146	5.3
144.06569	9.0
152.66437	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	41.5
57.03312	2.6
59.01255	12.9
62.88057	2.6
65.01321	10.5
68.99686	9.6
69.03329	4.3
71.01258	68.9
71.04913	3.1
71.38487	5.1
72.99187	7.3
80.99684	10.4
81.03320	4.7
85.02821	5.2
85.45693	2.4
87.00756	18.3
89.01328	10.2
90.00871	3.4
96.99195	39.4
97.02800	3.9
97.06488	2.9
99.73515	2.4
112.98693	59.9
112.99429	4.9
113.99115	2.8
115.00293	7.2
116.02446	15.5
119.45607	2.7
124.98699	65.4
125.02324	3.2
125.06094	2.8
129.03227	3.1
132.91347	2.9
140.98187	8.4
141.64191	2.6
142.98637	5.7
142.99770	100.0
143.02512	3.6
143.03528	16.4
143.04672	6.0
143.06950	5.2
143.10703	5.0
143.98851	2.7
144.00093	3.9
144.01982	9.3
144.04437	17.9
144.05576	13.4
144.06412	13.9
154.53465	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	145.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10004	1.7
55.01755	10.0
55.33940	2.1
57.03320	4.3
58.02848	4.9
59.01253	28.1
69.90575	4.0
69.90976	5.8
70.32558	1.7
71.01258	100.0
72.00766	2.4
72.01595	4.4
72.99169	12.7
73.02824	4.2
74.02343	14.7
82.02869	3.5
83.01257	17.6
84.04417	10.8
85.02792	2.1
87.00751	77.4
88.01145	2.3
98.02341	3.1
99.00766	9.0
101.02335	12.9
101.07082	3.8
102.05492	58.6
109.03951	7.0
112.98740	3.8
115.00260	51.8
116.00595	3.2
125.03461	3.9
127.00263	16.3
127.05018	11.0
128.03450	25.2
145.00305	2.4
145.01340	19.2
145.06087	5.6
146.02415	3.4
146.04485	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	130.0864
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
50.66367	0.9
55.47873	1.0
57.03345	0.9
58.02846	2.3
64.68241	1.0
70.02847	7.9
71.01244	1.7
71.02381	1.6
71.04155	1.6
72.00780	3.5
73.02824	2.3
85.02825	7.2
87.04382	5.1
88.03898	3.1
93.89372	0.9
95.02387	2.6
99.68109	0.9
113.03445	6.1
114.01866	9.9
130.04076	1.2
130.08636	100.0
131.03452	2.3
131.04506	1.4
131.08949	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	131.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88642	1.6
54.95873	1.4
55.12478	1.5
57.03328	2.6
58.02849	12.1
59.01246	3.3
65.84191	1.4
70.02856	79.0
71.01262	10.5
71.02374	19.6
71.03182	2.8
71.55869	2.9
72.00780	33.5
72.01169	2.0
73.02816	4.7
75.00743	2.6
84.44629	1.6
85.02831	8.6
86.02354	2.5
86.05994	1.7
87.04391	6.0
88.03922	12.0
88.11631	1.3
95.02397	28.6
96.00801	3.7
97.59114	1.5
111.01914	6.1
113.02278	1.6
113.03458	53.1
114.01862	100.0
115.02203	2.6
131.03488	4.3
131.04533	11.6
132.02878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34749	9.3
70.51633	31.8
70.51981	10.4
71.01255	100.0
72.99173	27.7
75.63507	8.8
89.02270	9.8
91.03739	12.6
93.41695	12.1
115.00259	62.9
124.92640	8.7
125.43017	9.0
128.56348	9.5
133.01344	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.7
59.01252	2.0
69.03333	0.4
69.97306	1.5
71.01255	100.0
72.01592	3.4
72.99182	27.6
73.99541	0.6
87.00744	2.6
87.04401	1.0
89.02320	8.3
92.02405	0.8
98.19881	0.5
102.07134	0.3
107.03537	2.3
115.00258	83.9
116.00606	4.3
133.01323	13.7
133.04974	2.2
134.01645	0.7
134.04614	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94013	0.4
53.69662	0.5
57.02498	0.5
57.03326	1.5
57.32656	0.5
59.01262	3.4
63.26133	0.4
71.01255	100.0
71.21592	1.0
72.01595	3.7
72.99185	28.9
73.99548	0.5
75.00757	1.1
87.00750	2.9
87.04408	1.2
89.02316	8.2
92.02423	1.3
93.86237	0.5
107.03527	5.2
115.00260	87.1
116.00580	3.9
124.06752	0.5
133.01320	13.7
133.04932	2.6
134.01671	0.6
134.04611	9.7
138.90517	0.4
138.91760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69975	0.1
52.95795	0.1
55.01744	0.1
56.60777	0.1
57.03335	1.2
59.01251	2.4
59.98375	0.1
65.01311	0.4
69.03326	0.2
69.37351	1.3
71.01256	100.0
72.00793	0.3
72.01588	3.6
72.99183	23.1
73.99525	0.5
75.00748	1.7
85.02826	0.4
87.00756	8.2
87.04395	2.6
88.01071	0.2
89.02321	10.2
90.02668	0.4
92.02423	1.9
98.20540	0.3
99.00761	0.2
106.04005	0.3
107.03518	7.0
115.00261	79.2
115.91962	0.2
116.00594	3.4
132.86665	0.4
133.01329	12.7
133.04166	0.3
133.04965	9.4
134.01642	0.5
134.03578	0.8
134.04614	16.1
148.85994	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	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
50.54430	0.1
54.43579	0.1
57.60907	0.1
57.94014	0.1
58.66564	0.2
59.01266	0.2
65.01319	2.1
68.02408	1.2
69.55338	0.2
71.01257	0.4
71.03855	0.2
71.04199	0.3
72.99186	0.4
75.00748	2.3
80.02421	0.8
92.02422	14.7
93.02213	0.1
93.02761	0.5
93.03326	0.3
106.04044	0.2
107.03519	50.2
108.02107	0.1
108.03207	0.6
108.03870	2.0
117.01907	0.2
120.70583	0.2
134.04623	100.0
135.02872	0.6
135.04256	1.6
135.04977	4.1
137.21445	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	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
58.00465	0.6
59.01250	8.5
60.99186	0.3
65.01316	0.3
65.99722	0.8
67.28331	0.3
69.96421	1.6
71.01255	5.6
72.01604	0.4
72.99181	17.3
75.00748	100.0
76.01086	1.5
80.96409	0.5
87.00754	1.8
89.02322	4.6
92.04955	0.5
93.03297	0.6
93.55622	0.3
95.95127	0.7
99.00786	0.3
106.04025	0.4
107.04909	1.1
108.02049	0.9
110.91652	0.3
114.43263	0.2
115.31292	0.2
117.00707	0.3
117.01859	1.7
123.04384	0.3
126.40211	0.3
134.03680	0.6
134.89380	1.9
134.91539	0.8
135.02904	13.8
135.04419	3.6
135.97012	2.9
136.01564	0.4
136.03156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
58.00465	0.6
59.01250	8.5
60.99186	0.3
65.01316	0.3
65.99722	0.8
67.28331	0.3
69.96421	1.6
71.01255	5.6
72.01604	0.4
72.99181	17.3
75.00748	100.0
76.01086	1.5
80.96409	0.5
87.00754	1.8
89.02322	4.6
92.04955	0.5
93.03297	0.6
93.55622	0.3
95.95127	0.7
99.00786	0.3
106.04025	0.4
107.04909	1.1
108.02049	0.9
110.91652	0.3
114.43263	0.2
115.31292	0.2
117.00707	0.3
117.01859	1.7
123.04384	0.3
126.40211	0.3
134.03680	0.6
134.89380	1.9
134.91539	0.8
135.02904	13.8
135.04419	3.6
135.97012	2.9
136.01564	0.4
136.03156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	3.5
53.55424	0.6
59.01245	1.0
64.01781	1.3
65.01324	6.0
65.99724	9.7
66.10516	0.7
66.92082	0.7
68.01294	2.6
69.61965	1.9
69.62393	3.6
77.01321	3.3
88.35809	0.7
91.02898	6.4
91.05408	2.0
92.01318	5.4
92.02460	1.3
93.00832	2.5
93.03331	7.5
101.92251	1.5
104.02541	0.8
117.03333	1.5
118.03984	1.0
118.92595	2.6
119.02441	14.8
119.04919	100.0
120.01938	6.2
120.02689	1.0
120.04401	1.7
120.05589	18.6
135.98813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	1.0
52.01780	1.1
53.00180	1.2
58.02846	3.1
64.01810	2.0
65.01321	11.9
65.99722	2.4
66.00848	1.5
66.03365	8.1
67.01756	3.3
67.02880	4.1
68.01287	3.4
68.99703	5.7
75.75959	1.0
77.01330	1.3
78.42715	0.9
79.01642	2.2
79.02892	26.1
80.01285	1.2
80.02535	2.6
81.03334	1.0
81.04456	18.5
82.01610	9.9
82.02856	3.6
82.28767	0.9
90.83334	0.8
92.02429	2.2
94.02868	51.9
95.01267	100.0
95.02304	11.1
95.03204	3.1
96.00781	2.3
96.04441	1.8
98.19752	1.8
108.02020	1.9
109.36320	0.9
122.02361	24.0
122.03447	36.6
122.06090	1.1
123.00761	39.5
123.01862	12.3
123.04408	5.0
123.05528	7.7
123.08015	1.1
126.19536	0.9
140.00301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00234	1.1
52.01792	1.3
53.00182	0.9
53.10695	0.8
53.25158	0.9
57.03329	1.9
57.44580	1.1
58.02845	3.9
64.01793	1.3
65.01316	18.0
65.99721	4.2
66.00848	2.5
66.03358	3.4
67.01755	5.7
67.02874	2.3
68.01281	5.2
68.99696	5.7
69.48347	0.9
73.75466	1.1
76.93671	1.1
79.02900	8.5
80.03227	2.3
80.04929	1.7
81.03342	4.7
81.04462	17.1
82.02866	10.8
82.03973	10.1
83.04853	1.4
94.02863	6.5
94.39943	1.2
95.01267	100.0
95.02378	3.1
95.03217	2.7
95.04913	1.8
96.00792	2.9
96.01603	4.7
96.04418	5.5
97.00316	2.2
103.57734	1.0
107.04911	52.8
108.02029	2.4
108.05247	3.6
109.01596	1.2
121.02818	1.0
121.06496	6.5
122.03710	1.0
123.00777	52.0
123.01873	14.9
123.02718	1.8
123.04427	5.0
123.05544	7.3
123.08055	42.2
124.00303	2.3
124.01582	17.3
124.03944	9.3
124.05039	4.0
124.08396	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	125.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
55.87362	0.7
57.03328	2.9
58.00465	1.4
58.14605	0.9
65.01318	2.9
65.99721	11.0
66.03357	0.8
67.01765	3.1
67.02881	6.0
67.98254	0.7
68.01275	1.6
68.99702	1.3
69.03326	23.6
69.45884	3.2
69.46312	3.0
70.03664	0.8
71.01260	3.7
71.04905	3.7
79.01769	2.0
80.31063	0.8
81.03340	4.7
81.04442	1.2
82.02860	3.0
83.01270	3.1
83.02379	10.6
83.04900	1.6
84.00787	0.8
84.02036	13.5
85.02833	1.0
94.31516	0.7
95.01283	2.5
95.02380	1.3
95.04890	7.8
96.00785	5.8
96.99198	3.6
97.01598	2.1
97.02834	18.8
97.03935	2.0
97.06467	38.6
98.02383	2.3
98.06020	2.3
98.06799	2.0
98.20583	1.5
99.81256	0.7
107.04920	5.0
108.02007	0.9
109.02880	1.1
110.03623	8.5
123.00765	1.3
124.01550	5.5
124.98704	1.6
125.02347	100.0
125.03397	4.5
125.05975	5.4
126.01853	2.8
126.02773	7.7
126.05504	17.5
126.06376	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	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82528	2.3
55.01733	4.6
58.02830	6.6
59.01253	23.9
63.39466	2.5
67.33240	2.3
69.03329	2.4
71.01251	13.1
78.51576	2.6
81.03336	4.9
82.02884	3.9
83.01264	4.9
85.02809	8.2
85.03957	24.3
86.02339	7.6
99.00774	3.8
100.03918	2.6
109.06490	12.9
126.90296	17.1
127.00258	13.7
127.01187	3.2
127.03909	5.9
127.05045	4.5
127.07537	100.0
128.03423	11.6
128.07043	3.5
128.07880	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50181	2.5
55.01751	9.4
56.71195	2.8
57.03325	27.3
57.18909	2.8
58.02835	8.4
59.01240	4.5
61.26285	2.9
62.66167	2.9
64.16032	2.8
65.94327	3.0
66.14058	2.8
67.01760	48.4
68.99678	9.9
69.36227	3.4
71.01260	10.5
71.34917	5.3
73.02834	5.5
74.13619	3.4
82.68026	2.9
83.01255	4.5
85.02827	100.0
87.00765	3.9
88.03915	36.5
92.38436	3.0
95.61104	3.5
101.02309	9.1
108.42412	3.4
114.80408	2.9
123.27077	2.9
129.01857	18.9
130.03981	8.6
130.08640	47.7
143.03754	2.8
148.38094	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	13.7
57.03322	38.2
58.02866	6.4
67.01764	100.0
68.99689	20.9
69.64634	17.3
69.65040	10.2
71.01255	13.9
72.99203	8.3
83.01241	5.3
83.04900	4.8
84.35981	4.0
85.02814	44.6
86.05984	4.4
88.03928	17.0
91.77768	4.0
99.00761	7.0
101.02312	5.7
111.00798	5.0
116.02109	3.6
128.90048	8.8
129.01837	24.8
129.03740	6.0
130.08630	47.8
144.91364	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	1189.6892
Annotation	Unknow
Peak:m/z	Relative Intensity
82.19510	0.1
83.01232	0.6
85.02824	5.8
85.99963	0.6
87.00754	2.9
87.04377	1.0
89.02314	1.3
95.01266	1.2
96.95877	0.2
97.02861	0.3
99.00761	4.0
101.02332	2.2
103.03886	0.7
111.00757	0.3
113.02337	4.3
115.00279	0.2
115.03355	0.1
115.03912	1.3
119.03377	0.4
127.03767	0.2
131.03401	4.8
139.00272	0.2
143.03403	3.3
145.04974	0.4
157.01350	0.5
163.06015	0.5
205.07117	2.5
220.14674	0.4
221.15353	0.3
236.10506	0.2
247.08199	0.3
399.57828	0.2
405.31686	0.2
421.30963	0.2
423.32880	0.3
439.35904	2.5
485.36508	0.2
509.39978	1.6
553.39581	0.2
599.39642	0.4
645.36279	0.2
687.45355	0.3
767.19556	0.2
821.62152	0.2
877.49579	0.5
895.50610	100.0
896.50952	14.3
1227.81189	0.2
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
50.00220	3.0
50.19653	0.7
59.01236	0.9
61.31126	0.6
63.32060	0.6
64.01805	0.9
65.01321	4.7
65.01617	0.6
65.99731	5.2
68.01299	1.3
69.80434	3.8
74.37056	0.6
75.15873	0.8
77.01337	1.2
80.89381	0.8
91.02899	2.7
91.05402	1.5
92.01304	3.2
93.00834	1.7
93.03328	5.8
110.59666	0.8
117.03355	1.4
118.04022	0.9
119.02431	10.4
119.04914	100.0
120.01919	3.8
120.05560	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	1187.7143
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	2.7
85.02822	9.9
86.03153	0.2
87.00761	0.6
89.02325	1.6
91.00695	0.2
95.01256	2.1
96.95911	0.4
97.02847	0.9
99.00774	2.3
101.02321	8.1
103.57053	0.2
104.37270	0.2
105.31963	0.2
111.00776	0.9
112.01575	0.5
113.02334	11.8
115.03913	0.3
119.03431	0.7
124.01575	0.5
125.02365	0.8
129.01849	0.3
134.26805	0.2
140.33086	0.2
142.02652	0.3
143.03404	1.4
156.66852	0.2
159.02872	1.4
161.04463	3.2
165.36688	0.3
197.15417	1.1
213.18541	3.2
214.18979	0.3
266.50064	0.2
281.59946	0.2
299.25940	2.1
327.29147	0.4
345.30075	7.8
346.30362	0.4
387.31281	0.3
415.30875	0.4
441.32370	0.3
443.29999	0.4
461.31305	0.3
471.32916	0.3
487.32916	0.4
488.33148	0.4
489.34326	100.0
490.34683	7.4
491.34900	0.3
507.35373	38.3
508.35876	2.6
540.50464	0.3
549.36444	60.9
550.36786	4.3
629.93677	0.3
758.42175	0.3
769.25433	0.2
806.89502	0.3
1147.78394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.6014
Annotation	CHRYSANTHELLIN A
Peak:m/z	Relative Intensity
83.01261	1.1
85.02823	6.9
85.99960	0.9
86.03194	0.2
87.00749	3.6
87.04388	1.1
89.02322	2.1
95.01272	1.2
96.51420	0.1
96.95881	0.7
97.02849	0.2
99.00755	6.3
99.04415	0.2
101.02320	5.7
103.03893	0.5
111.00755	0.3
112.01559	0.3
113.02328	5.1
115.00311	0.2
115.03860	1.0
119.03389	0.8
125.02326	0.2
129.01805	0.3
131.03400	4.5
139.00304	0.3
143.03406	2.0
145.04924	0.2
150.89781	0.1
157.01312	0.6
159.02908	0.2
159.40976	0.2
161.04480	0.3
161.26045	0.1
163.06049	0.5
167.22969	0.2
197.39543	0.2
205.07140	0.9
208.86948	0.1
255.02927	0.3
270.01910	0.2
271.02734	0.2
284.03326	0.3
313.03540	0.5
353.38440	0.2
535.48138	0.2
571.40118	0.6
640.33539	0.1
893.49329	1.4
929.26166	0.2
930.24048	0.2
1171.59448	1.0
1189.60059	100.0
1190.60437	21.9
1191.60266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.591
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	1.3
84.97358	0.1
85.02824	6.8
85.99983	0.9
87.00754	3.7
87.04395	1.1
87.23025	0.1
89.02324	1.2
95.01265	1.5
96.95864	0.1
97.02344	0.1
97.02826	2.6
99.00759	6.5
99.04388	0.2
101.01702	0.2
101.02328	3.2
103.03871	0.6
108.85008	0.1
111.00742	0.1
112.01552	0.2
113.02333	5.3
114.77467	0.1
115.03909	1.4
119.03387	0.2
124.01523	0.1
125.02340	8.5
126.02631	0.1
127.03884	0.3
129.01840	0.3
131.03398	4.0
139.00240	0.2
143.03404	3.1
145.04967	0.5
157.01326	0.4
159.02959	0.2
161.04491	1.0
163.06036	0.6
204.20847	0.1
205.07121	1.6
245.06673	0.2
247.08199	0.2
287.07742	0.5
396.33240	0.1
439.36090	0.6
465.37402	0.6
535.41516	0.2
565.39252	0.4
833.50940	0.4
887.47528	0.5
895.50464	0.1
921.51776	0.8
1021.53241	0.3
1021.73895	0.1
1165.58191	1.4
1166.58118	0.2
1183.59021	100.0
1184.59399	15.7
1201.72437	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	1177.6885
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.4
85.02822	7.8
87.00775	0.9
89.02262	0.2
92.44813	0.1
95.01250	0.6
96.56596	0.2
99.00230	0.1
99.00765	1.4
103.00201	0.2
106.16520	0.2
106.57692	0.1
111.00767	0.2
112.01550	0.4
113.02329	7.8
114.02692	0.2
115.00240	0.4
116.01036	0.2
117.01843	0.3
129.01805	0.5
151.56152	0.2
157.01309	1.0
171.07033	0.1
175.02348	0.7
352.18268	0.2
393.31818	0.2
405.47293	0.2
423.32455	0.8
437.30707	0.4
439.32339	1.1
440.32471	0.2
451.32385	0.4
453.33664	0.5
454.34561	0.2
469.33212	1.0
470.33405	0.2
471.34918	8.0
472.35120	1.3
473.35330	0.2
492.47498	0.2
527.33936	0.6
553.35352	0.2
562.03595	0.2
571.36462	1.6
587.35736	0.6
646.36621	0.3
647.37982	100.0
648.38367	13.8
649.38605	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	1177.6894
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.4
85.02824	8.5
85.99972	0.2
87.00749	1.1
89.02299	0.2
95.01275	1.4
96.95853	0.2
97.02848	0.2
97.06474	0.2
99.00768	1.2
111.00744	0.2
112.01536	0.5
113.02336	8.1
115.00233	0.4
116.01057	1.0
116.73412	0.1
117.01797	0.8
129.01816	0.4
157.01375	1.0
175.02391	0.6
185.36734	0.1
222.29622	0.1
310.00693	0.2
391.29898	0.3
399.74411	0.1
405.31747	0.3
407.32907	0.6
423.33038	0.2
439.32254	0.4
441.33572	0.6
451.32025	1.1
453.33755	3.4
454.34024	0.3
471.34818	2.4
472.35046	0.2
485.32956	0.2
507.34705	0.6
509.32416	0.3
553.35510	1.0
571.36328	0.6
585.37793	0.3
587.35974	0.4
629.37250	0.6
645.36279	0.6
646.36884	1.2
647.37970	100.0
648.38300	9.9
648.54279	0.2
1061.07080	0.2
1133.43518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	1.1
85.02831	1.4
92.31211	0.8
107.01286	2.1
125.02325	1.1
132.02132	0.8
135.55629	0.8
145.02817	1.0
151.00285	9.4
169.01405	2.1
175.03876	1.0
178.99750	3.2
183.04430	1.7
186.03127	1.2
199.03972	6.3
214.02702	1.0
215.03473	2.3
226.02687	1.1
227.03421	7.7
241.01430	1.6
242.02208	9.1
243.00449	1.4
243.02959	26.3
244.03583	1.2
245.00897	2.4
255.02968	17.3
256.03537	1.9
257.04581	4.7
270.01721	12.2
271.02481	40.3
272.03046	2.8
283.02371	1.8
284.03168	3.2
285.04056	13.0
286.04794	3.3
287.05682	2.1
298.01212	2.6
299.01984	65.1
300.02731	24.0
301.03284	1.8
305.01794	0.9
313.03555	23.3
314.04318	89.2
315.05081	41.9
316.05432	1.8
339.04889	1.0
357.06049	2.0
386.09625	0.8
476.09140	1.5
555.14044	7.0
556.15607	0.9
705.40717	0.9
739.20996	1.0
769.22028	53.7
770.22198	6.1
771.83020	0.8
957.34253	2.7
959.31604	5.5
960.33057	1.2
983.31610	1.1
1001.32916	2.2
1015.27148	0.9
1019.34119	100.0
1020.34271	17.2
1061.33948	3.1
1103.63892	1.0
1181.39624	19.9
1182.39526	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68721	0.7
70.75935	2.4
72.00769	1.3
73.02821	100.0
73.43949	0.7
74.02325	1.3
74.03149	3.3
93.52734	0.8
99.00764	8.0
99.92462	1.9
108.88081	0.7
109.36504	0.7
115.39075	0.7
116.92764	4.5
117.01836	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15100	0.2
55.01762	0.8
58.98367	0.2
70.33230	1.1
71.01253	0.8
72.00761	0.3
73.02821	100.0
74.02348	0.5
74.03157	3.8
74.72787	0.3
76.37990	0.2
80.64947	0.3
89.44432	0.3
99.00764	8.8
99.92471	0.4
102.57664	0.3
116.92755	1.2
117.01833	10.7
118.02185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05358	0.7
59.01254	1.7
65.35980	0.7
70.97846	2.2
71.01245	1.3
72.01591	1.4
72.81102	0.7
73.02821	100.0
74.02358	0.9
79.45884	0.7
99.00762	6.9
99.92464	14.6
116.07060	51.3
116.92748	30.8
117.01830	9.8
117.07421	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05358	0.7
59.01254	1.7
65.35980	0.7
70.97846	2.2
71.01245	1.3
72.01591	1.4
72.81102	0.7
73.02821	100.0
74.02358	0.9
79.45884	0.7
99.00762	6.9
99.92464	14.6
116.07060	51.3
116.92748	30.8
117.01830	9.8
117.07421	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	1167.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01787	0.4
95.21917	0.3
103.58113	0.3
107.01276	2.1
108.02066	0.5
109.02836	0.7
114.67018	0.3
121.02862	0.8
133.02855	1.2
135.00760	0.6
143.04939	0.3
151.00267	6.2
157.02867	0.4
161.02391	0.3
163.00253	1.0
165.01903	0.4
165.98958	0.4
169.01363	0.7
171.04408	1.3
175.00235	0.5
175.03949	0.9
178.99776	3.3
183.04443	0.5
187.03908	0.9
189.05481	0.3
199.03932	4.6
201.01889	1.2
203.03445	0.5
211.03967	0.5
215.03448	2.2
216.04057	0.5
225.01848	0.3
226.02682	1.0
227.03462	5.6
229.01604	0.4
229.05061	0.3
242.02174	0.4
243.02954	7.9
244.03439	0.5
254.02156	0.9
255.02960	14.2
256.03427	1.1
257.04587	0.4
271.02472	76.9
272.02933	3.9
273.04041	0.8
282.01569	0.6
283.02444	1.7
284.03244	4.2
285.03918	1.7
299.01959	100.0
300.02707	52.6
301.03470	17.5
301.06412	0.2
302.03796	0.3
313.03366	0.5
314.04367	0.6
315.05237	0.4
332.60434	0.3
343.04428	0.8
362.27521	0.3
379.73926	0.3
420.33417	0.3
462.08032	16.7
463.08585	2.1
737.19061	0.3
739.21381	2.0
740.21350	0.6
755.20398	10.7
756.21252	0.7
901.24652	0.4
917.25732	14.1
918.26465	1.5
943.32349	0.7
945.29889	0.7
987.31299	1.2
1004.29041	0.4
1005.32446	25.5
1006.32153	3.0
1047.32263	0.5
1105.37158	0.7
1107.35901	1.3
1149.36450	2.2
1167.37695	65.4
1168.38135	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	1151.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	1.1
93.03319	0.6
94.16828	0.5
96.95856	0.5
98.20528	0.8
101.02332	0.8
102.65279	0.4
107.01286	2.3
117.03357	1.3
122.87718	0.4
132.02084	0.8
135.00769	1.0
138.34460	0.4
139.07579	0.4
145.02887	0.9
151.00273	5.1
153.01895	0.5
159.04381	0.7
163.00311	0.8
165.05530	0.5
168.86971	0.4
169.01332	1.9
171.04431	0.7
175.04056	0.6
175.83771	0.4
178.99762	1.9
180.72188	0.4
183.04405	2.1
185.06033	0.5
187.03923	1.3
189.05470	0.6
199.04037	0.9
200.04575	0.9
211.03912	3.0
213.05475	0.8
227.03452	28.3
228.03868	1.6
229.04968	3.0
239.03448	1.5
241.04916	0.8
255.02979	74.4
256.03534	7.1
257.04599	3.2
279.12433	0.5
283.02490	27.9
284.03265	100.0
285.03986	38.9
286.04440	1.8
309.03940	0.6
317.42740	0.5
326.04266	1.0
327.05081	1.7
339.04993	1.0
393.06335	0.8
446.08539	1.9
447.09506	0.7
575.14056	1.1
726.30896	0.5
739.20947	25.6
740.21106	2.3
843.23572	0.8
847.25885	0.9
885.24811	4.9
886.24951	0.9
901.26385	0.8
924.12842	0.5
927.32526	2.5
929.31110	3.9
930.30615	0.6
959.31750	0.7
971.32837	2.5
989.32977	71.9
989.80072	3.2
990.33264	10.5
1031.32996	1.2
1151.38135	19.2
1152.38806	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	1153.6177
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.5
85.02821	1.6
87.00739	0.4
89.00851	0.3
89.02324	2.5
93.15090	0.3
95.01274	0.6
96.95871	0.3
98.19766	0.3
99.00768	5.2
101.02305	0.9
103.37583	0.2
112.01553	0.2
113.02351	1.7
131.03394	0.6
154.73125	0.3
157.01390	0.6
171.38831	0.3
183.13849	0.4
188.55042	0.3
193.50670	0.3
199.75209	0.2
227.12833	0.4
255.02963	0.3
322.96918	0.3
355.87405	0.2
391.38870	0.2
423.32761	0.4
437.34836	0.3
453.33746	0.6
455.35300	4.0
456.23944	0.3
456.35770	0.5
497.36334	0.8
515.53241	0.3
523.37854	1.4
551.37146	0.6
569.38507	4.9
570.39294	0.7
583.40228	0.6
587.39276	0.8
613.37512	7.3
614.37708	1.1
629.40668	1.7
634.53162	0.3
649.38934	0.4
701.30457	0.4
701.42664	7.8
702.42944	1.2
719.43756	1.2
763.42657	5.6
763.55450	0.5
764.43372	1.1
925.48035	100.0
926.48279	15.0
1031.81372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
80.26836	0.6
84.11105	0.6
96.95868	1.4
106.48416	0.6
107.01276	1.8
121.02814	0.7
127.44302	0.6
148.01561	0.9
151.00261	6.5
163.00285	0.6
164.01012	0.6
178.99786	3.5
187.03867	0.6
199.03870	0.7
211.04031	0.7
215.03458	0.7
225.55093	0.6
226.02638	1.4
227.03424	2.2
243.02968	8.1
244.03426	0.7
254.02217	1.6
255.00250	1.0
255.02972	21.8
256.03381	1.3
271.02487	48.1
272.03027	3.7
284.03348	1.0
285.03952	0.7
299.02087	4.0
300.02753	73.5
301.03439	13.0
333.82449	0.6
626.41382	0.9
771.19891	100.0
772.20282	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	1151.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01261	0.7
85.02855	0.2
87.00745	0.2
89.02333	0.2
89.74022	0.2
93.03342	0.6
95.01293	0.2
96.95863	0.2
97.02796	0.2
107.01263	2.1
109.02819	0.2
116.14217	0.2
117.03371	0.7
121.02879	0.2
124.01562	0.2
125.02366	0.3
132.02113	0.7
135.00809	0.9
140.66966	0.1
141.03323	0.2
143.04964	0.3
145.02838	0.3
150.99120	0.3
151.00288	5.4
152.01045	0.4
153.01830	0.3
155.04892	0.5
157.06514	0.2
159.04497	0.8
159.05603	0.2
161.09573	0.3
163.00273	1.1
164.01176	0.4
167.04977	0.5
169.01372	1.3
169.06480	0.4
171.04420	0.6
177.59055	0.2
178.99777	2.4
182.03668	0.3
183.04469	2.5
185.02382	0.6
185.06035	0.8
187.03870	0.9
187.11220	0.3
189.05476	0.3
190.99741	0.2
192.00566	0.3
193.01404	0.2
195.04465	0.4
196.05247	0.3
197.05930	0.3
199.03940	0.7
200.04669	0.4
201.05409	0.3
210.03130	0.2
211.03947	2.5
212.04578	0.3
213.01805	0.3
213.05511	0.8
214.02721	0.2
214.23167	0.2
215.03510	0.2
217.05045	0.2
227.03458	28.2
228.03860	1.5
229.05023	2.8
239.03419	1.3
240.04169	0.4
241.04997	0.4
243.03030	0.4
255.02977	75.4
256.03537	6.6
257.04544	3.1
258.05054	0.2
267.02927	0.3
269.04404	0.3
281.04599	0.4
283.02490	34.6
284.03259	100.0
285.03992	36.9
286.04416	1.9
297.04111	0.5
298.04819	0.3
299.05545	0.2
309.03958	0.7
313.03619	0.2
326.04227	0.9
326.68857	0.2
327.05063	1.5
339.04996	0.8
351.05313	0.3
351.63293	0.2
356.81766	0.2
366.92596	0.2
369.06183	0.2
393.06177	0.8
446.08524	2.4
447.09213	0.7
469.69077	0.2
575.13818	1.2
593.15009	0.2
703.27972	0.4
739.20959	27.8
740.21368	2.4
847.26361	0.8
894.21436	0.2
901.25513	0.9
927.32904	2.7
928.33582	0.3
929.30878	5.6
930.32147	1.0
953.31171	0.4
971.31970	2.3
972.31842	0.3
989.32971	62.8
990.33325	9.3
995.31439	0.6
1013.34363	0.3
1031.34033	1.2
1088.34045	0.2
1133.36755	0.4
1151.38220	27.8
1152.38672	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	1151.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	0.6
93.03355	0.7
95.01268	0.3
96.95928	0.2
97.02876	0.2
101.02309	0.2
105.77499	0.2
107.01271	2.2
107.04912	0.3
108.02092	0.2
109.02840	0.4
117.03353	0.7
117.04118	0.2
125.02358	0.3
125.09596	0.2
132.02095	0.6
133.02896	0.2
135.00768	0.6
137.02353	0.3
141.03387	0.2
143.04936	0.4
145.02881	0.3
145.04994	0.2
151.00275	5.1
152.01035	0.4
153.01776	0.3
154.04131	0.4
155.04947	0.3
159.04430	1.0
161.09555	0.2
163.00285	1.4
164.01044	0.7
164.44121	0.2
165.01868	0.3
167.04922	0.3
169.01392	1.3
169.02689	0.3
169.06462	0.4
171.04446	0.6
178.99797	2.9
182.03638	0.4
183.04456	2.6
185.02356	0.6
185.06017	0.8
187.03940	1.0
187.11356	0.2
189.05458	0.4
190.66910	0.2
195.04427	0.4
197.06075	0.2
199.03951	0.9
200.04678	0.4
211.03922	3.1
212.04610	0.3
213.01680	0.2
213.05440	0.9
214.02486	0.2
214.55916	0.2
215.03458	0.2
227.03450	31.0
228.03880	1.4
229.05003	3.1
239.03471	1.3
240.04179	0.5
241.04965	0.7
255.02969	77.5
256.03537	6.2
257.04562	3.5
258.04886	0.2
267.02957	0.3
268.03714	0.2
269.04541	0.4
281.04630	0.7
283.02484	32.6
284.03253	100.0
285.03998	39.0
286.04379	1.8
297.03973	0.3
298.04782	0.3
299.05484	0.2
309.04016	0.6
311.05585	0.2
326.04260	1.0
327.05127	2.2
339.05048	0.7
351.04974	0.3
357.06189	0.3
393.06122	1.0
446.08493	2.6
447.08743	0.9
473.11032	0.3
575.14258	0.8
593.14746	0.3
703.29224	0.2
739.20935	24.7
740.21509	1.5
847.27222	0.5
901.26453	1.2
927.32837	2.7
929.30804	4.5
930.32019	0.3
953.30707	0.5
971.31995	2.0
972.33075	0.3
989.32941	54.5
990.33325	7.0
995.32037	0.4
1031.33643	0.9
1133.37073	0.3
1151.38245	24.7
1152.38354	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	1149.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95608	11.3
85.02827	0.2
87.00693	0.1
89.02353	0.1
94.97954	0.1
95.97501	0.1
96.95891	100.0
97.95814	0.2
99.00792	0.1
101.02300	0.1
113.02370	0.1
125.02314	0.1
157.40637	0.1
229.97749	0.1
368.65976	0.1
572.98260	0.1
865.24573	0.1
943.44440	0.1
1051.54907	1.7
1052.55151	0.3
1077.24719	0.1
1089.50452	0.7
1090.49182	0.1
1122.54529	0.1
1149.51526	0.5
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
59.01249	14.5
71.01255	100.0
71.17281	5.4
72.01574	4.6
72.99177	5.7
73.03934	5.8
74.02334	3.6
87.00758	29.1
96.99194	5.2
102.15603	2.4
115.00272	13.2
115.03914	3.0
116.02459	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	115.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09282	1.5
57.03326	1.7
58.02851	1.9
59.01249	7.8
62.10327	1.2
64.01791	5.8
65.01319	24.1
69.03340	1.3
70.25027	5.6
71.01244	7.2
71.04899	11.7
72.00775	1.5
73.03943	32.8
74.02350	9.9
80.40895	1.1
87.00774	1.4
88.01816	1.8
89.01328	43.4
97.02813	2.3
97.93008	17.0
98.02367	1.8
99.92468	2.9
108.36680	1.1
114.93301	35.8
115.00227	1.9
115.02912	28.3
115.03877	6.0
115.07539	100.0
115.91962	3.3
116.02442	44.0
116.03252	3.0
116.07059	6.5
116.07890	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	1147.6907
Annotation	Unknow
Peak:m/z	Relative Intensity
79.77285	0.2
87.00709	0.3
101.02277	0.4
104.50836	0.2
104.97341	0.4
110.98417	10.2
113.02341	0.3
118.04983	0.2
137.00008	0.3
149.81419	0.3
152.99492	0.5
165.12761	0.7
167.01070	8.3
181.92108	0.2
183.13829	5.8
185.02126	6.8
186.02478	0.8
187.02597	0.3
227.12909	0.3
253.09406	0.3
253.21727	1.0
254.21982	0.5
255.23273	100.0
256.23618	4.7
277.21738	8.4
278.21982	0.8
325.18552	0.2
421.23657	2.2
422.23926	1.8
423.25165	61.8
424.25488	3.5
723.43231	22.5
724.43481	3.4
725.44238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6907
Annotation	Unknow
Peak:m/z	Relative Intensity
97.20921	0.5
110.98426	11.6
119.55293	0.5
126.88655	0.4
164.06427	0.5
165.12750	0.7
167.01050	8.9
183.01132	1.3
183.13821	11.6
185.02113	5.9
253.21567	0.6
255.23270	100.0
256.23636	3.9
277.21799	3.6
325.18362	0.8
339.19934	2.5
340.20279	2.1
341.19989	0.6
421.23608	1.4
422.23846	1.5
423.25171	55.0
424.25375	3.3
721.72540	0.5
723.43097	20.2
724.43616	2.2
1170.99011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1148.7021
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	0.7
85.02823	10.4
87.00765	1.1
88.96737	0.2
95.01254	1.6
97.02842	0.3
99.00755	0.7
111.00778	0.4
112.01524	0.7
113.02335	7.5
115.00283	0.4
116.01028	0.3
117.01858	0.3
119.07337	0.2
129.01810	0.7
130.99704	0.2
138.90472	0.2
139.00224	0.3
156.96017	0.2
157.01311	0.9
163.06180	0.2
175.02409	0.5
196.93716	0.2
277.21707	1.5
405.26501	0.2
437.34268	0.5
453.33612	1.2
455.35312	6.6
455.41754	0.3
456.35590	0.5
502.29483	1.9
509.36438	1.9
511.33896	0.4
517.05646	0.2
527.37286	0.2
555.36963	2.6
556.37183	0.4
613.37360	0.5
631.38501	100.0
632.38831	7.7
843.60065	0.2
896.51685	0.2
1148.71680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
81.21097	0.6
95.14494	0.8
96.95858	0.8
105.74310	0.7
107.01243	1.3
109.02846	1.0
151.00282	5.4
167.52266	0.8
169.01395	1.1
178.99754	2.2
187.03937	0.7
199.03925	4.0
201.01859	1.4
203.03326	1.5
215.03448	2.4
216.04170	0.7
227.03461	5.7
227.16133	0.8
243.02899	6.3
255.02988	12.7
271.02481	80.5
272.02945	4.2
283.02408	1.3
284.03189	2.7
299.01974	100.0
300.02713	43.7
301.03455	11.5
313.03488	1.0
314.03741	1.0
315.04739	0.9
447.92819	0.8
462.08115	13.3
463.08438	1.5
755.20667	1.7
769.22229	1.5
880.77710	0.8
916.25220	1.2
917.25732	1.7
961.28577	1.4
962.87604	0.9
979.30853	18.0
980.31586	1.5
1081.34778	2.0
1123.37000	1.4
1141.36145	60.2
1142.36011	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	1141.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
81.21097	0.6
95.14494	0.8
96.95858	0.8
105.74310	0.7
107.01243	1.3
109.02846	1.0
151.00282	5.4
167.52266	0.8
169.01395	1.1
178.99754	2.2
187.03937	0.7
199.03925	4.0
201.01859	1.4
203.03326	1.5
215.03448	2.4
216.04170	0.7
227.03461	5.7
227.16133	0.8
243.02899	6.3
255.02988	12.7
271.02481	80.5
272.02945	4.2
283.02408	1.3
284.03189	2.7
299.01974	100.0
300.02713	43.7
301.03455	11.5
313.03488	1.0
314.03741	1.0
315.04739	0.9
447.92819	0.8
462.08115	13.3
463.08438	1.5
755.20667	1.7
769.22229	1.5
880.77710	0.8
916.25220	1.2
917.25732	1.7
961.28577	1.4
962.87604	0.9
979.30853	18.0
980.31586	1.5
1081.34778	2.0
1123.37000	1.4
1141.36145	60.2
1142.36011	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	1141.542
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01261	0.5
85.02833	2.0
87.00752	1.0
88.98678	100.0
89.02312	0.8
89.99021	0.4
95.01283	0.5
95.47066	0.2
97.02825	0.5
98.20650	0.6
99.00758	1.0
101.02332	1.4
103.03902	0.3
113.02380	1.3
125.02322	1.2
131.03386	0.7
135.43219	0.3
143.03366	1.1
148.95354	0.3
157.01367	0.3
163.06102	0.4
175.20776	0.3
196.12962	0.3
205.07150	0.6
229.83397	0.3
229.85408	0.3
306.07663	0.7
363.90305	0.3
862.49799	0.3
1033.54126	0.7
1051.54871	43.0
1052.55078	10.0
1053.56104	1.1
1142.58606	0.4
1152.69226	0.3
1172.50903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.6984
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01243	0.5
85.02825	8.3
87.00764	1.0
95.01251	1.3
96.95905	0.3
99.00761	0.6
101.02328	0.3
112.01530	0.6
113.02328	6.3
115.00276	0.5
117.01894	0.3
129.01852	0.6
157.01375	0.9
175.02379	0.5
207.10202	0.4
309.20709	0.4
398.13324	0.3
437.34384	0.8
453.33652	0.7
455.35263	5.2
471.50165	0.3
509.36685	1.5
511.34158	0.3
555.37018	2.5
613.38110	0.5
631.38507	100.0
632.38879	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	113.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83599	8.2
55.01752	10.4
57.03312	37.7
60.17985	8.3
62.72897	8.0
69.03322	21.6
69.26288	28.4
69.26693	72.1
71.01270	14.6
72.00774	28.8
72.99169	9.7
77.87307	9.7
85.02827	100.0
85.79271	9.3
98.20570	17.8
113.02364	67.9
113.03029	10.5
113.03429	16.0
114.01837	28.9
114.05486	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	113.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.2
56.57879	1.0
57.03326	12.4
58.02843	2.2
64.64458	0.9
66.03365	2.9
67.01761	2.7
67.02884	1.1
68.01283	1.2
69.03333	3.1
69.45045	9.6
70.02853	26.8
71.01250	8.5
71.02383	2.9
72.00790	2.4
83.01271	2.6
84.02055	6.1
85.02826	34.8
85.03956	2.4
86.02350	4.0
86.03159	1.7
86.05958	1.0
95.01344	1.3
95.02393	21.0
96.00791	23.5
97.01618	4.8
106.42167	0.9
113.02334	12.4
113.03456	100.0
114.01891	7.3
114.03804	3.1
114.05496	79.5
125.72225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6403
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	29.3
90.38541	0.3
96.96844	2.3
152.99493	42.7
153.99805	0.3
171.00560	10.6
207.69438	0.3
227.03236	1.9
245.04291	57.0
246.04597	0.6
253.21710	27.9
254.22086	0.7
277.21466	0.3
414.51352	0.3
435.01746	0.3
468.50558	0.3
481.25726	100.0
482.26004	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	1137.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03347	0.1
83.01255	1.0
85.02821	4.3
85.99966	0.4
87.00747	3.2
87.04380	0.8
89.02319	2.2
95.01257	1.5
97.02811	0.4
98.19741	0.3
99.00752	4.4
101.02319	3.8
103.03891	0.9
111.00716	0.2
112.01568	0.3
113.02328	3.5
115.00227	0.1
115.03896	1.0
119.03403	0.7
125.02326	0.3
126.32068	0.1
131.02473	0.2
131.03395	2.2
139.00264	0.2
143.03407	2.5
143.49957	0.1
145.04967	0.3
157.01320	0.4
161.04449	0.4
163.06047	1.0
205.07106	2.0
229.80515	0.2
247.08247	0.3
368.01880	0.2
407.32230	0.2
423.32605	0.3
437.34085	0.3
453.33694	1.6
454.33698	0.2
455.35300	2.9
456.35538	0.4
481.36963	0.4
483.35037	0.2
497.36438	1.7
498.36288	0.2
509.36417	0.2
523.37909	5.2
524.38556	0.4
525.35498	0.2
551.37494	1.3
569.38422	7.8
570.38861	0.9
587.39465	1.1
613.27539	0.2
613.37488	3.2
614.37598	0.3
623.39886	0.2
641.40009	0.2
713.42682	1.8
731.43738	2.3
732.44049	0.3
775.42731	0.2
872.65173	0.2
877.48816	0.4
921.47919	0.3
939.49548	10.1
940.50049	1.0
1083.54431	1.4
1101.54871	100.0
1102.55103	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	1123.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
78.23020	0.2
78.95778	65.4
81.62050	0.2
96.96839	5.5
97.17471	0.2
150.97908	0.8
152.99493	66.7
153.99834	0.6
171.00565	16.4
182.33578	0.2
198.24809	0.2
227.03214	3.8
236.91483	0.3
243.33047	0.2
245.04291	81.1
246.04659	0.6
253.21710	43.1
254.22028	1.2
264.89877	0.3
440.66431	0.2
481.25726	100.0
482.25928	3.9
691.10712	0.3
795.22882	1.1
895.45471	0.3
1123.49023	15.4
1124.48938	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	1125.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	0.6
85.02792	0.7
89.69670	0.6
93.03349	1.3
93.33456	0.5
100.70117	0.6
116.68736	0.6
117.03367	1.3
119.98456	0.5
132.02048	0.8
135.00713	0.8
143.04987	0.6
147.04440	0.5
151.00273	6.0
153.01889	0.7
157.99820	0.6
159.04384	0.8
163.00212	1.0
164.01031	0.5
169.01337	1.3
171.04434	0.5
178.99799	2.0
182.03513	0.7
183.04417	2.5
185.02419	0.7
185.05916	0.8
187.04015	1.0
197.11569	0.7
199.03888	1.0
200.04799	0.6
211.03970	3.5
213.05553	0.8
227.03474	33.5
228.03830	1.7
229.05113	2.2
239.03542	1.2
241.04936	0.8
255.02982	83.9
256.03552	8.8
257.04620	3.8
267.08792	0.6
271.02493	0.8
277.82410	0.6
283.02490	41.6
284.03268	100.0
285.04004	37.7
286.04373	1.8
300.02600	1.0
304.12650	0.6
326.04391	1.0
327.05054	1.2
365.64032	0.6
393.06128	0.6
446.08621	3.2
623.57874	0.7
739.21161	5.3
885.27649	0.9
901.30579	2.9
903.28955	7.6
904.30139	1.2
945.30664	3.9
946.31482	0.7
963.31439	77.8
964.31543	12.0
1005.32806	1.0
1107.35437	0.9
1125.36609	39.6
1126.36987	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	1125.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.7
83.20572	0.4
93.03359	0.7
94.60924	0.4
117.03352	1.1
127.31547	0.5
132.02109	0.6
135.00731	0.8
137.09544	0.6
139.72525	0.4
151.00287	5.2
159.04398	0.9
163.00307	0.7
169.01367	1.3
178.99803	2.2
181.22296	0.5
183.04462	2.6
185.02452	0.9
187.03851	0.8
199.03880	0.7
202.31708	0.5
211.03981	3.1
212.04727	0.5
213.05537	1.4
227.03456	29.5
228.03906	1.3
229.05029	2.2
239.03534	1.2
255.02971	81.6
256.03534	7.0
257.04556	3.0
283.02484	39.7
284.03259	100.0
285.04004	34.8
286.04398	1.2
297.04019	1.1
299.01913	0.6
300.02460	0.5
309.04166	0.6
326.04312	0.7
327.05133	1.7
339.05048	0.6
357.05911	0.5
393.06195	1.1
446.08582	3.0
447.08939	0.6
575.14111	0.9
739.20941	4.9
740.21155	0.6
821.24500	0.7
901.31696	3.9
903.29504	7.5
904.29022	0.8
927.28705	0.7
945.30420	3.8
963.31384	72.6
964.31543	9.4
969.30194	0.6
1005.33795	1.0
1107.34534	1.0
1115.67871	0.6
1125.36743	37.5
1126.36914	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	1111.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
82.44630	0.2
83.01273	0.2
85.02846	1.9
87.00748	0.8
88.98681	100.0
89.02324	0.5
89.99011	0.4
93.92307	0.2
95.01266	0.6
96.95866	0.3
97.02839	0.8
99.00777	1.6
101.02325	0.5
113.02326	1.2
115.03909	0.5
125.02355	1.5
131.03412	1.4
131.04262	0.2
143.03421	0.8
205.07167	0.6
312.20981	0.2
417.65012	0.2
824.25830	0.2
837.63776	0.3
838.91760	0.3
1021.53851	45.9
1022.54132	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	1113.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01234	0.4
90.23248	0.4
107.01279	1.0
117.03342	4.6
125.02287	0.4
132.02072	2.6
133.02798	1.1
145.02855	6.9
151.00255	2.8
160.01581	4.3
161.02391	2.7
169.01392	0.5
175.03931	2.5
178.99779	0.8
183.04431	1.1
185.02318	0.4
189.13533	0.4
199.03961	1.2
211.03908	0.8
213.01753	0.4
215.03404	0.6
227.03433	10.4
230.53976	0.4
242.02185	1.9
243.02940	6.0
244.03210	0.6
245.00922	0.6
255.02968	28.3
256.03510	2.2
257.04431	1.0
270.01654	2.8
271.02475	7.9
272.02850	0.5
283.02475	13.3
284.03253	25.7
285.03964	8.5
286.04706	1.0
298.01160	0.7
298.04736	1.0
298.99301	0.4
299.01959	16.2
299.05292	1.1
300.02747	3.2
313.03601	5.0
314.04315	16.5
315.05014	5.5
341.06647	0.3
446.08313	0.6
683.57208	0.4
739.20947	1.2
769.21881	2.0
915.25641	100.0
916.25977	15.6
1077.31104	1.9
1078.32080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	1.6
85.02821	4.9
85.99969	0.9
87.00742	3.3
87.04406	0.9
89.02316	2.7
95.01258	1.4
96.95914	0.7
97.02831	2.6
98.19793	1.3
99.00755	4.5
101.02330	4.6
103.03899	1.1
111.88546	0.3
113.02334	4.5
113.61590	0.4
115.03883	1.0
119.03400	0.5
125.02322	3.4
131.03386	2.6
143.03397	2.6
163.06038	1.3
205.07120	2.3
230.50757	0.3
237.23540	0.3
244.13643	0.3
465.36719	0.4
565.39136	1.1
635.43256	0.5
725.42505	0.6
988.42694	0.4
1028.77588	0.4
1033.53162	1.8
1051.54834	100.0
1052.55054	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	1119.505
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95768	0.1
79.95612	10.3
85.02824	0.2
87.00746	0.1
89.02312	0.1
94.97972	0.2
96.95895	100.0
97.02827	0.1
97.93021	0.1
97.95842	0.2
99.00761	0.2
113.02345	0.2
114.93287	0.1
116.92760	0.2
125.02356	0.2
131.03398	0.1
143.03328	0.1
172.10835	0.1
205.07150	0.1
230.16441	0.1
772.56079	0.1
862.95264	0.1
863.12427	0.1
1021.53827	2.3
1022.54175	0.3
1059.49585	0.3
1119.50110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	0.4
96.95889	0.4
98.02311	0.3
107.01280	0.8
132.02065	4.4
133.02847	1.8
134.03612	0.8
135.04413	0.3
143.04939	0.3
145.02884	0.6
151.00270	3.0
159.04509	0.3
160.01567	9.2
161.02353	3.4
163.00259	0.5
169.01357	0.6
171.04556	0.3
175.00211	0.3
175.02498	0.5
175.03926	6.2
178.99756	0.9
183.04427	0.9
184.11198	0.3
186.03177	0.3
187.03885	0.4
198.03056	0.3
199.03929	2.4
201.01871	0.4
203.03462	0.5
211.03906	0.5
214.02721	0.7
215.03484	1.3
216.00664	0.4
227.03452	3.5
228.03767	0.3
241.01508	0.8
241.04887	0.3
242.02165	5.8
243.02963	11.0
244.03259	0.7
245.00879	1.3
254.02101	0.4
255.02966	7.7
256.03442	0.7
257.04520	1.5
270.01694	7.3
271.02469	17.9
272.02924	0.9
272.50464	0.3
283.02490	0.9
284.03226	2.4
285.04074	5.3
286.04758	1.6
287.05621	0.8
297.04074	0.3
298.01093	1.5
299.01959	33.0
300.02664	7.2
301.03339	0.4
313.03528	14.0
314.04309	33.0
315.05057	9.2
315.08276	0.2
328.05792	1.0
329.06577	1.1
356.05423	0.6
359.79654	0.3
369.06119	0.5
461.06357	0.3
476.09592	1.1
751.20740	0.8
769.21881	4.9
770.22400	0.5
783.24170	0.8
795.20227	0.6
809.21210	0.3
841.60114	0.3
945.26648	100.0
946.26965	13.0
1107.31128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
81.75829	0.2
83.01249	0.4
85.02828	5.4
85.41646	0.2
85.99960	0.6
87.00756	4.0
87.04394	1.3
89.02299	1.1
93.22604	0.2
95.01253	1.0
96.95911	0.2
97.02840	0.3
99.00758	5.6
101.02341	1.6
102.64117	0.2
103.03868	0.7
113.02335	4.3
113.30892	0.2
115.03872	1.3
125.02358	0.3
131.03403	3.2
139.00348	0.2
143.03410	2.8
145.04958	0.4
157.01343	0.5
163.06044	0.6
173.73605	0.2
205.07133	1.5
390.67035	0.2
423.32370	0.3
425.57257	0.2
437.34204	0.6
453.33893	1.8
455.35294	3.8
456.35257	0.5
481.37207	0.4
497.36508	1.6
498.36380	0.3
523.37933	3.2
524.38367	0.6
551.37341	0.9
569.38361	7.1
570.38892	0.9
587.39691	1.1
613.37512	4.7
614.37909	0.6
629.40601	0.4
647.38495	0.3
683.41583	2.3
684.41949	0.4
701.42877	3.0
702.43494	0.4
847.48682	0.4
909.48651	6.5
910.49060	0.8
1053.52722	0.6
1054.54089	0.3
1071.53833	100.0
1072.54211	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90093	2.5
55.01767	3.1
60.75243	2.0
67.01763	37.8
68.01279	4.9
68.99670	2.9
71.23300	5.2
75.22880	2.1
78.95780	100.0
83.01270	19.2
92.89927	2.3
110.89798	9.0
111.00769	92.4
111.01906	5.1
112.01102	7.6
126.63967	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	1111.33
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	1.4
85.02853	0.4
87.71274	0.4
93.03332	1.5
98.20507	0.9
107.01276	3.7
108.01971	0.5
113.02330	0.5
117.03379	0.9
119.04918	2.9
121.02841	1.2
122.03618	1.5
123.04430	1.0
125.02351	2.0
132.02074	2.7
133.02869	2.6
135.00777	1.4
135.04442	0.5
143.04950	0.6
145.02901	0.9
149.02342	1.8
150.03134	7.0
151.00282	8.0
151.03810	0.4
152.01013	0.5
155.04866	0.9
159.04396	0.7
160.01598	2.7
161.02348	6.0
163.00275	1.2
164.01056	0.9
164.04640	0.5
165.05496	4.6
169.01323	1.9
171.04384	0.5
175.03946	2.4
177.01833	0.9
178.99763	1.9
183.04440	3.9
185.02354	1.4
187.03909	1.8
195.06543	0.7
195.96434	0.5
199.03970	1.0
200.04695	0.7
210.03082	0.4
211.03935	3.1
213.01779	0.5
213.05463	0.5
227.03461	47.8
228.03844	1.9
229.05000	1.4
239.03467	1.0
241.05000	0.5
243.06557	1.4
253.05046	2.3
255.02979	100.0
256.03592	8.5
257.04504	2.0
269.04623	0.6
271.06088	12.1
283.02490	24.7
284.03268	84.8
285.03964	16.7
286.04337	1.0
298.04959	3.0
299.02292	0.8
299.05609	2.7
300.02826	0.5
327.05209	0.5
389.18277	1.4
393.06390	0.6
433.11395	15.5
514.40479	0.6
721.19812	0.6
739.21478	2.2
753.22321	2.0
779.20093	0.9
885.24756	0.9
913.24286	3.3
914.24506	2.9
915.25647	45.1
916.25610	6.6
929.26990	1.4
969.26581	3.6
1063.31628	2.5
1064.29651	0.6
1093.32056	2.0
1111.33020	48.7
1112.33447	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	1107.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.5
96.38047	0.2
107.01217	1.2
117.03349	0.3
124.01570	0.3
132.02075	6.4
133.02888	2.0
134.03647	0.7
135.04410	0.4
143.04929	0.3
143.27007	0.2
145.02881	0.4
147.00778	0.3
148.01601	0.2
151.00266	4.0
152.01053	0.4
155.04936	0.7
157.02876	0.3
159.04404	0.4
160.01573	12.5
161.02365	4.4
163.00249	0.4
164.01129	0.2
169.01352	0.5
171.04395	0.4
175.00378	0.3
175.03925	7.5
176.01071	0.3
178.99797	1.0
183.04451	1.4
185.02324	0.4
186.03104	0.4
187.03912	0.5
189.01898	0.2
190.02629	0.4
191.03178	0.3
198.03226	0.3
199.03929	4.1
201.01897	0.9
202.02760	0.2
203.03519	0.5
211.03937	0.9
214.02654	1.0
215.03441	1.6
227.03438	4.6
229.01385	0.3
234.07518	0.2
241.01404	1.3
242.00272	0.1
242.02171	7.6
243.02960	13.0
244.03436	0.7
245.00906	2.3
254.02260	0.3
255.00246	0.3
255.02963	9.2
256.03485	1.1
257.04489	1.8
270.01688	9.3
270.04623	0.5
271.02478	21.4
272.02911	1.2
282.01807	0.3
283.02472	1.4
284.03302	2.3
285.04022	7.0
286.04724	1.8
287.05536	0.4
298.01147	1.5
299.01968	39.7
300.02649	8.2
301.02985	0.3
313.03540	16.1
314.04306	35.7
315.05042	10.8
316.05219	0.5
328.06128	1.0
328.09329	0.2
329.06619	0.6
339.04971	0.3
357.05954	0.3
405.06433	0.2
417.66632	0.3
461.07388	0.5
476.09943	1.2
605.14874	0.3
751.20654	0.6
769.22021	4.2
770.22144	0.6
783.23590	0.8
795.19727	0.8
809.22559	0.4
901.24805	0.4
917.24701	0.3
945.26666	100.0
946.27014	16.5
987.27362	0.4
1035.87769	0.3
1107.31335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01270	0.5
91.01775	0.2
95.01258	0.1
95.21516	0.1
101.03850	0.2
104.50449	0.1
107.01267	1.2
108.02166	0.1
124.01554	0.2
125.02360	0.2
131.01338	0.2
132.02069	6.4
133.02863	1.4
134.03604	0.8
135.00743	0.2
135.04430	0.2
143.04947	0.4
145.02881	0.6
147.00786	0.2
149.05991	0.2
151.00272	4.2
152.00996	0.5
155.04956	0.3
155.91519	0.1
156.98538	0.1
157.02843	0.3
158.03529	0.2
159.04437	0.3
160.01578	13.8
161.02361	3.4
163.00302	0.4
164.01077	0.3
165.01886	0.2
167.04898	0.2
169.01343	0.6
169.02719	0.1
171.04427	0.6
173.02434	0.2
174.03177	0.2
175.00357	0.2
175.03928	8.1
176.04372	0.2
178.99814	1.5
182.03558	0.2
183.04414	1.2
185.02386	0.4
186.03168	0.4
187.03925	0.5
189.01849	0.2
193.05000	0.2
198.03146	0.5
199.03949	3.6
200.04344	0.3
201.01917	0.5
203.03423	0.5
211.03941	0.5
213.01793	0.3
214.02657	0.9
215.03430	1.6
216.04094	0.2
217.32224	0.1
218.02115	0.2
226.02661	0.6
227.03473	4.3
228.03999	0.3
229.01271	0.2
241.01443	1.2
242.02180	7.6
243.02956	15.1
244.03482	0.7
245.00911	1.8
246.01173	0.2
254.02194	0.3
255.02963	7.2
256.03516	0.5
257.04544	2.0
270.01691	10.2
271.02469	21.9
271.89954	0.1
272.03003	1.3
282.01636	0.2
283.02405	0.6
284.03210	0.9
285.04034	6.3
286.04727	1.9
287.05472	0.7
298.01227	2.0
299.01968	42.9
300.02676	8.0
301.03232	0.3
312.02765	0.2
313.03543	18.3
314.04306	37.9
315.05060	11.9
316.05481	0.5
324.02563	0.2
327.05106	0.2
328.05789	0.8
329.06683	0.8
339.04935	0.3
341.02957	0.2
356.05386	0.4
357.06140	0.5
369.06268	0.2
381.06226	0.2
423.07111	0.2
461.07242	0.3
476.09686	1.2
477.09967	0.2
498.53412	0.2
605.14264	0.2
751.20770	0.6
769.22034	5.8
770.22375	0.5
783.23657	1.1
795.19702	0.8
809.20337	0.2
945.26660	100.0
946.26953	11.6
987.27954	0.4
1107.31470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6182
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	6.2
82.26585	0.2
95.43454	0.2
96.95869	0.3
98.20645	0.4
110.98421	4.5
131.04532	0.2
152.99399	0.4
167.01088	1.0
185.02138	4.5
186.02507	0.2
199.83482	0.2
223.92213	0.2
229.57956	0.2
233.22916	0.3
259.20734	0.6
270.79935	0.2
272.61050	0.2
275.20190	0.8
277.21719	100.0
278.22064	5.1
295.11707	0.2
445.23602	45.8
446.23889	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	1099.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	10.2
83.04861	0.2
96.95870	0.5
99.92450	0.6
104.97338	0.3
110.98411	6.0
116.92755	3.2
117.01823	0.2
118.27141	0.2
127.07550	0.3
150.00882	0.2
152.99471	0.5
157.53345	0.2
167.01065	4.4
167.34651	0.2
179.96942	0.2
185.02110	3.5
243.00749	0.2
256.58917	0.2
259.20651	0.6
275.20132	0.7
277.21716	100.0
278.22055	5.2
280.25095	0.2
308.66205	0.2
357.86572	0.2
441.83569	0.2
442.48901	0.2
445.23599	55.0
446.23932	3.7
450.81717	0.3
1097.81775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
80.91557	4.4
83.01263	3.5
85.02829	11.7
85.99992	1.0
87.00736	5.2
87.04396	1.7
89.02321	2.0
95.01279	1.6
97.02833	5.5
98.19833	1.6
99.00761	8.1
101.02327	2.7
111.00754	1.0
112.01518	1.8
113.02330	10.6
125.02351	17.5
126.98808	0.8
131.03398	5.6
143.03401	3.5
153.01602	0.9
179.79099	0.9
205.07137	2.6
354.75912	1.0
380.44077	0.8
565.38696	2.2
621.37183	0.9
747.40826	15.8
748.40912	1.9
765.41278	1.4
897.46460	16.5
898.46033	2.2
1021.53864	65.5
1022.54199	14.8
1043.52002	100.0
1044.52234	20.3
1087.50891	2.7
1103.54028	8.2
1104.53540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.6512
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01301	1.2
85.02856	5.1
89.02347	2.3
95.01266	1.6
95.77469	0.9
99.00748	4.6
101.02334	3.5
103.86771	1.0
113.02322	3.6
229.94487	1.2
309.43433	1.0
453.33658	4.5
455.35358	2.1
537.35699	1.2
569.38513	4.2
613.37561	2.7
793.43787	100.0
794.44153	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	1105.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.6
85.02831	7.8
85.12475	0.4
87.00838	0.5
94.82890	0.3
95.01252	1.0
96.95877	0.7
99.00748	0.6
99.04404	1.0
101.02287	0.5
111.00777	0.5
113.02336	4.3
115.00230	0.5
143.68047	0.4
157.01381	0.7
175.02373	0.6
222.67093	0.4
296.03207	1.3
311.05533	0.6
392.66919	0.4
437.33917	0.6
455.35370	3.8
497.36331	1.5
509.36444	1.1
511.34518	0.5
555.36530	0.5
569.38495	7.4
570.38959	1.1
587.39508	0.6
613.37781	1.1
621.11896	0.4
631.38501	7.1
632.39008	0.6
653.77911	0.5
673.39490	0.5
766.79724	0.5
793.43799	100.0
794.29309	0.8
794.44122	13.3
925.52161	2.4
1069.56201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
79.11822	0.7
82.64156	0.7
83.01275	3.0
85.02827	13.4
85.99976	1.0
86.04675	0.7
87.00745	7.5
87.04398	1.8
89.02316	10.7
95.01288	3.8
95.37585	0.8
95.87280	0.7
96.95873	1.6
97.02854	1.1
99.00757	10.4
101.02335	13.4
103.03926	1.5
113.02332	8.7
115.03885	2.1
119.03356	1.1
125.38914	0.8
131.03401	4.6
143.03413	4.9
145.05011	1.0
157.01382	0.8
161.04492	1.1
163.06033	3.3
205.07198	4.3
287.78989	0.8
294.45859	0.9
309.20917	0.9
327.21912	1.0
357.50424	0.8
397.13193	1.1
523.37903	3.9
524.38525	1.1
593.42096	1.7
755.43365	1.2
793.44342	1.1
991.53131	2.2
1009.53809	68.9
1010.54504	12.4
1010.74921	0.8
1081.56335	2.3
1099.56995	100.0
1100.57434	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	1099.269
Annotation	Unknow
Peak:m/z	Relative Intensity
93.42608	0.7
107.01257	1.5
109.56181	0.8
117.03336	2.6
145.02840	1.8
145.86133	1.0
151.00275	4.3
171.04431	1.0
175.00279	0.9
175.03847	1.1
178.99789	2.4
199.03883	4.1
215.03355	2.3
227.03445	3.8
243.03001	6.9
254.02354	1.1
255.03008	10.0
256.03415	1.5
271.02469	74.7
272.02899	4.2
282.01596	1.4
283.02402	1.2
284.03162	3.9
285.03906	2.2
299.01965	100.0
300.02698	50.2
301.03433	12.3
313.03174	1.0
393.16537	1.1
462.08066	17.5
463.08673	1.9
755.20416	3.8
781.17786	1.2
901.24188	33.5
902.23822	4.1
917.26117	5.5
937.29584	1.1
943.24390	1.5
1063.29333	65.1
1064.29492	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	1097.679
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95316	0.3
78.95778	5.3
78.98425	0.1
79.95586	0.4
80.96394	1.6
94.97940	0.4
96.95885	0.5
101.02264	0.2
109.18172	0.2
127.55256	0.2
132.83701	0.2
152.99550	1.0
158.94508	0.2
164.98557	0.4
168.04199	1.4
220.97963	0.1
224.06900	1.3
225.00722	0.7
242.07922	2.4
261.22281	0.6
272.65814	0.2
279.23285	100.0
280.20715	0.3
280.23648	5.0
293.92706	0.2
363.93448	0.2
384.94327	0.2
459.24612	0.2
504.30984	71.7
505.31351	4.7
519.27252	0.7
577.26837	2.8
577.35107	0.2
578.27161	2.3
578.34894	1.6
579.26801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.8
85.02816	3.5
89.02324	2.3
95.01275	1.0
96.95885	1.2
99.00764	4.6
101.02327	1.3
113.02326	2.9
119.22076	0.6
139.00206	0.6
149.28160	0.5
157.01306	0.6
199.85374	0.5
207.10368	0.5
313.16318	0.5
379.71152	0.5
437.34122	0.6
453.33832	3.1
455.35324	6.4
455.41135	0.8
456.35486	0.7
497.36319	1.8
537.36133	1.1
551.37457	1.7
567.37433	0.6
569.38470	5.9
570.39563	0.7
587.39648	1.3
593.46808	0.5
613.37457	8.1
614.37585	0.7
642.68689	0.5
701.42773	0.8
763.42749	100.0
764.43121	8.1
785.41064	4.3
865.00494	0.5
865.17389	0.5
1095.62781	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	1095.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
84.25624	0.9
87.37592	0.9
93.03326	1.3
95.11778	0.8
102.05862	1.0
105.69404	1.1
107.01262	4.4
109.87887	1.0
111.90239	1.0
117.03345	3.4
119.04935	1.1
121.02847	14.5
133.02795	2.7
136.01544	3.3
143.04900	1.5
145.02850	4.3
151.00288	9.7
151.03897	1.3
155.05020	1.3
159.04373	1.3
160.01546	3.1
161.02324	2.8
163.00304	2.2
164.01068	1.2
169.01477	1.3
169.29985	1.1
175.03925	1.7
178.99734	2.9
183.04385	3.7
187.03990	1.8
193.01309	1.5
199.03951	5.1
203.03400	1.1
211.03912	2.7
214.02586	1.2
215.03394	2.3
227.03461	30.8
228.03810	1.1
229.05081	1.4
241.01537	1.3
242.02170	7.8
243.02965	18.8
244.03613	1.3
245.00894	1.5
255.02968	80.6
256.03494	6.6
257.04593	5.0
270.01691	9.2
271.02478	41.1
272.02887	8.3
273.03076	2.5
283.02472	37.0
284.03253	70.0
285.03995	22.3
286.04642	1.5
287.02097	1.4
298.01102	2.1
299.01984	61.6
300.02573	27.0
301.03152	7.2
302.03510	1.5
313.03564	18.4
314.04333	48.4
315.01645	2.2
315.05038	12.0
316.05463	1.3
339.05118	1.1
399.63507	1.2
433.09326	3.4
446.08353	2.3
461.07700	2.3
462.07953	3.0
463.08087	1.5
476.09473	2.4
477.06497	1.3
739.21021	8.1
755.19922	1.6
757.20898	1.3
769.21869	9.0
781.21936	100.0
782.22345	6.1
811.23035	85.5
812.23615	4.8
915.25714	45.0
915.39905	0.9
916.26660	3.5
917.25256	2.8
918.25873	1.4
932.24567	3.3
933.26349	33.2
934.26257	2.9
1077.27966	1.3
1095.30908	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	1093.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
78.73706	0.4
83.01289	0.7
83.40144	0.4
86.93597	0.4
87.00751	0.4
93.03343	0.7
93.24464	0.3
105.84530	0.4
107.01272	2.5
108.02050	1.3
123.04373	0.7
132.02055	1.7
135.00745	1.2
143.04880	0.5
145.02934	0.9
146.03641	0.4
151.00270	4.3
152.01048	0.8
158.03624	0.6
159.04378	0.9
163.00302	0.9
164.01085	0.6
169.01334	1.2
171.04372	0.6
173.02393	1.7
174.03145	5.6
178.99799	1.7
182.03650	0.5
183.04460	2.5
185.02383	1.3
185.05948	0.6
187.03883	1.4
188.04704	1.0
189.05583	0.4
195.04398	0.6
199.03854	0.8
200.04724	0.6
202.02621	1.6
203.03513	0.5
206.02118	0.7
209.06081	0.4
211.03922	2.9
212.04854	0.5
213.05417	0.4
214.02710	0.6
215.03448	1.3
217.04988	1.1
221.06064	0.6
227.03456	50.6
228.03799	2.4
229.04997	2.9
237.05592	0.9
239.03394	1.5
239.07135	0.5
241.04874	0.7
247.04060	0.4
248.04837	0.4
249.05560	1.1
255.02974	100.0
256.03595	9.4
257.04517	2.3
264.04074	0.5
265.05099	1.7
266.05652	0.6
267.06671	0.8
271.02652	0.4
277.04950	1.0
278.05655	0.5
279.06564	0.7
281.04633	0.7
283.02490	7.7
283.05673	0.7
284.03262	96.8
285.03964	18.3
285.07190	0.9
286.04456	0.9
293.04614	2.1
294.05475	0.8
298.04788	2.1
299.02115	0.9
299.05554	1.6
300.02505	0.5
304.07236	0.5
305.04529	0.8
306.05368	0.9
308.06897	3.3
309.07623	2.6
320.06842	0.7
321.07693	0.9
323.05737	0.6
323.09216	4.4
326.03973	0.5
353.10379	2.9
393.06357	0.5
630.10034	0.4
721.20190	1.1
739.21051	6.7
740.21478	0.5
753.22760	1.0
765.19019	1.2
957.26740	5.6
958.27020	0.5
1063.30896	30.8
1064.30823	4.6
1075.30884	66.7
1076.31238	10.6
1093.31836	15.6
1093.73511	0.8
1094.33472	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	1093.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01302	0.9
96.44229	0.6
104.53173	0.6
107.01285	1.7
109.02848	1.0
116.62038	0.7
132.02089	1.0
133.02876	2.5
151.00282	5.4
160.01625	1.5
161.02364	3.6
165.98988	0.7
169.01328	0.8
171.04413	1.3
174.24763	0.6
175.00204	0.8
175.03894	2.2
178.99741	2.6
191.03448	0.9
199.03917	4.7
201.01891	1.1
215.03485	2.7
226.02739	1.2
227.03485	5.7
242.02223	1.2
243.02997	6.7
254.02185	1.1
255.02953	12.0
256.03647	1.0
270.01556	1.3
271.02478	71.0
272.02856	4.3
283.02567	2.3
284.03299	4.6
285.04050	2.6
299.01978	100.0
300.02701	37.8
301.03470	10.2
313.03604	1.2
314.04184	4.2
315.01773	1.0
315.05136	2.3
462.08014	15.5
463.08536	1.9
472.69778	0.7
530.65424	0.7
630.29553	0.7
739.21216	2.2
755.20227	7.0
769.22345	3.1
917.25562	9.3
918.26245	1.3
931.25116	49.2
932.25812	8.1
1093.30334	41.9
1094.30615	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	1093.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
82.89059	1.4
83.01273	2.2
92.59008	1.6
107.01285	2.9
109.99957	1.4
132.02072	2.6
133.02849	18.1
135.04460	1.9
151.00262	8.9
160.01524	2.6
161.02368	21.9
171.04333	1.6
175.00334	1.8
175.03984	3.2
178.99802	3.9
187.03889	2.9
190.99826	1.7
199.03941	5.7
201.01865	1.7
215.03548	2.3
225.85849	1.6
227.03490	8.6
242.02235	3.6
243.02919	12.6
244.03458	1.6
255.02985	18.1
256.03427	2.5
270.01654	3.2
271.02472	86.3
272.02933	4.0
283.02448	4.6
284.03268	9.6
285.04034	5.6
292.08713	1.4
299.01981	100.0
300.02679	44.4
301.03537	11.0
313.03650	7.1
314.04337	17.0
315.04987	7.0
367.72409	1.5
401.39551	1.5
401.70718	1.4
462.08142	17.0
463.08661	2.0
620.09918	1.5
739.20917	2.6
755.20428	6.1
769.22009	6.7
917.25684	7.5
931.25171	76.8
932.26019	8.2
1093.30530	43.9
1094.30713	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	1093.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
75.85590	0.3
83.01266	0.7
87.95427	0.3
96.86662	0.3
97.44996	0.3
99.44293	0.2
107.01265	1.8
108.02048	0.4
109.02840	1.1
110.00057	0.4
116.19418	0.3
121.02864	0.7
132.02077	1.0
133.02863	2.8
134.03615	0.3
135.00757	0.4
143.04916	0.7
145.02856	0.4
147.00795	0.4
148.01570	0.5
149.02353	0.4
151.00279	5.9
155.04890	0.4
157.02895	0.5
160.01558	2.1
161.02350	3.8
163.00339	0.3
165.98988	0.7
169.01416	0.5
169.02751	0.4
171.04378	1.6
174.30412	0.3
175.00201	0.6
175.03946	2.3
175.05202	0.4
176.01044	0.4
178.99831	2.3
183.04367	0.9
185.02316	0.3
187.03944	1.3
189.05424	0.4
197.02402	0.4
198.03098	0.6
199.03935	5.2
201.01923	1.4
203.03426	0.7
211.04042	0.8
213.01758	0.3
215.03409	2.9
216.04208	0.4
226.02704	1.4
227.03453	6.5
228.03876	0.4
229.01355	0.5
229.04842	0.4
241.05132	0.3
242.02188	1.1
243.02977	8.5
244.03534	0.5
254.02206	0.8
255.02956	14.9
256.03445	1.6
270.01736	0.5
271.02475	82.0
272.02844	4.5
273.03976	0.4
282.01767	0.6
283.02509	1.8
284.03201	3.8
285.03876	1.8
297.03903	0.4
299.01962	100.0
300.02704	38.9
301.03464	10.5
302.03906	0.4
313.03317	0.7
314.04248	2.3
315.04959	1.7
329.02927	0.4
330.03741	0.4
343.04431	0.5
359.95767	0.3
461.07254	0.7
462.08051	15.0
463.08548	2.1
471.60043	0.3
489.10587	0.4
656.14258	0.3
737.19470	0.5
739.21216	0.9
755.20294	6.9
756.20105	0.6
769.22198	3.2
770.21667	0.4
781.18683	1.0
795.20392	0.5
840.35956	0.4
912.31317	0.3
916.26160	0.5
917.25677	9.5
918.26459	1.1
930.25586	0.5
930.77466	1.7
931.25134	46.0
932.25610	5.2
943.22797	0.5
945.26550	0.3
1093.30359	44.7
1094.30664	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	1093.304
Annotation	Unknow
Peak:m/z	Relative Intensity
76.66801	0.2
83.01263	0.5
93.03342	0.2
97.33643	0.2
98.20673	0.5
107.01266	1.5
108.02065	0.5
109.02865	0.9
117.03358	0.3
119.04895	0.3
121.02842	0.5
123.00758	0.3
132.02060	0.8
133.02835	2.3
134.03595	0.3
139.00249	0.2
143.04950	0.5
145.02840	0.6
147.00899	0.2
147.04410	0.3
148.01614	0.5
149.02350	0.3
151.00276	5.4
155.04980	0.4
159.04405	0.3
160.01530	1.4
161.02353	3.6
163.00299	0.5
164.00954	0.3
169.01523	0.5
169.02841	0.3
171.03104	0.3
171.04399	1.5
173.02336	0.3
175.00307	0.7
175.03947	1.7
176.01077	0.2
178.99782	2.2
183.04407	0.6
187.03940	0.9
189.05453	0.3
189.55263	0.2
192.00490	0.3
193.01250	0.2
193.27953	0.2
197.02348	0.4
198.03151	0.4
199.03931	4.4
201.01851	1.0
203.03452	0.7
211.03990	0.3
214.02629	0.2
215.03452	2.6
226.02647	1.1
227.03442	4.5
228.03828	0.4
229.01180	0.3
230.02072	0.3
230.27214	0.4
241.01389	0.4
242.02235	1.3
243.02965	6.8
244.03397	0.7
245.01015	0.2
254.02107	0.4
255.02962	8.8
256.03391	0.5
258.01678	0.3
259.02423	0.3
270.01682	0.8
271.02472	70.7
272.02878	3.8
273.03940	0.3
282.01767	0.3
283.02435	0.8
284.03232	1.6
285.03812	1.1
286.01083	0.3
287.01947	1.1
298.01260	0.4
299.01956	100.0
300.02689	38.5
301.03452	9.1
302.04004	0.6
313.03424	1.7
314.04266	4.3
315.01599	0.4
315.04977	2.0
329.03076	0.5
330.03763	1.0
331.04483	0.3
341.04996	0.4
342.04080	0.3
343.04272	0.3
461.07391	0.9
462.08014	14.4
463.08755	1.8
737.18579	0.5
739.21063	0.7
755.20282	5.4
756.21240	0.3
769.21979	4.6
770.22614	0.6
781.18475	0.9
785.21094	0.2
795.20453	0.8
915.26447	0.4
917.25830	7.4
918.26141	0.7
930.24170	0.3
931.25104	40.5
932.25256	4.9
943.24042	0.6
945.25220	0.3
946.28491	0.3
1068.38452	0.3
1093.30371	41.7
1094.30615	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	1093.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
79.37245	0.1
83.01253	0.5
88.63351	0.1
91.01765	0.2
93.03301	0.2
107.01283	1.5
108.02083	0.4
109.02876	0.6
117.03359	0.2
119.01313	0.1
119.04900	0.2
121.02813	0.4
123.00795	0.2
124.01553	0.1
125.02393	0.2
131.04884	0.2
132.02058	1.0
133.02858	2.6
135.00737	0.3
135.04459	0.2
139.00264	0.1
143.04935	0.5
145.02834	0.4
147.00787	0.4
147.04405	0.2
148.01553	0.3
149.02336	0.4
151.00285	4.8
152.01039	0.2
155.04932	0.3
157.02914	0.3
158.07506	0.1
159.04370	0.2
160.01572	1.6
161.02365	3.9
163.00267	0.5
163.03883	0.2
164.01096	0.3
169.01396	0.8
171.04378	1.1
173.02400	0.3
174.03250	0.1
175.00291	0.6
175.03909	1.6
178.99773	1.8
183.04411	0.5
185.02417	0.3
187.03937	0.9
190.99765	0.2
192.00702	0.2
193.01283	0.2
197.02380	0.3
198.03134	0.2
199.03929	4.3
200.04227	0.2
201.01891	1.3
203.03444	0.7
211.03957	0.4
214.02618	0.4
215.03455	2.1
216.04083	0.3
225.02032	0.2
226.02609	0.9
227.03458	4.3
228.03876	0.3
229.01357	0.2
241.01276	0.3
242.02209	0.8
243.02968	6.3
244.03439	0.3
254.02176	0.9
255.02960	8.3
256.03339	0.6
270.01663	0.4
271.02478	66.4
272.02884	3.9
273.03903	0.3
282.01614	0.3
283.02484	0.5
284.03287	1.3
285.03949	0.7
287.01950	0.3
297.04318	0.2
298.01178	0.3
299.01965	100.0
300.02695	38.7
301.03464	10.2
302.03842	0.4
313.03476	0.9
314.04236	1.7
315.01669	0.2
315.04987	1.3
321.25931	0.2
325.03644	0.3
329.03180	0.2
330.03726	0.3
341.04977	0.2
342.03809	0.3
343.04691	0.4
461.07056	0.7
462.08041	14.0
463.08655	1.5
489.10211	0.3
737.19708	0.3
755.20331	4.7
756.21155	0.3
769.21967	2.1
781.18060	0.7
785.20636	0.2
795.20734	0.2
917.25757	5.6
918.26587	0.6
931.25110	26.6
932.25482	3.0
943.24664	0.3
1093.30334	31.4
1094.30737	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	1093.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
81.46356	1.2
107.01274	3.5
109.99965	3.4
117.03347	7.2
125.02469	1.1
128.06255	1.5
131.13408	1.3
132.02072	3.0
133.02872	12.9
135.04434	1.5
139.00272	3.8
145.02879	7.6
151.00270	10.9
159.04495	1.8
161.02350	18.2
165.99028	3.8
169.01363	1.8
171.04491	1.9
178.99756	5.1
185.02338	1.5
187.03952	4.5
194.99356	1.4
199.03905	6.2
201.01898	1.8
214.02757	1.7
215.03404	5.1
227.03520	7.3
228.03870	1.8
239.03397	1.2
241.01459	1.3
242.02188	6.3
243.02962	12.1
245.00847	1.9
255.02998	15.4
258.01605	3.9
259.02490	6.2
270.01596	7.5
271.02478	65.2
272.02875	4.7
273.04050	1.7
283.02628	2.4
284.03217	7.2
285.03937	9.7
286.01163	7.6
287.02020	18.3
298.01035	2.2
299.01956	78.9
300.02686	35.2
301.03491	16.0
302.04361	6.2
313.03586	12.1
314.04306	24.7
315.01471	10.2
315.05130	8.2
316.02161	3.1
329.02853	7.3
330.03864	17.3
331.04507	6.0
462.07700	2.3
638.12592	5.9
639.13568	1.7
642.01044	1.3
755.20331	18.5
769.21619	9.9
770.21936	1.5
785.21527	3.2
803.19452	1.7
810.20990	1.6
915.63586	1.6
930.25134	2.2
930.75995	4.1
931.25128	100.0
932.25543	12.6
1031.01184	1.7
1093.30371	44.4
1094.30408	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
75.36840	0.5
81.91201	0.5
83.01255	1.2
85.02820	5.0
85.99973	0.8
86.47288	0.4
87.00738	3.0
87.04395	0.6
89.02322	8.3
89.87864	0.5
95.01257	1.0
96.95882	3.0
99.00764	8.1
100.85812	0.4
101.02328	5.0
103.03886	0.5
106.87328	0.5
113.02320	4.2
114.15158	0.5
115.00220	0.8
115.03923	0.5
120.01012	0.5
124.06631	0.5
131.03401	2.0
134.03619	0.7
139.00310	0.5
143.03395	1.7
149.04478	0.6
150.03082	0.9
151.00311	0.9
157.01350	0.5
163.06073	0.7
195.06577	0.6
205.07143	0.8
209.73804	0.5
255.02946	1.2
284.03250	1.7
301.07187	2.0
306.07739	0.6
345.82361	0.5
357.13562	0.7
451.15594	0.5
460.65576	0.5
490.51593	0.5
506.47232	0.5
603.39185	0.9
671.41931	1.4
761.41284	2.9
1025.52820	1.1
1069.52246	1.7
1087.53333	100.0
1088.53748	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	1087.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
80.06232	0.3
83.01252	1.1
83.18172	0.2
85.02826	7.2
85.99960	0.7
87.00744	3.6
87.04401	0.5
89.02319	2.7
95.01263	1.8
96.95889	0.6
97.02857	0.3
99.00763	8.0
99.04426	0.3
101.02322	3.6
112.00237	0.3
112.01509	0.3
113.02336	6.2
115.00240	0.3
115.03898	0.5
119.03421	0.6
131.03404	2.2
134.03595	0.3
137.52634	0.2
139.00247	0.3
143.03387	1.7
145.02840	0.3
145.04959	0.3
157.01352	0.6
161.04388	0.3
165.05504	0.5
191.05493	0.6
193.04984	0.3
195.06656	0.3
204.97679	0.2
205.07137	0.8
238.85915	0.3
255.03001	0.3
410.97293	0.3
423.32837	0.9
439.31940	0.6
453.33722	1.0
455.35208	3.6
456.35788	0.7
469.33231	0.8
471.35159	2.8
497.36423	0.8
523.37769	1.7
551.37604	0.7
567.37018	0.5
569.38544	3.9
585.37762	1.8
587.39935	1.0
613.37451	3.0
614.38190	0.6
629.36993	2.7
630.37646	0.4
659.42035	0.3
699.41345	0.7
717.42358	0.8
731.43604	0.6
763.42529	0.4
793.43317	2.1
925.48950	2.0
926.48663	0.4
932.80267	0.3
1057.56348	0.3
1058.55933	0.5
1069.50842	0.3
1087.53357	100.0
1088.53589	21.2
1095.26721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00746	4.7
76.88670	0.1
78.69942	0.1
79.95613	0.2
83.01255	0.9
85.02822	6.9
85.99977	1.1
87.00753	5.2
87.04387	1.4
89.02322	1.7
92.05039	0.1
95.01257	1.3
96.95870	0.7
97.02831	0.3
99.00758	9.9
99.04370	0.2
101.02316	2.2
103.03894	0.7
111.00750	0.4
112.01511	0.3
113.01530	0.2
113.02333	5.1
115.00234	0.4
115.03918	1.7
125.02345	0.3
129.01787	0.2
131.03400	4.3
139.00264	0.5
139.03894	0.1
143.03409	2.9
145.04942	0.4
154.11212	0.1
157.01299	0.9
163.06007	0.6
190.48758	0.2
205.07108	1.8
247.08063	0.2
276.83023	0.1
287.22269	0.2
405.31677	0.4
423.32715	2.5
424.33054	0.3
431.51962	0.1
439.32135	0.3
451.32202	1.1
452.32651	0.2
453.34442	0.2
469.33237	8.3
470.33139	0.7
479.31519	0.4
483.34842	0.3
495.34946	0.2
499.34030	0.2
511.34174	0.9
523.34467	0.2
537.35956	1.1
551.33752	0.6
555.36957	0.2
565.35339	1.3
583.36401	8.2
584.36963	0.9
597.38171	0.4
601.37311	1.3
625.37848	0.3
627.35388	5.2
628.35553	0.6
643.14014	0.1
643.38434	0.5
675.90497	0.2
697.39557	3.0
698.40106	0.5
715.40656	2.8
716.41071	0.4
733.41473	0.6
789.40845	0.7
861.46283	1.3
879.46228	0.2
886.24707	0.2
905.45203	0.4
923.46478	10.1
924.46533	1.1
965.48352	0.2
981.47247	0.2
1067.50403	0.9
1085.51721	100.0
1086.52075	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	1084.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00747	3.7
83.01244	1.0
85.02827	6.1
85.99974	0.6
87.00755	3.7
87.04385	0.9
89.02317	1.9
93.97911	0.2
95.01248	0.9
97.02815	2.0
98.19826	0.3
99.00756	5.2
99.04391	0.2
101.02316	1.8
103.03857	0.7
111.00763	0.4
113.02325	4.4
115.00240	0.3
115.03867	1.3
117.27109	0.3
119.03362	0.3
121.29903	0.2
125.02339	4.6
127.03915	0.3
131.03407	4.2
139.00343	0.2
143.03400	3.0
145.04955	0.5
157.01302	0.4
163.06036	0.8
167.79346	0.2
188.19872	0.2
189.04008	0.3
196.54671	0.2
205.07104	1.9
317.10339	0.3
465.37250	0.4
500.96414	0.2
534.01868	0.2
565.38989	0.9
635.43066	0.4
863.11865	0.3
921.53522	0.3
958.84546	0.3
1003.52997	0.9
1021.53778	100.0
1022.54016	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	1083.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
83.85738	0.8
107.01269	0.8
117.03358	7.7
135.99431	0.6
145.02866	13.5
151.00298	2.6
163.00246	1.2
165.01804	0.7
169.01244	0.7
178.99802	1.1
183.04462	1.4
199.03902	0.7
211.03935	2.1
213.05803	0.7
223.20222	0.6
227.03453	20.0
228.03792	1.4
255.02971	45.5
256.03571	5.3
257.04453	1.5
271.02466	1.3
282.99457	1.3
283.02481	21.3
284.03268	64.4
285.04004	14.3
299.01913	2.0
300.02682	0.8
446.08493	1.8
543.49524	0.7
672.14191	0.8
739.20923	3.2
832.08289	0.7
885.24591	100.0
886.25122	10.3
921.27063	1.1
1047.30249	3.6
1083.30481	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	1081.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00750	5.8
78.99249	0.3
81.03320	0.5
83.01253	2.1
85.02827	11.8
85.99981	0.8
86.03128	0.3
87.00751	6.1
87.04379	1.0
89.02340	3.1
95.01257	2.9
95.85739	0.3
96.95885	0.8
97.02818	2.0
99.00163	0.6
99.00761	8.5
100.93890	0.3
101.02322	5.9
103.03869	1.2
111.00774	0.7
112.01551	0.4
113.02337	7.9
115.00253	0.4
115.03887	1.3
118.51617	0.3
119.03395	0.7
122.74551	0.3
125.02332	3.2
131.03410	2.9
139.00278	1.1
143.03421	3.5
143.04454	0.6
145.04997	0.7
157.01344	1.0
161.04451	0.6
163.06084	1.9
175.74867	0.3
205.07060	1.6
306.07620	0.6
393.31955	0.3
481.34473	0.4
737.38300	0.4
747.42902	0.4
755.40485	0.8
893.49353	1.0
940.44043	0.4
1041.22949	0.4
1063.52173	1.7
1081.52295	100.0
1082.52539	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	1081.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00753	3.3
75.52364	0.3
83.01272	2.8
85.02822	8.4
85.99950	1.1
87.00761	5.1
87.04389	0.9
89.02334	2.2
95.01270	2.0
96.95866	0.6
97.02831	1.7
99.00757	9.5
101.02331	6.5
101.02935	0.8
103.03893	0.5
111.00767	0.6
112.01544	0.8
113.02330	5.3
115.03920	2.0
119.03374	0.5
125.02339	2.4
131.03442	2.4
135.65028	0.4
143.03407	7.6
157.01279	0.6
163.06046	0.9
177.55067	0.4
205.07085	1.5
224.29030	0.4
273.91367	0.4
371.05664	0.4
390.83948	0.4
453.33890	1.0
469.33206	3.2
471.34818	6.0
513.35760	1.7
539.37500	6.3
540.37469	0.6
541.35297	0.5
553.35437	2.2
567.37140	1.2
583.35907	0.6
585.38000	7.5
586.37775	0.6
603.38977	1.1
627.35742	0.6
629.36914	11.8
630.37201	1.3
701.75238	0.4
729.40851	0.5
746.86969	0.5
747.43341	1.2
798.29810	0.5
841.23871	0.4
893.49084	1.7
937.47797	2.4
938.48999	0.6
955.49133	16.4
956.49512	1.7
1017.29456	0.5
1063.51428	1.5
1081.52295	100.0
1082.52563	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	1081.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
91.36295	0.8
103.98419	0.8
107.01259	2.1
109.02832	0.9
117.03385	0.8
121.02831	3.5
133.02898	1.5
145.02826	1.6
151.00273	7.2
151.38034	0.9
161.02309	1.0
169.01189	0.8
171.04413	1.0
175.00208	0.8
175.03912	1.0
178.99734	2.6
187.03769	0.9
199.03923	4.8
211.03969	1.1
215.03424	2.1
226.02602	1.6
227.03448	4.6
242.02124	1.1
243.02940	7.2
255.02963	10.8
256.03421	1.5
271.02475	71.1
272.02914	4.0
283.02502	2.9
284.03305	4.7
285.04007	1.7
299.01965	100.0
300.02701	39.5
300.06165	1.7
301.03461	10.4
462.07999	15.6
463.08572	2.2
552.23499	0.8
755.20215	5.0
797.21460	17.6
798.21277	1.5
901.24200	10.2
917.25732	9.4
918.25079	1.1
919.25397	10.6
959.26611	18.1
960.27234	1.4
1063.29309	15.7
1064.29480	1.9
1081.30383	17.5
1082.30872	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	1081.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
85.27440	0.4
91.16351	0.4
91.96206	0.4
99.30763	0.4
107.01303	1.5
109.02874	0.9
117.03390	0.7
121.02865	2.5
133.02902	0.6
145.02896	0.9
151.00288	5.7
169.29071	0.4
171.04372	1.0
175.03949	1.3
178.99782	3.1
183.04456	0.5
187.03944	0.8
199.03920	4.2
201.01962	1.2
203.03455	1.0
211.03903	0.4
215.03462	1.9
226.02768	0.6
227.03426	3.9
242.02217	1.1
243.03003	5.4
243.66847	0.6
254.02077	0.9
255.02977	8.7
256.03351	0.6
271.02481	74.7
272.02902	4.1
283.02454	0.7
284.03189	1.0
299.01968	100.0
300.02695	39.1
301.03415	9.6
419.07620	1.9
420.08371	0.8
461.06696	0.7
462.08038	15.2
463.08585	1.8
488.10342	0.5
755.20367	6.1
797.21497	18.7
798.21167	1.0
901.23962	11.6
902.24164	1.6
917.25604	9.3
918.25531	1.0
919.25189	4.1
959.26752	20.6
960.26404	2.0
1063.29333	15.2
1064.29053	1.8
1081.30164	13.1
1082.29822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
91.36295	0.8
103.98419	0.8
107.01259	2.1
109.02832	0.9
117.03385	0.8
121.02831	3.5
133.02898	1.5
145.02826	1.6
151.00273	7.2
151.38034	0.9
161.02309	1.0
169.01189	0.8
171.04413	1.0
175.00208	0.8
175.03912	1.0
178.99734	2.6
187.03769	0.9
199.03923	4.8
211.03969	1.1
215.03424	2.1
226.02602	1.6
227.03448	4.6
242.02124	1.1
243.02940	7.2
255.02963	10.8
256.03421	1.5
271.02475	71.1
272.02914	4.0
283.02502	2.9
284.03305	4.7
285.04007	1.7
299.01965	100.0
300.02701	39.5
300.06165	1.7
301.03461	10.4
462.07999	15.6
463.08572	2.2
552.23499	0.8
755.20215	5.0
797.21460	17.6
798.21277	1.5
901.24200	10.2
917.25732	9.4
918.25079	1.1
919.25397	10.6
959.26611	18.1
960.27234	1.4
1063.29309	15.7
1064.29480	1.9
1081.30383	17.5
1082.30872	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	1079.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
92.18416	0.9
107.01276	2.6
109.79084	0.9
117.03340	1.6
121.02847	1.0
133.02841	6.0
135.04391	1.2
145.02882	2.4
147.71959	0.9
151.00275	8.0
159.26984	0.9
161.02332	7.5
169.01414	1.3
175.00374	2.0
175.03867	1.5
177.01862	4.9
178.99773	3.5
184.28314	1.0
185.02222	1.4
186.91820	0.9
187.03990	1.1
199.03929	4.1
201.01753	1.3
203.03313	1.6
215.03421	3.0
226.02719	0.9
227.03397	7.7
228.03806	1.4
243.02963	7.7
244.03290	1.3
254.02046	1.0
255.02985	16.9
256.03461	2.9
270.01791	1.1
271.02478	78.5
272.02737	5.0
283.02490	3.7
284.03223	8.1
285.03604	4.5
287.01993	2.3
299.01971	100.0
300.02710	46.0
300.06165	1.9
301.03433	12.6
307.87573	1.0
313.03687	1.0
314.04227	3.8
315.01376	3.7
315.04758	2.1
316.02222	2.3
461.07260	11.0
462.08066	17.3
478.06879	1.2
493.87012	1.1
533.34424	1.3
618.52283	1.3
739.20868	3.0
755.20258	9.4
804.49445	1.1
916.25586	5.4
917.25000	42.2
918.25079	4.2
1061.67981	1.0
1079.28809	84.5
1080.28882	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	1079.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01279	0.9
83.22999	0.8
86.92454	0.8
90.02671	0.8
91.56165	0.9
93.03350	1.0
93.84904	0.8
97.44987	0.8
102.35754	0.8
105.03280	1.0
105.74207	0.8
107.01266	3.6
109.02888	1.1
109.99981	2.8
111.00761	1.7
117.03342	3.0
118.03692	1.0
119.04906	2.1
121.02837	1.2
123.00784	0.8
132.02068	1.7
133.02846	5.0
134.03593	1.1
137.99492	1.2
139.00246	4.5
145.02870	4.2
146.03214	1.3
149.02324	2.1
151.00285	12.6
152.01044	1.2
159.04459	0.9
160.01576	2.0
161.02347	5.5
163.00249	1.5
164.01064	2.5
165.99020	3.9
166.99733	1.3
167.09673	0.9
171.04393	2.2
175.00307	3.4
175.03966	2.0
177.01816	1.9
178.99774	7.7
183.04422	1.7
187.03963	3.2
189.01877	1.4
198.03087	1.2
199.03975	5.8
201.01894	2.8
202.02510	1.2
203.03433	2.3
211.04016	1.0
215.03519	4.7
217.01320	1.0
226.02560	1.6
227.03430	11.2
228.03880	3.6
229.01405	1.6
231.02934	3.2
241.01311	1.4
242.02164	3.0
243.02951	11.1
244.03444	1.5
254.02145	2.1
255.02965	22.6
256.03342	5.7
257.03387	1.8
259.02460	2.6
270.01758	2.8
271.02478	81.4
272.02808	5.5
283.02448	6.4
284.03220	14.6
285.03766	8.6
286.03995	2.5
287.01901	13.8
288.02484	1.0
298.01120	1.9
299.01965	100.0
300.02682	44.4
301.03467	17.6
302.03787	1.5
314.04306	5.0
315.01477	17.7
315.04980	2.6
316.02164	19.4
317.03094	5.6
433.07571	1.6
461.07254	25.5
462.08023	18.5
463.08566	3.9
478.07483	3.5
739.21252	2.0
740.21356	1.4
755.20331	13.6
756.20715	1.2
771.19745	8.0
772.20013	1.6
871.89941	1.1
915.25336	3.4
916.25995	13.6
916.75012	5.4
917.24756	95.2
918.24475	10.0
933.25031	3.0
1037.88208	1.0
1079.28845	63.7
1080.29248	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	1079.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01261	2.3
93.03347	2.7
105.03347	3.4
107.01265	3.5
108.02075	1.8
109.02795	1.6
109.99958	2.7
111.00750	2.7
111.34993	1.1
117.03352	6.5
119.04955	3.9
121.02831	2.1
123.00743	2.4
123.04431	1.9
125.02349	1.2
128.15126	1.3
132.02052	2.1
133.02864	12.9
136.98604	1.4
139.00264	5.7
139.03941	1.7
145.02856	9.3
149.02356	5.5
151.00281	15.9
152.00645	1.4
160.01607	1.5
161.02412	6.6
163.00285	1.8
163.03912	2.6
164.01093	1.4
164.98190	2.9
165.99017	6.2
166.99782	2.3
169.01343	1.2
171.04420	3.0
173.06085	1.2
175.00310	2.3
175.03900	3.2
176.01085	2.8
177.01863	52.7
177.99153	1.3
178.02199	1.7
178.99831	7.9
183.04369	2.5
185.02356	1.8
187.03970	3.5
199.03981	5.1
203.03394	2.0
211.03906	2.4
213.05392	1.5
215.03409	3.9
226.02672	1.5
227.03447	25.1
228.03821	4.3
229.05098	2.1
231.02975	2.9
242.02156	2.8
243.02988	12.4
244.03333	2.3
245.04709	1.2
254.02090	1.7
255.02974	60.1
256.03357	9.4
257.03940	2.3
258.01563	1.4
259.02380	3.3
269.04666	1.4
270.01651	2.9
271.02475	56.4
272.02838	6.7
283.02469	29.7
283.05594	2.2
284.03262	57.1
285.03900	29.8
286.04276	4.9
287.01941	15.0
299.01968	80.2
300.02643	41.3
301.03427	15.2
302.03903	1.5
313.03510	4.7
314.04398	12.4
315.01526	25.7
315.04846	5.5
316.02170	22.4
317.02881	5.4
392.98581	1.3
446.08563	3.7
461.07181	19.3
462.07938	13.1
463.08588	3.2
478.07397	4.6
555.04175	1.3
555.75586	1.3
739.20966	38.7
740.21124	5.7
755.20032	9.6
756.20691	2.0
771.20007	6.8
772.19177	1.6
781.20557	1.9
809.21857	7.0
810.22064	2.7
873.23718	1.3
885.25134	5.2
886.25348	1.5
889.24170	4.2
899.22528	5.3
900.25006	2.5
901.24731	1.7
915.25323	5.1
916.25958	19.8
916.75598	11.6
917.24622	100.0
918.24701	11.1
932.82764	1.5
943.23517	2.3
1079.29077	53.1
1080.29675	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	1077.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	0.4
89.03819	0.3
89.56458	0.2
107.01276	1.2
107.42983	0.3
117.03354	10.3
119.04918	1.0
122.12562	0.3
132.02075	0.8
133.02841	0.8
143.04828	0.3
145.02859	19.1
146.03209	0.3
151.00270	3.7
152.01108	0.5
152.94489	0.3
155.04910	0.3
160.01620	1.8
161.02385	2.3
163.00229	0.3
163.03940	0.5
164.51134	0.3
169.01329	0.7
171.04439	0.4
173.05988	0.3
175.03944	1.2
178.99767	1.6
183.04413	1.2
185.02359	0.5
187.03929	0.7
187.53867	0.3
199.03944	2.5
201.01822	0.5
203.03452	0.5
211.03951	0.4
214.02594	0.7
215.03424	1.3
227.03442	6.5
228.04053	0.5
239.03429	0.3
241.01347	0.7
242.02159	3.8
243.02960	12.1
244.03459	0.8
245.00909	0.6
248.69125	0.3
255.02969	17.3
256.03537	1.3
257.04544	1.8
269.04468	0.3
270.01685	4.9
271.02484	18.4
272.03024	1.4
283.02454	5.5
284.03253	13.2
285.04007	8.2
285.07175	0.5
286.04697	1.7
287.05603	0.8
298.01187	1.2
298.04660	0.7
299.01978	38.2
300.02667	7.6
301.03171	0.3
313.03519	10.2
314.04309	42.8
315.05051	14.1
316.05405	0.4
328.05820	0.3
339.05209	0.7
357.06052	0.3
369.06076	0.4
423.07053	0.5
429.29160	0.3
446.08255	0.4
476.09586	0.8
739.20734	0.7
751.20544	0.6
753.22980	0.4
769.21997	5.7
770.21930	0.6
795.20007	1.1
906.57104	0.3
915.25653	100.0
916.25970	17.4
1077.31628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02826	0.2
83.01276	0.5
93.03345	0.4
98.20473	0.5
107.01265	1.2
108.35821	0.2
117.03352	2.1
119.04996	0.2
123.13134	0.2
124.01504	0.3
132.02077	5.0
133.02882	2.4
134.03624	0.5
135.00777	0.5
135.04401	0.5
143.04930	0.4
145.02850	2.9
151.00273	3.6
152.00885	0.3
155.04926	0.4
159.04427	0.5
160.01585	9.8
161.02376	5.9
163.00293	0.7
164.01053	0.5
167.04945	0.5
169.01349	0.6
169.06479	0.3
171.04446	0.4
173.02350	0.3
174.02780	0.2
175.00487	0.2
175.03943	5.2
175.59282	0.2
178.99756	1.2
182.03725	0.4
183.04459	2.5
185.02328	0.3
185.06013	0.3
187.03922	0.6
195.04471	0.2
199.03920	0.8
200.04686	0.4
210.03200	0.3
211.03987	2.5
212.04536	0.2
213.01978	0.3
215.03459	0.3
226.02660	0.3
227.03461	21.0
228.03851	1.0
229.04980	1.1
239.03442	0.9
241.01302	0.3
241.04988	0.4
242.02211	0.6
243.02972	2.0
255.02980	57.9
256.03616	4.9
257.04660	1.6
269.04486	0.5
270.01669	1.0
271.02469	3.1
272.02884	0.3
283.02493	28.7
284.03262	51.0
285.03995	12.8
286.04559	0.7
298.04779	1.6
299.01987	4.6
299.05615	1.2
300.02679	0.8
313.03516	1.7
314.04306	4.8
315.05121	1.5
326.04684	0.2
327.05042	0.5
369.06320	0.2
393.06348	0.4
446.08521	2.1
488.08182	0.2
522.01910	0.2
530.40753	0.2
575.14001	0.4
739.21106	3.6
753.22858	1.3
765.18933	0.4
769.21906	1.1
779.20502	0.5
795.18573	0.3
809.71240	0.3
915.25690	100.0
916.26025	14.0
957.26013	0.7
1077.30884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49722	0.3
93.03346	0.6
107.01257	1.6
117.03340	1.5
132.02065	6.8
133.02858	5.7
134.03598	0.6
135.00806	1.1
135.04420	0.6
145.02847	1.4
149.02390	0.5
151.00278	4.0
152.01128	0.4
155.04903	0.6
159.04411	0.5
160.01576	11.7
161.02359	10.6
163.00258	0.6
167.04938	0.4
169.01399	0.6
171.04486	0.4
175.03935	7.4
178.99828	1.0
183.04460	2.6
185.02370	0.7
187.03952	1.2
195.04506	0.4
199.03932	0.8
211.03906	2.9
213.01729	0.4
213.05399	0.6
215.03374	0.4
226.02745	0.4
227.03455	23.7
228.03867	1.5
229.04999	1.6
239.03539	1.0
243.02940	1.0
255.02975	67.7
256.03500	6.7
257.04514	2.1
269.04532	0.6
271.02487	1.6
283.02481	34.0
284.03256	64.5
285.03973	17.4
286.04453	0.8
289.24988	0.4
297.04214	0.5
298.04837	3.4
299.01981	2.5
299.05597	3.1
300.02585	1.0
313.03421	0.9
314.04251	1.3
326.04190	0.7
327.05060	0.9
339.04831	0.5
369.74664	0.5
393.06085	0.5
446.08514	2.4
721.19727	0.5
739.20929	4.4
753.22595	2.6
765.18921	1.0
779.20026	0.7
915.25659	100.0
916.26013	12.5
916.44476	0.5
926.76794	0.5
957.27246	0.8
1047.69751	0.4
1077.31152	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	1073.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00745	3.2
85.02830	1.9
89.02332	3.2
89.84409	1.2
96.95882	2.0
99.00742	2.7
105.18110	1.2
108.71081	1.3
113.02287	2.0
145.02783	1.2
194.42923	1.3
389.58145	1.3
453.33868	1.5
455.35092	4.1
569.38257	3.6
613.37323	5.7
763.42725	100.0
764.42932	15.0
924.19708	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	1069.559
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00742	11.4
83.01250	3.2
85.02823	16.6
85.99957	2.6
87.00764	8.7
87.04391	2.9
89.02319	8.4
95.01266	2.7
96.95883	1.0
98.24840	0.6
99.00762	12.8
99.07162	0.5
101.02326	10.5
103.03869	1.4
111.00772	0.9
113.02335	10.8
113.03081	1.2
115.00276	0.6
115.03888	2.8
125.02321	0.8
127.03880	0.6
131.02486	0.7
131.03409	11.0
139.00333	0.8
143.03433	6.0
144.36960	0.7
145.04936	1.1
157.01306	0.9
163.06024	2.1
186.13316	0.6
197.11714	0.8
201.11177	1.3
205.07184	4.8
209.11778	2.7
227.12862	0.8
247.08104	0.7
293.21271	2.0
294.21698	0.7
301.62592	0.6
309.20844	1.2
442.46716	0.6
481.84085	0.7
523.37909	4.4
548.18207	0.6
593.41779	1.3
651.10760	0.8
680.41498	0.6
740.59076	0.7
780.34296	0.6
961.51245	2.2
979.52777	69.8
980.52722	8.5
1051.55774	1.8
1069.55859	100.0
1070.56299	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	1069.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00751	4.3
80.99670	0.2
81.03323	0.8
83.01262	2.5
84.02041	0.3
85.02830	9.5
85.03355	0.5
85.99964	0.9
87.00758	5.3
87.04412	1.2
87.04865	0.3
89.02316	3.8
93.03368	0.2
93.51369	0.2
95.01261	3.2
96.95868	0.3
97.02846	1.0
98.20437	0.3
99.00762	9.1
99.04411	1.4
101.02332	6.4
101.03002	0.4
103.03892	1.1
109.02837	0.3
111.00759	0.6
112.01540	0.3
113.02339	6.5
115.00224	0.3
115.03922	1.2
119.03381	0.9
124.85952	0.2
125.02351	1.1
127.03895	0.3
129.01842	0.5
131.03387	2.4
139.00294	0.5
143.02357	0.3
143.03426	2.6
145.04942	0.3
157.01328	0.9
159.45468	0.2
161.04442	0.6
161.38991	0.2
163.05975	1.2
178.57790	0.2
195.98549	0.2
205.07124	1.8
217.85045	0.2
221.92931	0.2
297.07721	0.4
439.35764	1.0
465.37375	2.5
466.37775	0.3
515.53052	0.2
535.41382	0.5
579.41119	0.3
653.44012	0.6
725.42322	0.4
743.43890	2.3
744.44000	0.3
855.07953	0.3
933.53595	0.2
951.53485	3.0
952.53265	0.4
1007.56189	1.2
1025.58704	0.2
1051.55408	2.9
1052.54028	0.6
1067.56384	0.3
1068.55151	1.2
1069.55859	100.0
1070.56165	17.9
1071.57324	0.6
1079.10596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00754	5.1
81.45528	0.4
83.01272	2.0
85.02830	8.5
85.99980	0.8
87.00758	4.8
87.04398	1.4
89.02338	3.8
95.01268	2.7
96.95904	0.7
97.02840	2.3
99.00768	7.4
101.02334	6.2
103.03885	1.1
111.00804	0.4
113.02341	6.3
115.00327	0.6
115.03913	0.9
119.03397	0.8
125.02343	9.3
127.03902	0.4
131.03416	2.9
134.03638	0.5
134.05527	0.4
139.00186	0.5
142.87549	0.4
143.03398	3.5
145.04959	0.5
157.01353	0.7
161.04486	0.6
163.06064	2.2
193.05000	0.4
205.07074	2.3
229.49385	0.4
247.08310	0.5
407.33289	0.8
455.35196	0.6
581.38293	0.6
636.31006	0.4
723.42157	0.5
741.42017	0.5
1049.53357	3.4
1050.53455	0.7
1051.51306	0.6
1067.54321	100.0
1068.54688	11.3
1082.51953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00742	5.3
81.03352	0.5
83.01263	1.9
84.57263	0.4
85.02824	9.3
85.99966	1.0
87.00746	4.7
87.04396	1.5
89.02327	3.3
95.01268	2.1
96.95911	0.4
97.02813	2.9
98.20544	1.2
99.00747	6.8
100.61231	0.5
101.02312	5.8
103.03886	1.8
111.00743	0.8
113.01595	0.7
113.02337	5.9
115.03911	1.4
119.03433	0.6
125.02345	9.6
131.03438	2.4
143.03392	3.5
145.04935	0.4
161.04437	0.5
163.06035	1.7
175.03940	0.5
183.21230	0.4
205.07080	2.2
211.98627	0.4
234.54855	0.4
247.08047	0.6
296.30585	0.5
316.98749	0.4
581.37695	0.4
723.41736	0.4
741.42578	0.8
859.05927	0.5
879.52002	1.0
939.81848	0.5
941.50720	0.7
1049.53235	2.8
1067.54260	100.0
1068.54468	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	1067.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00754	5.1
81.45528	0.4
83.01272	2.0
85.02830	8.5
85.99980	0.8
87.00758	4.8
87.04398	1.4
89.02338	3.8
95.01268	2.7
96.95904	0.7
97.02840	2.3
99.00768	7.4
101.02334	6.2
103.03885	1.1
111.00804	0.4
113.02341	6.3
115.00327	0.6
115.03913	0.9
119.03397	0.8
125.02343	9.3
127.03902	0.4
131.03416	2.9
134.03638	0.5
134.05527	0.4
139.00186	0.5
142.87549	0.4
143.03398	3.5
145.04959	0.5
157.01353	0.7
161.04486	0.6
163.06064	2.2
193.05000	0.4
205.07074	2.3
229.49385	0.4
247.08310	0.5
407.33289	0.8
455.35196	0.6
581.38293	0.6
636.31006	0.4
723.42157	0.5
741.42017	0.5
1049.53357	3.4
1050.53455	0.7
1051.51306	0.6
1067.54321	100.0
1068.54688	11.3
1082.51953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00750	6.0
81.03339	0.3
83.01257	1.8
85.02826	12.6
85.99960	1.3
87.00754	5.9
87.04394	1.6
89.02319	3.8
95.01266	2.6
97.02830	2.1
98.70423	0.1
99.00760	7.6
99.04378	0.2
101.02325	6.3
103.03898	1.5
109.02863	0.2
111.00728	0.4
112.01588	0.7
112.56596	0.2
113.02335	8.0
114.61872	0.1
115.00262	0.4
115.03888	1.7
119.03416	0.9
125.02338	3.1
127.03877	0.3
129.01767	0.3
131.02461	0.2
131.03400	3.2
139.00259	0.8
143.03401	3.0
145.04964	0.6
157.01331	0.9
161.04498	0.8
163.06042	1.4
205.07104	2.4
247.08134	0.3
266.72437	0.1
395.11835	0.3
535.37897	0.2
563.37225	0.2
723.41571	0.2
733.46082	0.2
741.42352	0.5
879.50861	0.3
1005.53882	0.2
1049.53406	2.0
1067.54272	100.0
1068.54639	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	1067.362
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20501	2.1
99.75160	1.2
113.02327	1.2
132.02122	1.3
151.00298	2.0
227.03471	21.6
228.03931	1.7
229.05077	1.3
255.02975	44.3
256.03497	4.7
257.04395	2.3
271.02530	1.3
283.02444	2.3
284.03256	66.1
285.04013	24.4
300.02725	1.6
327.05066	1.9
332.88470	1.0
361.55872	1.3
369.19116	1.1
429.20874	1.5
593.15125	100.0
594.15393	9.9
595.15369	1.2
905.30890	3.0
946.26807	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	1065.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00750	6.6
76.48112	0.1
81.03335	0.4
83.01264	2.5
85.02826	10.1
85.99966	1.3
86.03167	0.2
87.00224	0.3
87.00752	5.8
87.04395	1.6
89.02321	3.9
95.01272	2.9
96.95878	0.2
97.02834	3.8
99.00761	8.6
99.04385	0.4
101.02325	7.2
103.03891	1.6
111.00739	0.5
112.01530	0.5
113.02338	6.7
115.00251	0.3
115.03903	2.0
119.03394	1.0
125.02342	10.3
125.69335	0.1
127.03932	0.3
131.03406	3.4
139.00275	0.5
143.03407	4.3
144.03825	0.2
145.04944	0.6
157.01384	0.6
161.04404	0.6
163.06026	1.9
164.45515	0.1
166.57132	0.1
205.07121	3.1
247.08223	0.6
355.26666	0.2
407.33221	0.2
423.32681	0.2
453.33774	0.4
455.35229	0.2
539.37946	0.2
579.37000	0.5
684.06641	0.2
721.39612	0.8
731.43866	0.6
739.40961	0.8
740.41455	0.2
877.49426	1.0
919.46997	0.2
939.49750	0.4
1047.51685	3.3
1048.52039	0.5
1065.52710	100.0
1066.53101	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	1065.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	0.7
89.59422	0.4
93.03345	0.7
95.01299	0.5
107.01255	2.0
117.03364	3.5
118.58797	0.4
119.04903	0.5
121.02857	9.4
123.94442	0.4
125.02319	0.5
132.02097	0.7
133.02817	0.5
135.00806	0.6
145.02872	4.6
146.03101	0.5
151.00259	4.1
152.01024	0.7
159.04359	0.9
163.00319	0.9
169.01328	1.4
178.99799	2.0
183.04475	2.5
187.03902	0.6
199.03917	1.4
211.03938	2.9
213.05521	0.6
215.03409	0.7
227.03464	29.0
228.03821	1.6
229.04929	1.7
239.03391	0.9
241.05113	0.6
243.02956	0.9
255.02977	77.7
256.03571	9.2
257.04559	2.3
271.02515	8.5
272.02866	4.1
273.03085	1.6
283.02484	39.2
284.03262	97.8
285.03970	23.3
286.04199	1.0
299.01978	10.4
300.02505	9.0
301.02914	4.2
302.03329	1.2
309.04129	0.7
326.04333	0.8
327.05154	0.8
339.05032	0.6
353.30890	0.4
393.05859	0.7
404.09821	0.4
446.08453	3.4
462.08038	1.6
463.08539	1.3
469.13431	0.4
575.13867	0.7
739.20935	6.3
740.21130	0.7
753.85144	0.5
755.21143	0.7
756.21008	1.0
757.21002	0.9
781.21985	100.0
782.22388	12.5
809.22028	0.7
823.24420	0.6
885.24573	32.1
886.24615	4.3
901.24780	0.7
902.25354	2.5
903.25317	16.3
904.25665	1.7
919.26447	1.3
943.27893	0.6
952.86719	0.5
1065.30017	6.8
1066.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
74.86300	0.3
75.00748	4.0
76.90082	0.2
83.01258	1.8
85.02827	7.0
85.99980	0.8
87.00755	3.8
87.04401	1.2
89.02314	3.0
95.01268	1.7
96.95901	0.4
97.02832	0.6
99.00764	6.2
101.02330	5.3
103.03900	1.1
105.07784	0.2
111.00745	0.4
112.01558	0.3
112.91992	0.2
113.01533	0.3
113.02327	6.0
115.00259	0.3
115.03903	1.1
119.03387	0.8
125.02325	0.7
128.03362	0.3
131.03406	2.2
139.00250	0.3
143.03410	3.0
145.04947	0.4
157.01389	0.2
161.04468	0.4
163.06105	1.2
182.99651	0.2
205.07106	1.8
299.01752	0.3
306.07584	0.2
439.35785	1.0
465.37439	0.8
683.41901	0.3
701.43347	0.6
951.54761	0.3
965.54498	0.3
1009.53778	1.5
1010.53540	0.3
1027.54858	100.0
1028.54980	17.5
1063.54663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01795	0.4
98.19864	0.4
107.01283	1.7
108.02052	0.6
109.02854	0.9
117.03358	1.9
119.01231	0.4
133.02876	1.9
135.04234	0.3
143.04900	0.6
145.02873	2.5
147.00882	0.4
148.01593	0.4
151.00275	4.8
159.04364	0.4
161.02313	2.0
163.00247	0.6
169.01366	0.5
171.04396	1.4
171.67030	0.3
175.00316	0.3
175.03941	0.7
178.99739	2.0
183.04338	0.5
187.03908	0.8
189.01898	0.3
198.03081	0.5
199.03935	4.1
201.01889	1.5
203.03452	0.8
211.03973	0.4
215.03391	2.3
220.18697	0.3
226.02679	1.0
227.03406	6.0
229.01295	0.4
241.01512	0.3
242.02159	0.6
243.02930	6.6
244.03549	0.5
254.02260	0.9
255.02968	14.4
256.03323	1.1
257.04565	0.4
271.02469	69.0
272.02945	3.7
283.02390	2.2
284.03220	4.9
285.03989	2.4
297.03876	0.4
298.01105	0.4
299.01959	100.0
300.02701	46.2
301.03461	11.4
313.03357	0.4
314.04108	0.5
343.04480	0.8
426.63791	0.4
461.07108	0.5
462.08020	16.5
463.08768	1.8
739.21558	1.2
755.20349	8.9
756.20984	1.1
779.70844	0.6
781.18359	1.3
794.71136	0.6
795.19714	0.4
886.24603	0.4
900.24530	0.5
900.76227	1.7
901.24084	50.2
902.24432	7.4
915.25543	0.6
916.24353	0.4
917.25671	11.2
918.26221	1.7
943.23962	0.6
1063.29321	39.3
1064.29565	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	1063.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	0.6
107.01265	2.6
108.02081	0.6
109.02819	0.7
117.03345	3.1
119.04887	0.9
124.01575	0.5
133.02856	2.1
135.00732	0.4
143.04974	0.8
145.02847	3.9
145.51230	0.5
146.92473	0.4
147.00793	0.5
148.01572	0.5
149.02359	0.4
151.00272	6.7
155.04956	0.4
161.02309	0.6
164.01141	0.6
169.01366	0.5
171.04401	1.8
175.00276	0.6
175.03961	1.5
178.99818	1.9
183.04472	1.0
185.02521	0.4
187.03926	1.1
189.05507	0.5
198.03064	0.9
199.03929	7.4
201.01929	2.2
203.03467	1.0
211.03951	0.6
213.01689	0.4
214.02628	0.5
215.03450	3.2
226.02618	1.5
227.03459	8.1
228.03889	0.9
229.01112	0.4
229.05026	0.6
242.02171	1.5
243.02962	10.4
244.03380	0.5
254.02301	0.6
255.02977	16.2
256.03442	1.7
271.02478	100.0
272.02875	5.6
273.04028	0.5
282.01682	0.9
283.02487	1.6
284.03275	5.3
285.03918	1.6
299.01971	97.4
300.02698	37.1
300.07669	0.6
301.03494	9.8
313.03323	0.5
314.04251	2.0
315.05017	0.9
325.03278	0.4
343.04523	0.6
461.06906	1.0
462.08011	15.5
463.08792	2.0
739.19452	0.7
755.20477	12.2
756.20258	0.7
779.71118	0.9
781.18420	2.3
794.70837	0.6
885.25250	1.1
886.25909	0.8
900.25317	0.8
900.75366	4.2
901.24176	53.4
902.24475	4.9
915.25732	0.9
916.26569	0.5
917.25592	11.5
918.26184	1.1
943.24005	1.5
958.93683	0.5
1063.29407	33.8
1064.29199	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	1063.294
Annotation	Capilliposide I
Peak:m/z	Relative Intensity
83.01241	0.6
90.32359	0.3
107.01276	1.8
108.02014	0.5
109.02837	0.5
113.67847	0.3
117.03350	1.9
119.04895	0.5
120.89027	0.2
121.02835	0.6
125.02306	0.3
133.02844	1.3
135.00720	0.4
143.04968	0.3
145.02876	2.9
147.00769	0.5
148.01604	0.4
149.02354	0.3
151.00285	6.0
155.04944	0.3
159.04514	0.3
161.02354	0.6
163.00256	0.5
164.01077	0.3
169.01385	0.7
171.04417	1.5
173.02361	0.2
175.00273	0.7
175.03909	1.1
178.99814	2.5
183.04425	0.9
187.03871	1.3
189.01889	0.3
189.05466	0.3
197.02391	0.5
198.03050	0.4
199.03932	5.6
201.01901	1.4
203.03419	0.6
211.03845	0.3
213.01802	0.3
214.02568	0.3
215.03479	2.4
216.04028	0.3
226.02673	1.3
227.03450	5.6
228.04137	0.3
229.01253	0.4
229.04996	0.3
242.02191	0.9
243.00453	0.5
243.02953	8.2
244.03604	0.3
252.14027	0.2
254.02274	1.0
255.02965	12.4
256.03424	0.8
270.01700	0.3
271.02475	88.2
272.02856	4.4
273.03754	0.3
282.01624	0.5
283.02405	0.6
284.03238	2.4
285.03769	0.8
298.01086	0.4
299.01962	100.0
300.02704	44.2
301.03445	10.7
302.03839	0.6
314.04349	0.6
315.04886	0.3
355.08905	0.3
371.11014	0.3
461.07187	0.7
462.08038	16.5
463.08713	2.1
489.10168	0.3
737.19293	0.6
739.20306	0.4
755.20349	13.4
756.20557	1.1
781.18042	2.1
885.25140	0.4
886.24957	0.5
901.24097	57.7
901.74347	0.9
902.24524	4.6
915.26251	0.4
917.25732	15.4
918.26105	1.2
943.23425	0.9
1063.29370	45.4
1064.29651	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	1063.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01241	0.3
98.19865	0.3
107.01270	1.4
108.02042	0.4
109.02843	0.4
110.65231	0.3
117.03391	1.2
119.04885	0.4
121.02838	0.5
123.65884	0.2
133.02837	0.8
145.02856	2.8
147.00851	0.3
148.01578	0.4
151.00285	5.0
157.02878	0.4
159.04361	0.3
161.02402	0.4
163.00285	0.6
169.01289	0.3
171.04440	0.7
173.02319	0.3
175.00291	0.5
175.03908	0.9
178.99760	2.0
183.04385	0.6
187.03920	0.6
199.03958	3.0
200.04274	0.3
201.01855	1.0
203.03430	0.4
211.03932	0.6
215.03406	1.7
226.02687	0.9
227.03441	4.8
228.03722	0.5
242.02264	0.4
243.02972	4.6
254.02222	0.5
255.02974	9.4
256.03452	1.1
270.01837	0.3
271.02472	57.2
272.02911	2.7
273.04004	0.3
282.01654	0.5
283.02469	0.9
284.03259	4.2
285.03812	1.8
286.04178	0.4
299.01962	100.0
300.02701	45.1
301.03461	10.7
301.06973	0.5
302.03812	0.4
313.03610	0.5
314.04401	0.6
342.03903	0.3
370.38419	0.2
461.06964	0.3
462.08032	13.2
463.08582	1.3
489.10336	0.3
572.62097	0.3
739.21448	0.4
755.20270	4.1
756.21198	0.4
780.21826	0.3
781.18799	0.7
794.71753	0.7
900.25244	0.5
900.75232	1.2
901.24164	21.4
901.73865	1.1
902.24542	2.3
917.25616	3.6
918.25073	0.5
943.24152	0.4
989.38995	0.3
1063.29456	15.5
1064.30212	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	1063.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01326	0.8
93.03401	0.7
99.20431	0.7
107.01384	2.7
108.02180	0.6
110.00006	3.6
111.00825	1.5
117.03343	6.0
119.05064	2.0
121.02922	0.9
123.00889	0.9
123.04536	0.8
132.02226	2.1
133.02846	14.1
135.04532	2.3
136.98787	1.1
137.99596	1.7
138.29395	0.6
139.00264	3.5
145.02861	8.4
146.03302	0.7
151.00314	5.7
152.01028	1.0
159.04492	1.4
161.02356	21.9
163.00427	1.2
163.04076	1.0
164.01164	0.8
165.98987	5.5
166.99844	1.5
169.01492	1.0
169.06761	0.8
171.04608	1.1
175.04060	1.0
178.99823	3.4
182.03751	0.7
183.04625	1.9
185.06108	0.6
187.03908	3.2
193.98602	0.9
194.99405	0.9
199.03844	3.3
200.28259	0.7
200.93097	0.8
201.05666	0.7
211.04195	1.9
215.03661	2.3
225.05647	0.6
226.02826	1.0
227.03465	18.9
228.04036	1.7
229.05182	1.9
239.03485	1.2
241.01462	0.9
242.02296	1.3
243.02992	10.4
254.02180	1.1
255.02972	55.1
256.03348	5.6
257.04639	2.4
269.04803	0.7
270.01801	1.2
271.02484	51.2
272.03076	5.9
283.02481	25.9
284.03262	46.3
285.04001	17.3
286.04367	1.5
299.01981	46.6
300.02728	48.9
301.03479	14.8
312.02814	0.9
313.03738	2.6
314.04306	1.3
326.04111	0.9
360.65903	0.8
362.16760	1.0
382.43008	0.8
445.07721	1.6
446.08643	1.6
447.07455	1.6
462.07938	3.8
717.91418	0.8
721.19623	1.3
739.20734	11.0
740.21216	1.4
741.20892	1.0
755.20294	5.3
781.20160	0.8
873.24249	0.9
900.24054	1.1
900.76550	3.6
901.24152	100.0
902.24622	12.7
917.25525	3.8
943.26019	1.1
1063.29224	26.7
1064.29199	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	1061.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	15.7
77.38725	0.2
83.01259	0.7
84.02019	0.2
85.02827	9.9
86.60947	0.2
87.00745	0.9
95.01275	1.6
95.37173	0.2
95.57121	0.2
99.00752	1.0
101.02335	0.2
111.00771	0.3
113.02338	5.2
115.00285	0.4
116.01016	0.2
117.01794	0.4
129.01802	0.6
133.47449	0.2
144.46683	0.2
144.94672	0.2
157.01350	0.7
175.02400	0.3
176.05856	0.2
205.33386	0.2
223.03970	0.3
230.52704	0.2
251.03619	0.4
252.04233	2.9
267.03992	0.2
267.06674	2.7
437.34235	0.4
453.33444	0.5
455.35284	3.6
497.36322	1.3
509.36420	0.7
511.34131	0.4
527.37360	0.3
551.37408	0.4
555.36743	0.6
569.38440	8.7
570.38806	0.6
583.40082	0.2
587.39465	1.3
613.37579	1.0
631.38513	9.1
632.38910	0.8
673.39319	0.6
722.24115	0.3
793.43781	100.0
794.44159	10.7
794.55499	0.2
918.53680	0.2
1054.88977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02823	4.4
75.00749	6.8
79.35894	0.2
83.01256	2.8
84.02026	0.2
84.05933	0.2
85.02826	10.5
85.99964	1.3
87.00754	5.7
87.04390	1.6
89.02322	4.6
89.02841	0.4
95.01263	2.5
96.86659	0.2
97.02834	0.6
99.00761	8.5
99.04382	0.3
101.02324	9.6
102.02676	0.2
103.03895	1.6
111.00794	0.4
112.01521	0.3
113.02335	8.4
115.00225	0.3
115.03909	2.2
119.03381	1.3
125.02368	0.5
127.03914	0.4
129.01817	0.2
131.03401	5.4
137.02319	0.2
139.00258	0.5
143.03409	4.1
145.04973	0.6
152.87735	0.2
157.01357	0.6
161.04486	0.6
163.06039	1.5
205.07079	2.6
235.50169	0.2
247.08002	0.4
284.03262	0.5
295.56906	0.2
299.01935	0.4
323.75204	0.2
448.97089	0.2
571.40320	1.4
713.42535	0.3
731.43848	0.7
849.50604	0.3
920.28796	0.2
995.56421	0.4
1039.54749	2.4
1040.54211	0.4
1057.55908	100.0
1058.56177	22.2
1059.57910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02823	2.4
73.40936	0.7
75.00362	0.5
75.00758	3.7
82.00737	0.6
83.01276	0.7
85.02820	6.8
85.99979	0.7
87.00748	4.0
87.04380	1.3
89.02315	10.9
93.03363	0.8
95.01237	1.1
96.95876	1.1
98.20542	1.1
99.00750	10.0
99.76165	0.7
101.02359	3.9
103.03854	0.8
113.02332	5.6
115.03921	0.9
121.02866	0.8
122.03601	2.1
128.19225	0.6
131.03413	4.0
134.03616	0.8
136.01552	2.9
137.02327	1.1
139.00253	0.8
143.03398	2.7
149.02344	4.5
149.94756	0.7
150.03123	10.3
151.00241	0.8
151.03856	2.7
152.04474	0.7
164.04689	1.2
164.73354	0.6
165.01917	1.8
165.05469	9.6
166.02632	2.1
177.01791	0.7
180.04143	2.0
181.04941	3.1
195.06609	6.3
205.07004	1.1
225.07698	0.8
227.03378	1.0
255.02971	1.3
271.02362	0.8
284.03125	1.0
330.99130	0.7
339.08728	1.0
369.13287	1.6
373.13089	2.0
387.14572	2.9
417.15442	1.4
421.15128	1.5
512.17462	0.7
565.20660	2.7
613.22626	1.0
713.26318	2.3
761.27887	2.8
761.41254	3.5
809.30273	1.6
995.51752	0.9
1013.52185	0.9
1039.51038	1.1
1057.52271	100.0
1058.52710	19.8
1086.93091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02817	3.6
75.00746	6.5
78.06769	0.2
81.03379	0.3
83.01263	1.5
85.02821	8.9
85.99958	1.2
86.02477	0.2
86.43475	0.2
87.00753	5.5
87.04385	1.6
89.02319	2.6
95.01269	1.8
97.02827	4.1
99.00755	7.4
99.04386	0.4
101.02327	2.8
103.03902	1.0
111.00775	0.3
112.01488	0.2
113.02329	6.0
115.00260	0.3
115.03909	2.2
119.03364	0.3
122.06404	0.2
125.02338	6.5
131.02466	0.3
131.03394	5.6
139.00258	0.3
143.02359	0.4
143.03397	4.0
145.04898	0.5
157.01328	0.6
163.06023	0.8
205.07115	2.5
247.08339	0.2
361.39337	0.2
396.91827	0.2
465.37317	0.3
500.90512	0.2
565.38922	1.2
725.43231	0.4
921.52185	0.3
1003.53387	0.9
1021.53748	100.0
1022.53949	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	1053.458
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00758	0.2
75.04727	0.1
75.62566	0.1
79.95610	8.0
85.02807	0.2
91.44316	0.1
96.95892	100.0
97.95833	0.4
99.00767	0.1
113.02364	0.2
114.93302	0.2
146.41699	0.1
294.53668	0.1
464.85168	0.1
620.46454	0.1
865.42859	0.1
955.49524	0.9
956.48846	0.2
1053.52454	0.3
1062.03601	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	1057.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02819	2.5
75.00359	0.6
75.00745	8.7
83.01265	2.4
85.02345	0.8
85.02826	11.2
86.20748	0.4
87.00749	2.8
89.02316	4.3
95.01269	2.4
96.95879	0.9
99.00760	11.1
101.02322	5.6
113.02325	9.7
115.00284	0.5
119.03356	1.5
125.02291	0.7
131.03401	0.8
150.03079	0.5
157.01331	1.3
198.45502	0.4
255.02908	0.7
271.02399	1.2
284.03342	0.5
299.01999	0.9
300.02570	1.1
423.32642	1.4
439.32309	1.1
453.33743	0.7
469.33176	1.1
471.28995	0.7
471.34915	8.0
472.35223	0.6
513.35443	0.7
585.37885	5.5
603.38873	2.4
629.36841	2.9
747.43512	0.7
809.43274	15.7
810.43402	2.0
851.44574	7.8
852.44806	0.8
940.68329	0.5
971.48462	0.8
1013.49664	100.0
1014.49872	18.2
1039.54553	0.6
1043.31970	0.5
1057.37720	0.5
1057.55835	6.1
1058.56555	0.7
1079.88953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99167	1.7
73.02818	3.8
75.00748	5.4
83.01248	1.9
84.12955	0.6
85.02824	7.8
85.99978	1.4
87.00758	4.0
87.04395	1.2
89.02309	4.1
95.01247	2.3
96.95866	0.8
97.02825	2.1
99.00763	7.0
99.92461	0.9
101.02324	6.3
103.03899	1.4
113.02338	6.5
115.03873	1.0
116.92746	5.1
119.03374	0.9
125.02337	3.1
131.03415	2.9
143.03398	3.4
163.06010	1.0
205.07063	2.2
256.62766	0.5
327.21817	0.9
333.12817	0.6
397.13315	0.7
455.07364	0.6
519.81897	0.6
527.04291	0.6
565.39185	2.2
592.38623	0.6
613.81720	0.6
635.43420	1.0
710.74017	0.7
763.42896	0.9
808.86133	0.8
1033.53186	2.3
1034.52173	0.7
1051.54834	100.0
1052.55127	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	1051.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99183	1.8
73.02818	3.8
75.00749	6.3
78.45184	0.1
81.03323	0.4
83.01254	2.9
84.02058	0.2
85.02824	10.3
85.99963	1.3
86.03200	0.2
87.00751	6.0
87.04384	1.5
89.02318	4.7
93.43713	0.1
95.01265	3.0
97.02830	4.0
99.00761	7.7
99.04366	0.3
100.74416	0.1
101.02326	7.4
103.03891	1.7
111.00753	0.4
112.01538	0.4
113.02335	7.0
115.00242	0.3
115.03899	1.7
119.03391	0.9
120.01944	0.1
123.00731	0.2
125.02343	5.7
127.03892	0.1
129.01851	0.2
131.03398	3.5
139.00285	0.4
142.02599	0.2
143.03404	3.9
145.04944	0.7
157.01299	0.7
161.04539	0.6
163.06036	1.9
205.07126	2.7
247.08131	0.4
352.11462	0.1
439.35840	0.2
457.46036	0.1
465.37466	0.5
484.99280	0.1
565.38580	1.1
566.38629	0.1
635.43134	1.3
707.41132	0.4
717.45520	0.3
725.42664	0.8
863.51984	0.5
905.50452	0.2
951.53595	0.3
989.55341	0.2
1033.54053	3.1
1034.54883	0.6
1051.54810	100.0
1052.55151	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	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	1.4
59.01252	29.6
59.85870	0.7
65.01321	0.9
70.30417	0.8
71.33511	1.8
72.99184	100.0
73.99506	2.9
75.00749	45.0
75.02699	0.9
76.01124	1.1
76.02730	0.9
100.55988	0.8
105.01819	93.7
105.17839	0.8
106.02179	3.2
106.04001	3.0
107.50467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99185	1.6
73.02831	3.5
75.00752	5.2
76.12778	0.3
81.09509	0.3
83.01243	2.0
83.04870	0.4
85.02825	10.5
85.99963	0.9
87.00761	5.0
87.04403	1.5
89.02319	2.4
95.01263	2.0
96.95881	0.7
97.02833	2.0
98.19861	0.5
99.00764	11.2
99.04334	0.3
101.02329	3.4
103.03905	0.9
111.00755	0.4
112.01571	0.6
113.02335	5.6
115.00292	0.6
115.03922	2.0
125.02332	3.3
127.03946	0.4
131.03406	4.0
139.00275	0.4
143.03413	6.6
145.04941	0.6
157.01326	0.8
163.06000	0.6
170.90059	0.3
192.45450	0.3
205.07127	1.4
409.31009	0.5
453.33694	0.7
469.33246	2.7
471.34830	6.6
472.35071	0.4
499.34589	0.5
513.36108	1.5
537.35858	0.4
539.37543	3.3
553.35223	1.7
567.37109	1.0
583.36646	0.6
585.37946	7.7
586.38165	0.6
603.39050	1.6
614.41296	0.4
627.35394	1.1
629.36975	13.3
630.37286	1.1
699.41211	1.2
717.41876	2.2
861.48810	0.4
863.48071	1.3
907.47314	2.5
925.48126	20.2
926.48663	2.3
1033.50378	1.7
1051.51257	100.0
1052.51563	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	1047.445
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99165	0.6
73.02816	1.5
83.01271	2.5
85.02836	3.6
87.00744	0.8
89.02338	3.7
93.03325	0.7
93.03949	0.4
95.01237	0.7
98.20515	0.5
99.00758	0.7
101.02331	6.6
108.02062	0.9
109.02819	2.2
111.00756	0.9
113.02350	2.8
117.03323	1.1
119.03380	1.6
119.04996	0.5
121.02843	5.3
122.03642	5.2
123.04459	1.2
124.01601	0.9
135.04442	1.5
136.05197	0.6
137.02344	1.3
145.02853	1.5
147.04427	3.6
149.06017	0.7
151.00232	1.5
154.02571	1.2
161.05922	0.8
163.03969	0.8
165.05492	13.7
177.05347	0.6
178.99727	0.8
179.07066	4.2
191.07054	1.1
199.03949	1.1
201.01683	0.5
211.04128	0.6
215.03517	0.9
227.03426	5.8
228.03705	0.9
243.02988	1.8
255.02989	11.8
256.03540	1.5
271.02484	19.7
272.02875	1.9
283.02490	3.6
284.03262	11.1
285.04083	2.8
298.12231	1.2
299.01968	29.0
300.02686	12.8
301.03378	2.7
302.03656	0.7
313.14542	2.1
315.12430	1.7
328.13086	1.2
329.13843	0.7
343.15417	2.9
346.14236	8.4
347.14810	2.8
361.16580	52.6
362.16891	4.2
362.21198	0.6
362.22955	0.6
445.28961	0.5
462.08044	3.9
463.08295	0.6
523.21863	100.0
524.22217	9.2
739.20648	1.2
778.60211	0.6
841.22198	1.3
885.24652	18.2
885.74994	2.7
886.24878	4.8
1047.30005	11.0
1048.29822	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	1047.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
86.27943	0.3
93.03350	0.3
98.20501	0.4
107.01274	1.1
117.03343	10.1
119.04921	0.8
119.37618	0.2
132.02043	0.4
135.00810	0.5
143.18057	0.2
145.02861	14.6
146.03110	0.3
151.00269	2.5
151.01366	0.3
155.04906	0.3
159.04414	0.3
163.00336	0.4
169.01370	0.6
178.99786	0.8
183.04506	1.4
185.02437	0.4
185.06059	0.5
187.03931	0.5
199.03935	0.7
200.04796	0.3
211.03986	2.0
212.04631	0.3
213.05637	0.3
227.03455	19.8
228.03844	0.7
229.05000	1.1
233.00755	0.3
239.03404	0.8
255.02969	47.1
256.03583	4.6
257.04510	1.3
283.00012	0.3
283.02475	19.2
284.03253	61.4
285.03976	13.6
286.04422	0.7
297.04041	0.4
326.04443	0.6
327.05164	0.7
446.08615	1.5
575.13684	0.3
608.87878	0.3
721.19440	0.9
739.20782	5.3
765.18640	0.8
885.24573	100.0
886.24933	17.2
927.25464	0.6
1047.30139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.299
Annotation	Unknow
Peak:m/z	Relative Intensity
74.34915	0.3
83.01287	0.4
93.03322	0.6
100.15175	0.3
107.01264	2.0
117.03351	15.3
118.03631	0.7
119.04910	1.2
132.02086	0.5
133.02858	0.4
135.00807	0.7
145.02856	23.6
146.03157	0.7
150.35411	0.3
151.00288	4.3
152.01044	0.6
159.04446	0.7
163.00284	1.0
163.03874	0.4
164.01068	0.4
169.01331	0.8
169.06480	0.5
171.04446	0.4
178.64087	0.3
178.99706	1.9
182.03566	0.6
183.04466	2.7
185.02399	0.7
187.03899	0.7
199.03932	0.6
211.03918	2.8
213.05586	0.4
214.49809	0.4
227.03450	29.6
228.03946	1.0
229.04912	2.0
230.37344	0.4
239.03473	0.8
241.04866	0.6
255.02965	77.6
256.03616	7.4
256.42465	0.4
257.04559	2.3
281.04453	0.4
283.02472	34.6
284.03256	100.0
285.03964	22.0
286.04492	0.9
309.04272	0.6
326.04291	0.7
327.05069	1.0
339.05090	0.6
393.06223	0.8
446.08563	2.5
575.13898	0.6
700.70105	0.4
721.19897	0.7
739.20813	6.4
740.21320	0.4
765.19000	0.6
794.82123	0.4
885.24597	91.9
886.24811	14.2
1047.30823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01273	0.7
89.03874	0.3
93.03349	0.6
107.01259	2.3
109.02822	0.2
117.03353	17.4
118.03652	0.4
119.04923	1.5
120.06064	0.2
132.02072	1.0
135.00806	0.8
143.04950	0.4
145.02861	24.2
146.03201	0.7
151.00276	4.4
152.01060	0.4
155.04950	0.6
156.05731	0.3
159.04442	0.7
163.00275	1.2
163.03918	0.4
164.01033	0.5
167.04900	0.4
169.01347	1.2
169.06444	0.3
171.04488	0.7
174.91956	0.2
178.99776	1.9
182.03648	0.4
183.04440	3.4
185.02345	0.7
185.05981	0.7
187.03893	1.0
195.04486	0.4
199.03935	0.8
200.04706	0.4
201.05457	0.3
211.03955	3.6
212.04367	0.3
213.05495	0.6
227.03452	37.7
228.03798	1.5
229.04953	2.3
239.03474	1.1
240.04109	0.5
241.04948	0.3
243.03075	0.4
253.04897	0.3
255.02968	90.2
256.03583	7.8
257.04587	2.0
267.02908	0.4
268.03711	0.3
269.04504	0.4
271.02478	0.7
281.04568	0.3
283.02475	30.8
284.03253	100.0
285.03983	23.4
286.04391	0.8
297.03949	0.4
299.02029	1.0
300.02658	0.3
309.03964	0.3
326.04279	0.8
327.05045	0.7
339.05017	0.5
345.21341	0.2
393.06155	0.5
437.14032	0.2
446.08389	1.8
473.10797	0.2
573.25037	0.3
575.14014	0.5
593.15826	0.3
721.20123	0.4
739.20996	5.1
740.21387	0.5
765.18768	1.2
779.20844	0.7
885.24591	86.5
886.24719	7.7
927.25702	0.7
1047.29248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02349	11.4
81.04478	0.6
82.02845	2.0
84.04451	0.4
86.02348	4.5
86.05985	0.7
86.98964	1.1
87.05499	1.9
88.03920	0.6
90.00077	1.5
96.95867	0.9
97.03960	1.7
98.02351	0.6
98.16233	0.3
99.05521	11.2
101.07076	1.9
102.05486	1.5
107.06046	0.8
109.03957	2.3
109.07592	0.6
111.05538	1.3
112.03921	1.3
113.03442	0.5
115.54408	0.5
116.01630	1.0
123.05538	1.5
124.03914	0.4
125.03490	1.5
127.05025	1.7
127.53341	0.4
128.03435	32.4
129.03673	0.4
129.99568	0.4
131.04478	0.7
135.05556	3.4
137.07091	0.5
141.06596	2.2
143.04532	37.9
145.06087	1.8
146.04523	3.5
149.07080	0.7
153.06583	3.1
155.08179	0.5
160.00661	12.0
163.11180	0.5
166.09811	2.2
167.04565	2.9
167.08188	1.9
170.03285	0.8
171.04131	0.5
171.07664	1.6
177.03342	3.5
179.04539	9.7
181.06137	0.7
184.10754	0.4
185.05595	2.2
190.09366	0.4
192.07732	1.0
197.05620	1.2
199.07140	0.5
207.10219	0.5
210.08789	9.5
225.11209	0.4
229.47452	0.5
242.07736	1.0
244.09462	0.5
254.05183	0.6
254.07814	12.0
255.08119	0.5
272.08887	21.9
273.09195	0.9
277.21768	1.0
288.06595	6.5
297.59882	0.4
304.06094	1.6
305.08734	0.8
306.07657	100.0
307.07935	4.7
314.08286	0.7
332.09186	5.8
353.92224	0.4
773.41479	0.5
885.26556	0.6
1046.50256	1.9
1047.50708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43108	0.5
72.44489	0.4
74.02345	10.2
81.04446	0.9
82.02846	1.6
84.04428	0.6
85.03954	0.5
86.02348	4.7
86.98968	1.1
87.05512	2.7
90.00069	0.7
91.07909	0.5
97.03931	1.2
98.02382	0.6
98.20493	0.5
99.05522	9.8
100.00283	1.2
101.07090	1.8
102.05503	1.0
107.05973	0.5
109.03945	1.9
111.05521	1.0
112.03945	0.9
113.03414	0.5
116.01585	0.8
123.05538	0.9
125.03442	0.9
127.05030	1.1
128.03432	28.1
129.03741	0.4
129.99547	0.6
135.05545	3.5
137.07080	0.9
141.06604	2.6
143.04529	35.4
144.04883	0.7
145.06041	2.2
146.04486	3.8
149.07079	0.6
153.06595	2.3
160.00647	9.2
160.13461	0.5
166.09749	1.1
167.04515	3.3
167.08191	1.6
170.03302	0.7
171.04034	0.8
171.07677	1.6
177.03345	3.2
179.04552	8.5
181.06053	1.1
184.10878	0.6
185.05614	2.2
192.07706	1.2
197.05602	1.9
210.08762	7.5
228.09869	0.7
242.07813	1.6
254.07809	11.6
255.08156	0.5
265.14639	0.5
272.08881	22.5
273.09216	1.3
277.21698	1.4
288.06570	5.7
293.21274	0.7
304.06094	1.5
306.07651	100.0
307.07861	3.9
314.08224	0.6
332.09219	5.9
334.64957	0.5
405.11914	0.5
1046.51575	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	1043.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	1.9
73.02821	3.0
73.69304	0.2
75.00748	6.5
83.01258	2.4
85.02825	13.0
85.99989	1.1
87.00755	6.1
87.04397	1.4
89.02316	4.1
95.01263	3.6
96.95897	0.5
97.02863	0.3
99.00760	10.3
99.04401	0.3
101.02326	6.7
103.03868	1.1
109.02755	0.2
111.00742	0.3
112.01554	0.7
113.02335	9.3
115.00294	0.4
115.03914	1.0
119.03394	1.3
125.02337	0.6
131.03427	3.0
139.00296	1.1
143.03400	3.1
145.04976	0.5
157.01349	0.8
161.04454	0.6
163.06068	1.5
171.10156	0.2
205.07089	2.1
273.92505	0.2
307.39612	0.2
325.20294	0.2
391.30222	0.4
395.11584	0.2
407.33456	0.4
437.34415	0.3
508.78076	0.2
541.39801	0.3
546.22833	0.2
559.40283	0.2
699.41211	0.4
717.42200	1.4
835.48291	0.3
967.52081	1.1
981.54388	1.6
1025.53430	1.6
1026.53662	0.3
1043.54346	100.0
1044.54626	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	1043.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99191	12.0
73.02827	4.8
75.00741	4.0
83.01270	5.5
85.02813	8.1
87.00761	23.3
89.02316	14.2
95.01278	2.3
96.95889	1.8
97.02808	3.5
98.19816	3.5
99.00769	9.4
101.02335	12.7
104.15132	1.9
111.00765	2.3
112.98666	12.6
113.02316	9.4
115.00259	24.5
119.03391	5.7
124.98691	3.9
125.02338	8.0
129.01833	2.1
139.00267	1.8
142.99770	37.9
143.03421	4.3
156.00574	2.2
161.04463	4.8
173.00824	8.8
174.01630	18.0
174.60587	1.5
175.02391	38.7
179.05560	7.1
180.95543	1.9
183.13863	4.2
211.13338	100.0
212.13692	3.7
223.13286	4.0
231.95511	1.9
235.08191	7.2
251.12910	2.8
263.07535	1.9
263.12897	6.7
277.21732	78.7
277.24841	3.9
278.22021	3.2
379.12540	11.8
397.13489	59.0
398.13757	3.1
415.14627	13.5
449.24753	1.9
591.26691	8.9
592.44128	1.8
609.27502	8.8
657.34833	3.1
675.35797	6.5
869.48438	3.0
897.47980	3.4
921.49854	2.7
925.48169	17.8
926.48572	2.3
939.49603	3.8
943.49268	4.0
963.50244	3.5
965.47467	12.5
966.47253	2.9
983.48468	5.2
1007.49176	2.3
1025.49463	7.7
1043.52026	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	1043.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	14.0
73.02831	2.8
75.00743	2.9
81.03333	0.8
83.01263	6.0
83.04932	1.3
85.02820	6.8
87.00754	20.2
88.98687	1.1
89.02318	16.6
89.02842	1.4
95.01273	1.8
96.99184	1.6
97.02840	3.7
99.00764	9.2
101.02322	17.6
111.00774	2.8
112.98702	14.7
113.02325	9.5
115.00257	24.0
119.03387	6.2
124.98705	3.8
125.02319	8.1
126.27929	0.8
129.01865	1.2
131.03395	1.3
135.02885	0.9
138.50865	0.7
139.03917	1.1
142.99767	40.8
143.03375	2.3
145.01385	2.2
149.02441	0.9
151.67386	0.8
156.00526	2.5
157.01364	1.4
161.04454	4.6
163.91373	0.9
173.00810	9.2
174.01610	19.0
175.02400	39.4
179.05521	5.0
183.13791	5.1
189.61440	0.9
193.12321	1.9
205.12294	1.1
205.19716	0.8
207.13792	1.2
211.13336	100.0
212.13680	2.0
217.07054	1.6
221.06618	2.3
223.13385	3.6
226.56526	0.8
233.11765	1.9
235.08147	6.9
237.11362	1.0
241.14435	0.8
245.11812	1.0
251.12914	2.6
251.25526	0.8
253.09251	0.9
253.14395	1.3
259.13293	1.1
263.12866	5.3
277.21716	73.6
278.22113	2.4
287.07654	1.6
293.21301	2.2
294.69138	1.0
305.08765	3.0
309.20609	1.8
323.09891	2.0
335.96863	0.9
341.72678	0.8
379.12439	15.2
397.13483	62.1
398.13876	2.3
415.14514	12.0
591.26617	11.8
609.27698	7.0
657.34796	3.5
675.36243	7.4
869.49512	4.5
907.46716	2.9
909.48853	1.1
921.48352	2.8
925.48022	14.7
926.48840	2.6
935.50232	1.0
939.50220	4.1
943.48309	3.8
953.47308	1.2
955.49670	1.0
963.48724	3.1
965.47522	13.5
966.47931	1.8
983.48383	4.2
995.47626	1.7
1007.49231	2.1
1025.49939	7.7
1026.49988	1.0
1043.50769	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	1043.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99183	11.2
73.02821	3.0
75.00742	2.7
81.03336	1.0
83.01245	3.8
83.04903	0.7
85.02820	5.0
87.00750	19.7
89.02318	16.6
91.13643	0.7
93.03353	0.8
95.01264	2.3
95.04945	0.7
97.02826	4.1
98.19765	1.6
99.00758	7.8
101.01694	1.3
101.02322	17.8
111.00761	2.7
112.98695	11.9
113.02322	9.9
114.99467	1.3
115.00259	22.7
117.01771	0.8
119.03393	6.0
121.02816	0.7
124.98691	3.7
125.02332	8.5
129.01790	1.5
131.03374	1.1
135.02896	0.8
139.00275	0.8
139.03844	0.7
141.01872	0.8
142.99768	34.9
143.03424	3.4
144.00009	0.9
145.01308	2.2
149.04449	0.7
156.00516	2.5
157.01265	1.9
161.04475	5.1
167.10603	0.8
173.00833	10.5
174.01616	21.9
175.02394	38.8
175.72273	0.6
176.02780	0.7
179.05556	5.2
183.13846	6.1
191.10840	0.7
193.12213	2.1
199.06049	0.7
203.58131	0.7
205.12244	1.0
207.13783	1.2
211.13339	100.0
212.13628	4.5
217.07048	1.1
221.06645	2.9
221.11847	0.8
223.13351	5.2
225.14828	0.8
229.42300	0.8
233.11790	2.8
235.08170	5.8
235.13437	1.4
237.11198	1.7
237.14844	1.6
239.12906	1.1
249.11205	1.3
251.12816	2.0
253.09258	1.4
259.08093	0.9
261.11371	1.1
263.12885	6.1
270.99600	0.7
272.97083	0.9
275.20322	0.7
277.21722	66.1
278.22171	3.4
287.07761	2.1
291.19681	1.3
293.21130	1.2
305.08820	2.5
323.09821	2.8
379.12448	16.1
380.12491	0.9
397.13492	55.7
398.13712	2.8
415.14581	10.9
419.00235	0.8
591.26642	10.4
592.26746	1.0
609.27637	8.8
657.34790	3.6
675.36243	6.8
869.49347	2.7
889.45001	0.9
897.47717	1.9
907.46912	4.1
909.47913	2.2
921.48853	2.3
922.50763	0.9
925.48016	17.4
926.48627	2.4
935.47961	1.3
937.48468	1.1
939.49689	2.7
943.49274	3.7
955.48694	1.2
963.49420	2.3
965.47284	10.8
966.47827	2.2
981.50909	1.3
983.47723	5.5
984.48602	0.9
1007.48706	2.8
1013.49542	1.2
1025.49548	6.7
1026.49438	1.3
1043.50623	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	1043.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	10.8
73.02814	2.8
75.00745	2.4
83.01242	4.8
85.02809	6.0
87.00758	16.2
89.02320	14.4
95.01237	1.3
97.02850	2.5
99.00762	7.9
101.02316	14.9
108.02115	1.0
111.00766	2.6
112.98711	10.2
113.02325	8.9
115.00259	20.0
119.03391	4.5
124.98696	3.0
125.02357	6.4
141.01857	1.1
142.99773	33.4
143.03391	3.0
145.01346	2.0
148.77951	1.0
150.57368	1.2
156.00536	1.3
157.01337	1.9
159.02946	1.3
161.04469	3.7
166.02402	0.9
167.14471	1.2
173.00806	8.4
174.01630	18.0
175.02397	29.5
175.11252	1.0
179.05540	6.7
183.13800	7.6
193.12280	1.4
211.13332	100.0
212.13686	2.2
221.06596	1.5
223.13339	3.7
233.11664	1.7
235.08183	6.8
237.14996	1.3
253.14543	1.3
259.08130	1.2
263.12808	5.3
277.21710	57.5
278.22153	3.1
287.07605	2.2
291.19598	1.2
293.21219	4.3
305.08670	1.9
309.20682	2.8
320.03986	1.1
323.09753	2.1
364.24939	1.0
379.12430	16.1
397.13501	53.7
398.13785	2.3
415.14508	13.1
591.26575	12.0
609.27686	10.8
657.34955	3.1
675.36029	3.8
869.49323	2.7
870.47437	1.3
897.48315	1.8
907.47034	3.2
909.47321	1.5
921.48389	2.9
925.48395	12.7
926.48755	2.5
939.49469	2.4
943.48700	1.9
963.48993	1.4
965.47174	11.9
966.47791	2.4
983.48859	5.1
1007.48737	2.3
1025.49182	6.6
1043.51221	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	1037.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99189	2.2
73.02824	4.0
75.00752	9.9
81.03315	0.3
83.01273	1.9
85.02827	13.0
85.99974	1.2
87.00755	6.5
87.04398	2.4
89.02332	3.4
90.80672	0.3
95.01283	1.7
96.95905	1.4
97.02843	3.8
98.20561	0.6
98.95472	0.3
99.00765	9.5
99.04398	0.3
101.02332	3.2
103.03889	0.8
111.00775	0.5
112.01563	0.3
113.02341	7.1
115.00259	0.4
115.03922	1.7
119.03355	0.3
125.02349	11.7
126.90304	0.4
131.03413	6.5
143.03409	4.8
145.04971	0.7
157.01352	0.6
163.06012	1.2
181.99280	0.2
202.30684	0.2
205.07112	2.9
229.64742	0.3
247.08301	0.4
309.20871	0.2
327.22171	0.3
329.23276	0.3
389.70612	0.2
389.78055	0.3
437.34100	0.3
455.35001	0.7
741.41949	0.8
856.02399	0.3
895.97046	0.3
906.36188	0.3
1019.51599	2.0
1020.51910	0.4
1037.53357	100.0
1038.53577	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	1039.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	2.0
73.02822	8.6
73.03242	0.4
75.00748	5.7
80.99686	0.5
81.03330	0.8
83.01253	2.3
84.02044	0.3
85.02823	12.9
85.99972	1.6
87.00752	6.4
87.04396	1.8
89.02322	3.6
95.01266	2.2
96.95911	1.3
97.02825	0.6
99.00761	11.5
99.04402	1.6
101.02332	3.7
103.03907	1.2
105.00162	0.2
109.02890	0.2
111.00788	0.2
111.25072	0.2
112.01557	0.4
113.02332	7.4
115.00259	0.3
115.03900	1.6
119.03392	0.3
125.02312	0.4
129.01804	0.5
131.02472	0.4
131.03404	5.9
139.00206	0.5
143.03398	3.8
145.04959	0.8
156.54622	0.2
157.01389	1.0
161.04523	0.2
163.06030	1.0
205.07101	2.1
247.08299	0.2
386.81064	0.2
423.32645	0.2
439.35870	0.7
465.37283	3.2
466.37875	0.2
509.39557	0.2
511.38013	0.3
535.41638	0.6
563.40479	0.2
583.90582	0.2
625.40784	0.2
653.44128	0.3
743.43677	2.5
744.44128	0.3
921.52142	3.7
922.52008	0.7
938.92859	0.2
977.54559	0.6
1021.53333	1.5
1022.54486	0.3
1039.54858	100.0
1040.55139	16.5
1041.55713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	2.0
73.02826	4.2
75.00750	8.1
75.01131	0.3
83.01276	2.3
85.02827	15.8
85.99973	2.2
87.00755	8.1
87.04398	1.9
89.02319	3.2
95.01267	2.4
97.02853	2.2
98.20564	0.9
99.00169	0.7
99.00764	10.1
101.02337	3.2
103.03883	1.1
108.98991	0.3
112.01575	0.6
113.02338	9.4
115.03896	1.5
119.03374	0.5
125.02338	4.9
131.03403	6.7
139.00276	0.7
143.03416	4.9
145.04955	0.8
157.01340	1.0
160.21280	0.4
163.06044	1.4
205.07086	2.8
315.09665	0.4
330.26065	0.4
673.03113	0.4
741.42163	0.5
793.43506	0.6
846.76990	0.4
1019.52582	0.8
1037.53333	100.0
1038.53601	19.6
1038.76038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99176	1.7
73.02823	2.3
75.00743	6.9
83.01261	3.9
85.02827	12.4
85.99953	0.5
87.00749	2.7
88.98679	0.9
89.02316	8.0
95.01260	3.7
96.95915	2.8
97.02837	4.3
99.00757	9.7
101.02327	7.7
111.00738	0.5
113.02330	7.3
116.05186	0.4
116.92790	0.7
119.03382	0.6
125.02342	7.1
131.02478	0.6
131.03406	8.7
135.59697	0.4
143.03423	0.5
143.74365	0.5
149.04497	2.2
157.01250	0.7
161.04430	0.8
184.75777	0.5
187.22020	0.5
191.05524	5.8
209.06541	0.5
233.06577	1.2
365.10962	0.6
378.04150	0.5
469.11853	0.7
562.20392	0.5
565.39056	1.0
635.43341	2.1
707.41718	1.3
725.43079	1.1
912.32690	0.6
1019.52600	3.3
1020.53021	0.9
1037.53247	100.0
1038.53455	16.5
1038.75757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.517
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99169	2.2
73.02812	4.8
75.00746	9.3
83.01277	1.1
85.02827	12.6
87.00755	7.5
87.04401	2.0
88.98689	1.5
89.02316	3.1
95.01244	2.1
96.95924	2.0
97.02835	1.6
99.00754	7.8
100.51520	1.1
101.02311	4.0
111.74097	1.3
113.02328	8.4
116.92759	2.6
123.67828	1.0
125.02321	1.7
131.03413	6.6
143.03406	4.4
163.06050	1.4
205.07092	3.4
237.23438	1.1
336.65057	1.2
362.52325	1.2
508.74796	1.2
579.37384	1.8
931.04443	1.1
1024.18213	1.4
1035.51782	100.0
1036.51685	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	1037.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
75.72870	0.1
78.95782	0.1
79.95608	6.7
85.02801	0.1
95.97442	0.1
96.95890	100.0
97.95826	0.2
99.00770	0.1
170.60168	0.1
230.18959	0.1
241.74042	0.1
387.85355	0.1
939.49231	0.9
940.49982	0.2
977.45111	0.2
992.39899	0.1
1037.49670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99185	1.8
73.02818	4.8
75.00748	8.6
81.03332	0.4
83.01260	2.2
84.02027	0.2
85.02824	13.0
85.99981	1.6
86.03162	0.1
87.00755	7.2
87.04385	2.5
89.02319	3.4
95.01266	2.1
96.95917	0.2
97.02829	4.3
99.00758	10.2
99.04394	0.5
101.01694	0.2
101.02325	3.2
103.03887	1.2
109.02813	0.2
111.00753	0.6
112.01563	0.3
113.02334	7.4
115.00243	0.4
116.92785	0.1
119.03398	0.4
125.02341	10.1
126.02625	0.1
127.03899	0.3
129.01819	0.2
131.03397	6.6
132.03705	0.1
139.00273	0.4
143.03407	5.7
145.04990	1.0
157.01361	0.6
161.04462	0.1
163.06030	1.2
189.03958	0.1
205.07111	3.0
247.08194	0.5
253.14294	0.1
277.09399	0.2
353.24664	0.1
369.27603	0.2
371.29810	0.1
407.33038	0.2
423.32730	0.2
425.34280	0.3
435.33124	0.2
437.34418	0.1
453.33755	0.3
455.35281	0.2
479.35507	0.2
539.37354	0.2
551.37665	0.1
579.37067	0.5
721.40167	0.2
739.40997	0.5
847.48187	0.3
909.48907	0.4
935.49426	0.2
957.50702	0.1
1017.50439	1.8
1018.50653	0.2
1035.51709	100.0
1036.51819	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	1033.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99168	1.8
73.02823	3.4
75.00745	6.3
83.01269	2.2
85.02345	0.7
85.02828	10.2
85.32610	0.4
85.99960	1.1
87.00757	5.2
87.04385	1.3
89.02325	2.9
91.12163	0.4
95.01249	1.7
96.80451	0.4
96.95894	1.8
97.02857	0.4
99.00766	10.0
101.02313	3.9
103.03896	0.9
109.19213	0.4
112.01567	0.4
113.02338	7.3
113.76115	0.3
115.00254	0.4
115.03888	1.5
116.86325	0.5
125.02326	0.4
131.03401	5.8
131.19092	0.3
143.03395	4.2
145.04970	0.9
145.06059	0.3
157.01299	0.8
163.06050	0.8
169.44839	0.3
171.10022	0.5
205.07068	2.1
211.13210	0.4
241.14471	0.9
261.05463	0.7
293.21198	1.4
325.20313	0.4
327.21686	0.5
370.21494	0.4
397.13434	1.2
415.14548	0.5
439.35849	1.2
465.37415	0.8
491.35074	0.4
599.39160	0.4
701.42651	0.8
747.87231	0.4
818.09344	0.4
826.90735	0.4
915.49475	0.7
919.48456	0.4
973.40698	0.7
979.52515	0.6
997.53827	100.0
998.54132	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	1031.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06448	0.2
83.01254	0.7
91.01748	0.4
93.03350	0.7
98.19815	0.3
107.01266	2.0
109.02826	0.4
117.03394	1.2
120.04538	0.2
132.02068	0.3
135.00813	0.6
137.02371	0.3
141.03357	0.3
145.02866	0.4
147.04391	0.3
151.00272	2.7
155.04942	0.3
159.04427	0.9
163.00317	0.8
164.01103	0.4
165.01830	0.7
169.01343	0.8
171.04443	0.5
178.99776	0.9
182.03604	0.5
183.04430	3.3
184.04893	0.3
185.02411	0.7
185.05954	0.3
187.03940	0.6
195.06647	0.3
199.04012	0.4
211.03915	2.7
213.01859	0.3
213.05402	0.5
225.07626	0.4
226.02713	0.3
227.03452	27.6
228.03828	1.4
229.05031	1.1
239.03456	0.9
241.05099	0.4
255.02972	77.4
256.03513	7.1
257.04553	1.3
269.04462	0.5
270.04831	0.2
281.04507	0.3
283.02478	43.9
284.03244	73.8
285.03955	16.1
286.04321	0.7
297.04236	0.4
309.03918	0.3
326.04410	0.6
327.05109	0.3
393.05936	0.4
411.19000	0.3
446.08450	2.8
501.26529	0.3
679.50342	0.4
680.50427	0.3
721.19897	1.0
869.25098	100.0
870.25372	13.9
911.26141	0.7
1031.30420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56979	0.7
72.00796	0.9
74.02346	10.3
74.17988	0.4
74.82954	0.4
81.04465	0.5
82.02850	1.4
84.04426	0.7
86.02349	3.1
86.06009	0.8
86.98991	1.0
87.00768	0.5
87.05513	2.8
89.02335	0.5
90.00079	0.9
93.19375	0.4
96.95903	0.7
97.03979	1.1
99.05511	8.5
101.07070	0.8
102.05489	1.9
107.06004	0.4
109.03960	1.4
109.07549	0.6
111.05527	1.5
112.03912	1.2
116.01611	1.0
121.03938	0.4
123.05561	0.6
124.03922	0.8
125.02451	0.4
125.03447	1.1
125.72516	0.4
127.05017	1.8
128.03432	26.6
128.93187	0.4
131.04471	0.5
135.05521	2.7
137.07103	0.6
139.01398	0.4
141.06610	1.8
143.04526	33.3
145.06059	2.0
146.04498	3.0
153.06586	2.8
157.12216	0.4
160.00652	9.8
166.09764	0.9
167.04518	2.2
167.08153	1.8
171.04008	0.5
171.07680	0.5
171.10167	0.6
177.03261	4.1
179.04549	7.1
181.06079	0.8
184.10747	0.4
185.05569	1.2
192.07744	0.9
195.13373	0.5
197.05650	1.1
209.11728	1.0
210.08783	6.6
242.07794	0.9
254.07799	9.0
272.08875	18.5
277.21771	1.0
288.06613	6.7
293.01678	0.4
306.07648	100.0
307.07962	3.8
341.23309	0.6
342.23911	0.6
388.81793	0.4
397.13351	0.8
909.75073	0.5
949.24786	0.5
1030.51929	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	1030.516
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00800	0.6
73.59573	0.4
74.02347	9.7
75.00723	0.4
81.04448	0.5
82.02856	1.5
84.04431	0.5
86.02342	3.8
86.05976	1.1
86.98979	0.6
87.05514	1.5
90.00067	1.0
95.02383	0.5
96.95890	0.9
97.03934	1.0
99.05520	8.9
100.46732	0.4
101.07080	1.4
102.05488	1.9
107.06026	0.5
109.03982	1.6
109.07656	0.5
111.05528	0.8
112.03944	0.7
116.01688	0.6
116.92660	0.5
123.05542	1.2
124.03928	0.7
125.03480	1.1
127.05046	1.4
128.03429	24.3
129.99615	0.6
135.05531	2.7
137.07135	0.6
141.06599	2.2
143.04529	32.2
144.01187	0.5
144.73706	0.4
145.06068	1.8
146.04494	2.4
153.06625	2.4
160.00656	10.4
161.01073	0.5
166.09770	1.1
167.04523	1.9
167.08162	1.6
177.03326	2.9
179.04562	7.8
181.06122	1.2
184.10826	0.5
185.05627	1.0
192.07736	1.0
197.05632	1.0
209.11806	1.6
210.08798	7.8
228.09850	0.9
242.07697	0.7
254.07784	9.4
272.08884	16.1
273.08945	0.5
277.21655	0.7
288.06561	6.1
306.07648	100.0
307.07962	3.4
341.23441	0.7
342.23596	0.5
736.52930	0.5
971.48486	0.5
1030.52563	3.0
1031.51917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99177	0.2
73.02823	0.3
75.00740	0.4
77.27380	0.2
77.88066	0.2
85.02843	1.0
87.00770	0.6
88.98680	100.0
89.02330	0.6
89.99021	0.4
95.01258	0.3
96.95899	0.3
99.00771	0.8
101.02338	0.8
113.02323	0.7
115.03930	0.3
131.03412	0.3
146.59750	0.2
151.56258	0.2
163.06064	0.2
177.51483	0.2
205.07100	0.4
229.48396	0.2
323.23917	0.2
453.33932	0.4
455.35214	0.5
523.38263	0.3
613.37512	0.8
731.44257	0.3
939.49597	19.6
940.49689	3.4
941.49921	0.4
1029.52832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	14.8
71.48179	5.4
82.37306	3.1
82.62209	2.6
85.02821	3.0
87.00770	3.4
89.02316	9.9
97.02835	7.6
101.02317	7.8
113.02334	4.8
116.92756	3.4
119.03413	5.0
125.02317	6.2
161.04469	3.6
171.10104	4.0
179.05411	4.0
221.06779	4.0
235.08235	5.0
277.21698	40.0
278.22073	4.9
287.07645	3.6
291.19702	30.8
309.20703	100.0
310.21024	9.5
352.58105	2.9
379.12430	3.1
387.48627	3.2
397.13525	47.7
398.13846	4.4
415.14740	18.7
675.36346	4.6
940.05353	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	1027.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	15.0
84.48606	2.3
85.02837	4.0
87.00727	4.2
89.02319	14.9
91.04905	2.4
95.03087	2.4
97.02847	3.7
98.19786	9.5
99.37927	2.9
101.02320	14.4
113.02328	8.3
116.92729	4.1
119.03417	5.5
125.02337	6.0
143.03381	4.1
144.19211	2.6
161.04530	2.8
165.12776	2.9
166.53693	2.5
171.10138	4.9
173.70598	2.7
179.05501	5.5
185.11557	3.1
197.11716	17.5
199.05249	2.8
211.13289	3.8
225.14926	5.3
225.40942	2.5
235.08168	5.8
251.16821	3.5
277.21725	52.8
278.21924	5.3
291.19693	27.9
309.20731	100.0
310.21094	5.9
357.38846	2.8
379.12488	6.5
397.13449	57.7
398.13986	5.7
415.14581	16.5
468.12662	3.3
689.34540	4.2
707.35022	4.1
739.28723	2.9
972.40106	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	1027.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	22.9
72.99178	3.0
73.02821	4.4
75.00748	7.8
81.03310	0.4
83.01267	3.9
83.34583	0.3
83.97657	0.3
85.02822	13.8
85.73186	0.3
85.99963	0.9
87.00760	7.3
87.04382	1.2
89.02322	4.7
95.01267	4.1
96.95865	0.7
97.02831	0.7
99.00761	11.0
101.02327	9.7
102.82576	0.4
103.03893	1.3
111.00759	0.6
112.01568	0.4
113.02332	9.6
115.00303	0.4
115.03888	1.5
118.58721	0.3
119.03387	1.6
125.02358	0.5
131.03387	4.0
139.00235	0.5
143.03404	3.5
145.04942	0.8
157.01282	1.2
161.04497	0.9
163.06049	2.4
171.10158	0.6
205.07133	3.4
247.08241	0.5
257.94284	0.4
303.43854	0.3
423.32834	0.4
437.34250	0.4
439.36038	1.6
456.71170	0.4
459.32626	0.4
465.37439	1.4
554.69305	0.4
611.42981	1.8
657.43292	0.4
683.41858	0.8
701.42914	2.3
723.49738	0.3
819.47504	0.4
860.12433	0.4
951.53113	1.1
965.53448	1.8
1009.53949	2.9
1027.54822	100.0
1028.55054	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	1023.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	0.2
75.00771	0.1
78.95754	0.2
79.95610	6.2
80.91189	0.1
83.01231	0.1
85.02822	0.2
87.00743	0.1
89.02338	0.1
94.97984	0.1
96.95893	100.0
97.95830	0.3
99.00765	0.1
101.02311	0.1
113.02327	0.1
142.52190	0.1
229.88751	0.1
257.71332	0.1
847.02167	0.1
925.51727	1.1
926.52386	0.3
963.47113	0.4
1023.50067	0.5
1024.49695	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	1023.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	1.5
71.57496	1.0
89.02335	0.9
90.51717	0.8
93.03358	2.8
109.02835	4.4
113.02325	1.5
119.04956	0.9
121.02854	5.4
122.03636	8.9
123.00756	1.0
123.04375	0.9
124.01598	1.2
133.02824	2.2
134.03568	1.4
136.01515	1.2
137.02362	13.3
139.00261	1.0
139.03868	1.4
147.04405	1.0
149.01212	1.6
149.02353	18.9
149.05917	1.4
150.03137	69.9
151.00272	9.7
151.03909	4.0
152.01042	1.3
152.04686	3.7
153.05426	0.9
154.78972	0.8
159.04497	0.8
164.04692	3.9
165.01828	1.9
165.05493	73.5
166.01239	1.7
166.02635	25.4
167.03375	2.3
175.03912	2.4
177.05498	2.4
178.02637	0.9
179.03450	2.2
179.06995	1.3
180.04224	4.9
181.04980	32.2
182.05377	1.1
184.03778	1.4
187.03981	2.1
190.06276	1.4
191.03505	1.1
193.05023	2.9
195.06551	32.1
196.06805	1.0
202.06299	1.1
205.04970	6.2
207.06580	2.2
220.07326	4.8
255.02963	2.6
271.02625	0.9
284.03207	2.0
297.07687	1.3
315.08731	1.7
327.12411	2.2
329.10461	2.1
339.12393	1.9
369.13593	1.0
371.11270	1.1
372.12375	1.6
387.10178	4.8
387.15033	5.0
402.13245	5.0
403.13803	1.1
416.14764	1.0
417.15543	37.0
418.15860	2.5
421.02191	0.8
432.25735	1.0
520.17169	1.3
535.16241	2.5
550.18262	3.0
565.20795	43.7
566.20947	3.8
583.21802	1.7
595.21753	4.1
613.22919	100.0
614.23120	10.9
757.26703	1.1
775.28094	1.7
817.29688	3.5
818.29382	1.6
863.02197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	29.5
71.13294	4.9
71.53555	1.8
72.99187	13.9
73.02811	3.5
75.63071	2.1
83.01271	5.1
85.02838	4.8
87.00744	19.0
89.02323	21.0
93.03429	2.0
97.02832	4.1
99.00772	6.4
101.02309	20.6
103.31323	2.3
111.00792	3.9
112.98708	14.0
113.02320	9.8
115.00251	25.4
119.03397	6.3
124.98719	4.5
125.02338	9.5
142.99768	35.8
143.03436	3.9
147.32185	2.2
156.00594	2.7
161.04456	4.1
167.03474	3.0
173.00877	10.3
174.01611	20.2
175.02403	35.2
179.05573	4.5
183.13853	6.6
193.12244	2.4
211.13345	100.0
212.13745	4.2
217.07220	2.8
235.08231	6.2
255.23305	77.2
256.23584	3.8
263.12878	5.6
379.12411	17.4
397.13480	54.9
398.13956	2.8
415.14679	12.2
487.62305	2.5
591.26447	13.8
609.27545	6.3
635.36230	6.0
653.37390	12.2
694.14886	2.6
847.50165	2.8
885.47626	2.9
899.49701	2.7
903.50208	13.7
921.50983	3.7
943.49078	9.1
961.49829	6.9
1003.51062	6.2
1021.52972	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	1021.538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	15.0
71.58128	0.8
72.99162	2.1
73.02817	3.8
75.00746	8.9
76.64718	0.6
81.03357	0.8
83.01258	14.2
85.02828	12.3
85.99976	2.3
87.00751	7.9
87.04405	1.9
89.02319	1.8
95.01252	1.5
96.95880	1.1
97.02830	3.6
99.00764	10.5
99.04382	0.9
101.02334	2.6
101.07353	0.5
103.03857	0.6
113.02329	6.6
115.03915	2.0
116.92786	0.7
119.03288	0.5
125.02337	38.9
126.02656	1.1
131.03403	6.8
143.03387	4.3
157.01247	0.7
163.06081	0.9
174.61661	0.5
185.96239	0.5
205.07085	2.2
879.60944	0.7
1003.53497	1.2
1021.53833	100.0
1022.54016	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	1021.283
Annotation	Unknow
Peak:m/z	Relative Intensity
72.82482	0.4
83.01289	0.8
98.19643	0.7
102.59137	0.4
107.01277	1.8
109.02856	1.1
115.72549	0.4
121.02874	0.6
131.50206	0.4
133.02843	1.0
135.00739	0.4
151.00304	4.3
159.43869	0.4
163.00215	0.7
169.01286	0.5
171.04420	1.1
173.02336	0.5
175.03918	1.3
178.99815	2.0
180.53557	0.4
183.04514	0.5
186.52121	0.4
187.03906	0.6
199.03923	5.1
200.04466	0.4
201.01851	1.8
203.03398	0.7
215.03531	2.3
226.02669	1.4
227.03476	5.7
228.03999	0.5
240.21039	0.6
242.02084	1.2
243.02974	7.4
254.02249	0.7
255.02968	9.7
256.03485	0.8
270.01733	0.4
271.02481	79.3
272.02863	4.4
273.03891	0.6
282.01654	0.5
283.02457	0.5
284.03397	0.9
285.03888	0.7
299.01965	100.0
300.02713	36.3
301.03442	6.5
403.04395	0.8
461.07584	0.5
462.07993	14.1
463.02765	0.5
463.08588	1.9
622.24182	0.5
634.02081	0.6
859.23083	44.4
860.23358	6.8
1021.28314	33.4
1022.28998	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	1019.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	2.3
71.58704	1.3
83.01266	1.8
85.02825	1.7
87.00768	1.2
96.95893	1.8
107.01260	3.3
113.02319	1.2
117.85693	0.9
143.04877	1.1
151.00287	12.7
169.01260	1.3
178.99780	2.7
183.04436	2.2
195.45421	1.0
199.03963	9.6
211.03934	1.2
215.03465	3.9
227.03465	10.6
229.01408	0.9
230.46249	1.2
242.02150	6.3
243.02980	38.1
244.03348	2.4
255.02969	22.8
255.05481	1.8
256.03473	1.7
257.04562	3.7
270.01654	6.2
271.02481	58.7
272.03110	4.3
284.03226	2.6
284.57513	1.0
285.03992	12.0
286.04755	4.4
287.05682	1.6
299.01971	100.0
300.02673	30.4
301.02975	1.2
304.05667	1.2
313.03583	3.5
314.04318	92.8
315.05075	42.6
357.05911	1.5
373.13321	1.1
459.26154	1.0
602.42810	1.1
755.20172	2.8
769.22009	90.2
770.22174	9.2
931.33954	1.0
957.32800	1.5
959.31464	2.9
1019.34058	59.2
1020.34351	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	1019.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	17.0
72.99115	5.6
86.37041	5.4
87.00745	5.5
87.86908	6.1
89.02309	18.5
96.95898	5.8
99.92458	16.4
101.02318	20.1
104.95144	5.5
116.92751	88.8
125.02355	7.0
167.74634	5.8
171.10185	11.5
179.05495	8.9
183.34265	6.5
188.48355	5.4
197.11761	17.9
211.13211	12.2
253.53125	6.3
277.21695	21.2
291.19666	23.5
292.07269	5.5
293.21249	100.0
295.22726	6.1
309.20700	94.0
379.12625	9.4
397.13638	63.9
415.14636	29.9
625.49323	5.9
689.33478	8.1
689.62909	6.2
691.35339	8.0
706.94318	7.1
983.55237	8.1
1019.53619	70.0
1020.54669	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	1017.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	10.9
71.04890	0.5
71.15438	0.5
71.15785	0.9
72.99168	1.0
73.02818	1.2
79.64359	0.4
81.03317	1.1
83.01247	1.6
83.04884	0.9
85.02824	8.1
87.00742	2.1
89.02316	8.1
95.01295	0.7
95.04902	0.4
96.95886	2.1
97.02826	3.7
97.06472	2.7
99.00759	0.9
101.02322	8.8
111.08064	3.0
113.02324	4.3
119.03397	2.9
119.08500	0.7
123.08071	0.9
124.06125	0.5
125.02350	3.1
125.09601	1.7
127.11181	1.5
137.09633	2.1
143.03418	1.2
151.11179	0.5
155.10684	0.8
161.04463	2.5
163.11211	0.9
165.12767	1.6
167.10735	0.5
167.14317	0.7
169.12286	0.9
171.10179	20.7
177.12727	0.6
179.05553	3.0
181.12291	1.5
183.13809	2.4
185.11784	0.8
193.12215	1.0
197.11775	11.3
199.13411	0.9
201.11256	1.1
209.11760	1.7
211.13335	13.8
221.06741	0.8
221.11792	2.0
223.13419	0.6
227.12860	1.2
229.14409	9.8
235.08182	2.2
239.12828	1.5
247.20557	1.0
253.09253	0.8
263.07544	0.6
263.20227	0.9
273.18613	0.9
287.07681	0.7
291.19659	13.8
292.20102	1.0
293.21179	1.8
305.08658	1.0
309.20700	44.0
310.21109	2.2
323.09326	0.6
325.20261	0.5
327.21756	100.0
328.22113	4.7
343.21213	3.3
351.22318	0.5
379.12579	0.7
397.13507	24.9
398.13907	1.6
415.14581	18.8
415.19000	0.4
416.14801	0.9
433.82318	0.4
531.27643	0.5
619.42249	4.1
689.33813	0.6
707.34973	8.3
708.34808	0.5
725.36108	4.5
1017.55371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.4
71.02381	3.2
72.00780	3.1
85.03944	0.3
86.02341	0.3
87.00752	0.3
87.05525	0.2
89.02331	0.5
95.02390	9.5
96.00782	0.5
96.95888	0.2
101.02336	0.3
109.10548	0.2
111.01895	3.2
111.02599	0.1
113.03458	39.0
114.01861	30.7
114.03736	0.5
115.02242	0.3
119.03383	0.3
125.02345	0.3
131.04524	100.0
132.02872	0.2
132.04909	1.4
157.06093	0.7
161.04398	0.2
179.05515	0.3
200.12881	0.2
209.11775	3.8
210.12283	0.2
227.12920	1.1
230.55121	0.3
277.21686	1.8
297.79428	0.2
309.20996	0.3
327.21759	0.3
379.12537	1.0
397.13440	2.4
398.13739	0.3
415.14597	0.6
589.24957	0.5
607.26801	0.3
656.50787	0.2
1017.53705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95212	0.6
71.01256	1.8
71.02381	3.3
71.11747	0.2
72.00780	4.1
85.02827	0.7
85.03939	0.3
86.02357	0.5
89.02325	0.7
95.02386	9.1
96.00777	0.6
96.95898	0.8
99.00761	0.3
101.02338	0.9
111.01885	2.9
113.03458	39.2
114.01859	30.7
114.03716	0.6
115.02214	0.5
116.92761	0.3
125.02333	0.4
131.04521	100.0
132.04877	1.0
154.06190	0.3
157.06097	1.2
161.04434	0.3
164.85974	0.3
171.10231	0.7
179.05507	0.4
201.11359	0.3
209.11787	3.6
211.13318	0.7
227.12845	0.9
277.21710	2.2
309.20685	0.8
310.20728	0.3
327.21838	1.0
369.06046	0.3
379.12457	0.4
397.13498	3.3
415.14560	1.0
618.43121	0.3
675.36700	0.4
754.36237	0.3
794.14813	0.3
1017.53918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	1.5
71.58397	0.4
72.99172	0.3
73.02814	0.6
75.00754	0.7
83.01269	0.5
85.02836	1.1
87.00771	0.6
88.98679	100.0
89.02314	0.8
89.99019	0.7
96.95895	0.6
99.00760	0.9
101.02339	1.1
103.03912	0.5
113.02323	0.8
131.03340	0.2
141.64435	0.3
143.03415	0.5
161.04373	0.3
163.06010	0.3
164.66142	0.2
171.10199	0.8
205.07126	0.7
289.18015	0.5
309.20831	0.4
327.21741	1.4
397.13626	0.6
439.35889	0.4
696.13123	0.2
736.02948	0.3
741.37311	0.3
925.51642	20.1
926.52039	4.3
927.52997	0.5
1015.52539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	20.0
71.02859	1.5
71.06694	3.9
72.99168	2.0
73.02822	3.4
78.20915	1.2
81.03331	2.2
82.41673	1.2
83.01250	3.8
83.04897	3.9
85.02828	11.8
87.00750	4.0
89.02312	16.8
95.01292	2.5
95.04897	1.8
96.95879	6.6
97.02831	5.0
97.06458	6.8
99.00782	1.6
101.02333	16.1
109.06453	4.7
111.08015	2.9
113.02348	9.4
116.92713	3.3
119.03381	3.9
121.06483	1.6
125.02332	6.2
125.09576	5.0
127.11208	1.4
137.09584	3.6
143.03366	2.7
153.09094	1.9
161.04419	4.5
163.11177	5.1
165.12791	2.1
171.10193	30.8
172.10445	1.6
179.05513	5.6
183.13811	3.9
185.11731	4.7
191.14400	1.8
197.11765	15.9
199.13307	3.1
201.11212	4.0
209.11818	11.0
210.80685	1.4
211.13354	21.6
221.06653	2.6
221.11769	1.7
227.12781	4.2
229.14433	7.1
235.08180	4.3
235.13348	2.2
237.14836	1.5
239.12816	1.5
245.19025	6.6
247.20694	1.7
250.62099	1.5
263.19943	1.7
289.18094	24.8
291.19699	13.9
293.21146	6.1
305.08856	1.7
307.19128	26.6
309.20721	45.2
310.21155	1.9
325.20200	37.9
326.20337	4.1
327.21768	100.0
328.22092	5.0
341.19684	3.2
379.12350	1.7
397.13538	41.1
415.14575	21.8
607.26752	1.5
617.40564	2.1
705.32410	3.0
707.35217	4.6
723.35144	2.3
725.35834	3.1
809.44867	1.5
917.48047	2.5
1015.54297	8.6
1016.53137	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	1013.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	22.9
71.58511	0.6
72.99198	2.4
73.02821	4.1
75.00749	10.4
75.01185	0.8
76.89013	0.4
83.01260	2.8
85.02827	19.8
85.99980	2.9
87.00751	10.0
87.03886	0.5
87.04382	2.4
89.02323	4.1
95.01291	2.4
96.95860	1.1
99.00761	15.9
99.29848	0.5
101.02332	4.0
103.03879	1.1
112.01534	0.8
113.02327	12.9
115.03917	2.6
119.03370	0.7
122.51762	0.4
129.57558	0.4
131.03397	7.5
139.00261	1.1
143.03412	4.5
145.04907	0.9
157.01352	1.1
163.06052	0.9
192.47478	0.4
198.17421	0.4
205.07091	2.6
246.65063	0.4
246.67674	0.4
374.73669	0.5
442.57242	0.5
717.42938	2.7
890.70123	0.5
937.51532	0.8
951.52734	0.7
995.52338	1.7
1013.53290	100.0
1014.53571	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	1011.59
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	16.4
77.63881	3.5
78.41336	3.8
84.93785	3.5
89.02339	11.5
93.35844	3.3
98.20638	9.1
101.02325	11.9
113.02300	4.7
130.26108	3.4
179.05571	4.8
195.13847	6.1
275.20169	7.9
277.21735	46.6
278.22006	4.6
293.21191	100.0
300.08105	3.8
311.30713	3.9
397.13419	40.6
409.72995	4.0
415.14603	13.8
779.63129	4.4
1019.88220	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	1011.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	22.6
72.01559	0.5
72.99184	2.6
73.02823	5.2
75.00749	8.1
81.03315	0.5
83.01250	4.0
85.02827	13.8
85.99960	1.1
87.00749	8.4
87.04371	2.0
88.96316	0.3
89.02315	6.7
95.01259	3.6
95.08582	0.4
96.95882	0.6
97.02799	0.8
98.19793	0.9
99.00759	11.0
99.04357	0.4
101.02323	11.3
103.03893	2.5
111.00785	0.5
113.02342	9.3
115.00253	0.5
115.03870	1.9
119.03352	1.5
125.02316	0.9
131.03424	4.0
135.76277	0.3
139.00250	0.6
143.03387	5.2
145.04921	0.7
157.01318	1.0
161.04462	1.3
163.06056	3.1
196.69331	0.4
205.07123	4.0
213.00690	0.3
230.09930	0.4
247.08276	0.7
255.52766	0.4
268.60400	0.4
439.35928	1.1
481.37088	2.4
509.40433	0.7
547.01715	0.4
548.23358	0.4
551.40863	2.1
595.39734	0.8
623.39490	0.8
641.40466	1.0
759.46814	0.9
760.47003	0.4
902.25543	0.4
905.52631	1.5
925.51672	1.0
949.51471	4.1
950.53107	0.8
967.52710	100.0
968.52960	20.8
1011.51758	11.4
1012.52380	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	1011.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	39.4
71.06965	1.2
72.99170	4.4
73.02827	7.0
74.61256	1.5
75.00751	14.6
78.23299	1.4
83.01260	7.5
85.02824	23.2
85.10443	1.5
85.99980	1.6
87.00756	14.6
87.04395	3.2
89.02327	9.9
95.01263	5.7
96.95883	4.4
97.02847	1.5
98.20584	2.7
99.00763	15.9
101.02332	13.3
103.03895	3.9
111.00762	1.6
113.01595	2.1
113.02337	15.9
115.03884	1.7
119.03426	3.3
124.81320	1.3
131.03413	7.3
143.03378	5.7
157.01352	1.5
161.04457	1.9
163.06058	4.0
168.99112	1.5
205.07109	5.9
263.41345	1.3
481.36646	1.5
551.40845	1.9
640.01129	1.4
641.40533	1.7
949.51880	4.1
967.52759	100.0
968.53314	16.5
1011.51874	58.6
1012.52081	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	1009.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	2.1
72.01598	0.4
73.02815	0.4
75.00742	0.9
85.02827	1.1
85.95712	0.3
89.02335	0.5
95.04913	0.3
96.95864	0.5
97.02840	0.6
97.06486	1.2
99.00756	1.0
101.02328	0.4
111.07972	0.4
113.02335	0.9
113.09610	1.5
115.07520	0.8
123.07985	0.3
124.20590	0.3
125.02354	0.5
125.05933	0.5
126.02673	0.3
127.07520	0.4
129.55269	0.3
131.03383	1.0
139.11118	0.3
141.09122	0.9
147.33109	0.3
151.11211	0.4
165.12793	3.1
167.10707	0.4
167.14310	1.4
171.10214	2.2
181.12270	3.8
183.13843	0.6
191.05476	0.3
193.12260	1.3
193.16016	0.4
195.13849	1.2
209.11739	0.4
211.13374	2.5
213.14961	0.7
217.16025	0.3
221.15471	1.5
229.14435	0.6
229.43961	0.4
239.12706	0.5
240.13651	1.6
241.14264	0.4
247.20694	3.9
263.20190	0.5
273.18610	1.9
281.21216	1.3
291.19681	24.4
292.19897	1.7
309.20715	100.0
310.21085	6.4
435.19870	0.3
491.71207	0.3
602.49255	0.3
758.80475	0.4
845.43237	0.4
1009.52759	7.6
1010.53247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	27.7
72.99170	2.2
73.02826	2.8
75.00745	9.3
83.01257	3.8
85.02827	17.2
85.99963	1.3
87.00747	4.1
89.02321	7.1
95.01260	1.8
96.95902	1.0
97.02827	5.7
99.00762	10.1
101.02334	4.7
111.00781	0.7
113.02335	10.1
120.01147	0.7
125.02339	8.3
131.03400	12.5
133.82098	0.7
149.04521	1.0
177.96193	0.7
191.05533	7.7
209.11876	0.7
222.18741	0.6
223.09798	0.8
262.11795	0.8
291.19501	0.6
309.20712	1.6
565.39270	1.5
644.90662	0.7
704.16315	0.7
734.31219	0.7
989.51202	2.1
1007.52240	100.0
1008.52423	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	1007.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.3
71.57786	0.1
71.58181	0.1
73.02823	0.1
76.17275	0.1
78.95786	0.1
79.95612	5.6
85.02843	0.2
87.00754	0.1
88.98685	0.1
94.97965	0.1
96.95895	100.0
97.95838	0.3
99.00781	0.1
101.02323	0.1
113.02351	0.1
114.93314	0.1
116.52166	0.1
164.95657	0.1
178.30255	0.1
221.15599	0.1
291.52170	0.1
613.37195	0.1
909.48352	1.2
910.49774	0.2
947.44666	0.1
1007.44806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.9
89.11820	0.2
93.03333	0.6
106.56251	0.2
107.01276	1.5
114.36201	0.2
117.03345	1.2
121.02847	0.5
132.02089	0.6
135.00758	0.4
145.02852	0.3
151.00288	3.1
155.04961	0.3
159.04428	0.5
163.00261	0.7
167.04915	0.5
169.01338	0.7
171.04381	0.3
178.99832	0.8
182.03694	0.5
183.04433	3.5
185.02359	0.5
187.03860	0.4
199.03906	0.5
211.03944	2.7
215.03481	0.4
227.03445	24.7
228.03896	1.5
229.05020	1.0
230.25018	0.4
239.03435	0.9
241.04904	0.5
243.02971	0.3
251.62622	0.3
255.02965	68.6
256.03537	6.7
257.04514	1.6
283.02472	46.2
284.03241	69.9
285.03940	16.1
286.04327	0.5
300.02664	0.3
313.03445	0.4
321.83328	0.2
326.04303	0.9
327.05057	0.6
393.06287	0.6
446.08499	3.4
447.08887	0.4
553.19025	0.3
630.77771	0.3
721.19415	0.9
843.23511	100.0
844.23840	17.1
885.24792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	11.2
71.58071	0.7
72.99168	1.1
73.02811	2.3
75.00738	3.8
83.01256	1.5
85.02418	0.6
85.02837	6.9
85.99985	0.8
87.00735	2.7
87.04377	1.2
88.98701	0.5
89.02317	3.4
95.01277	1.6
96.95884	0.5
97.02841	0.5
99.00768	6.0
101.02332	5.2
103.03859	1.1
113.02340	5.2
115.03883	1.1
119.03426	0.8
124.96355	0.5
127.03949	0.6
128.59424	0.5
131.03386	2.6
143.03413	2.6
157.01312	1.0
163.05998	0.8
187.51971	0.5
193.75279	0.6
205.07140	2.3
254.70039	0.5
325.84357	0.5
451.79919	0.7
453.33682	2.6
455.35342	3.1
523.37750	1.6
537.35858	1.0
551.37128	0.6
569.38580	2.6
613.37274	3.6
713.43152	1.7
731.43311	1.4
901.82813	0.5
910.58752	0.7
921.48773	1.4
939.49634	100.0
940.49841	18.2
1002.51428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46329	0.3
70.02872	0.4
71.00846	0.5
71.01255	9.9
72.99174	0.6
73.02826	1.0
81.03325	0.7
83.01263	1.0
83.04906	0.5
84.02029	0.4
85.02827	9.6
87.00758	2.3
88.98708	0.4
89.02322	7.8
89.68922	0.3
96.95896	1.3
97.02833	2.9
97.06463	2.3
99.00760	0.6
101.02329	6.8
111.04432	0.4
111.08035	0.6
113.02325	3.8
113.03458	1.2
113.72878	0.3
114.01853	1.1
116.92752	0.6
119.03391	2.3
119.08555	0.5
125.02341	3.1
125.09602	1.2
127.11192	1.1
131.03551	0.5
131.04520	3.1
137.09615	3.3
143.03412	1.2
149.04521	0.4
155.10658	0.9
161.04463	2.0
165.12764	0.6
167.14365	0.4
171.10194	28.4
172.10558	1.3
177.12769	0.7
179.05534	3.0
179.14311	0.4
183.13815	2.4
185.11734	0.6
193.12288	0.6
195.13857	3.8
196.14423	0.5
197.11777	0.5
201.11246	1.6
209.11804	1.4
211.13348	11.7
212.13725	0.5
221.06551	1.9
221.11838	1.7
223.13344	2.3
225.14835	0.4
228.13751	0.4
229.14415	7.3
234.85260	0.3
235.08235	2.4
239.12886	1.3
247.20543	0.5
251.16348	0.4
253.09190	0.7
256.13123	0.7
275.20227	2.0
291.19635	4.1
293.21240	39.3
294.21698	2.3
305.08804	1.3
309.20737	10.0
310.20947	0.8
323.10086	0.6
327.21774	100.0
328.22092	5.3
351.21677	0.5
397.13498	15.8
398.13919	0.9
415.14590	17.4
416.14905	0.8
545.29810	0.6
565.72009	0.3
603.42822	4.1
604.43872	0.5
691.35553	1.2
707.34973	6.6
708.34473	0.5
725.36121	6.5
726.37396	0.5
749.91498	0.4
904.57495	0.4
1001.56311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.7
69.07059	0.5
71.58595	0.7
73.02921	2.5
73.26269	0.4
79.05505	1.7
81.03427	1.4
81.07062	2.7
85.02904	3.6
91.03944	1.9
91.05495	1.6
93.07040	1.7
95.04995	0.7
95.08585	1.8
97.02884	3.6
101.02420	1.5
104.43311	0.4
105.07044	1.0
107.08609	1.1
109.02894	0.8
109.10178	0.4
115.03917	0.4
121.10114	0.8
127.03946	1.3
127.95899	0.3
128.69035	0.4
129.90085	0.4
133.10188	0.4
185.04349	0.6
203.05180	0.4
243.08441	1.8
292.34146	0.4
333.20566	1.1
335.25781	0.5
347.09668	1.7
365.10571	0.7
405.13721	5.0
506.63226	0.4
519.29309	3.8
520.31049	0.4
551.28406	2.2
670.01678	0.5
681.34558	5.3
713.33838	2.2
829.51868	0.6
882.04761	0.4
991.55939	100.0
992.56189	8.7
1017.39575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.8
71.01384	0.4
71.57273	0.4
73.02922	2.1
73.03278	0.4
79.05504	1.6
81.03410	1.2
81.07050	2.1
82.36444	0.4
85.02903	3.8
91.03947	2.2
91.05472	2.6
93.07022	2.8
95.04974	0.7
95.08609	1.2
97.02878	3.5
101.02367	1.1
105.07054	1.7
107.08598	0.9
109.02831	0.5
109.10178	0.8
111.62033	0.4
115.03927	0.6
119.08592	1.6
121.10159	0.8
127.03910	0.9
131.08546	1.0
133.10211	0.9
135.11777	0.5
143.08641	0.5
145.10135	0.5
146.67223	0.4
147.11761	0.8
149.09740	0.4
150.68437	0.4
171.80669	0.4
184.11877	0.4
185.04193	1.0
201.03857	0.9
203.05402	1.2
222.27850	0.4
241.06631	0.4
243.08371	2.2
259.07947	0.5
259.20786	0.6
284.45718	0.5
301.08917	0.8
313.09207	0.5
315.10681	0.7
317.21054	0.5
347.09467	3.7
363.09158	1.6
365.10648	1.1
405.13715	6.7
409.41122	0.5
425.86258	0.4
463.14432	1.5
465.21155	0.9
475.14441	0.5
477.15741	1.1
503.17264	0.7
531.20471	0.5
535.28705	5.7
545.21838	0.4
559.23944	1.2
627.26044	0.8
629.29218	0.4
687.28552	0.8
697.34021	9.9
698.33752	0.5
769.35974	1.3
829.50806	0.8
958.78088	0.5
991.55939	100.0
992.56226	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	991.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.4
69.03426	1.3
69.07056	1.1
70.78820	0.5
71.01349	0.3
71.04987	6.2
72.58469	0.2
73.02905	0.7
75.04451	0.3
77.35520	0.2
79.05486	1.5
81.03414	1.3
81.07034	0.8
83.04485	0.3
83.04977	5.2
85.02901	11.6
87.04476	0.3
91.05457	1.6
93.07031	1.4
94.04141	0.2
95.04957	1.7
95.08597	0.4
97.02878	1.2
97.06526	3.0
98.21380	0.3
99.04449	1.3
101.05976	0.2
103.05446	0.4
105.04548	0.2
105.07021	3.9
107.04958	1.3
107.08588	1.3
109.02895	1.0
109.06513	1.2
111.00806	0.5
111.04432	2.4
115.05405	0.2
117.05510	0.3
117.07025	0.9
119.04954	0.9
119.08572	0.9
121.02848	2.4
121.06499	2.3
121.10103	0.3
123.04424	0.5
123.08005	0.3
125.05982	4.9
127.03905	1.1
128.06241	0.2
129.05478	2.3
129.06940	0.5
130.07755	0.4
131.08539	1.1
133.02853	0.3
133.06465	0.7
133.10081	0.5
135.04407	0.5
135.08069	0.3
135.11649	0.2
136.06171	0.7
137.02324	0.6
137.05977	1.4
141.05391	0.2
141.06964	0.4
143.07031	4.1
143.08510	0.6
144.09338	0.4
145.04895	0.5
145.06453	0.8
145.10115	6.1
147.04404	1.1
147.06523	0.5
147.08044	0.3
147.11739	0.4
151.03877	0.4
151.07539	1.0
153.01819	3.4
153.05486	0.8
154.07710	0.3
155.08508	0.2
157.05014	0.2
157.06482	0.5
157.08572	0.5
157.10081	0.4
158.07278	0.7
159.08078	0.7
159.11674	2.4
161.05988	0.4
161.09625	0.3
163.06097	0.3
163.07535	0.4
163.11172	2.9
165.01837	1.7
167.06990	1.0
169.10097	0.8
171.04359	0.2
171.06557	0.2
171.11623	0.3
172.08797	0.4
173.06114	0.2
173.09608	4.3
173.11018	0.3
175.07549	0.2
177.05470	0.5
177.12770	0.8
181.04938	0.2
181.12222	0.3
183.02864	1.1
185.05960	0.4
187.11153	3.9
189.12778	0.3
191.10683	1.8
197.09648	0.8
203.06825	0.2
205.08730	0.2
205.12257	3.8
209.08118	0.3
209.11710	0.6
213.05501	1.4
215.10649	4.8
231.06485	0.7
233.11700	5.2
239.09137	0.3
241.05023	0.8
251.12781	3.2
258.05289	1.0
259.06015	0.5
267.15820	0.4
269.13901	1.0
287.05478	100.0
288.05789	1.8
299.05527	0.9
329.06519	0.5
341.13837	0.3
353.06546	0.5
355.11832	0.3
361.02402	0.3
395.16873	0.7
413.08646	0.3
413.17911	1.7
431.09622	0.3
433.11255	0.5
449.11316	0.3
495.12769	0.4
699.22296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.5
69.03426	1.5
69.07050	1.0
70.80112	0.5
71.01316	0.3
71.04985	6.0
73.02909	0.4
75.04445	0.3
79.05464	1.4
81.03403	1.0
81.07041	0.9
83.04487	0.3
83.04972	5.6
85.02895	12.5
87.04462	0.3
91.05466	1.5
93.07027	1.7
95.04963	1.5
95.08580	0.5
97.02893	1.5
97.06519	3.2
99.04439	1.2
101.06000	0.2
103.05443	0.4
105.03387	0.4
105.07021	3.6
107.04958	1.4
107.08584	1.2
109.02870	1.2
109.06498	1.2
111.00784	0.7
111.04430	2.3
113.06016	0.3
115.05445	0.2
116.39589	0.2
117.06997	0.9
119.04926	0.6
119.08566	0.9
121.02852	2.7
121.06487	2.3
123.04417	0.2
125.05981	4.8
127.03905	1.4
128.06169	0.4
129.05466	2.3
129.06955	0.3
130.07784	0.4
131.08569	1.1
133.02809	0.5
133.06474	0.7
133.10110	0.6
135.04393	0.3
135.08051	0.3
135.11638	0.4
136.06120	0.3
137.02332	0.6
137.05959	1.2
139.07503	0.2
141.06943	0.4
143.07025	3.9
143.08485	0.5
144.09315	0.3
145.04951	0.4
145.06467	0.8
145.10104	5.9
147.04393	0.9
147.06497	0.5
147.08081	0.4
147.11690	0.5
149.05952	0.2
151.03889	0.3
151.07516	0.9
153.01793	3.0
153.05418	0.8
154.07724	0.3
155.08528	0.3
157.06441	0.5
157.08549	0.5
157.10097	0.3
158.07292	0.8
159.08000	0.5
159.11653	2.3
161.05946	0.2
161.09624	0.2
163.06024	0.2
163.07458	0.3
163.11153	3.1
165.01816	1.6
167.06995	0.6
169.10118	0.7
171.06580	0.2
171.08025	0.3
171.11827	0.3
172.08777	0.3
173.09605	4.3
175.07483	0.2
175.11224	0.2
177.05424	0.4
177.09047	0.2
177.12718	0.7
183.02893	0.8
185.06029	0.5
187.11157	4.2
189.05417	0.2
189.09055	0.2
189.12698	0.4
191.10661	1.9
197.09561	0.6
199.05911	0.3
201.07504	0.2
203.06967	0.3
205.12221	3.6
207.13864	0.3
209.11697	0.7
213.05429	1.5
215.10667	4.5
221.11688	0.2
223.13155	0.2
227.12769	0.3
231.06491	0.7
233.11682	5.4
239.09106	0.5
241.04909	0.9
251.12752	3.5
258.05234	1.1
259.06030	0.5
269.04755	0.2
269.13846	0.9
286.37238	0.2
287.05463	100.0
288.05750	1.9
293.12076	0.2
299.05438	1.0
311.05499	0.2
329.06647	0.6
343.15683	0.3
353.06378	0.4
361.16443	0.3
362.93130	0.2
365.06436	0.4
395.07526	0.3
395.16888	0.8
397.08972	0.3
397.18295	0.4
413.08771	0.4
413.17987	1.9
431.09073	0.2
433.11099	0.6
449.10455	0.3
495.12967	0.5
699.22650	0.7
898.98755	0.2
918.46539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.5
69.07074	14.0
71.05005	2.7
73.02905	4.2
79.05483	34.6
79.05910	3.4
79.29979	2.1
81.03410	4.5
81.07055	39.2
82.07404	2.8
83.04964	3.3
83.08617	8.5
85.02905	12.1
85.06533	4.0
91.03947	4.3
91.05476	38.4
93.01282	2.0
93.07037	32.3
95.04962	7.5
95.08614	26.2
95.25282	2.2
97.02878	2.9
98.20708	4.8
105.07022	35.5
107.08601	23.7
109.06500	2.9
109.10178	11.5
111.08138	2.9
117.07008	21.2
119.08573	24.3
121.06499	2.4
121.10149	14.0
123.08028	3.7
123.11684	3.5
125.09665	2.3
127.03930	2.7
128.06233	3.8
129.06993	11.4
130.07774	2.4
131.08571	27.8
133.10156	17.0
133.81709	2.2
135.11668	11.1
136.06166	15.8
137.06531	3.2
141.06992	4.4
142.07750	4.0
143.08563	13.7
145.10139	22.4
147.11661	13.9
149.13301	5.0
153.07033	2.6
155.08571	10.5
157.10147	14.3
159.11708	17.0
161.13274	8.0
167.08543	3.4
169.10133	11.3
171.11630	17.2
173.13254	8.6
175.14851	4.4
181.10112	7.4
183.11725	12.1
185.13220	8.5
187.14848	6.5
193.10136	3.2
195.11671	7.9
197.13216	9.0
199.14819	7.3
199.24623	2.2
207.11705	2.6
209.13324	5.4
211.14801	5.3
221.13261	5.1
223.14815	4.4
225.16374	2.9
226.73848	2.0
227.18028	3.5
237.16414	3.4
239.18007	4.8
249.16476	2.3
251.18042	2.6
257.18982	7.1
259.20599	5.6
265.19501	3.0
285.22397	2.8
325.29459	2.7
333.24139	5.0
335.26010	2.8
517.40295	11.9
529.39331	2.8
535.41473	5.0
539.37030	2.5
591.43927	6.2
609.45062	100.0
610.45068	9.0
661.46674	3.5
662.47058	4.4
717.46423	3.4
771.50122	3.6
815.01483	2.6
824.52155	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	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.8
69.07063	20.2
70.00769	3.1
70.01182	2.3
71.04993	3.7
71.08632	1.2
73.02914	2.6
77.03934	1.8
79.05487	55.1
81.03418	7.6
81.07050	69.1
83.04973	7.0
83.08610	11.6
85.02895	7.9
85.06531	2.8
91.03952	3.7
91.05476	44.7
93.07037	57.9
94.07387	1.2
95.04966	11.1
95.08599	42.7
96.09024	1.1
97.02884	7.7
97.06536	7.3
97.10154	7.4
99.04453	1.2
99.08079	1.5
103.05481	2.1
105.07027	34.4
106.83772	1.3
107.04963	4.2
107.08582	38.0
109.02878	1.4
109.06499	5.4
109.10154	24.1
111.08076	3.6
111.11706	1.2
115.05459	1.4
117.07020	14.4
119.08573	23.2
121.06540	1.9
121.10136	20.4
123.08076	3.2
123.11707	6.7
125.09612	6.8
127.03893	5.0
129.05498	2.1
129.06970	6.2
131.08569	18.8
133.10118	20.2
133.11087	1.5
135.08064	2.7
135.11676	14.9
137.05865	1.4
137.09607	3.0
137.13258	1.2
139.11169	1.1
141.06938	1.6
143.08601	5.1
145.04991	1.8
145.10100	19.2
145.11143	1.7
147.08015	1.4
147.11676	10.5
149.09584	8.6
149.13239	9.4
151.11209	1.4
155.08562	2.5
157.10095	5.1
159.11661	14.2
161.09653	1.5
161.13235	6.5
163.06038	1.6
163.11183	4.1
163.14841	2.8
165.12704	1.3
169.10156	2.0
171.11702	4.2
173.04477	3.4
173.09682	1.5
173.11743	4.9
173.13286	8.8
175.14792	2.6
177.12729	3.3
183.11644	2.6
185.13290	3.4
187.14781	2.5
189.11272	3.4
189.12825	1.2
195.13809	1.4
197.13286	2.0
199.14870	2.6
201.16330	2.0
203.14413	1.6
213.16460	1.4
215.14433	1.4
215.17931	1.1
217.16087	1.2
219.17419	2.4
227.12796	8.2
229.14278	14.1
233.22813	1.3
235.16896	1.2
239.17964	3.3
243.21111	4.2
255.15933	4.0
257.18985	7.1
259.20526	2.5
261.22128	12.4
269.17441	11.0
275.17010	0.9
275.20038	26.1
291.19550	1.2
293.21191	2.4
309.20578	5.0
315.22812	1.2
317.24854	1.7
331.22699	2.8
333.24319	2.7
335.25781	100.0
336.26147	4.4
349.23679	23.8
351.25504	1.1
352.25266	1.1
367.24832	3.1
413.21851	1.4
480.28711	1.2
489.35797	13.3
515.37231	8.3
529.38922	39.1
530.39081	1.6
569.41943	14.8
609.45044	37.8
610.45648	3.6
627.46051	8.1
673.42712	1.8
771.49432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43964	1.9
77.75835	0.7
100.12384	0.7
136.95305	0.8
301.27505	0.8
310.06790	0.7
321.89972	0.7
366.88177	0.8
408.31281	0.8
547.40997	0.7
570.00806	0.8
697.32434	1.9
975.54309	100.0
976.54871	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	974.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	4.7
69.07056	6.2
71.01356	1.1
71.04593	2.5
71.04987	49.4
73.02910	4.1
75.04478	6.0
79.05495	4.9
81.03429	1.8
81.07048	19.2
83.04974	20.7
83.08607	6.2
85.02897	100.0
85.06487	1.4
86.06001	1.1
86.09700	3.2
86.66364	1.1
87.04471	1.6
91.03947	10.0
91.05465	7.0
92.67086	1.0
93.07033	12.9
95.01320	8.1
95.04977	2.1
95.08598	43.1
96.08901	1.1
97.02881	12.6
97.10181	2.6
98.20792	2.2
99.04451	2.1
103.03946	3.0
105.07037	9.6
107.04997	1.1
107.08585	21.1
108.75347	1.3
109.02884	3.2
109.06500	1.4
109.10140	22.6
111.04435	20.9
111.08105	1.2
115.03918	2.7
118.06533	3.5
119.08580	16.3
119.47433	1.0
120.08096	2.7
121.06559	1.3
121.10136	22.6
123.11703	13.1
127.03897	11.3
129.05464	38.7
129.06386	2.2
131.08551	3.9
133.10121	9.4
135.11678	13.2
136.06203	2.4
137.05978	1.5
137.13240	11.4
139.03857	1.6
141.01814	34.0
145.04961	13.4
145.10112	10.2
146.05980	6.0
147.04515	1.6
147.06506	22.7
147.11688	12.2
149.13235	12.8
151.14798	2.2
157.10088	4.5
159.02869	9.1
159.11690	9.3
161.09564	1.2
161.13240	11.1
163.06000	24.8
163.07198	1.1
163.11128	1.5
163.14810	6.9
164.09233	1.7
165.07579	1.6
169.10086	1.2
171.11690	3.3
173.13222	7.2
173.95584	1.2
175.14865	6.2
177.03958	3.2
177.16415	5.5
179.10724	1.5
179.17911	2.5
183.11638	1.3
185.13246	3.0
187.14793	7.9
189.16342	9.4
191.17938	30.0
191.19612	2.1
197.13292	1.2
199.14729	3.2
201.16353	13.2
203.17952	14.7
205.15958	1.0
205.19595	8.1
213.16367	3.2
215.17958	3.5
217.15930	2.5
217.19461	7.9
219.13805	2.6
219.21025	3.0
227.17818	1.7
229.19360	1.7
231.13831	2.0
233.15379	5.5
243.21172	2.0
244.76909	1.3
245.15355	2.0
245.22476	1.5
247.16948	7.6
249.18483	2.5
255.08640	4.7
259.16858	3.1
261.18631	1.4
263.16467	2.5
269.06470	3.9
273.09683	3.9
277.18030	2.1
287.07635	4.0
287.19974	2.0
303.19635	1.5
305.08646	7.1
305.21170	2.6
309.11685	5.8
321.08057	2.9
323.09579	2.5
339.09122	3.8
391.33597	3.4
393.35165	2.3
397.30945	1.3
409.34705	6.3
419.32675	1.7
437.34131	18.3
438.34369	1.2
439.35730	14.6
455.35178	56.4
456.35510	1.8
551.22797	1.8
632.36359	1.4
702.24774	1.3
794.42365	1.3
845.37787	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	974.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.2
69.06728	0.8
69.07064	9.8
71.04962	0.9
71.28104	1.2
73.02912	5.3
79.05487	6.1
81.03399	1.5
81.06585	1.2
81.07053	23.0
83.01324	0.6
83.08612	7.2
85.02896	29.2
91.03946	13.9
91.05448	4.0
93.07037	16.7
95.01318	7.8
95.04908	1.1
95.08597	46.6
97.02881	16.2
97.10160	4.7
99.00785	1.1
99.04440	1.3
101.02386	0.8
103.03927	1.7
105.07017	10.4
107.08583	26.1
109.02882	1.5
109.10144	29.5
110.10511	0.6
111.11721	1.3
113.02369	1.2
115.03878	0.8
117.06942	0.9
119.08567	20.8
121.10130	28.2
123.00740	0.7
123.11690	16.0
127.03910	13.2
127.90275	0.6
131.03358	1.3
131.08522	4.3
133.10123	16.8
135.11676	21.1
137.13240	9.8
137.14244	1.0
139.07494	1.0
141.01813	39.3
143.08540	1.1
145.04951	21.8
145.10114	8.4
147.11667	14.1
147.12793	1.1
149.12036	1.3
149.13240	24.9
151.14713	0.8
153.09111	2.7
157.10147	1.1
159.02872	8.3
159.11664	5.5
161.13235	9.4
163.06006	39.4
163.14806	7.5
165.09189	0.8
167.10674	1.5
171.11710	1.3
173.13245	5.7
175.14827	6.9
177.03952	3.9
177.16359	7.0
179.10683	1.8
179.17897	1.9
185.13324	1.0
187.14767	4.4
189.16362	29.9
190.16765	0.8
191.10625	0.8
191.17928	50.9
192.18349	1.2
193.12215	0.8
199.14821	1.0
201.16356	31.0
203.17941	38.4
204.18321	0.8
205.19493	30.3
207.17471	1.4
213.16397	3.4
215.17926	15.6
217.19502	10.5
219.17476	1.9
221.15361	1.4
227.17978	1.7
229.19531	2.5
231.20966	3.3
235.16902	5.8
241.19527	2.4
243.21060	4.1
245.22676	2.9
247.16924	23.1
249.18471	8.5
255.21130	2.7
257.22614	1.4
261.18445	8.4
269.22714	2.2
273.18436	0.9
275.20032	0.9
283.24002	0.8
285.05911	1.1
287.19946	1.3
289.21741	3.1
297.25720	0.9
301.21542	1.4
303.07169	0.8
315.23212	1.2
321.08121	5.8
339.09125	1.9
355.26074	1.0
361.14532	0.7
393.35114	13.6
411.36267	1.6
421.34476	0.8
432.53604	0.7
439.35666	100.0
440.35983	4.1
707.49475	0.7
717.08282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	17.4
69.07068	6.9
70.06546	4.7
71.01359	2.7
71.04989	1.2
71.08630	1.1
73.02912	26.1
76.04025	0.9
79.05489	7.0
81.03407	3.1
81.07052	25.3
83.01335	1.1
83.08617	6.0
85.02901	47.8
85.08663	0.8
87.04478	2.2
91.03968	1.2
91.05473	8.9
93.07040	16.1
95.01312	11.2
95.04974	3.4
95.08603	51.5
96.08904	1.4
97.02883	36.9
97.06504	1.3
97.10153	3.6
99.00808	1.9
99.04446	1.9
101.02375	2.4
103.03919	2.6
103.05476	1.1
105.07019	24.8
105.07684	1.7
107.04964	1.1
107.08587	29.7
109.02872	2.6
109.06495	1.2
109.10146	25.5
111.04427	1.9
111.08080	2.4
111.11741	1.1
113.02390	1.1
115.03928	12.0
117.07002	1.9
119.08573	44.4
120.99831	0.9
121.06528	2.5
121.10137	26.9
123.00821	1.4
123.04512	1.1
123.08060	5.0
123.11690	9.9
125.02403	1.2
125.05956	1.2
127.03904	16.3
129.06943	1.4
131.03406	1.8
131.08568	10.9
133.04948	8.0
133.10126	32.7
133.11089	1.8
135.08047	1.1
135.11679	19.8
136.06197	3.9
137.02419	1.0
137.06001	3.0
137.13242	2.9
137.96265	0.9
139.03934	1.4
139.07509	1.3
141.01820	41.4
143.08543	2.2
145.04961	15.1
145.10110	25.6
147.04395	1.8
147.08014	2.3
147.11685	29.4
149.09604	1.3
149.13248	19.9
150.07603	1.4
151.03925	1.3
151.52092	0.9
153.07127	1.0
153.09135	2.1
155.03429	1.1
157.04979	1.4
157.10126	4.2
158.83919	1.2
159.02919	5.6
159.11679	14.1
161.09662	7.5
161.13246	20.4
163.03922	1.0
163.06001	5.1
163.07474	0.9
163.11145	1.8
163.14825	21.9
164.15138	1.0
165.09082	1.5
165.16458	1.1
167.06984	1.3
167.10712	1.5
169.10080	1.1
171.11697	4.5
173.13264	17.6
175.14822	38.9
177.03897	1.6
177.09160	1.3
177.16368	18.4
179.10658	1.3
180.08676	3.1
181.04938	1.6
183.11624	2.2
185.13280	4.2
187.14816	51.4
188.15195	1.3
189.12779	6.7
189.16370	60.0
190.16577	1.4
191.14294	25.1
191.17921	32.2
193.15854	2.2
197.13211	1.4
199.14853	5.7
201.16374	37.2
203.14273	3.0
203.17953	50.0
205.15924	3.2
205.19464	6.9
207.17479	3.1
213.16353	4.2
215.14391	1.5
215.17914	8.1
217.07135	2.7
217.15923	2.9
217.19594	2.9
219.04962	1.8
219.13815	2.6
219.17462	1.7
221.15369	11.5
221.18929	1.6
225.16469	1.8
227.17914	5.1
229.15878	1.8
229.19536	5.5
231.17464	2.6
231.21188	2.1
233.15407	2.5
235.16893	6.3
239.18016	2.6
241.19530	2.8
247.16881	10.6
247.20631	1.4
249.18468	13.6
253.19402	1.2
255.04977	1.7
255.21054	1.5
259.16901	1.7
261.18442	7.1
267.21280	2.1
269.22601	1.1
273.06100	3.2
275.20059	2.4
281.22577	2.2
283.24258	1.3
287.19995	1.4
291.07043	2.2
295.24326	1.6
299.20145	1.5
327.23160	1.7
355.26422	1.5
377.32013	11.9
393.35211	1.9
395.33084	57.3
396.33624	1.6
397.34619	3.1
405.31619	7.4
423.32571	90.3
424.32809	3.5
425.34106	2.9
433.30933	1.4
437.34189	1.2
439.35736	23.9
441.33630	100.0
442.33859	2.8
451.32065	9.9
469.33170	33.9
470.33228	1.3
487.34048	3.7
537.35687	3.5
581.34625	6.5
583.35968	3.8
599.35345	2.3
601.37457	1.2
603.38245	1.3
609.34106	3.0
627.35406	5.4
965.26373	1.0
1008.23932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	6.5
69.07059	12.2
69.62101	6.8
71.01338	1.3
71.04984	3.1
73.02911	17.1
79.05482	9.0
81.03407	2.7
81.07050	32.0
83.04953	1.5
83.08623	4.7
85.02898	64.6
91.03947	39.5
91.05461	10.5
93.07036	24.9
95.01323	23.2
95.01945	1.0
95.04945	2.0
95.08598	53.8
97.02882	31.3
97.10165	2.3
99.00805	2.7
99.04456	2.7
101.02370	2.6
101.21943	0.8
103.03963	4.9
105.07018	33.2
107.07861	2.0
107.08588	41.0
109.02863	2.9
109.06498	1.0
109.10149	40.0
111.08077	16.8
111.11707	1.8
113.02348	5.7
115.03965	1.7
117.07016	2.4
119.08571	42.7
121.10130	30.6
123.00781	1.5
123.11688	10.1
127.03906	27.9
129.05502	2.0
129.06934	1.7
131.03404	4.1
131.08548	11.2
133.10120	35.9
135.11679	15.3
137.05942	1.8
137.13246	2.4
139.11150	2.9
141.01811	100.0
143.08565	3.2
145.04950	29.2
145.09253	0.6
145.10109	21.7
147.11674	34.6
149.13248	57.7
151.11169	1.2
153.09100	2.3
155.08554	1.8
157.10138	3.8
159.02875	23.1
159.11684	22.2
161.09627	0.9
161.13245	32.4
163.06003	56.8
163.11093	1.0
163.14807	22.6
165.09097	1.0
165.12689	1.1
167.10667	1.2
169.10115	0.9
171.11650	4.5
173.13248	13.0
175.14810	21.9
175.16273	1.5
177.03947	7.1
177.16376	23.0
183.11752	1.3
185.13229	3.9
186.13997	0.9
187.14819	18.4
189.16362	60.9
190.16711	1.2
191.17940	10.3
193.15837	1.2
197.13188	1.9
198.96896	0.9
199.14812	4.7
201.16373	32.8
203.17940	60.4
204.08760	1.2
204.18213	1.2
205.15868	9.9
205.19470	5.0
207.17430	18.3
211.14836	1.6
213.16345	8.4
215.17921	19.7
217.15907	2.8
217.19423	4.5
219.17377	5.0
221.15369	2.0
221.18954	4.1
225.16368	3.2
227.17880	4.6
229.15910	1.0
229.19518	5.7
231.17410	2.5
231.21147	1.2
235.16919	6.3
235.20578	1.1
239.17981	3.3
241.19417	4.7
243.21082	3.2
245.22604	1.1
247.16919	7.4
249.18524	9.6
253.19614	1.6
255.21083	3.5
259.16916	1.5
259.20651	1.0
261.18445	4.6
267.21045	2.3
269.22690	1.0
275.20114	1.8
279.21140	1.0
281.22528	2.2
283.24185	3.3
285.06161	1.3
287.05545	1.6
291.19595	1.1
299.20007	1.4
303.07071	1.9
307.24356	1.1
321.08136	3.4
329.24661	1.9
335.27582	1.1
339.09161	2.7
343.26202	2.1
351.30252	5.8
351.92996	1.0
355.26468	1.9
365.19275	1.1
391.33539	20.2
397.31003	11.2
404.45862	1.1
407.33231	1.1
409.34628	55.7
410.34973	2.1
411.36105	2.4
425.34125	8.9
427.35785	4.6
435.32645	1.7
437.34122	84.2
438.34451	2.1
453.33481	4.3
455.35184	47.8
471.34338	1.8
567.36499	3.8
585.37512	1.4
595.36157	1.5
613.37097	1.3
748.48120	1.1
811.53308	1.0
820.83960	1.0
833.79816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	21.6
69.87868	9.8
70.64529	22.0
70.64918	29.9
74.03189	11.0
79.05491	77.5
81.03436	11.4
81.07062	84.1
83.08623	12.1
85.02910	14.8
91.03937	16.0
91.05478	81.7
93.07045	100.0
95.08614	64.7
97.10173	14.0
105.07007	71.8
107.08590	40.1
109.10166	22.4
117.07035	22.7
119.08580	69.1
121.04503	9.6
121.10143	26.0
129.06955	12.7
131.08530	28.3
133.10120	44.7
135.11668	23.2
143.08592	11.0
145.10126	22.5
147.11719	49.2
149.13281	12.2
157.10185	12.4
159.11699	33.5
161.13248	30.7
169.10066	13.2
169.22852	9.8
171.11635	17.9
173.13194	20.1
175.14833	10.9
183.11732	13.6
185.13304	15.3
199.14822	12.9
239.01250	10.3
241.19527	15.7
257.19147	13.5
259.20505	65.8
261.22055	18.1
333.24271	58.4
335.25769	67.2
611.46564	95.0
935.75385	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	967.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64882	2.6
70.06575	0.6
70.67329	0.3
71.04985	0.7
71.95267	0.3
72.96033	0.4
81.07033	0.6
84.96044	0.6
85.02896	1.5
91.05450	0.7
93.06995	0.4
98.97581	4.6
105.07054	0.5
105.71432	0.3
112.99127	1.1
116.98619	4.2
131.00171	3.8
134.99667	3.3
137.05986	0.9
143.00208	0.7
146.99646	0.9
147.04428	0.8
149.01218	13.5
153.00642	0.4
158.99658	2.4
161.01186	1.9
163.07462	0.4
167.02286	4.7
167.07088	0.7
168.74153	0.4
170.99649	0.7
172.02811	0.7
173.01244	0.7
177.00690	4.9
177.05513	0.8
179.60799	0.3
189.00706	0.9
191.02229	2.6
195.01819	0.7
199.02760	1.1
201.05434	0.4
203.02231	1.8
209.01292	0.5
209.03244	0.4
211.06447	0.5
217.03891	1.7
219.01878	0.4
223.10098	1.2
227.02249	0.6
231.06779	0.5
233.03304	1.0
241.11081	10.3
249.07935	0.4
259.12173	18.6
264.12762	0.7
267.09009	3.7
277.13257	0.6
281.10413	0.5
282.13818	1.2
285.10068	9.1
287.05475	9.6
288.05893	0.6
293.05444	4.0
299.05838	0.4
299.11795	1.0
303.11154	8.1
308.11636	1.0
309.09955	0.5
311.06543	3.1
323.11584	0.5
327.11029	2.0
341.12668	5.2
359.13834	3.0
382.15427	0.6
449.10709	1.4
480.13934	0.4
485.16876	0.6
487.20441	0.6
503.17975	100.0
504.18317	3.8
566.49591	0.4
587.18445	0.4
979.37256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.0
69.07068	18.0
69.20380	0.2
69.65536	0.2
69.82625	1.5
71.04977	0.3
71.08633	4.3
73.02882	0.4
73.06556	0.3
79.05484	1.9
79.49706	0.2
81.07057	3.9
83.04953	0.6
83.08614	17.8
85.06528	0.3
85.10175	2.3
91.03858	0.2
91.05453	0.9
93.07043	2.6
95.04978	0.3
95.08601	2.7
97.06523	2.2
97.10166	12.2
98.98460	8.0
105.07026	0.6
107.08582	2.3
109.10134	1.0
111.08066	1.1
111.11718	3.4
115.07566	0.3
116.99507	0.4
119.08537	0.4
121.10153	2.8
122.38334	0.3
123.11702	0.6
125.09647	0.5
125.13243	0.6
129.05391	0.2
130.49586	0.2
131.08592	0.3
133.10143	0.3
135.11676	1.8
137.13231	0.4
139.11166	0.5
149.13237	1.1
153.12750	0.4
155.01030	3.6
157.10239	0.2
163.14813	0.4
171.11649	0.3
173.02129	0.7
219.21123	0.5
222.38918	0.2
237.22107	0.9
247.05797	0.7
272.52524	0.2
311.25781	100.0
312.26147	2.4
335.26096	0.2
383.55005	0.3
447.25092	5.1
600.95514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
68.99802	0.5
69.03430	1.4
71.01343	0.3
71.04991	8.3
73.02906	0.6
75.04488	0.2
77.00314	0.2
79.05482	1.3
81.03431	0.7
81.07030	0.5
83.04984	3.3
85.02902	15.9
87.04459	0.3
91.05479	1.3
93.07044	0.5
95.04976	1.6
95.08559	0.3
96.38583	0.2
97.02885	1.5
97.06537	0.3
98.20801	0.6
99.04461	1.4
105.03357	0.5
105.07007	1.1
107.04948	3.1
107.08564	0.5
109.02884	1.2
109.06541	0.2
109.10148	3.4
111.00787	0.6
111.04449	3.3
113.63363	0.2
117.05497	0.4
117.07015	0.2
117.28033	0.3
119.08564	1.1
121.02856	2.7
121.06465	0.3
125.05982	0.3
127.03939	1.1
128.06206	0.6
129.05479	2.8
129.07008	0.5
133.02869	0.5
133.10156	1.3
135.04390	0.3
137.02325	0.8
137.06003	0.4
137.09602	5.9
137.10591	0.4
143.07033	0.4
143.08549	1.6
145.02818	0.3
145.04929	0.5
145.06506	0.4
145.10083	0.4
146.07239	0.3
147.04381	0.8
147.06505	0.7
147.08041	2.1
149.06035	0.3
151.03963	0.2
153.01826	3.0
153.05482	0.7
157.06389	0.3
161.09619	9.8
163.06035	0.3
163.11227	0.3
165.01797	1.5
165.09116	9.0
165.10506	0.5
171.06592	0.3
177.05510	0.7
179.10657	1.1
180.05109	0.2
183.02879	0.7
185.05957	0.4
189.09059	1.3
197.11728	0.3
203.03574	0.2
207.08208	0.5
207.10156	7.1
213.05507	1.1
225.11220	4.1
229.47516	0.2
231.06514	0.6
237.53082	0.2
239.09166	0.7
240.37555	0.2
241.04936	0.6
243.12248	0.3
257.10266	0.4
258.05283	1.0
259.05942	0.4
269.04373	0.3
287.05484	100.0
288.05875	2.1
299.05466	2.1
303.04919	0.3
311.05426	0.3
317.06570	0.4
323.05292	0.3
329.06567	0.8
334.29581	0.2
353.06564	0.6
359.23273	0.3
365.06549	0.5
369.15649	0.3
371.16916	0.5
383.07544	0.3
387.16428	2.4
395.07657	0.6
413.08453	0.8
431.09665	0.4
433.11398	0.5
449.10757	0.7
511.12027	0.4
520.54333	0.2
673.21240	1.9
742.24200	0.3
911.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.0
68.99786	0.6
69.03426	1.3
71.01330	0.4
71.04991	8.8
73.02910	0.5
75.04444	0.3
78.75951	0.2
79.05479	1.2
81.03386	0.9
81.07060	0.4
83.04552	0.3
83.04980	3.6
85.02900	15.5
91.05446	1.1
92.81643	0.2
93.07052	0.4
94.69650	0.2
95.04968	1.7
95.08588	0.5
97.02874	1.5
97.06507	0.6
99.04458	1.1
105.07024	1.1
107.04945	2.0
107.08572	0.5
109.02885	1.2
109.06507	0.7
109.10150	3.6
111.00794	0.8
111.04428	3.4
112.17171	0.2
113.05985	0.5
117.06944	0.2
119.08597	1.1
121.02872	2.7
121.06490	0.4
127.03918	1.2
128.06195	0.6
129.05472	3.1
129.06995	0.7
133.02815	0.3
133.10120	1.0
135.11560	0.2
137.02310	0.6
137.05954	0.6
137.09607	5.6
143.08548	1.6
145.02782	0.3
145.04921	0.6
145.06499	0.3
145.10135	0.5
147.04433	0.7
147.06514	0.9
147.08038	2.3
153.01817	2.9
153.05513	0.7
157.04971	0.2
157.06477	0.5
159.08022	0.3
161.09610	9.5
163.06030	0.5
163.11160	0.3
165.01796	1.7
165.09105	9.4
167.07011	0.2
171.04297	0.2
171.07959	0.3
177.05423	0.8
179.10672	1.4
183.02875	0.9
185.05977	0.7
185.62787	0.2
189.05496	0.3
189.09123	1.1
197.11624	0.3
201.05579	0.2
201.07552	0.3
207.10162	7.6
213.05490	1.2
213.07294	0.2
225.11217	3.5
231.06442	0.5
239.09090	0.9
241.04944	0.9
257.10153	0.3
258.05283	1.1
259.06079	0.6
269.04303	0.3
275.11072	0.3
287.05484	100.0
288.05786	2.0
293.12457	0.3
299.05557	1.7
303.05090	0.3
311.05557	0.4
329.06412	0.8
353.06485	0.5
359.23370	0.6
365.06610	0.6
371.16998	0.5
387.16486	2.3
395.07520	0.8
413.08661	0.5
415.10373	0.3
431.09821	0.4
433.11246	0.8
449.10718	0.4
511.12549	0.5
533.22229	0.3
673.20996	1.9
692.80475	0.3
839.22681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.1
69.03429	0.6
70.36935	0.3
70.37331	0.2
71.04988	7.0
73.02901	0.2
75.04465	0.2
78.04689	0.2
81.03407	0.9
83.04970	0.6
85.02897	14.8
87.04463	0.2
87.79614	0.1
89.03903	2.6
91.05463	0.2
92.02624	0.4
93.03391	0.5
95.04955	0.1
97.02882	2.3
98.20776	0.1
99.04451	0.2
99.30299	0.1
103.05465	0.1
106.81015	0.1
109.02866	0.9
111.00813	0.1
111.04440	0.3
117.03368	7.8
119.04929	0.2
121.02854	0.6
124.05247	0.1
126.03145	0.2
127.03909	1.2
129.05469	1.6
131.04982	0.1
134.03630	0.7
134.96292	0.1
135.04376	0.7
137.02341	0.3
137.05954	0.2
139.03902	0.6
145.02832	21.4
145.04921	0.9
146.03212	0.2
147.04404	0.2
147.06512	0.4
149.05963	2.6
149.07123	0.2
150.03188	0.1
151.03882	0.7
151.46423	0.1
153.01810	4.4
158.06050	0.1
162.03105	0.1
163.03905	0.5
165.01843	0.4
173.12802	0.1
175.03880	0.3
177.05452	37.8
178.05774	0.2
179.07040	0.1
183.02895	0.2
186.05511	0.6
195.06512	2.0
200.04535	0.1
201.05490	0.4
203.03349	0.2
207.06424	0.5
215.06917	0.1
217.04991	0.3
218.05753	0.3
228.04189	0.7
229.04956	2.1
231.02673	0.2
233.04440	0.1
242.69090	0.1
243.06491	0.2
245.04390	0.6
246.05222	1.2
247.02336	0.1
256.03674	0.1
257.04425	2.1
260.03177	0.2
261.07556	0.3
271.05911	0.2
273.03934	1.0
274.04700	3.8
284.03101	0.4
285.03894	3.7
286.04568	0.2
287.02222	0.2
287.05460	1.3
288.06259	0.2
301.03357	0.1
302.04187	12.6
303.04718	0.3
305.10120	0.1
317.06522	100.0
318.06790	1.6
321.09570	0.4
323.11115	0.2
329.06601	0.3
339.10706	2.5
359.07614	0.4
383.07562	0.1
395.07718	0.1
425.08713	0.1
427.10233	0.1
443.09595	0.2
449.10410	0.2
452.39117	0.1
463.12723	0.2
479.11807	18.8
480.11938	0.3
485.16730	0.4
643.02771	0.1
655.16223	0.4
669.61932	0.1
738.75824	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	958.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	9.2
69.03421	6.8
69.07066	9.8
70.06615	0.8
70.38598	3.4
71.01350	3.1
71.04990	48.2
73.02915	11.9
75.04474	4.9
79.05495	5.8
81.03412	3.3
81.07052	26.4
83.04977	18.5
83.08619	5.3
85.02900	100.0
86.03216	1.2
87.04455	3.0
90.00631	0.7
91.03948	9.2
91.05463	5.8
93.07041	14.3
95.01328	13.4
95.04960	2.1
95.08600	44.8
96.08930	0.9
97.02289	1.2
97.02883	18.8
97.06504	1.0
97.10165	4.1
99.00752	0.8
99.04446	2.7
99.26377	0.8
101.06017	1.1
103.03941	4.7
105.07011	12.3
107.04951	1.3
107.08588	26.6
109.02854	2.5
109.06544	1.0
109.10146	29.5
111.04443	18.9
111.11708	1.1
113.02364	2.6
115.03920	5.4
117.07001	1.7
119.08571	25.4
119.45082	0.7
120.08848	0.7
121.06435	1.0
121.10130	25.5
122.10455	1.4
123.08098	1.2
123.11695	15.0
127.03894	11.0
129.05473	36.4
129.06921	1.4
131.08585	6.4
133.04961	2.6
133.10126	20.3
135.11681	20.6
136.06168	1.9
137.02422	0.8
137.05972	1.1
137.13251	8.8
139.07535	1.2
141.01820	41.5
143.08549	1.7
145.04958	13.0
145.10100	13.0
146.08128	0.9
147.06516	26.0
147.07707	1.6
147.11676	13.9
149.13251	21.7
151.14771	1.4
153.09134	2.2
155.08463	0.9
157.04918	1.4
157.10114	2.3
159.02888	13.4
159.11693	8.6
160.12283	0.9
161.13254	11.1
163.06018	23.6
163.14807	8.2
164.09137	1.3
165.07585	2.2
167.03311	0.7
171.11696	2.2
173.13208	6.9
175.14848	12.8
177.03914	2.6
177.12762	1.4
177.16370	10.0
179.10652	1.9
179.17928	1.3
185.13220	2.2
187.14799	10.7
189.07547	0.8
189.16370	30.5
190.16660	1.0
191.10530	0.9
191.17946	39.0
192.18286	1.6
199.14726	3.9
201.16377	36.2
202.16832	0.9
202.96970	0.8
203.17949	37.9
204.18277	1.6
205.15919	5.3
205.17613	1.6
205.19524	25.1
207.17429	1.3
213.16324	3.8
215.17929	14.6
217.07062	1.1
217.15918	2.5
217.19502	6.5
219.17430	1.8
219.21019	0.9
221.15353	2.6
221.19034	1.2
223.16942	1.1
225.16402	1.1
227.17972	3.3
229.16008	1.0
229.19547	3.3
231.21066	2.0
233.15169	1.1
235.16920	4.9
237.07700	1.0
241.19537	2.4
243.21101	4.3
245.22578	3.1
247.16954	15.4
249.18544	8.3
255.08589	5.5
255.21141	1.8
257.22778	0.8
259.16937	1.1
261.18512	5.9
269.06506	3.3
269.22659	2.0
273.06940	1.1
273.09674	5.8
275.20050	1.0
285.06146	1.0
287.07587	5.6
287.20044	1.2
289.21613	2.4
291.10690	1.4
291.72827	1.0
303.06961	0.8
305.08685	9.7
309.11633	6.9
315.23151	1.7
321.08191	3.8
323.09772	3.0
339.09265	3.2
381.31625	2.1
385.14230	0.8
389.31860	1.5
393.35187	11.7
407.33008	12.1
408.33740	1.0
409.34189	1.4
411.36307	1.4
421.34750	1.4
425.34079	12.3
426.34842	1.0
435.32629	8.7
437.34177	1.5
438.34628	1.3
439.35684	69.9
440.35931	2.8
453.33643	22.9
454.34045	1.2
455.35110	2.3
456.35333	3.8
458.85550	0.8
471.34647	2.7
473.35626	0.9
474.36725	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	957.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02129	2.6
74.16158	0.5
79.56831	0.6
87.12752	0.4
95.98430	0.5
115.23859	0.5
200.61955	0.5
206.69585	0.6
387.56216	0.5
493.13110	8.3
615.14832	0.5
724.96265	0.5
795.17615	7.2
837.26099	0.5
957.22662	100.0
958.22992	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	958.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	8.1
69.03432	3.2
69.07063	11.5
69.07413	1.0
71.01353	1.9
71.04992	53.3
73.02910	6.4
75.04475	5.6
79.05489	6.0
79.83183	0.6
81.03414	1.5
81.07054	24.8
83.04485	1.2
83.04981	23.9
83.08608	6.6
85.02902	100.0
86.06094	0.8
87.04469	2.0
91.03945	8.9
91.05476	5.4
93.07040	18.4
95.01324	8.1
95.04950	1.7
95.08603	46.9
96.08952	0.6
97.02889	10.4
97.10142	4.4
99.00841	0.8
99.04463	2.7
101.06016	0.9
103.03955	2.6
105.07030	12.0
107.08592	28.1
109.02880	1.4
109.10154	29.7
111.04440	20.2
111.11770	1.1
113.02374	2.0
115.03948	0.8
117.06917	0.6
119.08573	21.4
121.10137	28.3
123.04411	0.8
123.11703	16.0
125.02336	0.6
127.03914	7.9
129.05478	35.3
131.03406	1.1
131.08575	4.7
133.10132	17.9
135.11688	22.4
137.13249	11.7
139.03944	0.9
141.01822	29.3
143.08580	0.9
145.04951	8.5
145.10112	9.0
146.08145	1.3
147.06512	24.6
147.11679	13.2
149.13251	24.2
151.07608	0.6
151.14792	1.2
152.63554	0.6
153.09109	2.5
157.04991	0.6
157.10139	1.3
159.02898	10.6
159.11646	3.9
161.13237	9.2
163.06017	21.1
163.07271	0.8
163.14810	6.5
164.09215	2.1
165.01797	0.7
165.07611	1.8
167.10638	1.0
169.05002	0.6
171.06503	1.4
171.11664	1.5
173.09685	0.7
173.13255	5.2
175.14825	9.1
177.03964	2.0
177.16368	5.2
179.10684	1.8
179.17973	2.0
187.14857	4.1
189.16368	28.6
191.17940	37.9
199.14847	1.5
201.16376	38.0
202.16792	1.1
203.17949	36.5
205.19518	26.0
207.13831	0.7
207.17557	1.3
213.16434	2.3
215.17946	17.1
215.19881	1.0
217.19484	6.6
219.00360	0.7
219.17450	1.0
221.15437	0.9
221.19099	1.1
227.17992	1.1
229.19582	2.0
231.08635	1.3
231.21118	2.1
233.15283	0.7
235.16920	5.1
241.19563	2.3
242.20364	0.7
243.21045	4.5
245.22685	3.3
247.16931	16.2
249.18472	5.0
255.08792	3.4
255.21170	2.5
257.22705	1.8
259.16916	0.9
261.18512	6.7
269.06622	2.1
269.22873	0.7
273.09665	3.6
287.07639	5.9
289.21661	2.4
291.10696	0.7
301.21652	1.0
305.08725	8.2
309.11835	5.4
315.23203	1.6
321.08237	1.7
323.09775	1.8
339.09274	2.3
343.26456	0.7
393.35205	10.6
411.36603	0.7
421.34583	0.9
439.35724	63.9
440.36154	2.2
460.25534	0.6
549.39752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79256	0.4
69.03429	0.8
69.61253	3.6
70.06588	98.5
71.06924	0.6
72.08145	3.0
73.19324	0.4
74.22058	0.4
74.61446	0.5
79.05486	0.9
81.03441	0.7
81.07056	0.6
83.06117	0.6
84.04494	8.9
85.02906	0.9
86.09703	14.7
91.05479	0.8
97.02866	0.6
98.06053	8.9
101.07143	4.0
105.07023	0.5
118.06870	79.7
119.07168	0.4
120.83563	0.5
126.05508	7.8
127.08723	0.7
129.06555	2.3
130.06523	4.3
132.04813	0.6
132.08070	1.3
137.05968	1.4
138.09129	1.0
140.19177	0.5
143.46017	0.5
144.08104	0.8
144.34383	0.5
145.04892	0.6
147.04442	0.9
155.11739	1.0
157.06113	1.9
159.09178	7.7
163.08986	10.7
167.07059	1.5
167.11758	2.5
169.07626	0.7
170.06056	2.8
174.05843	0.8
177.05447	0.8
178.05013	0.6
181.09718	0.8
182.12938	1.1
183.11334	2.2
183.14911	21.2
187.08636	0.7
191.91032	0.5
195.11313	4.3
198.83978	0.5
200.13942	2.2
203.13878	5.8
210.12410	0.7
211.12454	0.7
211.14394	10.8
216.27452	0.6
222.26933	0.6
223.12280	3.7
225.13947	0.8
228.13339	0.9
239.11841	2.0
242.16324	0.6
243.08014	1.6
246.12689	8.5
256.14523	1.3
274.12186	20.5
280.20450	0.5
284.13895	1.8
287.05484	1.0
300.19168	9.7
300.22238	0.3
308.19662	2.5
371.17151	0.7
373.19012	21.4
397.24432	100.0
398.24673	2.0
410.20291	0.8
424.19531	0.7
494.27881	0.8
515.27606	3.3
527.25836	0.6
531.27441	6.7
539.25763	1.0
559.26855	12.1
566.29761	1.2
583.32190	5.9
656.32190	5.7
866.45276	1.9
896.54694	0.7
924.44843	0.6
955.50055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	55.8
69.03418	2.1
69.06727	1.2
69.07067	13.4
69.90002	3.1
69.90415	1.6
71.04986	1.5
73.02899	3.5
74.75083	0.7
76.29932	0.7
79.05488	37.6
81.03423	1.4
81.07049	52.7
83.04982	1.2
83.08620	5.8
85.02898	15.7
85.06541	1.8
91.03952	9.9
91.05475	25.1
93.07037	40.3
95.04957	5.0
95.08601	42.4
96.04494	0.8
97.02885	9.1
97.06498	2.6
97.10141	2.4
99.08085	1.0
103.05482	0.8
105.07019	16.9
107.08577	21.1
109.02994	0.7
109.06533	1.8
109.10151	19.1
111.08073	0.9
111.11721	1.0
117.07002	7.2
119.07800	1.4
119.08577	16.6
121.06558	0.8
121.09312	1.5
121.10131	18.3
123.08038	2.1
123.11711	7.3
125.09586	1.5
127.03903	4.9
129.07005	2.1
131.08571	12.2
133.10136	11.6
135.11674	13.4
137.09483	0.9
137.13239	3.1
143.08559	2.9
145.04973	5.4
145.10132	9.4
147.11691	9.1
149.13255	9.7
151.14754	0.9
157.10088	2.0
159.11693	7.6
159.57681	0.8
161.13252	7.5
163.06030	6.4
163.14804	4.3
164.61760	0.8
165.05667	0.8
171.11664	1.8
173.13304	6.5
175.14780	3.4
177.16287	1.4
185.13225	2.9
187.14754	3.6
189.16220	1.4
199.14827	2.1
201.16389	2.1
231.21083	1.1
239.18065	0.8
241.19583	4.9
243.21111	5.8
245.22621	1.0
259.20572	9.6
261.22131	21.4
263.23712	1.6
275.07703	0.7
299.23959	1.0
313.22092	0.8
315.23059	0.9
317.24646	3.7
333.24194	7.7
335.25775	100.0
336.26132	2.1
337.27359	14.1
363.28842	1.2
517.66077	0.8
521.43420	2.5
542.34296	0.8
595.47083	15.5
613.48199	16.2
686.93231	0.8
801.83020	0.9
825.52960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.9
69.03423	1.6
69.07018	0.6
69.70174	0.2
71.01302	0.3
71.04949	0.3
79.05425	1.0
81.03371	0.4
81.07059	1.8
83.08597	0.4
84.25201	0.2
85.02893	1.9
87.86661	0.2
91.03881	0.7
91.05466	2.3
92.04995	4.5
93.05717	0.9
93.06969	0.8
94.06521	0.5
95.04913	0.5
95.08610	1.2
97.02872	2.0
97.10126	0.3
99.04403	0.3
101.02326	0.5
105.06957	0.6
106.06536	1.7
107.08566	0.4
109.02811	0.3
109.10107	0.5
117.05762	1.4
118.06532	15.3
119.07375	1.5
119.08064	0.3
119.08537	0.4
120.08144	1.3
121.10105	0.4
129.07001	0.3
130.06508	1.3
131.07225	0.6
131.08495	0.3
132.08092	2.5
133.08800	0.3
133.10062	0.3
134.09581	0.6
144.08017	0.6
146.09616	0.6
150.09074	0.4
150.13994	0.3
158.09660	0.4
160.11218	0.7
162.09126	17.0
163.09912	4.2
164.10620	0.9
176.10680	2.0
177.89807	0.2
190.12181	0.4
199.37247	0.3
202.15895	4.0
218.15353	0.3
230.15382	31.1
231.15749	0.9
246.18494	0.3
248.16417	1.7
254.17889	0.3
262.18008	1.6
274.18005	1.4
292.19040	87.9
293.19437	2.6
304.19000	1.9
322.20062	0.9
332.22186	2.2
348.21722	2.3
510.26984	2.7
544.89142	0.3
582.41022	0.3
626.43994	2.7
672.32214	3.4
788.49231	5.6
789.49457	0.6
860.82495	0.3
950.54596	100.0
951.54712	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	949.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	72.9
69.03430	21.1
69.07075	21.1
69.37765	12.3
69.38189	21.5
70.49255	3.1
71.04989	7.3
73.02899	13.7
75.88147	3.0
75.92278	3.0
79.05492	52.5
81.03423	28.3
81.07058	63.8
82.07384	3.7
83.04974	13.0
83.08617	12.3
83.09630	3.6
85.02907	29.6
91.03939	13.9
91.05470	46.2
93.07046	61.1
95.04958	16.6
95.08612	43.9
95.47371	3.2
97.02895	29.2
97.06514	10.8
97.10155	14.2
99.04448	6.9
105.07034	52.8
107.04952	11.8
107.08588	41.8
109.02872	5.4
109.06528	6.2
109.10161	31.7
111.08050	6.3
115.03994	4.9
115.05410	6.5
117.06995	23.2
119.08572	38.4
121.06548	4.2
121.10137	22.3
123.04301	4.1
123.08045	5.5
123.11678	7.7
125.09646	8.7
127.03889	10.2
128.06177	7.6
129.07010	17.5
131.08566	32.7
133.10127	26.9
135.11694	9.3
141.06961	7.2
143.08553	23.8
145.04918	4.9
145.10104	26.8
147.08070	8.3
147.11690	24.0
149.09625	11.8
149.13251	4.1
155.08551	14.6
157.10106	18.7
159.08047	4.5
159.11691	21.6
161.09566	4.7
161.13249	9.7
163.11169	7.1
165.12766	3.6
167.08533	6.0
169.10118	11.1
171.11684	15.7
173.04451	7.2
173.13249	13.6
175.11156	5.2
175.14871	3.9
181.10150	10.6
183.11658	17.3
185.13280	11.4
189.11261	6.3
193.10091	7.2
195.11694	5.8
197.13234	8.1
199.14809	11.0
209.13182	7.9
211.14836	5.3
221.13248	4.7
223.14764	5.8
227.12671	7.6
241.19582	5.6
257.19077	5.6
259.20459	7.1
269.17514	5.1
273.18365	16.9
275.20038	13.4
333.24258	5.6
335.25821	13.7
347.22174	6.1
349.24063	7.2
511.34897	4.2
513.35712	18.5
515.38348	5.6
527.37292	10.6
533.39801	8.3
607.34216	5.0
607.43530	51.8
625.44623	100.0
626.44550	6.6
649.44379	5.3
689.42365	5.0
691.44336	4.2
733.46094	4.8
769.48480	8.7
787.49261	12.6
949.52704	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	949.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31068	1.4
67.05502	64.2
69.03428	10.2
69.07063	19.3
69.57565	2.2
69.57968	9.5
70.67314	1.4
71.04983	3.5
73.02905	6.5
77.03899	2.2
77.44852	1.4
79.05488	54.1
81.03417	3.7
81.07049	69.9
82.07389	1.4
83.04983	5.4
83.08624	14.4
85.02901	18.5
85.06529	2.1
91.03954	8.3
91.05473	77.8
93.07037	59.1
93.07632	2.9
95.04953	14.4
95.08600	51.1
97.02865	11.7
97.06524	9.4
97.10169	5.8
103.05479	2.6
105.04508	1.9
105.07023	56.8
107.04935	4.7
107.08578	29.3
109.02900	1.8
109.06510	16.4
109.10145	12.9
111.08063	5.6
111.61929	1.3
115.05423	8.3
116.06241	3.0
116.97545	1.4
117.07008	42.9
119.04913	2.4
119.08572	36.8
121.06491	11.3
121.10119	18.9
123.08043	12.4
123.11738	4.3
125.06028	2.7
125.09636	3.4
127.03903	4.3
128.06212	21.0
128.07016	2.2
129.06996	25.4
130.07750	10.2
131.08556	71.3
132.05681	1.9
133.06480	14.7
133.10115	24.7
135.08055	8.3
135.11693	11.9
136.06256	1.6
137.09590	3.1
139.11177	1.4
141.07001	8.3
142.07788	6.9
143.08551	74.2
145.05014	1.9
145.06497	4.0
145.10114	76.0
147.08029	21.1
147.11723	9.3
149.09619	5.7
149.13257	5.6
151.07509	4.0
151.11154	3.4
154.07809	2.0
155.08536	10.2
157.10114	20.5
159.08055	5.7
159.11682	29.9
161.09599	19.3
161.13263	4.9
163.11189	6.3
163.14723	1.6
165.07027	3.0
165.12679	1.8
166.07809	2.7
167.08594	5.7
169.10139	15.7
171.08115	2.4
171.11665	16.8
173.09619	4.8
173.13278	5.2
175.11194	8.8
177.12749	15.2
180.09271	2.0
181.10120	13.3
182.10930	1.6
183.11670	9.6
185.09631	3.4
185.13213	8.1
187.11177	4.9
189.12782	2.6
195.11661	19.6
197.13235	2.7
199.11134	3.2
199.14825	2.3
201.12698	3.1
209.13222	2.0
211.14816	2.1
213.12743	4.4
227.17981	6.9
235.14902	1.6
237.16367	18.7
241.14461	1.8
243.21045	1.9
245.19009	3.1
255.17406	30.6
257.18839	1.6
259.20404	1.8
261.22183	4.9
273.18457	100.0
274.18713	1.9
291.19562	3.8
329.21158	7.8
331.18637	1.6
333.24521	1.9
335.25781	92.0
347.22153	57.0
417.22449	2.5
435.23941	2.2
485.34537	1.7
544.04407	1.9
589.42670	1.9
607.43506	95.1
608.43597	4.7
625.44611	9.9
769.48108	1.6
787.52832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	44.7
69.03422	7.3
69.07069	12.7
71.04967	2.3
71.58891	1.0
73.02901	4.2
75.04470	0.9
77.02744	0.9
79.05488	43.3
81.03405	3.9
81.07050	56.9
83.04967	3.4
83.08610	7.4
85.02891	16.9
85.06529	2.6
91.03960	7.9
91.05474	45.9
93.07034	41.9
93.07632	1.5
94.07324	1.1
95.04979	9.9
95.08595	36.8
97.02882	10.7
97.06516	6.5
97.10141	3.9
99.08096	1.4
103.05470	3.0
105.07025	34.3
107.04964	5.6
107.08587	22.7
109.06501	13.5
109.10143	11.7
110.78130	1.0
111.08076	3.1
113.34731	1.2
115.05417	4.4
116.06245	1.6
117.06220	1.9
117.07014	28.0
119.04948	1.5
119.08566	24.1
121.06490	6.8
121.10131	16.0
123.08040	4.8
123.11698	3.3
125.05984	1.2
125.09608	2.8
127.03882	4.8
128.06200	8.2
129.06999	16.1
130.07773	3.9
131.08559	35.0
133.06485	11.9
133.10124	17.2
135.08025	7.6
135.11682	9.7
136.06194	1.2
137.09601	2.2
141.06998	4.8
142.07768	4.9
143.08553	30.1
144.09299	1.5
145.04880	2.3
145.06477	2.2
145.10110	39.0
146.07217	1.2
147.08032	10.0
147.11682	8.8
147.27078	1.0
149.09598	4.0
149.13260	4.0
151.11171	2.0
153.06949	1.0
155.08540	5.9
156.09303	1.1
157.06448	1.2
157.10110	17.5
158.10750	1.2
159.08028	4.0
159.10429	1.9
159.11676	23.0
161.09608	12.4
161.13176	4.6
163.05989	1.2
163.11163	6.8
165.07010	1.4
165.12691	1.4
166.07663	1.6
167.08574	3.3
169.10104	7.9
171.08020	2.0
171.11691	11.9
173.09625	6.3
173.13251	4.2
175.11147	8.5
175.14822	1.1
177.12741	7.5
181.10127	6.1
183.11668	4.7
185.09586	2.7
185.13226	5.9
187.11115	2.5
187.14812	2.6
189.12708	2.5
191.10620	1.2
193.10104	1.0
195.11618	8.9
197.13217	1.6
199.11136	2.3
199.14723	2.4
201.12646	1.3
203.10834	1.7
203.14523	1.2
205.12265	1.7
209.13255	2.6
211.14754	2.3
213.12828	1.9
213.16408	1.5
215.14316	2.3
227.14462	1.2
227.17987	5.9
237.16356	9.7
241.89465	1.0
243.21123	1.3
245.19017	8.9
255.17395	18.5
257.18912	1.4
261.22159	3.7
271.17020	1.7
273.18478	77.7
274.18869	1.6
291.19510	3.8
317.24603	1.4
329.21112	4.3
335.25775	100.0
336.26114	3.6
347.22134	36.2
348.22412	1.6
365.23050	1.5
408.96881	1.1
417.22684	2.3
435.23697	2.6
462.62671	1.0
509.27173	1.3
602.99420	1.1
607.43512	62.8
608.43579	3.5
625.44476	17.1
752.32147	1.1
769.48230	2.5
787.49835	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	949.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.4
68.68159	0.7
69.07059	2.6
71.04983	1.6
79.05492	2.5
81.03497	0.6
81.07046	8.2
85.02909	3.0
91.05476	1.8
93.07047	2.4
95.08598	10.0
95.09159	0.8
105.07051	2.3
107.08586	4.0
109.10133	3.7
116.89465	0.6
119.01038	5.6
119.08595	2.3
121.10133	3.8
123.11727	1.6
131.08571	1.7
133.10132	2.1
135.11700	1.4
137.02113	1.5
137.13217	3.0
145.10114	1.4
147.11702	1.6
149.13277	2.4
159.11693	1.0
161.13263	1.8
169.04768	2.1
173.13353	1.1
175.14955	0.8
177.16339	1.0
185.04207	6.9
185.05577	0.7
189.16429	0.6
199.02115	0.8
203.05424	0.6
217.03143	2.9
229.19566	1.3
241.02156	0.7
245.06320	2.7
269.06415	1.3
273.05984	0.8
281.06427	1.7
299.07275	3.8
331.09952	15.3
349.11237	2.0
361.07584	1.3
379.08398	8.0
391.12091	8.2
391.16800	0.9
415.12100	7.8
416.96835	0.6
427.12186	2.6
445.13165	6.7
463.14267	1.2
489.12238	1.6
507.13174	26.3
508.13321	0.7
525.14227	6.2
803.45386	0.8
815.49170	1.4
949.51221	100.0
950.50409	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	949.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99772	0.3
69.03436	0.8
69.42490	1.2
71.01331	0.2
71.04990	9.9
73.02898	0.9
75.04474	0.8
79.34005	0.1
81.03400	0.2
83.04980	1.9
84.94700	0.1
85.02901	14.2
87.04421	0.4
91.03933	0.3
93.03396	0.2
95.04915	0.3
97.02865	0.7
97.33428	0.1
99.04430	0.4
109.02879	0.7
110.84807	0.1
111.00819	0.7
111.04435	1.4
115.25629	0.1
117.05474	0.3
121.02840	0.1
121.06417	0.2
123.04385	0.4
125.05981	0.2
127.03873	0.6
129.05469	3.9
130.70306	0.1
131.42934	0.1
137.02325	0.6
137.05933	0.2
139.03897	1.8
145.04904	0.2
147.06482	1.3
151.03859	0.2
153.01816	3.9
153.05409	0.6
163.03870	0.1
163.05980	0.4
165.01820	1.4
166.02547	0.4
167.03372	1.4
167.07037	0.1
169.03438	0.2
171.06541	0.3
177.05412	0.2
179.03333	0.6
183.02853	0.4
189.05458	0.2
193.04985	0.7
199.03961	0.2
201.07547	0.2
202.66414	0.1
206.05696	0.2
207.02924	0.3
208.03665	0.2
213.05508	0.2
216.04155	0.3
217.04971	1.3
219.02858	1.3
229.04829	0.2
233.04472	0.5
234.05217	0.4
239.09138	0.6
241.04817	0.3
244.03659	0.7
245.04449	2.6
247.02422	0.2
255.02924	0.4
259.06082	0.8
261.03870	0.3
262.04764	0.2
272.03165	0.3
273.03934	2.8
275.11200	0.4
277.07053	0.9
287.05438	1.5
289.03360	1.5
290.04102	1.3
293.12445	0.1
300.02560	0.4
301.03415	3.9
302.04044	0.2
303.05005	0.6
304.05777	0.6
315.05081	0.3
317.06564	0.2
318.03687	8.7
319.04047	0.3
323.15869	0.1
330.03787	0.2
331.04364	0.3
332.05103	0.2
333.06018	100.0
334.06372	3.0
345.06033	1.0
357.06168	0.4
375.07123	2.1
387.06958	0.2
399.07071	0.7
425.08939	0.3
443.09805	0.7
461.10944	0.6
465.09949	0.2
477.10373	0.3
479.11899	1.1
495.11313	27.0
496.11765	1.1
564.42389	0.2
585.22626	0.2
641.17432	0.2
657.16895	0.2
711.99756	0.1
783.06146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.9
71.01336	0.2
71.04986	11.5
71.08498	0.2
71.08852	0.4
73.02914	1.0
75.04433	0.6
81.03384	0.3
83.04975	2.6
85.02897	15.4
87.04423	0.4
89.73733	0.2
91.03912	0.6
93.36692	0.2
95.04940	0.3
97.02818	0.8
99.04415	0.5
101.05991	0.2
108.02060	0.3
109.02853	0.9
111.04432	1.9
117.03344	0.3
117.05457	0.3
118.37745	0.2
127.03853	0.6
129.05464	4.7
137.02298	0.5
145.02788	0.4
145.04907	0.5
147.06479	1.3
153.00699	0.3
153.01817	2.9
153.05429	0.5
163.03838	0.3
163.05945	0.7
165.01779	0.2
167.03351	0.2
171.06418	0.2
171.51248	0.2
177.05470	1.0
179.03360	0.4
201.07530	0.2
205.04964	0.2
206.05663	0.6
208.03624	0.5
216.04166	0.3
217.05019	0.3
219.02867	2.7
220.03571	0.3
229.04918	0.3
232.03558	0.2
233.04352	1.3
234.05148	1.0
239.09090	0.6
244.03632	0.8
245.04498	1.2
247.02269	0.5
255.08600	0.3
257.04709	0.2
257.10190	0.3
261.03894	0.8
262.04773	0.4
272.02988	0.4
273.03903	1.1
275.11362	0.3
277.07074	0.2
285.03534	0.2
287.05450	0.8
289.03427	1.5
290.04181	2.8
300.02481	0.3
301.03412	2.3
302.04132	0.4
303.04987	2.2
315.05124	0.2
317.03201	0.3
317.06531	1.6
318.03671	32.8
319.04108	1.0
330.03540	0.5
331.04346	0.6
333.06006	100.0
334.06381	2.8
342.03745	0.3
345.06088	1.2
357.06042	0.7
375.07074	3.0
387.07727	0.2
399.06781	0.9
425.08685	0.3
443.09500	0.8
461.10800	0.7
465.10199	0.2
477.10358	0.4
479.11841	2.2
495.11298	29.6
496.11581	1.1
564.90527	0.2
641.16699	0.6
657.16412	0.3
697.29523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.6
71.01366	0.2
71.04991	8.4
71.56920	0.2
73.02890	0.6
75.04456	0.6
81.03396	0.3
83.04974	1.5
83.53926	0.1
85.02902	11.6
86.87143	0.1
87.04453	0.3
91.03918	0.5
93.03397	0.4
95.04952	0.3
97.02872	0.7
99.04440	0.3
101.02310	0.2
109.02904	0.3
111.04417	1.2
113.05924	0.2
114.75246	0.2
117.05447	0.3
121.02876	0.9
123.04377	0.2
127.03906	0.7
129.05470	3.0
133.02840	0.2
137.02379	0.2
139.03862	0.3
142.02666	0.2
145.02846	0.2
145.04930	0.4
147.06512	0.8
150.05438	0.2
151.03870	2.0
153.01804	1.0
155.03380	0.4
163.03859	0.2
163.06033	0.3
167.03484	0.2
169.01305	5.0
177.05452	0.4
178.16646	0.2
179.03459	0.2
181.01326	0.4
186.01520	0.8
217.04959	0.4
219.02870	0.2
219.15907	0.2
220.03677	0.2
229.04944	0.4
233.04478	0.4
235.58273	0.2
239.09090	0.5
244.03728	0.6
245.04402	1.6
247.02350	0.2
251.53497	0.2
255.02921	0.2
261.03879	0.4
262.04575	0.8
273.03909	2.2
274.04608	0.4
277.07156	0.3
283.02515	0.3
285.04001	0.2
287.05450	1.0
289.03464	0.9
290.04214	2.6
300.02557	0.4
300.05988	0.2
301.03433	4.3
301.06824	0.3
302.04150	0.8
303.04861	0.9
304.05649	0.2
315.05099	0.4
317.02969	0.2
317.06519	5.6
318.03699	10.9
319.03922	0.4
329.06390	0.2
332.05054	0.3
333.06021	100.0
334.06342	3.3
375.07117	0.2
399.07083	0.3
443.09668	0.4
461.10730	0.4
477.10202	0.3
479.11899	1.9
495.11313	20.3
496.11575	0.8
512.16632	0.2
637.98718	0.2
641.16559	0.5
657.17078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.2
69.03407	1.0
70.49414	0.8
71.04989	11.3
73.02914	0.6
75.04462	0.6
78.14262	0.2
79.05473	0.3
81.03395	0.5
83.04977	3.0
85.02898	13.5
87.04433	0.3
89.03908	3.4
91.05482	1.2
92.02605	0.6
93.03380	0.6
93.07037	0.2
93.28008	0.2
95.04958	0.6
97.02876	0.5
99.04418	0.8
109.02847	0.4
111.04425	2.0
113.05978	0.2
114.74500	0.2
117.03372	8.6
117.05471	0.5
119.04945	1.5
121.02860	0.9
121.06499	0.3
123.04354	0.2
127.03889	0.6
129.05469	4.1
134.03589	0.5
135.04388	1.0
137.02301	0.4
137.05995	0.5
139.03862	0.8
145.02834	25.9
146.03175	0.4
147.04407	1.9
147.06506	0.8
149.05963	3.9
151.03909	0.7
153.01811	5.1
153.05458	0.7
160.90622	0.3
163.03896	0.5
163.06032	0.5
165.01830	0.6
167.07123	0.3
171.06499	0.5
175.03886	2.5
177.05453	53.7
178.05872	0.8
179.06891	0.4
183.02847	0.4
186.05461	0.8
195.06516	2.3
201.05434	0.9
201.07497	0.3
203.03427	0.4
207.06519	5.3
215.07124	0.2
217.04877	0.4
218.05666	0.4
228.04179	0.9
229.04890	2.3
231.02913	0.3
239.09157	0.9
245.04416	0.6
246.05205	1.1
257.04422	2.3
261.07629	0.7
273.03876	1.2
274.04691	2.9
275.11469	0.3
284.02896	0.3
285.03931	3.9
286.04431	0.4
287.05478	11.3
288.06177	0.7
302.00760	0.6
302.04181	10.9
303.05069	0.3
303.08575	0.4
305.10147	0.6
317.06531	100.0
318.06934	2.6
321.09705	1.5
323.11209	1.1
329.06387	0.4
339.10706	3.7
359.07675	0.9
377.55157	0.2
427.10696	0.3
445.11398	0.3
463.12341	0.6
637.15247	0.8
788.51471	0.3
816.67456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.3
67.83172	0.3
68.99778	0.7
69.03409	1.1
69.87760	0.4
69.88173	1.2
71.01328	0.4
71.04990	10.1
73.02888	0.7
75.04460	0.5
79.05465	0.3
80.83159	0.2
81.03406	1.1
83.04978	3.5
85.02900	20.1
87.04459	0.6
91.05478	4.9
95.04964	0.7
97.02881	1.9
99.04424	0.9
103.05436	0.4
105.03365	0.4
109.02866	1.7
109.08263	0.2
111.00768	0.7
111.04454	2.3
113.05987	0.3
117.05451	0.3
119.04102	0.5
119.04939	9.2
121.02857	2.6
123.04475	0.3
124.12473	0.2
127.03934	2.0
129.05475	3.5
133.02834	0.7
135.04355	0.4
137.02307	0.7
137.05951	0.4
145.02843	0.3
145.04944	0.8
147.04402	8.4
147.06500	1.0
148.92680	0.3
149.02373	0.3
153.01831	3.3
153.05432	0.5
157.03886	0.4
161.05963	0.4
163.03964	0.3
164.04675	0.4
165.01857	1.6
167.07068	0.6
171.06458	0.4
175.03897	15.3
176.04315	0.4
177.05463	0.4
179.07045	0.8
181.74480	0.3
183.02904	0.8
185.05931	0.4
189.05498	0.5
191.06987	0.3
192.04076	0.6
201.07599	0.3
207.06516	34.7
208.06860	0.4
209.08034	0.3
213.05440	1.3
219.06487	0.3
225.07501	1.8
231.06505	0.5
239.09163	0.6
241.04900	0.8
257.10297	0.2
258.05225	0.6
259.05972	0.3
275.11496	0.3
287.05481	100.0
288.05753	1.7
299.05511	0.8
317.10098	0.4
329.06595	0.9
335.11230	0.7
341.46899	0.3
348.73376	0.2
353.12268	0.7
369.11826	3.0
395.07904	0.3
397.09442	0.5
442.65155	0.3
637.91260	0.3
655.16992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.2
69.03407	1.0
70.49414	0.8
71.04989	11.3
73.02914	0.6
75.04462	0.6
78.14262	0.2
79.05473	0.3
81.03395	0.5
83.04977	3.0
85.02898	13.5
87.04433	0.3
89.03908	3.4
91.05482	1.2
92.02605	0.6
93.03380	0.6
93.07037	0.2
93.28008	0.2
95.04958	0.6
97.02876	0.5
99.04418	0.8
109.02847	0.4
111.04425	2.0
113.05978	0.2
114.74500	0.2
117.03372	8.6
117.05471	0.5
119.04945	1.5
121.02860	0.9
121.06499	0.3
123.04354	0.2
127.03889	0.6
129.05469	4.1
134.03589	0.5
135.04388	1.0
137.02301	0.4
137.05995	0.5
139.03862	0.8
145.02834	25.9
146.03175	0.4
147.04407	1.9
147.06506	0.8
149.05963	3.9
151.03909	0.7
153.01811	5.1
153.05458	0.7
160.90622	0.3
163.03896	0.5
163.06032	0.5
165.01830	0.6
167.07123	0.3
171.06499	0.5
175.03886	2.5
177.05453	53.7
178.05872	0.8
179.06891	0.4
183.02847	0.4
186.05461	0.8
195.06516	2.3
201.05434	0.9
201.07497	0.3
203.03427	0.4
207.06519	5.3
215.07124	0.2
217.04877	0.4
218.05666	0.4
228.04179	0.9
229.04890	2.3
231.02913	0.3
239.09157	0.9
245.04416	0.6
246.05205	1.1
257.04422	2.3
261.07629	0.7
273.03876	1.2
274.04691	2.9
275.11469	0.3
284.02896	0.3
285.03931	3.9
286.04431	0.4
287.05478	11.3
288.06177	0.7
302.00760	0.6
302.04181	10.9
303.05069	0.3
303.08575	0.4
305.10147	0.6
317.06531	100.0
318.06934	2.6
321.09705	1.5
323.11209	1.1
329.06387	0.4
339.10706	3.7
359.07675	0.9
377.55157	0.2
427.10696	0.3
445.11398	0.3
463.12341	0.6
637.15247	0.8
788.51471	0.3
816.67456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.6
68.99779	0.6
69.03414	1.9
71.01345	0.5
71.04987	15.7
71.57183	0.5
73.02921	1.5
74.13435	0.3
75.04469	1.0
81.03420	1.4
83.04973	5.9
85.02898	27.4
86.03201	0.3
87.04463	0.6
89.03913	2.7
91.05476	5.3
92.02636	0.5
92.05782	0.3
93.03413	0.7
93.07031	0.3
95.04940	1.3
96.45075	0.2
97.02894	1.8
97.06527	0.4
99.04436	1.1
103.05465	0.6
105.03360	0.3
107.04955	0.6
109.02840	1.3
109.06504	0.3
111.00776	0.5
111.04435	3.4
113.05984	0.5
117.03371	8.2
117.05470	0.4
119.04931	8.2
120.08179	0.3
121.02848	1.9
121.06522	0.3
125.05998	0.4
127.03912	2.1
129.05460	6.1
131.04897	0.4
133.02788	0.5
134.03596	0.7
135.04428	1.4
137.02336	0.8
137.06033	0.5
139.03935	0.5
140.31084	0.2
145.02834	21.2
145.04893	1.1
147.04399	7.8
147.06377	1.5
149.05960	3.1
151.03891	1.1
151.89534	0.3
153.00554	0.4
153.01814	6.8
153.05449	1.2
157.03877	0.5
157.05048	0.5
157.06358	0.3
159.06554	0.3
161.05957	0.4
163.03908	0.5
163.06041	0.9
165.01813	1.4
167.07037	0.4
171.06519	0.6
173.05966	0.3
175.03897	13.2
177.05457	45.4
178.05923	0.4
179.03612	0.3
179.07037	0.8
181.06355	0.3
183.02896	0.6
183.06493	0.3
185.05937	0.4
186.05511	0.6
195.06485	1.8
201.05562	0.6
201.07516	0.6
203.03499	0.4
207.06509	28.7
208.06960	0.5
213.05489	0.9
217.05042	0.5
218.05791	0.4
219.06470	0.4
225.07568	0.9
228.04158	1.1
229.04924	2.3
231.02925	0.3
231.06519	0.6
235.06145	0.3
239.09145	1.9
241.05032	0.5
245.04466	1.0
246.05203	1.6
257.04474	2.1
257.10190	0.6
258.05258	0.7
260.03018	0.3
261.07596	0.6
263.09134	0.3
271.05869	0.4
273.03943	1.8
274.04657	3.5
275.11206	0.8
284.03180	0.3
285.03854	3.5
287.05475	71.0
288.05795	1.7
291.08447	0.4
293.12262	0.5
299.05609	0.3
302.04181	11.1
317.06534	100.0
318.06897	2.5
323.11209	0.6
329.06494	1.2
335.11115	0.5
339.10736	2.4
351.10831	1.5
353.12238	0.6
359.07455	0.8
368.82193	0.3
369.11768	2.5
383.07706	0.4
395.08237	0.4
397.09064	0.5
443.09195	0.3
463.12250	0.6
525.42908	0.3
637.15155	0.6
655.16595	1.4
705.71283	0.3
903.03101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22830	0.6
67.05500	8.1
69.03422	3.1
69.07062	9.4
69.68662	5.5
71.01345	1.0
71.04987	46.2
71.08620	1.3
73.02911	5.0
75.04456	6.3
79.05489	5.3
80.33969	0.7
81.03410	1.5
81.07050	27.5
83.04975	15.8
83.08604	7.1
85.02898	100.0
87.04453	2.3
91.03944	8.3
91.04363	0.7
91.05463	4.1
93.07037	13.4
95.01327	6.9
95.04977	1.2
95.08598	47.4
97.02883	8.8
97.06524	0.8
97.10150	4.2
99.04440	2.2
101.02361	0.9
101.06050	1.1
103.03935	2.4
105.07030	8.2
107.08585	22.0
109.02865	1.3
109.06532	1.3
109.09386	1.4
109.10146	30.0
111.04435	23.5
111.08105	0.8
111.11708	1.0
119.08572	14.0
121.10137	24.4
123.11707	15.2
125.09512	0.8
127.03903	9.1
129.05469	40.2
131.03403	1.0
131.08566	4.9
132.09236	0.8
133.10110	12.6
135.11681	17.4
137.13251	15.5
137.14233	1.1
139.11147	1.3
141.00732	1.7
141.01814	28.8
141.02892	1.6
141.83438	0.8
145.04955	9.1
145.10133	5.0
146.08067	0.8
147.06506	33.9
147.11670	7.5
149.13254	18.6
150.32193	0.7
153.05551	0.7
155.97102	0.7
159.02884	11.3
159.11670	7.0
160.12459	1.0
161.13235	10.8
163.06004	21.3
163.11208	0.8
163.14824	6.5
164.09245	1.6
165.07593	2.9
165.12721	1.2
171.06546	1.1
171.08076	0.7
171.11667	2.0
173.13268	4.0
175.14812	8.4
177.03923	2.2
177.16368	15.8
179.17973	2.2
185.13216	1.9
187.14807	4.1
189.16357	8.4
191.17935	15.6
191.19566	1.0
193.67998	0.7
195.06497	0.9
199.06119	0.9
199.14830	1.0
201.16344	6.3
203.17953	10.9
205.15938	1.4
205.19513	15.3
207.17445	2.0
213.16377	0.9
215.17970	9.6
217.19498	9.4
219.17429	3.8
219.21057	2.1
221.19003	2.5
227.17769	0.8
229.19530	9.8
231.21100	3.4
233.18997	6.8
237.07570	0.9
241.19490	1.1
243.21126	2.4
245.22719	1.3
247.20471	5.3
255.08615	5.2
255.21109	1.6
257.22684	3.3
257.81204	0.8
259.08261	0.9
259.20645	1.0
269.06555	2.5
269.22662	2.8
271.24017	0.9
273.09686	3.6
273.22086	1.6
275.23578	4.3
285.06046	0.9
287.07632	5.8
287.23749	1.8
291.10901	1.4
297.25699	1.0
305.08670	10.8
309.11804	9.0
310.71054	0.9
313.28940	1.6
321.08197	1.5
323.09650	4.1
339.09131	3.7
353.32104	2.4
407.36655	23.5
425.37738	62.5
426.38245	1.4
536.60938	0.8
567.90576	0.8
719.52759	0.8
800.81396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80962	0.3
66.89041	0.4
67.05182	0.4
67.05500	7.1
69.03420	3.4
69.07060	10.0
70.06567	0.8
70.63589	1.0
71.01335	0.9
71.08622	0.6
73.02909	9.3
79.05479	4.9
81.03403	0.5
81.07047	21.1
83.04955	0.5
83.08605	6.5
85.02893	9.1
91.05457	4.6
93.07031	13.5
95.01327	3.6
95.08595	42.5
96.08941	0.7
97.02290	0.8
97.02879	11.9
97.10156	4.5
98.21455	0.4
99.00816	0.8
103.03913	1.0
105.07015	9.3
107.08578	24.3
109.02837	0.6
109.10143	30.3
111.04383	0.6
111.11731	2.1
113.02337	0.9
115.03925	5.6
117.06989	1.0
119.08569	19.4
121.10127	27.7
123.11694	17.3
127.03876	2.7
131.03404	0.6
131.08557	2.7
133.04951	4.5
133.10117	16.9
135.11670	21.6
137.13237	10.9
139.07460	0.9
141.01807	17.1
143.08578	0.4
145.04938	2.4
145.10101	6.9
147.11670	13.1
149.13242	24.7
151.03882	0.5
151.07437	0.5
151.11250	0.4
151.14763	0.9
153.09053	2.9
157.04945	0.4
157.10104	0.6
159.02846	4.2
159.11641	4.7
161.13228	8.1
161.14438	0.7
163.05988	0.9
163.14793	7.7
165.09088	0.9
167.10652	0.7
171.11664	1.3
173.13228	4.2
175.14803	8.6
177.03960	0.8
177.09024	0.7
177.16359	7.9
179.10666	1.8
179.16565	0.4
179.17918	2.2
181.05026	0.7
185.13231	1.0
187.14749	3.9
189.16360	29.2
190.16689	1.0
191.17923	56.0
192.18222	1.6
193.12204	0.9
193.19498	0.9
199.14745	1.4
201.14914	0.6
201.16353	34.0
203.17929	43.0
204.18230	1.1
205.19492	34.3
206.19867	0.7
207.13861	0.5
207.17407	1.5
213.16339	2.4
215.17932	14.5
217.07048	1.7
217.16096	0.8
217.19476	10.8
219.02858	0.4
219.04991	1.6
219.17426	1.2
219.21049	0.6
221.15347	1.4
221.18964	0.9
223.16931	0.6
227.17943	1.5
229.19528	1.8
231.17450	0.9
231.21037	2.8
233.15266	0.6
235.16864	6.3
239.17986	0.7
241.19446	3.2
243.21048	4.5
245.22697	3.4
247.16908	23.6
248.17293	0.6
249.18460	7.4
250.18690	0.5
255.04874	1.1
255.21082	2.7
257.22617	2.0
259.08170	0.5
259.16879	1.1
261.18466	9.1
262.18808	0.6
269.22617	1.9
271.24057	0.4
273.06079	3.0
273.18570	0.8
275.20001	1.1
283.23984	0.8
287.20062	1.6
289.21628	2.7
291.07083	1.3
295.10135	0.7
301.21707	1.4
303.23221	0.5
309.08063	0.9
315.23120	2.1
321.08252	1.2
329.24655	0.6
343.26154	0.7
355.26349	1.3
369.27731	0.5
393.35110	15.1
394.35910	0.5
411.35876	2.5
421.34552	0.9
439.35666	100.0
440.35931	5.1
507.82245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05130	0.7
67.05500	16.5
69.03423	3.5
69.07064	10.6
69.83607	4.0
71.01352	3.4
71.04990	43.5
73.02913	6.8
74.09727	0.8
75.04474	6.1
75.73147	0.7
75.74807	0.6
79.05490	9.0
81.03409	1.4
81.07054	34.4
83.04480	1.1
83.04977	18.3
83.08612	6.9
85.02901	100.0
87.04482	1.3
91.03957	9.3
91.05473	8.0
93.07037	27.2
93.07626	1.4
95.01327	25.4
95.04973	1.4
95.08601	70.3
97.02879	11.2
97.06548	1.7
97.10155	4.0
98.20826	1.0
99.00810	1.8
99.04455	1.3
99.08102	1.2
101.02370	1.8
101.06024	1.6
103.03951	4.6
105.07024	24.4
107.08588	45.2
108.08904	1.0
109.02917	1.7
109.06532	1.9
109.10149	52.9
111.04433	14.8
111.08070	11.5
111.11716	2.0
113.02372	4.1
113.06017	1.0
115.03919	0.9
117.07030	2.8
119.08577	37.2
121.06503	0.8
121.10139	36.3
123.00809	1.6
123.04432	1.0
123.08073	1.7
123.11702	18.2
125.02362	0.6
125.09635	2.6
127.03908	8.2
129.05476	25.1
131.03397	2.2
131.08563	10.6
133.10127	32.0
135.11682	30.2
137.09589	1.1
137.13239	5.8
139.03891	0.7
139.11186	5.1
141.01820	68.8
142.02156	1.0
143.08554	2.7
145.04947	7.3
145.10112	17.2
146.10713	0.7
146.25729	0.7
147.06506	13.7
147.11682	25.1
149.13254	23.0
151.11211	2.6
151.14781	1.3
153.12764	1.6
157.04938	0.7
157.10109	4.5
158.10866	0.8
159.02892	13.1
159.06578	1.1
159.11681	20.1
160.12407	0.8
161.13242	27.5
163.06009	12.2
163.11198	2.5
163.14822	21.9
165.07623	1.8
165.12726	4.9
165.16501	0.8
167.14314	1.4
169.10130	0.8
171.06543	0.8
171.11623	3.7
173.13255	15.7
175.14821	21.2
177.03967	3.5
177.05374	0.7
177.12799	1.7
177.16379	20.8
179.14340	0.8
179.17873	1.9
183.11766	1.0
185.13272	3.1
186.13715	0.7
187.02432	0.8
187.14804	13.1
189.16360	20.7
191.14333	1.5
191.17929	10.0
193.15894	4.9
195.17455	7.0
197.13225	1.1
199.14850	4.8
201.16368	20.8
203.17935	37.5
205.15883	6.3
205.19412	4.2
207.17451	9.0
209.18878	0.7
211.14706	1.1
213.16339	4.1
215.17961	16.0
215.19923	1.3
217.15932	2.5
217.19493	20.2
219.17419	11.9
219.20973	0.9
220.17493	0.7
221.18994	10.6
225.16391	1.2
227.17957	6.2
229.19496	18.9
231.17450	1.7
231.21097	2.5
233.18990	8.9
235.20486	1.5
239.17960	1.0
241.19447	4.0
243.21054	6.6
245.18953	3.8
245.22688	1.3
247.20584	10.7
253.19568	1.5
255.08630	1.4
255.21077	4.7
257.22583	5.8
259.08075	0.8
259.20605	2.1
261.22153	2.9
267.21036	1.8
269.06583	1.3
269.22617	4.8
271.20844	1.0
271.24197	2.8
273.09601	0.8
273.22174	1.9
275.23688	2.7
281.22739	1.3
283.24219	2.5
285.22018	0.8
287.07718	2.2
287.23761	1.8
295.24240	1.7
297.25775	2.8
299.23672	1.1
301.25244	1.4
305.08643	6.4
309.11816	1.8
309.25848	0.8
311.27252	2.1
313.25278	2.3
315.26758	4.1
323.09567	1.8
329.28241	2.3
339.09256	1.2
351.17697	0.8
351.30054	0.9
363.17429	0.7
365.19556	1.0
365.32025	5.6
369.31604	1.3
379.21133	1.0
381.31674	0.8
383.33112	5.6
405.35144	14.7
407.36575	1.1
411.36075	2.4
423.36185	92.5
424.36508	3.7
441.37256	81.4
442.37848	3.0
581.38385	6.2
596.01581	0.6
599.30280	1.0
599.39380	16.1
600.39795	0.7
674.39551	1.0
930.26740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5092
Annotation	Pisumsaponin II
Peak:m/z	Relative Intensity
67.05494	7.7
67.77271	0.6
69.03429	3.8
69.07055	6.1
69.94173	4.2
71.01344	2.1
71.04990	32.5
73.02914	5.5
75.04464	4.6
79.05488	6.0
81.03401	1.7
81.06585	1.0
81.07058	19.2
83.04979	14.9
83.08597	3.1
85.02900	63.3
87.04468	1.3
91.03954	5.1
91.05465	5.7
93.07034	19.0
95.00755	1.3
95.01330	14.5
95.01935	1.4
95.04951	2.3
95.08600	39.7
97.02875	8.0
97.06539	4.4
97.10139	1.1
99.00793	1.9
99.04440	1.0
99.08066	1.0
101.02394	0.8
103.03930	1.9
105.07031	13.8
107.07865	1.4
107.08583	25.2
109.02893	1.3
109.06499	2.4
109.10151	21.7
111.04440	8.3
111.08067	7.0
113.02374	2.7
114.27176	0.8
115.05428	0.9
117.07024	1.7
119.08571	25.7
120.23046	1.0
121.10136	22.1
123.00786	1.0
123.08083	1.8
123.11691	8.0
125.09627	2.2
127.03889	4.7
129.05473	16.0
129.06981	1.7
131.03400	1.3
131.08565	10.3
133.10120	19.4
135.11688	17.0
137.09613	1.5
137.13219	2.8
137.39711	0.9
139.11176	12.1
141.01816	42.3
143.08549	3.1
145.04948	4.3
145.10112	12.7
147.06514	9.0
147.11674	14.5
149.13257	20.5
149.14185	0.5
151.11206	2.2
153.12747	0.8
157.10118	5.7
158.10872	1.1
159.02847	8.6
159.11681	15.8
161.13245	17.4
163.05998	8.6
163.11183	3.5
163.14807	8.0
165.07591	0.9
165.12776	3.0
169.10074	2.1
171.06554	1.0
171.11665	5.7
173.13252	9.7
175.14816	13.7
177.03996	1.9
177.12740	2.8
177.16379	11.7
179.14246	0.7
183.11688	2.3
185.13240	4.8
187.14784	12.0
189.16382	8.8
191.14314	3.7
191.17928	2.7
193.15886	3.1
195.11650	0.8
195.17502	4.8
197.13231	1.9
199.14774	6.4
201.16360	17.4
203.17932	9.4
205.15820	7.1
205.19482	1.0
207.17455	4.2
211.14815	2.2
213.16296	5.3
215.17938	13.8
217.15919	2.1
217.19540	3.4
219.17415	15.5
221.19109	1.3
225.16389	3.2
227.17926	8.7
228.76921	0.8
229.19534	3.2
230.02200	0.8
231.08905	0.9
231.17444	3.7
233.18913	4.0
237.16331	0.9
239.18008	2.4
241.19505	2.8
243.17503	1.5
243.21107	1.4
245.19009	20.2
247.20522	1.1
251.17975	0.8
253.19536	2.5
255.08653	2.1
255.21088	3.7
257.19028	2.4
259.20563	3.0
261.22235	0.8
267.21057	2.3
269.06430	0.9
269.19083	0.9
269.22653	2.7
271.20627	2.7
273.09598	0.9
273.22092	7.3
279.21146	0.8
281.22672	1.5
283.20505	1.8
285.21948	4.1
287.07651	1.8
287.23611	1.7
295.24188	1.9
299.23685	3.7
305.08618	3.9
307.24164	1.0
309.11816	2.5
311.23822	1.6
313.25333	4.2
323.27432	0.9
327.26825	1.5
363.30551	2.6
379.29950	1.1
381.31558	7.9
391.33817	0.9
403.33429	3.9
409.34598	5.5
421.34610	54.8
422.34946	2.0
439.35706	100.0
440.36087	3.2
457.36710	1.6
579.36591	1.8
597.37842	11.7
767.94543	0.9
788.44788	0.9
941.46259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01991	0.8
70.02388	1.6
98.21413	0.6
127.95889	0.5
142.76942	0.7
185.39075	0.6
293.65219	0.6
331.10022	1.3
361.04297	1.9
417.55927	0.6
477.15897	1.6
493.13159	7.8
684.17993	0.6
779.18188	7.3
941.23169	100.0
942.23547	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	938.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.2
67.05502	100.0
69.03418	8.0
69.07067	21.2
71.04968	3.9
71.57784	4.4
73.02918	4.0
79.05493	48.3
81.03432	6.4
81.07053	70.7
83.04980	8.6
83.08614	19.1
85.02898	23.1
85.06540	2.9
87.04472	4.2
90.07134	2.1
91.03957	7.0
91.05482	32.5
93.07037	46.1
94.65958	2.6
95.04959	10.9
95.08608	42.9
97.02895	9.9
97.06538	5.6
97.10165	24.5
105.07038	20.1
107.04933	2.6
107.08581	32.8
109.06532	2.5
109.10150	55.9
109.10838	4.2
111.08072	3.2
117.07014	4.5
119.08564	17.4
121.10132	24.8
123.08111	2.8
123.11724	5.6
125.09654	16.6
131.08578	13.6
133.10138	14.9
135.11711	12.7
143.10634	4.0
145.04942	2.8
145.10124	14.1
147.11702	9.2
149.02295	2.9
149.09552	2.4
149.13226	5.5
150.42009	2.2
153.12732	2.7
157.10139	3.1
159.11691	9.9
161.13295	4.0
163.05960	2.9
163.11162	4.2
163.14885	4.2
168.89351	2.5
171.11716	2.8
173.11736	9.5
173.13289	6.6
181.12230	3.2
185.13309	2.9
199.13280	9.0
209.11781	3.1
211.13272	2.7
227.12738	8.0
229.14371	36.5
243.21027	5.2
259.20557	5.4
261.22192	14.1
267.15857	5.7
301.16473	14.2
315.23312	3.3
317.24716	2.6
333.24146	3.3
335.25772	68.3
363.25168	2.5
382.12070	2.4
477.35678	11.9
489.35663	20.2
543.36755	6.8
561.37762	11.3
570.20020	3.1
579.39117	5.2
629.22351	4.3
630.22388	4.1
691.22491	2.6
749.19666	2.7
842.38281	2.8
938.42902	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	935.265
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	0.2
69.03413	0.5
69.60685	0.1
70.24519	0.1
71.01345	0.1
71.04990	7.3
73.02925	0.6
75.04449	0.4
79.05473	0.2
81.03411	0.4
83.04964	1.4
85.02901	10.7
87.04472	0.3
91.03953	0.5
95.04956	0.4
97.02891	1.0
98.21547	0.3
99.04445	0.3
109.02849	0.4
111.00823	0.2
111.04434	1.3
117.05457	0.2
121.02869	0.6
123.04434	0.4
125.02345	0.2
127.03943	0.8
129.05473	2.4
137.02333	2.9
137.03340	0.2
139.90340	0.1
145.04971	0.4
147.04387	0.2
147.06548	0.9
149.02332	0.3
153.01825	1.2
153.05440	0.3
161.06038	0.2
163.03838	0.2
163.06000	0.3
165.01740	0.3
169.01312	2.4
171.02937	0.3
171.04437	0.3
171.06598	0.2
175.03900	0.3
179.03426	0.2
181.01328	1.1
185.00749	0.3
189.05481	0.3
195.02986	0.2
199.03931	0.8
201.05539	0.2
203.03369	0.2
204.75000	0.1
217.05011	0.9
227.03346	0.6
229.04988	0.4
230.16187	0.2
231.02922	0.2
235.06033	0.1
239.09167	0.2
245.04454	2.0
255.02838	0.4
263.05435	0.6
273.03888	2.6
274.04337	0.2
287.05505	0.5
290.04141	0.4
291.04803	0.2
293.81607	0.1
301.03406	1.4
302.04074	0.1
303.04971	5.8
304.05066	0.2
315.04681	0.2
318.03534	0.5
319.04465	100.0
320.04800	2.3
331.04388	0.2
345.05981	0.2
361.05551	0.2
429.08160	0.2
447.08954	0.4
463.08429	0.2
465.10345	2.0
481.09756	17.5
482.09985	0.5
627.15320	0.7
643.15125	0.9
643.33575	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	935.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.3
69.03423	0.6
70.81872	0.2
71.01349	0.1
71.04986	7.1
73.02909	0.6
74.09681	0.1
75.04472	0.8
81.03407	0.4
83.01338	0.1
83.04974	1.3
85.02895	12.2
87.04451	0.3
88.52785	0.1
91.03944	1.3
93.03397	0.1
95.04947	0.2
97.02885	1.7
99.04456	0.3
101.03925	0.1
101.06002	0.1
109.02876	0.4
111.00771	0.6
111.04424	0.9
112.34571	0.1
115.03941	0.1
121.02839	0.7
123.04415	0.2
127.03905	1.4
129.05464	3.4
130.89789	0.1
135.04399	0.1
137.02325	2.4
145.04947	1.0
147.06512	1.6
149.02354	0.5
153.01804	2.2
155.04953	0.1
161.05945	0.2
163.03922	0.3
163.05974	0.7
165.01822	1.7
165.07587	0.1
166.02596	0.1
173.05980	0.2
174.45448	0.1
177.05443	0.1
179.03348	0.1
183.02907	0.7
183.04356	0.1
187.03906	0.2
191.03384	0.1
195.02928	0.2
196.17798	0.1
201.05490	0.9
205.04921	0.2
213.05539	0.1
215.03294	0.1
219.02995	0.1
219.06566	0.2
225.07782	0.1
229.04956	2.9
229.06639	0.1
230.05373	0.1
239.03459	0.1
245.04581	0.1
247.06041	0.7
255.08659	0.3
257.04401	2.0
258.04953	0.1
272.08606	0.1
273.09583	0.1
274.04825	0.6
275.05383	0.2
285.03976	1.2
286.04605	0.1
299.05347	0.1
303.04953	100.0
304.05304	2.7
309.11856	0.1
315.04901	0.5
319.04471	0.8
327.04959	0.2
341.06567	0.1
345.05960	0.7
369.06088	0.5
376.87875	0.1
380.65314	0.1
399.07098	0.1
411.06958	0.1
413.08707	0.1
429.07678	0.1
431.09543	0.1
447.09055	0.2
449.10684	0.2
465.10248	20.2
466.10535	0.7
481.09613	0.2
627.15271	0.3
711.96155	0.1
815.76007	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	935.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78004	0.2
68.99777	0.7
69.03421	0.9
70.81770	0.3
70.82119	0.2
71.01307	0.4
71.04988	11.2
71.05357	0.4
73.02900	0.9
75.04488	0.7
81.03361	0.4
83.04977	2.6
85.02898	15.2
87.04415	0.4
91.03901	0.6
95.04974	0.3
97.02885	1.2
98.08205	0.2
99.04401	0.5
109.02876	0.8
111.00797	1.5
111.04440	1.8
113.05934	0.2
117.05473	0.2
125.02259	0.1
127.03870	1.2
129.05470	4.2
136.68913	0.2
137.01550	0.1
137.02335	1.5
139.03825	0.2
143.03419	0.2
145.04936	0.4
147.04364	0.3
147.06511	1.5
151.03864	0.2
153.00554	0.3
153.01819	5.8
153.05353	0.7
163.03903	0.2
163.06015	0.6
165.00536	0.2
165.01831	2.9
166.02631	0.3
169.01335	0.2
171.06499	0.2
177.05437	0.3
179.03371	0.9
182.83423	0.1
183.02876	0.9
186.80385	0.1
189.05453	0.3
191.03453	0.2
193.01324	0.2
195.02890	0.7
201.07649	0.2
203.03377	0.3
207.02858	0.7
217.04958	1.8
221.04454	0.2
221.08035	0.2
227.03279	0.2
229.04907	0.3
235.02321	0.3
235.05945	0.3
236.11241	0.2
239.09111	0.6
245.02013	0.1
245.04428	3.2
255.02930	0.4
255.08676	0.2
257.04379	0.2
257.10394	0.2
263.05609	0.7
273.03915	4.2
275.11328	0.3
290.04199	1.1
291.04977	0.2
301.03448	1.0
303.04965	5.6
318.03601	0.2
319.04453	100.0
320.04791	2.2
329.02765	0.2
331.04575	0.9
343.04526	0.5
357.06021	0.2
361.05472	2.0
363.15207	0.1
385.05463	0.6
411.07101	0.3
427.06976	0.2
429.08316	0.4
447.09088	0.6
463.08890	0.3
465.10284	2.7
465.16342	0.2
481.09738	29.0
482.09888	0.9
627.15808	0.8
643.15149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99766	0.5
69.03437	0.8
71.01329	0.3
71.04990	11.1
71.32161	0.4
73.02919	0.9
75.04462	0.8
75.12603	0.2
81.03371	0.5
83.04980	2.6
85.02900	15.7
87.04436	0.4
88.82244	0.1
91.03899	0.5
95.04941	0.3
97.02879	1.1
99.04404	0.5
101.05988	0.4
103.03902	0.2
104.81357	0.2
109.02869	1.2
111.00802	2.1
111.04447	2.0
113.05982	0.2
117.05496	0.3
121.02850	0.3
121.48044	0.2
125.02307	0.3
126.03132	0.2
127.03899	1.1
129.05478	4.4
137.02350	1.5
139.03874	0.4
145.04907	0.4
147.04465	0.2
147.06520	1.5
149.05968	0.2
150.25340	0.2
153.01820	7.8
153.05382	0.6
163.03822	0.2
163.05989	0.5
165.00552	0.3
165.01830	4.6
166.02534	0.4
171.02960	0.3
173.06000	0.2
177.05464	0.5
179.03397	1.3
183.02895	0.9
189.05484	0.5
193.01350	0.2
195.02902	0.8
199.03828	0.2
200.27077	0.2
201.05374	0.2
203.03319	0.3
207.02853	0.6
217.04926	1.5
220.32195	0.2
221.04497	0.3
227.03369	0.4
229.04970	0.4
231.02847	0.2
232.03561	0.3
235.02396	0.3
235.06059	0.2
239.09132	0.6
245.04453	3.6
255.02907	0.7
255.08707	0.2
257.10056	0.3
263.05594	1.0
273.03918	5.9
274.04727	0.2
275.11292	0.3
277.03409	0.2
283.02399	0.4
287.05386	0.3
290.04254	1.6
291.05060	0.2
301.03433	1.3
303.04919	2.6
318.06906	0.2
319.04459	100.0
320.04785	2.7
331.04419	0.8
343.04395	0.3
352.88730	0.2
361.05429	1.7
385.05411	0.7
411.06931	0.2
411.83945	0.2
429.08093	0.9
447.09015	0.7
463.08582	0.3
465.10208	2.4
481.09747	35.1
482.10257	1.6
507.10577	0.2
627.15674	0.9
643.14703	0.6
754.31348	0.2
951.83942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	15.2
69.03429	8.4
69.07071	6.6
71.01347	1.9
71.04988	1.2
73.02911	7.7
79.05490	10.0
81.03413	3.3
81.07053	13.4
83.04969	1.3
83.08604	4.3
85.02904	21.5
87.04453	0.9
91.03952	11.8
91.05482	9.0
92.82983	0.6
93.07042	10.5
95.04955	3.3
95.08606	12.2
97.02888	16.6
97.06536	1.8
97.10185	1.9
98.21470	1.1
99.04436	1.7
101.02387	3.9
103.05455	0.9
105.07026	10.1
107.08592	7.0
109.02870	1.5
109.06538	1.4
109.10157	4.2
111.08112	1.2
111.39366	0.6
115.03934	1.4
115.05456	0.8
117.07008	5.0
117.71201	0.6
119.08582	7.5
121.06483	1.1
121.10162	4.5
123.08009	0.8
123.11720	1.0
125.09579	0.7
127.03918	5.0
128.06201	1.3
129.06985	6.4
131.08583	8.0
133.10114	5.4
135.11693	2.4
141.06937	3.4
142.07773	2.0
143.08574	8.0
145.04953	3.5
145.10109	6.7
147.11684	3.6
149.13281	1.1
153.07039	1.4
154.07727	0.7
155.08562	6.1
156.09358	1.0
157.10103	7.1
159.11716	5.0
161.13240	1.3
163.06032	0.9
163.14857	1.1
165.06972	0.8
167.08595	2.8
168.09370	1.4
169.10123	7.6
170.10747	0.7
171.11691	6.8
173.13264	2.7
175.14896	1.4
179.08531	2.1
181.10164	4.9
183.11664	8.2
185.13278	4.9
187.14874	1.7
189.16418	1.2
191.08664	0.7
193.10088	1.4
195.11697	5.7
196.12381	0.9
196.68149	0.6
197.13249	6.4
199.14812	3.1
205.10159	0.8
207.11749	2.8
209.13242	4.7
211.14789	4.6
211.80089	0.6
213.16406	2.1
219.11803	1.5
221.13310	2.0
223.14761	3.1
225.16347	2.7
227.18193	1.5
229.19579	0.6
233.13339	1.0
235.14894	2.1
237.16435	2.5
239.18050	1.5
247.14711	0.7
249.16573	1.2
251.17986	1.6
253.19598	0.8
265.19861	0.8
267.21207	1.2
281.22571	0.8
313.27417	2.6
321.22247	0.9
333.13385	1.5
335.25848	2.6
336.26224	2.2
336.29883	0.7
349.25436	1.1
379.30045	1.1
501.35617	1.5
503.63138	0.8
513.35663	0.9
515.38354	0.9
517.40326	4.4
535.41339	2.0
539.37366	1.8
541.39093	0.8
563.96130	0.7
573.43164	0.9
591.43896	3.7
607.43390	3.4
609.45099	100.0
610.45331	3.0
621.44781	2.1
625.43500	0.7
633.44696	1.4
635.24701	0.7
651.46259	1.3
675.46423	1.0
686.39276	1.3
699.46118	0.8
717.46991	1.6
735.48004	1.7
753.49701	3.4
771.50464	25.8
918.69415	0.8
933.55853	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	933.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.1
70.70725	0.3
71.01327	0.3
71.04988	10.6
73.02914	0.8
73.03239	0.2
75.04439	0.5
81.03400	0.3
83.04573	0.2
83.04969	2.1
85.02899	14.7
87.04434	0.3
91.03915	0.6
92.02579	0.3
93.03355	0.6
95.04915	0.3
97.02892	1.0
99.04415	0.5
109.02869	0.2
111.03780	0.2
111.04431	1.6
113.05910	0.2
117.05466	0.4
121.02829	0.6
121.06492	0.2
122.83743	0.2
126.03078	0.3
126.26804	0.2
126.37473	0.2
127.03857	0.7
129.05472	3.6
137.02304	0.5
139.03908	1.0
145.04955	0.4
147.06502	1.2
151.03883	0.9
153.01811	4.3
153.05391	0.3
163.03873	0.3
163.05959	0.4
165.01791	0.5
177.05446	0.3
201.05444	0.4
217.04944	0.3
218.05663	0.3
228.04167	0.4
229.04977	2.2
231.02896	0.2
234.67477	0.2
239.09117	0.3
245.04327	0.5
246.05203	1.2
255.08713	0.3
257.04443	2.4
260.03110	0.3
261.07428	0.4
271.05981	0.3
273.03992	1.0
274.04694	3.3
284.02994	0.3
285.03900	4.2
293.12491	0.2
302.04181	12.7
303.04602	0.5
314.04163	0.2
316.05527	0.2
317.06531	100.0
318.06891	2.2
329.06476	0.6
341.06589	0.3
359.07687	1.5
381.47028	0.2
383.07672	0.5
409.09103	0.3
427.10028	0.6
445.11023	0.3
461.10617	0.3
463.12164	0.8
479.11816	26.3
480.12213	0.9
612.35059	0.2
625.17267	0.4
756.75549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
69.03412	0.2
70.38496	0.3
71.04988	6.0
75.04459	0.2
77.87959	0.1
81.03410	0.2
83.04969	0.4
85.02898	6.7
87.04442	0.2
88.28524	0.1
89.03880	0.2
91.05471	6.9
92.02605	0.3
93.03400	0.4
95.04954	0.2
97.02862	0.3
99.04483	0.1
107.04981	0.2
108.54987	0.1
109.02874	0.2
111.04438	0.4
117.03406	0.5
119.04930	15.0
120.05269	0.2
121.02888	0.8
123.04408	0.1
126.03142	0.2
127.03917	0.4
129.05461	1.6
135.04373	0.2
137.02359	0.3
139.03905	0.7
145.02835	1.6
147.04395	51.6
148.04782	0.6
149.05940	0.2
151.03886	0.8
152.96834	0.1
153.00548	0.2
153.01813	4.6
163.03952	0.2
165.01808	0.6
165.05470	0.9
173.05998	0.1
175.03801	0.2
177.05460	2.7
183.02885	0.2
187.07631	0.1
192.42886	0.1
201.05495	0.6
203.03438	0.2
203.06998	0.1
205.05042	0.1
213.05540	0.2
215.06990	0.1
217.04971	0.4
218.05742	0.4
228.04134	0.6
229.04958	2.3
229.08475	0.1
231.02829	0.1
231.06535	0.6
241.05031	0.1
243.06549	0.2
245.04494	0.6
246.05200	1.2
256.03647	0.1
257.04428	2.1
258.05032	0.1
260.03201	0.3
261.07559	0.4
271.05997	0.3
273.03906	1.2
273.07428	0.3
274.04706	3.7
275.08875	0.2
284.03146	0.3
285.03925	3.6
286.04459	0.2
287.05475	6.5
288.05948	0.3
291.08621	1.2
293.10144	0.4
299.05807	0.1
301.03394	0.1
302.04187	12.2
303.04755	0.4
309.09677	1.2
316.05920	0.1
317.06519	100.0
318.06854	2.6
322.25128	0.1
329.06619	0.2
339.10583	0.2
345.05780	0.1
359.07578	0.4
427.10266	0.1
449.10779	1.2
463.12759	0.2
479.11810	19.3
480.12006	0.7
625.15570	0.2
769.19476	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	933.2651
Annotation	Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside]
Peak:m/z	Relative Intensity
65.03945	0.1
68.99794	0.3
69.03426	0.5
69.81555	0.5
71.04988	6.7
73.02891	0.1
75.04482	0.2
78.89439	0.1
79.05474	0.1
81.03419	0.9
83.04972	0.6
83.66167	0.1
85.02898	13.4
87.04468	0.2
89.03909	2.4
91.05476	0.9
95.04983	0.2
97.02882	2.3
99.04427	0.2
99.87625	0.1
105.03379	0.2
106.04187	0.1
107.04919	0.2
109.02869	0.9
111.00811	0.5
111.04433	0.4
117.03371	7.3
119.04925	1.5
121.02859	2.0
121.06494	0.1
124.05148	0.2
127.03914	1.0
129.05478	1.3
133.02852	0.3
134.03638	0.5
135.04417	0.5
137.02357	0.5
139.03827	0.1
145.02837	18.2
145.04929	0.7
146.03221	0.2
147.04399	5.8
147.06456	0.3
149.04791	0.1
149.05975	2.5
151.03914	0.2
153.01820	2.7
157.06483	0.2
163.03925	0.2
165.01808	1.2
165.05423	0.2
171.04376	0.2
177.05455	31.8
178.05817	0.4
183.02911	0.6
185.06001	0.2
186.05551	0.3
189.05524	0.2
195.06509	1.5
197.06015	0.2
203.03381	0.1
213.05437	0.9
229.04913	0.5
231.06468	0.6
241.04884	0.7
243.06445	0.2
245.04478	0.1
257.04477	0.2
258.05243	0.7
259.05960	0.3
262.78940	0.1
266.16687	0.1
269.04443	0.2
273.04044	0.2
274.04688	0.4
285.03864	0.4
287.05472	100.0
288.05783	2.0
299.05447	0.3
302.04172	1.6
305.10184	0.2
309.09625	0.2
317.06534	11.9
318.06860	0.2
321.09702	0.3
323.11392	0.2
329.06662	0.4
339.10745	2.2
395.07388	0.2
397.09338	0.1
413.08890	0.1
433.11533	0.2
449.10773	15.2
450.11404	0.5
479.11774	2.5
485.16394	0.5
508.25510	0.1
625.15387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.63
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	40.5
69.03438	2.2
69.07065	10.9
71.04977	1.7
71.08630	17.2
73.02917	4.4
79.05495	23.3
81.06584	2.5
81.07056	45.7
83.04983	2.5
83.08607	11.8
85.02921	15.8
85.06518	1.4
85.10178	11.2
91.03956	11.3
91.05473	12.9
93.07042	30.4
95.04987	3.5
95.08611	40.0
97.02886	8.2
97.06503	2.2
97.10169	6.1
105.07034	11.2
107.08599	17.3
109.10149	17.3
111.08055	1.8
114.18588	1.4
117.07011	4.4
119.08584	7.8
121.10149	15.6
123.11690	7.5
126.33131	1.5
127.03934	3.9
131.08575	8.4
133.10123	7.3
135.11693	9.9
137.13255	2.5
141.94847	1.4
145.04951	4.1
145.10147	4.9
147.11707	5.1
149.13246	8.1
159.11760	4.5
161.13272	2.3
163.06001	5.2
163.14883	4.7
173.13258	3.8
175.14850	2.1
187.14935	1.9
217.14038	1.4
239.23706	2.2
242.75089	1.6
243.21169	6.2
257.24991	1.9
261.22144	41.8
279.23044	1.6
313.27362	100.0
317.24826	5.6
335.25793	82.5
573.48779	42.1
591.49506	6.2
733.42749	1.7
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
67.05505	64.9
69.07061	16.3
71.04980	4.5
71.51661	2.3
71.58131	4.0
79.05495	51.1
81.03430	7.2
81.06581	5.1
81.07054	67.7
83.01317	3.9
83.04995	7.7
83.08620	10.9
85.02888	4.6
91.03931	3.3
91.05473	46.9
93.03414	4.3
93.07041	50.6
95.01328	7.4
95.04973	14.7
95.08607	45.6
97.02880	5.8
97.06533	3.1
103.05457	4.4
105.04522	3.0
105.07034	31.7
106.77728	2.9
107.04960	12.9
107.08595	25.5
109.06543	5.5
109.10152	21.0
115.05463	6.1
117.06315	2.9
117.06977	15.6
119.08576	24.7
121.10154	19.3
123.04440	3.7
123.11716	9.7
125.02396	4.1
129.05510	4.7
129.07021	16.8
131.04933	3.4
131.08554	24.3
133.06500	7.5
133.10138	22.5
135.04399	8.2
135.08028	5.4
135.11719	11.3
139.03943	3.1
141.06995	8.0
143.08533	14.3
145.06503	8.7
145.10138	14.5
147.04413	8.5
147.08026	4.9
147.11678	14.0
149.02361	5.3
149.05966	3.0
149.13258	6.3
151.03920	5.3
154.16394	2.9
155.08568	9.1
157.06522	3.1
157.10110	16.8
159.04402	4.0
159.08116	3.9
159.11682	14.9
161.05992	5.9
163.03946	7.3
163.14925	3.0
167.08598	4.7
169.10083	13.1
171.08081	4.3
171.11685	8.3
173.05956	11.5
173.09703	5.9
173.13304	8.5
175.03947	7.8
177.05464	5.0
181.10085	3.2
183.11737	5.4
185.09709	4.2
185.13307	5.6
187.03862	3.6
187.11157	4.0
187.14944	5.6
189.05472	6.5
195.11739	3.4
197.09706	4.5
197.13353	4.6
199.11272	3.1
201.05504	3.8
209.09677	2.7
209.13673	3.2
213.12758	4.9
215.10617	4.8
217.05043	5.0
217.08507	3.0
221.04480	15.7
223.11176	3.4
225.09068	4.0
227.10837	3.0
233.11719	7.8
235.05984	3.6
241.12256	8.6
243.10220	3.8
243.21043	4.7
251.10675	3.9
255.10020	2.9
259.13275	5.3
261.22061	13.3
269.11749	9.3
277.10773	6.7
287.12811	11.4
297.11279	7.3
305.13828	5.5
313.27219	13.0
315.12225	21.0
333.13315	87.0
333.24207	3.7
335.25787	100.0
351.14462	10.3
384.66827	2.9
407.16946	7.5
417.31635	4.0
418.73441	3.2
425.18033	71.2
435.32452	8.3
443.19171	11.7
457.20819	6.7
509.36526	6.1
527.37286	61.9
528.38220	24.0
529.39258	16.0
539.31543	4.4
557.32428	4.7
575.33508	7.2
593.34900	14.7
611.35529	16.2
649.37653	4.6
667.38531	21.4
685.39410	84.3
686.40015	5.2
703.40381	41.8
704.40143	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	932.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.3
67.05504	51.7
69.03416	5.1
69.07068	16.6
70.20002	7.8
71.04989	2.0
71.08619	2.2
73.02920	1.9
79.05492	43.4
81.03409	7.0
81.07056	51.4
83.04951	2.7
83.08618	9.1
84.43317	1.6
85.02900	4.8
85.06532	2.6
85.10140	1.6
88.78281	1.6
91.05479	24.6
93.03403	1.8
93.07038	39.7
95.01334	7.4
95.04961	11.4
95.08602	37.4
97.02885	3.0
97.06519	3.0
97.10165	3.6
103.05447	1.9
105.03450	2.0
105.07023	23.4
107.04953	6.8
107.08595	20.3
109.02876	1.9
109.06506	2.5
109.10136	13.0
115.05431	3.2
117.07014	10.9
119.08568	19.1
121.06494	5.3
121.10123	13.6
123.04412	3.4
123.08062	1.7
123.11697	6.3
125.09639	2.3
128.06180	2.8
129.05492	2.9
129.07002	11.8
131.04927	4.0
131.08551	16.6
133.06468	4.9
133.10095	12.5
135.04416	5.3
135.08054	2.1
135.11687	11.8
137.05942	2.1
137.09581	1.7
141.07014	6.2
142.07745	2.7
143.08572	8.1
145.06447	6.7
145.10120	13.4
147.04387	3.2
147.08047	2.9
147.11676	6.8
149.02383	3.0
149.09583	2.5
149.13246	4.9
151.03905	2.1
153.06992	2.9
155.08522	6.3
157.06566	4.0
157.10071	8.6
159.04417	3.2
159.08028	2.3
159.11729	7.1
161.06013	5.5
161.09637	3.7
161.13219	3.2
163.03867	4.9
163.14806	2.1
165.05472	2.6
165.06886	3.5
167.03429	2.0
167.08510	3.4
169.10132	3.7
171.08031	3.1
171.11761	4.7
173.04601	2.2
173.06033	4.6
173.13258	4.1
175.03912	4.1
175.11119	3.0
175.14737	1.7
177.05505	3.2
177.12766	2.4
181.10130	3.4
182.10783	1.7
183.08011	3.5
183.11754	3.3
185.06039	2.6
185.09595	3.3
185.13255	4.9
187.07472	2.7
187.10881	1.8
187.14900	2.0
189.05481	7.2
189.12775	1.9
191.03381	1.9
193.10077	2.2
195.11696	4.1
197.09564	3.1
197.13229	4.2
199.11176	3.8
199.14633	2.6
201.05447	2.6
205.04828	1.6
205.10048	1.8
213.09090	2.8
213.12729	2.9
215.10744	4.1
217.04881	2.4
221.04478	8.2
223.11157	2.2
225.09067	3.8
227.10608	2.6
233.11736	6.4
235.05858	1.9
241.12302	5.7
243.10091	3.3
243.13773	1.8
251.10667	4.3
255.09993	2.6
259.13297	2.7
259.20541	2.3
261.11249	2.3
261.22144	7.0
269.11725	7.7
271.13226	1.9
277.10690	3.0
287.12784	7.3
297.11203	5.0
305.13745	4.1
311.25735	2.5
312.25949	2.0
313.27344	8.4
315.12338	13.2
317.24677	1.7
333.13306	51.3
333.24130	3.1
335.25787	100.0
347.14655	3.0
351.14377	6.6
379.17114	2.4
407.17047	8.2
425.17996	35.5
435.32547	4.2
443.19308	3.4
457.20639	4.4
509.35800	3.3
527.30121	2.4
527.37354	28.1
528.37872	9.1
529.38885	4.8
539.31134	2.0
557.32349	2.9
573.48663	3.1
575.33490	3.0
593.34540	5.6
611.35498	13.0
629.36243	2.7
649.36969	4.9
667.38727	10.1
681.39642	4.8
685.39380	45.0
699.40765	2.2
703.40411	42.9
704.58734	2.2
717.42383	3.1
898.97906	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	932.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	5.2
67.05502	68.7
69.03410	4.2
69.07072	16.0
71.04985	4.3
71.08633	2.4
71.31921	5.5
79.05487	53.9
81.03399	9.2
81.06590	4.0
81.07053	65.4
83.04939	4.0
83.08613	10.2
85.02886	5.8
91.05479	47.8
93.07039	55.0
95.01314	4.5
95.04958	13.6
95.08602	50.3
97.02856	4.2
97.06495	4.5
97.10155	5.4
98.28035	2.3
99.08146	2.3
103.05470	3.2
105.03383	2.3
105.07028	38.8
107.04952	9.3
107.08593	27.9
109.02833	3.7
109.06490	5.3
109.10144	15.8
111.00768	3.8
111.04430	2.4
111.08043	2.8
113.02415	2.7
115.05432	6.7
117.07036	20.2
119.08553	19.3
121.02885	6.1
121.06478	6.3
121.10129	17.3
123.04420	4.9
123.08108	5.1
123.11718	3.5
125.02294	3.1
127.03888	4.4
128.06186	4.8
129.07004	14.2
131.04901	4.6
131.08548	18.5
133.06467	6.6
133.10143	15.0
135.04416	10.5
135.08025	4.3
135.11679	12.9
135.94325	2.4
137.05939	3.1
137.09583	3.4
139.03838	3.0
141.07001	7.1
143.08502	9.7
145.06471	9.2
145.10139	11.6
146.07239	2.7
147.04434	8.8
147.08018	5.8
147.11630	11.1
149.02295	5.1
149.05980	6.2
149.13223	6.5
151.03886	10.7
151.11171	2.5
154.07848	2.4
155.08542	4.7
157.06564	5.7
157.10081	10.2
159.04454	3.2
159.08058	3.1
159.11699	13.4
161.06001	5.5
161.13231	6.7
163.03891	51.3
163.14691	3.0
165.05499	3.8
165.06982	4.5
167.03400	3.6
167.06871	2.3
167.08437	3.1
169.10136	6.9
171.08063	3.9
171.11714	9.3
173.04439	5.1
173.05873	5.5
173.13242	4.5
175.03867	12.6
175.11198	3.8
175.14793	3.2
177.05421	6.2
179.03394	8.9
181.04965	6.8
181.10092	5.2
185.09526	4.8
185.13187	2.7
187.11188	10.0
187.14836	2.5
189.05469	5.2
189.12749	11.7
195.11716	3.2
197.09648	4.7
199.11198	10.0
201.05559	4.7
205.05019	3.7
205.12088	3.8
209.09604	3.9
213.05392	2.6
213.09337	2.6
215.10675	11.8
217.12241	6.5
223.11057	4.2
225.09087	3.9
227.10637	7.2
233.11760	16.4
241.12263	3.4
243.10201	11.1
243.21205	3.4
243.85001	2.7
245.11642	4.9
259.13339	4.2
261.11185	7.8
261.22095	14.1
265.06607	2.7
269.11646	8.2
273.11179	3.2
279.12296	5.7
287.12769	7.4
289.14328	15.0
293.13861	9.0
297.13614	3.6
305.13797	7.2
311.14795	8.8
311.25784	9.4
312.26108	3.3
315.12155	8.9
317.13870	2.5
323.14853	7.3
333.13358	17.3
333.24237	5.3
335.14926	5.6
335.25778	100.0
347.14835	5.4
351.14377	4.1
365.16064	4.9
367.17453	30.5
379.17538	13.2
407.16965	9.1
421.18353	2.5
435.72971	2.3
439.19522	7.4
457.20602	12.3
527.37274	3.3
528.37976	2.6
557.32587	3.2
601.05554	2.6
621.38397	3.2
627.38916	18.7
631.35809	2.9
639.38953	12.2
649.37201	8.6
657.39447	3.9
663.38818	3.5
667.38531	30.5
668.38464	3.4
681.39716	38.1
685.39423	4.7
699.40967	27.8
717.41766	25.2
832.42963	3.0
843.44226	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	928.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.4
68.01313	0.7
69.03419	15.0
69.07063	13.7
70.78309	0.7
70.91933	1.6
71.01337	3.1
71.04985	46.4
71.08601	1.0
73.02908	12.4
75.04480	3.9
75.52728	0.7
79.05476	6.4
80.82278	0.8
81.03408	1.9
81.07044	26.4
83.04972	19.4
83.08607	6.4
85.02895	85.8
87.04472	2.4
91.05454	5.8
93.07031	17.8
95.01305	4.2
95.04947	2.3
95.08598	50.7
96.08936	0.8
97.02882	28.1
97.10172	4.3
99.04423	3.8
101.05994	1.0
103.03924	2.1
105.07014	13.0
107.04980	0.7
107.08583	28.5
109.02889	1.2
109.06493	1.1
109.10144	31.8
111.04426	18.9
111.11684	1.7
113.02354	2.9
113.06026	1.1
115.03918	21.8
117.05459	1.5
117.06977	1.6
119.08565	21.0
121.10133	29.3
123.04428	2.0
123.11692	17.6
125.05992	1.0
127.03902	2.2
129.05470	36.3
131.08569	3.7
133.04945	7.2
133.10109	18.4
135.10678	1.5
135.11673	22.6
137.05928	0.9
137.13239	10.3
139.03885	4.5
139.07559	1.3
141.01816	22.7
145.04944	1.7
145.10094	9.2
146.08134	0.8
147.04420	0.8
147.06503	19.3
147.07707	1.1
147.11673	14.3
149.04433	1.3
149.13245	25.2
150.07681	0.8
151.03990	0.9
151.14755	1.0
153.05478	1.4
153.09091	3.3
156.26350	0.7
157.04926	2.1
157.10089	1.0
159.02882	7.8
159.11671	5.4
161.13258	8.8
163.07433	0.7
163.14822	6.3
164.09178	3.0
165.05472	1.3
165.07579	1.6
169.04959	1.8
171.06500	1.5
171.11737	1.6
173.04552	0.8
173.13260	5.3
175.14813	9.7
177.03952	2.5
177.09250	0.9
177.16396	7.8
179.07059	0.8
179.10690	1.9
179.17957	2.3
181.04892	0.8
183.06476	1.0
185.13321	0.9
187.14825	3.3
189.16359	32.5
190.16490	1.0
191.10699	0.8
191.17931	51.4
192.18243	0.9
193.19560	1.3
195.06464	1.0
199.06023	1.3
199.14771	1.8
201.16364	41.8
203.17940	40.5
205.19501	39.0
205.21458	1.6
207.06708	0.8
207.17528	1.7
212.51524	0.7
213.07559	0.9
213.16331	1.4
215.17955	14.0
217.07088	4.2
217.19530	8.4
219.05003	1.9
219.17436	1.5
221.15338	1.0
221.18893	1.2
225.07542	12.1
227.17992	1.4
229.19611	2.0
231.08635	1.7
231.17317	0.9
231.21091	2.9
233.15302	1.1
235.16920	6.0
241.19420	2.1
243.08649	12.3
243.21022	5.3
245.22614	3.3
247.16904	22.3
249.18471	7.9
250.19655	0.8
255.05011	1.4
255.21045	2.3
257.22659	1.7
259.16882	0.9
261.09732	5.1
261.18460	9.5
269.06528	2.4
269.22644	2.4
273.06058	4.8
275.20074	1.3
279.10736	16.2
287.07523	4.0
287.20132	1.6
289.21555	3.1
291.07141	4.1
296.13501	0.8
301.21725	1.5
305.08624	8.0
307.43900	0.8
309.08139	3.2
315.23251	2.0
323.09714	2.5
355.26254	1.7
393.35120	16.8
401.10794	2.0
411.36154	1.5
421.34683	1.2
437.33960	1.0
439.35681	100.0
440.35938	3.4
461.26282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.6
67.05502	6.5
69.03421	3.8
69.07057	6.8
71.01337	2.8
73.02917	1.2
79.05479	5.7
81.06577	1.2
81.07049	20.2
81.07524	1.3
83.08600	3.4
83.14314	0.5
85.02897	23.4
85.06492	0.6
87.00816	7.6
87.04457	0.6
91.05462	6.4
93.07039	16.4
95.01323	7.6
95.04971	1.6
95.08598	39.8
97.02882	5.0
97.06513	1.7
97.10168	2.0
98.20733	1.5
99.00794	1.4
103.03928	2.4
105.01855	5.7
105.07017	24.8
107.08590	23.1
107.09229	0.5
109.06451	0.8
109.10149	15.6
111.08086	2.8
113.02349	10.2
113.05980	0.7
115.05481	1.0
117.07021	2.7
119.08571	33.9
121.06519	2.3
121.10133	19.3
123.08080	2.4
123.11697	7.7
125.05953	0.6
125.09668	1.0
127.03889	1.3
129.06987	1.0
130.07822	0.6
131.03401	7.9
131.08553	11.1
133.09105	1.3
133.10117	28.5
135.11681	11.9
137.13222	2.2
139.07544	0.7
141.01813	26.3
143.08545	2.4
145.04948	1.4
145.10115	23.6
147.08031	1.3
147.11676	23.6
149.06059	0.7
149.09563	1.2
149.13251	15.3
151.07607	0.7
151.14828	0.8
153.09123	2.3
157.10176	3.6
158.10820	0.7
159.02870	10.1
159.11670	10.9
161.09637	4.9
161.13255	18.0
162.07516	0.7
163.11203	1.2
163.14809	20.0
169.10175	1.2
171.11641	2.5
172.12462	0.7
173.13237	16.9
175.11299	1.1
175.14813	35.2
177.03911	1.2
177.12816	0.8
177.16376	17.6
179.10706	1.3
180.08633	1.1
183.11723	1.5
185.13217	4.0
187.14806	45.4
188.11737	0.6
188.15155	0.8
189.12753	5.1
189.16364	48.3
190.16766	1.5
191.14294	17.2
191.17886	6.4
193.12225	1.1
193.15889	2.1
197.13272	0.8
199.02356	0.8
199.14809	4.3
201.16368	26.1
202.16647	0.7
203.14326	2.0
203.17941	36.8
204.18437	0.6
205.15846	1.6
205.19522	1.4
207.17511	3.5
211.14742	1.5
213.16393	5.5
215.14536	1.3
215.17941	7.2
217.03392	1.4
217.15846	2.6
217.19539	1.1
219.13806	1.9
219.17398	1.5
220.03366	0.7
221.15370	11.3
223.14870	0.6
225.16373	1.0
227.17857	3.9
229.15901	1.1
229.19466	4.2
231.17422	3.3
231.21158	0.9
233.15413	2.9
235.16876	6.1
237.14799	1.2
239.17989	3.5
241.19464	3.7
243.21010	0.8
245.02905	10.4
245.15486	0.9
247.16936	9.2
247.20592	1.3
249.18483	10.4
253.19606	1.7
255.21066	1.1
259.16855	1.1
261.18518	5.7
263.03958	9.7
267.21133	1.8
273.18555	1.3
275.20059	2.4
281.22488	1.3
283.24179	1.5
285.18500	2.3
295.24149	1.2
299.20016	0.7
307.24222	1.2
313.07227	1.0
327.23169	1.5
341.24612	1.3
353.24881	0.8
367.33429	1.6
377.31985	15.0
378.32562	0.6
380.27249	0.9
387.30383	1.2
391.21283	0.6
395.33060	53.1
396.33398	2.0
397.34671	3.2
405.31436	7.9
423.32547	100.0
424.32678	3.1
425.34271	2.1
433.31018	1.9
441.33603	45.8
442.33823	1.6
451.32101	10.0
465.17447	0.6
469.33124	22.7
667.34473	4.3
685.35626	0.7
685.83984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	0.8
67.05502	10.6
68.97957	0.5
69.03429	3.2
69.07067	8.8
71.01350	12.2
71.57250	1.1
73.02908	6.0
75.04485	3.4
77.61870	0.5
79.05121	0.7
79.05500	6.4
81.03404	1.1
81.06581	1.2
81.07051	20.2
83.01325	0.6
83.08611	4.3
85.02898	34.2
91.03954	11.8
91.05475	5.5
91.51703	0.6
93.06474	1.0
93.07040	17.5
94.84557	0.5
95.01324	16.1
95.04962	1.0
95.08600	42.4
97.02894	10.9
97.10163	3.3
99.00806	1.8
99.04448	2.0
101.02379	24.1
103.03914	1.4
105.07021	17.6
106.32517	0.6
107.08587	27.1
109.02865	1.5
109.06473	1.3
109.10147	29.0
111.08080	5.7
111.11734	2.7
113.02359	2.7
115.03914	1.0
117.07025	2.2
119.08573	23.2
120.76876	0.6
121.10136	21.4
123.08022	1.1
123.11705	11.9
125.09655	0.7
126.37855	0.5
127.03909	58.1
129.06987	0.8
131.03374	1.4
131.08568	5.8
133.10120	19.5
135.10681	1.1
135.11688	16.0
137.13226	4.0
139.11172	1.6
141.01817	44.7
143.08546	1.6
144.09386	0.7
145.04948	56.8
145.10114	12.5
147.11668	17.6
149.13248	13.3
151.11165	1.3
151.14821	1.0
157.08942	0.5
157.10115	3.8
158.10991	0.6
159.02887	6.1
159.11696	12.9
161.13255	16.3
163.06003	11.4
163.11217	0.7
163.14813	9.1
164.90082	0.5
165.12741	0.8
169.10094	1.4
171.11624	3.6
173.13249	10.3
175.14804	11.4
177.03949	2.2
177.16376	16.2
179.17960	2.5
183.11656	1.0
185.13159	2.8
187.14806	9.5
189.16374	15.0
191.14352	0.7
191.17946	7.5
193.15889	1.7
195.17398	0.6
197.13304	0.7
199.14749	3.7
201.16368	21.9
203.17958	18.5
203.19394	0.4
205.15857	6.0
205.19446	3.8
207.17484	3.4
211.14894	1.2
213.16383	5.4
215.17947	9.3
217.15918	2.6
217.19498	18.6
219.17392	3.5
219.20984	1.0
225.16348	1.3
227.17926	6.8
229.19499	8.7
231.17421	1.8
231.21077	2.4
233.18980	1.8
239.17886	0.8
241.19427	3.3
243.21085	5.6
245.19038	2.3
245.22563	0.8
253.19521	1.2
255.21056	4.5
257.22662	5.2
259.20630	1.9
261.22180	0.6
267.21069	1.8
269.22522	5.1
271.20779	0.6
271.24158	2.1
280.20102	0.6
280.63629	0.6
281.22659	2.1
283.24249	1.6
285.22089	1.0
285.25668	0.6
295.24152	1.3
297.25830	2.5
299.24234	0.7
309.25800	0.7
311.27267	1.4
313.25333	2.1
323.27252	0.6
349.29089	0.6
365.31967	7.4
393.35141	1.3
405.35141	27.8
406.35281	1.0
423.36179	100.0
424.36508	3.3
441.37384	2.0
549.39136	1.6
567.40125	1.5
581.38281	6.5
599.39398	6.3
684.77380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81709	0.5
65.03951	0.8
67.05502	9.4
69.03410	2.0
69.07063	8.2
70.92297	0.5
71.01352	10.8
71.04984	0.9
73.02910	5.1
75.04491	2.9
77.03922	0.5
79.05488	6.4
81.03403	1.2
81.07056	20.6
83.01305	0.7
83.08607	4.3
85.02901	34.7
91.03951	12.2
91.05470	6.5
93.06478	0.9
93.07042	15.9
95.01324	18.5
95.04958	1.1
95.08604	39.7
97.02884	9.4
97.10168	2.5
99.00791	1.4
99.04436	1.8
99.08115	0.4
101.02378	22.8
103.03917	1.2
105.07027	16.6
105.07570	0.3
105.07759	0.5
107.08588	24.8
109.02834	1.0
109.06483	1.3
109.10152	26.8
110.14642	0.5
111.08077	5.8
111.11698	1.1
113.02370	2.1
115.03912	1.0
117.07003	1.5
119.08572	21.1
121.10137	23.0
123.00780	1.0
123.08083	0.7
123.11699	10.4
125.09600	0.9
127.03912	53.5
128.06195	0.4
129.07011	1.0
131.03383	1.6
131.08575	5.8
133.10126	18.6
135.11684	14.0
137.09615	0.5
137.13255	3.4
139.11119	1.2
141.01820	40.8
143.08577	2.8
144.09384	0.9
145.04951	54.1
145.10114	11.5
145.11285	0.6
147.11681	15.8
149.13260	14.4
149.14270	0.3
151.11186	0.8
151.14819	0.7
151.27731	0.5
154.07909	0.5
157.10120	3.7
158.10806	0.5
159.02876	5.8
159.11684	13.8
161.13251	14.2
163.06024	10.4
163.11211	0.6
163.14816	8.0
165.12718	1.2
165.16322	0.5
171.11678	3.2
172.12517	0.5
173.13275	10.1
175.14824	11.0
177.04002	1.1
177.12798	0.5
177.16379	12.0
179.14275	0.6
179.17978	2.4
183.11705	0.7
185.11838	0.5
185.13249	2.7
187.14818	9.6
189.16377	12.1
191.14334	0.7
191.17949	5.8
193.15901	1.4
197.13269	1.0
199.14839	4.3
201.16376	19.6
203.17944	17.2
205.15868	6.5
205.19505	3.6
207.17363	2.8
211.14841	0.7
213.16393	4.2
215.17966	9.2
217.16084	2.9
217.19481	15.9
219.17505	3.4
219.21098	1.5
221.32053	0.5
225.16359	1.1
227.17903	6.4
229.19536	8.5
231.17401	1.9
231.21083	2.8
233.19052	1.4
235.20569	0.9
239.17993	1.4
241.19508	3.5
243.21046	4.4
245.19022	2.2
245.22757	0.7
247.20457	0.5
253.19521	1.3
255.21091	5.2
257.22617	4.1
259.20547	0.8
261.22195	0.7
267.21088	1.6
269.22687	4.3
271.24338	1.2
281.22684	1.3
283.24200	1.6
285.22107	0.9
285.25638	0.6
293.22952	0.5
295.24109	2.3
297.25717	3.0
309.25793	0.9
311.27362	1.3
313.25171	2.0
321.08072	0.5
323.27219	0.7
363.30219	0.9
365.32025	8.0
393.35184	1.5
405.35138	26.2
406.35614	0.6
423.36188	100.0
424.36627	2.7
441.37274	2.0
529.27759	0.5
549.39807	1.4
567.40259	1.5
581.29803	0.7
581.38330	6.9
599.39417	5.8
723.90466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.6
67.05501	58.0
69.03413	3.9
69.07071	14.0
71.04987	2.0
71.31947	3.1
73.02905	3.9
79.05488	42.7
81.03415	74.1
81.07050	56.5
83.04971	6.2
83.08617	20.1
85.02899	10.1
85.06539	2.2
91.03944	5.8
91.05473	35.4
93.06480	2.0
93.07044	37.8
95.04366	1.9
95.04967	30.9
95.08601	47.1
97.02868	6.6
97.06513	5.7
97.10168	6.7
99.04460	1.9
99.08105	2.0
105.07033	28.9
107.04944	6.2
107.08588	24.5
109.06522	3.3
109.09474	1.8
109.10158	20.9
111.04424	2.1
111.08076	5.3
117.07001	8.2
119.04910	1.4
119.08579	24.3
121.06497	4.2
121.10123	25.5
123.04423	1.9
123.08065	3.7
123.11686	6.8
125.09589	4.8
127.03902	3.8
129.07018	9.3
131.08583	19.5
133.06435	3.5
133.10123	15.8
135.08063	2.0
135.11705	15.2
137.09557	2.0
139.11148	2.4
141.07014	1.5
142.07755	2.3
143.08553	3.5
145.04945	2.0
145.10126	11.1
147.04417	2.3
147.08034	4.5
147.11673	16.0
149.09596	6.1
149.13231	6.8
155.08571	2.3
157.10136	11.3
159.11688	7.1
161.13268	5.9
163.06007	5.0
163.11130	2.6
163.14807	3.3
165.12698	2.2
169.10081	1.9
171.11684	4.5
173.13295	6.2
175.11165	7.4
175.14842	3.2
185.13182	2.0
187.14780	3.3
189.11200	5.1
191.14157	1.5
193.12241	22.7
195.11693	1.3
197.13216	1.4
201.16417	2.6
209.13321	1.9
227.12801	6.7
235.13330	1.8
241.14282	1.4
243.21056	6.1
247.16519	1.6
249.14825	3.2
259.13257	1.6
261.22162	24.1
267.15906	100.0
268.16199	2.5
273.14828	1.4
277.14230	1.6
279.23160	2.3
285.17062	2.3
289.21542	1.7
301.14270	3.0
301.22238	1.3
301.25293	7.0
309.16953	5.7
317.24698	5.0
319.15689	1.4
335.25781	91.5
336.26184	2.8
341.24698	1.5
359.25723	2.5
417.31720	1.6
421.25439	2.7
435.27377	3.2
435.32562	5.8
439.06863	1.4
453.33679	9.7
471.34659	6.1
509.36407	1.5
527.37323	73.9
528.38031	2.2
545.38348	64.9
546.38422	2.0
563.39447	5.7
569.38281	7.0
635.38861	3.9
653.39734	2.2
671.41577	3.9
846.80139	1.9
922.48309	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	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.5
67.05501	60.2
68.05833	0.5
69.03422	2.3
69.06719	0.8
69.07066	10.0
71.04989	17.3
71.83904	0.4
73.02896	2.3
73.06565	0.7
77.03891	0.5
79.05489	33.4
81.03432	2.1
81.07049	83.2
82.07364	1.0
82.58571	0.4
83.04983	3.6
83.08620	7.5
85.02898	9.1
85.06535	6.2
87.04467	0.7
91.03945	5.4
91.05473	26.2
93.07037	36.8
95.04959	4.2
95.08599	26.7
97.02889	4.6
97.06518	4.3
97.10162	2.5
99.04469	0.8
99.08083	1.2
105.04494	0.8
105.07025	16.1
107.08585	20.4
109.02842	0.6
109.06510	1.3
109.10144	12.1
111.08058	1.5
115.03920	0.5
117.07001	5.5
119.08570	7.9
121.06602	0.5
121.10136	15.6
123.08054	1.5
123.11699	11.8
125.09633	0.6
127.03912	2.2
129.07031	1.0
131.08556	7.1
133.10129	16.2
135.11671	9.7
137.09575	0.4
139.11226	0.5
143.08562	1.0
145.04933	2.1
145.10107	4.3
147.11652	3.9
149.13243	5.9
151.11176	6.4
153.12761	0.4
157.10133	1.1
159.11708	6.0
161.13249	2.8
163.06018	2.1
163.14803	1.0
165.12796	0.4
169.12318	1.1
171.11734	0.8
173.13280	3.2
175.14807	0.9
177.12703	1.9
179.14252	0.9
183.11681	0.6
183.13844	2.4
187.13307	3.3
187.14871	1.2
188.32748	0.5
195.13751	1.9
199.14822	0.5
201.14771	0.8
213.14857	0.7
227.16400	1.1
243.15945	1.4
243.21094	1.0
257.17487	1.3
259.20584	0.7
261.22177	2.1
269.17477	4.6
276.27060	0.4
283.19150	0.6
293.03046	0.5
301.20071	11.8
317.24768	1.2
335.25775	22.6
336.26083	0.7
411.32498	0.9
437.34589	0.5
445.24353	0.8
485.36417	2.8
503.37277	74.4
504.37784	3.4
511.37726	1.0
517.38824	3.9
529.38855	15.2
530.39417	0.9
547.39960	1.0
561.41461	100.0
562.41876	5.8
647.41425	0.7
673.42926	0.6
705.45392	1.6
790.34375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.5
67.05505	54.9
68.01720	0.6
68.05835	0.7
69.03426	3.0
69.07068	10.0
71.04992	19.6
71.18524	1.5
73.02912	2.6
77.03917	0.6
79.05493	30.4
81.03420	2.2
81.07057	83.0
83.04984	3.6
83.08620	7.7
85.02905	9.2
85.06548	6.7
87.04460	0.8
91.03958	7.0
91.04895	1.0
91.05479	28.8
93.07040	34.2
95.04961	5.2
95.08606	24.3
96.04510	0.7
97.02885	6.7
97.06547	4.5
97.10172	2.4
99.08099	1.3
105.07027	17.0
107.07864	1.2
107.08597	20.3
109.02922	0.6
109.06539	1.5
109.10157	10.9
111.08085	2.6
111.11720	0.8
113.05998	0.6
114.70480	0.6
117.07024	4.9
119.08569	9.3
121.10143	14.3
123.08131	0.9
123.11699	12.0
125.09648	1.1
127.03915	2.2
131.08580	7.9
133.10120	15.0
135.08144	0.7
135.11697	8.9
137.09641	0.8
137.13306	0.7
143.08549	1.2
145.04942	4.0
145.10130	5.5
147.11708	4.0
149.09692	0.8
149.13274	6.2
151.11179	5.4
151.71555	0.7
152.40276	0.7
153.12738	0.7
157.10181	0.8
159.11681	6.3
161.13275	3.0
163.06039	2.1
163.14854	0.9
169.12346	1.0
171.11729	1.0
173.11932	0.7
173.13203	3.1
175.14822	1.5
177.12778	2.0
179.14352	0.7
182.22481	0.6
183.13809	2.8
187.13303	3.4
187.14835	1.1
195.13860	1.8
199.14871	0.7
201.14789	0.6
213.14818	0.9
227.16327	3.6
243.15942	1.2
243.21236	1.0
253.18092	1.1
257.17511	2.7
259.20847	0.9
261.22223	2.5
269.17416	6.1
271.20633	0.8
287.23697	0.7
301.20093	21.8
317.24762	1.0
335.25769	18.2
336.26291	0.9
393.31595	1.2
411.32370	1.2
419.32809	0.6
437.34122	2.0
445.23947	1.1
455.35028	1.0
485.36142	4.7
503.37302	82.3
504.37698	4.3
511.37726	2.9
517.38995	4.9
529.38861	28.0
530.39636	1.7
543.40393	0.7
547.40161	1.4
561.41498	100.0
562.41614	5.6
647.41296	0.7
705.45618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	0.1
65.77873	0.1
68.99773	0.3
69.03422	0.9
69.24281	0.8
69.24709	0.5
71.01326	0.2
71.04987	8.9
73.02916	0.8
75.04424	0.5
81.03380	0.1
83.04969	2.0
85.02898	13.8
87.04421	0.3
91.03954	0.5
93.03368	0.2
93.56718	0.1
95.04913	0.3
97.02881	0.8
97.06465	0.2
98.21571	0.2
98.62053	0.1
99.04439	0.6
99.04934	0.1
101.05995	0.2
109.02846	0.4
111.00745	0.7
111.04443	1.4
113.05991	0.1
117.05453	0.3
121.02853	0.7
123.04374	0.3
127.03916	0.8
129.05469	3.6
135.04379	0.2
137.02324	2.3
137.03352	0.1
145.04883	0.2
147.06483	1.5
149.02293	0.3
153.00729	0.2
153.01819	2.2
153.05367	0.3
154.02098	0.1
157.04935	0.3
161.05891	0.3
163.03831	0.4
163.05989	0.5
165.00742	0.1
165.01822	1.4
166.02556	0.2
171.06488	0.2
173.05984	0.2
178.67734	0.1
183.02911	0.6
183.04250	0.2
187.03951	0.2
191.03252	0.2
195.02940	0.2
201.05426	0.9
201.07306	0.2
201.30806	0.1
205.04826	0.1
207.02863	0.2
213.07442	0.1
221.07953	0.1
225.39670	0.1
228.04208	0.2
228.26910	0.1
229.04945	2.5
239.09044	0.4
247.05956	0.6
257.04449	2.4
257.10095	0.2
274.04703	0.5
275.05399	0.2
275.11325	0.2
285.03885	0.9
287.05518	1.8
293.12207	0.2
299.05301	0.2
303.04959	100.0
304.05334	2.7
315.04916	0.9
341.06396	0.2
345.06015	1.4
369.06085	0.4
395.07834	0.2
413.08566	0.5
431.09674	0.5
447.09058	0.2
449.10782	1.7
465.10263	23.8
466.10510	1.3
611.15442	0.7
627.15326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2494
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03927	0.7
65.58036	0.1
68.99797	0.3
69.03425	0.6
70.05015	0.4
71.01347	0.1
71.04988	7.2
72.05333	0.1
73.02908	0.2
75.04459	0.3
80.56761	0.1
81.03420	1.1
83.04970	0.9
85.02898	15.4
86.03235	0.1
87.04465	0.1
91.05476	4.7
93.03397	0.2
95.04996	0.1
97.02276	0.2
97.02883	2.5
99.04458	0.3
107.04984	0.1
109.02857	1.2
111.00797	0.7
111.04436	0.6
119.04932	11.4
120.05287	0.3
121.02855	0.8
123.04421	0.3
125.67020	0.1
127.03912	1.6
129.05466	1.9
131.04933	0.1
135.04366	0.1
137.02328	2.6
137.03395	0.1
145.04915	0.9
145.06516	0.1
147.04398	47.8
148.04750	0.6
149.02391	0.5
153.01820	2.5
155.04837	0.1
161.06015	0.2
163.03978	0.6
165.01822	1.9
165.05461	2.2
166.02666	0.2
167.03369	0.1
171.02911	0.1
173.06017	0.3
177.05516	0.2
183.02887	0.8
183.04286	0.2
185.05806	0.1
187.03967	0.2
191.03372	0.1
191.06886	0.1
195.02859	0.2
201.05420	1.1
205.04913	0.2
213.05489	0.1
228.04251	0.2
229.04936	3.3
247.05962	0.7
257.04428	2.5
274.04755	0.7
275.05386	0.3
275.09167	0.2
285.03922	1.5
286.04529	0.1
287.05511	1.5
288.05798	0.2
291.08661	0.3
293.10175	0.3
302.04089	0.2
303.04962	100.0
304.05319	2.5
309.09671	2.7
310.10004	0.1
315.04916	0.4
317.06546	0.4
318.07095	0.1
339.05191	0.1
345.06027	0.4
369.06195	0.2
411.07352	0.2
413.08566	0.1
429.07797	0.2
431.09744	0.2
449.10574	0.5
450.11801	0.1
454.07504	0.1
455.15472	0.7
465.10266	18.4
466.10614	0.6
611.14209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.249
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03928	0.8
67.05483	0.1
68.11570	0.1
68.99489	0.1
68.99813	0.2
69.03411	0.3
70.04140	0.4
71.04986	5.5
75.04470	0.3
81.03401	0.4
83.04983	0.4
85.02895	6.9
87.04465	0.2
91.05470	5.1
93.03405	0.2
95.04949	0.3
97.02887	0.6
99.04423	0.1
105.27948	0.1
107.04935	0.2
109.02859	0.5
111.00799	0.7
111.04416	0.4
119.04928	12.8
120.05238	0.1
121.02857	0.7
123.04415	0.3
127.03899	0.6
127.05503	0.1
129.05460	1.7
131.04948	0.1
135.04445	0.2
137.02322	2.5
137.03383	0.2
145.04863	0.1
145.06499	0.1
147.04391	54.9
148.04720	0.7
149.02353	0.3
153.01808	2.4
155.04906	0.1
157.06528	0.1
159.08046	0.1
161.05991	0.2
163.03877	0.5
165.01820	1.7
165.05453	2.3
166.02602	0.1
173.04568	0.1
173.06015	0.3
177.05475	0.1
179.03381	0.2
183.02869	0.7
183.04356	0.2
185.05934	0.1
187.03860	0.1
187.07521	0.2
191.03413	0.1
195.02870	0.2
201.05452	1.1
203.07014	0.1
205.04939	0.1
213.05489	0.1
215.03369	0.1
219.03008	0.2
219.06564	0.2
229.04941	3.2
231.06496	0.4
247.06029	0.7
257.04419	2.3
258.04846	0.1
273.07593	0.3
274.04785	0.6
275.05356	0.2
275.09076	0.2
280.70810	0.1
285.03937	1.2
286.04654	0.1
287.05530	0.8
291.08563	1.2
293.10205	0.3
302.04172	0.2
303.04947	100.0
304.05298	2.5
309.09665	2.1
315.04984	0.1
327.04907	0.1
345.05887	0.5
355.75253	0.1
369.06253	0.1
413.08432	0.1
449.10474	0.3
465.10248	16.7
466.10464	0.7
611.14752	0.1
672.61792	0.1
755.17682	0.3
912.99030	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	917.2699
Annotation	Rhamnetin 3-(3''''-p-coumaryl-rhamnosyl)(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
65.03934	0.8
66.65305	0.2
69.03414	0.8
71.01352	0.4
71.04990	10.8
73.02904	0.8
75.04471	0.5
75.61086	0.2
81.03445	0.5
83.04980	2.8
85.02902	12.4
87.04456	0.3
89.02332	0.2
91.04898	0.4
91.05476	6.0
91.44453	0.2
92.02642	0.6
93.03426	0.6
95.04961	0.6
97.02876	0.4
99.04432	0.5
104.11750	0.2
107.04952	0.4
109.02879	0.3
111.04439	2.3
117.05521	0.4
118.63971	0.2
119.04936	15.0
121.02893	0.6
121.06536	0.2
126.03114	0.3
127.03890	0.6
129.05472	3.9
133.02779	0.2
137.06007	0.3
139.03877	0.7
145.02829	0.3
147.04404	58.8
148.04720	0.7
149.05971	0.3
151.03894	1.0
151.07536	0.3
153.01820	4.8
153.05484	0.9
157.04930	0.3
161.06079	0.2
163.03838	0.4
163.06021	0.3
165.01804	0.7
165.05489	0.9
167.06979	0.3
171.06480	0.5
177.05447	1.1
201.05475	0.9
201.07442	0.4
213.07585	0.3
217.05011	0.4
218.05618	0.4
228.04189	1.1
229.04996	2.2
229.68951	0.4
231.02878	0.3
231.06552	0.4
239.09111	0.8
245.04510	0.9
246.05214	1.9
257.04449	2.1
260.02927	0.2
273.03915	1.4
273.07346	0.5
274.04700	3.5
275.09103	0.7
275.11630	0.3
284.02902	0.3
285.03903	3.5
287.05594	1.3
291.08621	1.5
293.10080	0.9
302.04190	10.9
309.09729	1.4
317.06543	100.0
318.06845	2.4
359.07571	0.8
383.07169	0.3
414.22003	0.3
427.10223	0.4
607.14197	0.4
625.14960	0.3
826.62531	0.3
828.90424	0.3
834.58276	0.3
864.54932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76699	0.2
67.05500	0.3
68.99795	0.3
69.03415	0.9
71.01337	0.3
71.04595	0.4
71.04987	8.2
71.94542	0.2
73.02905	0.6
75.04453	0.5
79.90999	0.2
81.03393	0.4
83.04982	2.7
85.02898	10.2
87.04460	0.3
89.03906	3.2
91.05463	0.4
92.59460	0.2
95.04975	0.8
96.27852	0.2
97.02866	0.5
99.04459	0.5
103.05459	0.3
105.03402	0.3
107.04961	0.4
109.02846	0.4
111.00765	0.5
111.04430	1.9
113.06016	0.2
117.03368	9.6
117.05488	0.5
119.04967	0.3
121.02843	2.1
121.06400	0.2
123.04437	0.2
124.05220	0.2
127.03896	0.7
129.04524	0.3
129.05466	3.0
129.06964	0.2
133.02832	0.6
134.03615	0.7
135.04425	0.9
137.02361	0.4
137.06003	0.5
145.02832	25.9
146.03181	0.3
147.04413	1.0
147.06551	0.9
149.05968	4.2
153.01833	3.0
153.05429	0.8
157.05049	0.2
157.06424	0.4
158.05984	0.2
163.03862	0.5
163.05995	0.3
165.01782	1.5
167.07031	0.2
171.06531	0.4
175.04106	0.2
177.05453	47.8
178.05783	0.7
183.02899	0.7
185.05951	0.5
186.05504	0.6
187.07469	0.2
195.06506	0.5
201.05441	0.2
203.03380	0.2
203.07028	0.3
205.04935	0.3
209.25185	0.2
213.05469	1.1
213.07253	0.2
229.26007	0.3
231.06566	0.8
233.08098	0.4
239.09177	0.7
241.04967	0.8
243.06529	0.3
257.10223	0.2
257.16287	0.2
258.05154	0.9
259.05975	0.3
259.09628	0.2
261.07507	0.9
269.04218	0.2
275.11215	0.3
287.05472	100.0
288.05777	1.8
299.05597	0.3
303.08533	0.4
305.10248	0.7
317.06467	0.5
321.09708	1.4
323.11368	0.5
329.06512	0.6
339.10724	2.6
342.71747	0.2
433.11258	0.4
439.05954	0.2
607.14423	0.3
625.15167	0.3
667.97760	0.2
863.49701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.2
68.99786	0.6
69.03423	0.8
71.01349	0.3
71.04987	9.9
73.02921	0.9
75.04470	0.5
79.05479	0.3
81.03397	0.5
83.04979	3.5
85.02898	12.7
87.04472	0.4
89.03909	2.8
91.05467	0.5
93.07064	0.1
95.04942	0.6
97.02892	0.7
97.06527	0.1
99.04463	0.6
103.05442	0.6
105.03378	0.3
107.04948	0.5
109.02882	0.7
111.00813	0.6
111.04439	2.1
113.05991	0.2
117.03371	8.9
117.05499	0.3
119.04925	0.9
121.02858	2.5
121.06537	0.2
121.44586	0.1
124.05225	0.2
127.03902	0.5
129.04494	0.2
129.05464	3.5
131.04890	1.1
133.02831	0.5
133.21002	0.1
134.03625	0.5
135.04393	1.0
137.02330	0.7
137.05998	0.3
139.03809	0.2
145.02834	24.2
146.03198	0.3
147.03217	0.2
147.04396	4.5
147.06367	0.8
149.05971	3.6
151.03867	0.2
153.01820	4.1
153.05435	0.8
153.06555	0.1
157.05038	0.2
157.06430	0.3
161.05956	0.2
162.03120	0.2
163.03894	0.4
163.06013	0.4
165.01802	1.8
165.05435	0.3
169.06474	0.1
171.04402	0.2
171.06476	0.2
175.07506	0.2
177.05455	46.1
178.05814	0.6
183.02870	0.8
185.05965	0.4
186.05486	0.7
189.05432	0.4
193.08549	0.1
195.06500	1.8
197.06049	0.2
199.07730	0.1
203.07057	0.3
205.04971	0.2
207.06337	0.1
209.45277	0.1
213.05457	1.5
220.39961	0.1
229.04948	0.4
231.06509	0.8
233.07996	0.2
239.09143	0.8
241.04842	0.9
243.06558	0.4
257.04440	0.3
257.10205	0.3
258.05203	1.1
259.05905	0.4
261.07532	0.5
269.04532	0.3
270.05035	0.1
274.04626	0.3
275.11276	0.4
285.03894	0.3
286.04706	0.1
287.05472	100.0
288.05801	2.3
291.08353	0.1
299.05508	0.4
302.04221	1.0
303.08493	0.4
305.10162	0.5
317.06540	8.4
321.09747	1.3
323.11093	0.8
329.06494	0.9
339.10739	3.0
353.06421	0.2
397.09052	0.3
415.10245	0.2
433.11075	0.5
479.11594	0.5
485.16348	0.2
502.89880	0.2
607.14484	0.6
625.15594	0.2
753.19080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.27
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.2
68.42517	0.1
68.99796	0.3
69.03416	1.2
69.94868	0.6
71.01357	0.4
71.04987	10.8
73.02908	0.8
75.04478	0.7
78.04694	0.2
79.05495	0.3
79.08228	0.2
81.03419	1.0
83.04972	3.6
85.02899	20.0
86.03261	0.2
87.04484	0.2
89.03911	2.0
91.05444	0.2
92.04818	0.2
95.04977	0.7
95.60744	0.1
97.02880	1.6
97.06565	0.2
99.04444	0.7
103.21565	0.2
105.03368	0.3
107.04958	0.4
109.02872	1.7
109.22957	0.1
111.00822	0.8
111.04442	2.6
112.69137	0.1
113.02384	0.2
113.05997	0.4
117.03373	7.0
117.05489	0.4
119.04968	0.2
121.02866	2.2
121.06487	0.3
123.04337	0.2
127.03901	1.8
129.05464	4.0
129.06380	0.3
133.02838	0.5
134.03596	0.5
135.04401	0.8
137.02333	0.7
137.06024	0.4
145.02837	18.5
145.04919	0.9
146.03201	0.2
147.04446	0.8
147.06512	1.1
149.05968	2.7
151.03876	0.2
153.01823	3.3
153.05490	0.9
157.06462	0.3
161.05962	0.2
163.03941	0.4
163.05997	0.3
165.01828	1.7
171.06522	0.4
175.07574	0.2
177.05457	39.8
178.05832	0.6
179.07095	0.2
183.02827	0.8
185.05952	0.4
186.05527	0.3
195.06500	1.9
201.07616	0.3
213.05499	1.3
221.08165	0.2
229.04817	0.2
231.06511	0.5
239.09235	1.0
241.05005	0.9
257.10202	0.5
258.05316	1.1
259.06149	0.4
269.04282	0.2
275.11243	0.5
286.04590	0.2
287.05472	100.0
288.05786	2.1
293.12390	0.3
299.05618	1.0
305.10101	0.3
317.06470	0.3
321.09839	0.2
323.11261	0.6
325.03525	0.2
325.07019	0.2
329.06500	0.7
339.04596	0.2
339.10733	2.6
353.06299	0.4
365.06528	0.2
379.07672	0.2
395.07498	0.2
397.09149	0.5
413.08551	0.2
433.10938	0.5
485.16278	0.3
625.15436	1.5
887.99823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71036	3.8
69.71461	5.5
84.96023	7.9
89.03867	1.7
96.84685	1.3
98.21503	1.7
98.97572	27.1
102.97015	1.6
110.97549	3.3
116.98615	33.1
119.04964	3.3
120.98067	1.4
124.99209	1.8
128.98605	14.4
134.99641	18.2
140.98604	2.5
143.00169	10.5
144.98058	1.7
145.01738	1.5
145.02809	3.3
146.99646	20.1
147.04398	9.1
152.98636	1.8
153.00662	1.6
158.01212	1.9
158.99652	20.0
161.01218	33.0
162.99139	3.1
165.00636	3.0
170.01167	1.7
170.99643	14.7
174.99138	2.2
177.00714	26.1
177.05458	5.9
179.02258	8.1
182.99623	5.4
184.02829	3.0
185.01250	2.1
186.99132	6.8
189.00713	29.7
195.01776	4.2
201.00690	43.2
203.02260	5.5
205.00182	18.4
207.01674	3.3
210.99258	1.6
212.02312	2.1
213.00691	5.0
219.01765	42.9
223.01175	9.5
224.02283	2.4
227.02219	2.9
229.00195	4.2
230.98235	1.7
231.01762	4.8
237.02812	24.8
242.03470	1.8
243.01740	14.1
247.01212	5.0
248.99149	4.5
255.03770	2.7
261.02817	57.4
265.02252	3.0
267.00177	9.3
272.99332	1.9
273.02811	4.3
279.03867	42.3
284.04587	1.6
287.04330	2.1
291.00177	12.1
291.03790	10.6
297.04651	2.0
302.05475	3.5
309.01288	8.7
309.04666	2.6
313.02243	1.7
321.01501	2.6
321.04898	20.3
326.53281	1.4
331.03406	2.2
333.04886	4.0
351.06058	7.2
375.02167	3.3
381.07220	7.5
393.03409	8.8
396.96921	1.4
399.08105	11.9
411.04480	8.8
422.09494	2.1
441.09076	15.9
469.08307	3.8
493.08923	6.7
511.10034	8.3
529.10620	3.5
537.07672	6.3
555.00800	2.0
555.08636	26.4
573.09717	100.0
574.09839	2.9
802.16718	1.6
807.74554	1.8
825.41254	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	914.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
67.05171	0.4
67.05498	12.0
69.03425	17.7
69.07059	11.7
69.07414	1.1
69.51900	3.3
69.52318	1.7
71.01352	3.6
71.04985	52.9
71.08629	1.0
73.02914	17.6
75.04462	5.2
79.05038	1.0
79.05482	7.0
81.03417	2.3
81.07049	33.5
83.04971	19.3
83.08614	7.2
84.48772	0.6
85.02896	100.0
85.06483	0.8
85.15440	0.6
87.04459	2.4
91.05442	4.4
93.07036	17.3
95.01315	4.9
95.04968	3.9
95.05502	0.6
95.08597	63.5
96.08932	1.2
97.02884	33.1
97.06501	0.8
97.10172	3.6
99.00805	1.3
99.04459	5.3
101.02371	0.8
101.06002	1.6
103.03951	3.5
105.07021	11.8
107.04991	0.9
107.08580	28.3
109.02869	1.8
109.06561	1.0
109.10143	35.1
111.04431	21.0
111.11727	2.4
113.02355	3.5
113.05964	1.5
115.03923	23.7
117.05496	1.4
117.07008	1.7
119.07909	0.4
119.08565	17.6
121.10128	30.1
123.04414	1.1
123.08018	0.9
123.11698	19.6
125.09635	1.1
127.03934	2.8
129.05469	37.1
131.03368	1.0
131.08560	6.3
133.04945	7.0
133.10118	17.0
135.04410	1.4
135.11681	21.7
137.05962	1.5
137.13239	21.9
139.03896	5.2
139.11183	2.1
141.01819	29.1
143.03490	0.9
143.08537	1.4
145.04993	1.8
145.10107	7.7
146.08096	1.0
147.06505	22.4
147.11665	11.6
149.04376	0.7
149.13249	22.1
151.03923	1.1
151.11131	0.7
151.14845	2.1
153.05469	2.0
157.04985	2.6
157.10133	1.4
159.02876	11.0
159.11661	9.3
159.12891	1.0
160.12173	0.6
161.13243	13.5
163.05981	0.7
163.11174	1.3
163.14824	10.2
164.09171	3.3
165.05426	1.2
165.07582	1.8
165.12784	1.3
169.05005	1.7
171.06544	2.4
171.11641	1.1
173.13232	8.6
173.14478	0.8
175.14813	10.6
177.03966	2.1
177.12859	1.1
177.16371	21.0
177.22548	0.6
179.07059	0.8
179.17952	2.1
180.73328	0.6
181.04854	0.9
183.06529	0.9
185.13252	1.3
187.06059	0.6
187.14799	6.4
189.07639	0.7
189.16356	12.2
191.14288	1.2
191.17914	17.1
191.19582	1.1
193.15901	1.3
193.19583	0.7
195.06560	0.8
199.06030	1.1
199.14796	1.3
201.16388	7.4
203.17960	14.3
205.15887	2.4
205.19493	20.9
207.06436	0.6
207.17392	3.3
213.07503	0.9
213.16374	2.0
215.17957	10.7
217.07047	4.4
217.19478	14.2
219.05055	2.5
219.17438	5.3
219.21042	2.8
221.19054	2.7
225.07556	14.7
227.17944	1.9
229.19492	13.1
231.08694	1.5
231.21008	5.3
233.19014	9.0
235.20479	1.4
241.19554	1.2
243.05003	0.7
243.08627	13.4
243.21123	2.7
245.22636	3.0
247.20561	5.9
255.04906	3.1
255.21120	2.1
257.22571	6.1
259.20544	1.0
261.09662	5.0
261.22214	0.9
269.06601	1.6
269.22650	4.6
271.24271	1.4
273.05972	6.7
273.22241	1.2
275.23627	4.4
279.10730	21.6
283.24146	2.1
287.07474	4.3
287.23706	2.3
291.07101	3.7
296.13257	1.1
297.25797	1.7
301.25302	2.1
305.08649	9.3
305.11942	0.8
309.08023	3.5
311.27728	0.8
313.28885	1.4
323.09723	2.9
343.30600	0.6
353.32098	2.3
367.33643	0.9
401.10876	2.0
407.36691	29.0
408.37054	0.9
423.92474	0.7
425.37735	78.7
426.38229	2.2
473.80780	0.6
617.36774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.8
67.05496	28.6
69.07067	5.9
70.64958	1.8
70.65295	2.5
71.04958	1.4
79.05483	22.6
81.03405	3.9
81.06591	1.9
81.07047	29.1
83.04977	2.2
83.08598	4.4
85.02892	3.4
91.05473	14.9
93.07034	22.1
95.01312	17.9
95.04950	5.6
95.08605	18.9
97.02875	2.1
97.06514	2.1
97.10156	2.2
105.07033	11.3
107.04945	2.6
107.08582	13.5
109.02841	2.3
109.06537	1.5
109.10140	9.9
111.00780	2.4
111.08052	1.5
112.11959	1.3
117.07045	5.7
119.04913	1.2
119.08566	7.7
121.02868	2.0
121.06482	1.3
121.10133	11.9
123.04433	1.3
123.08041	2.0
123.11660	3.6
125.02346	1.7
125.09628	1.6
127.44196	1.0
128.06180	1.6
129.06981	3.5
131.08548	8.6
133.06442	1.5
133.10124	6.3
135.04381	2.3
135.08022	4.0
135.11667	6.8
137.02351	5.2
141.01825	6.2
141.06966	2.0
143.08588	2.8
145.06401	1.9
145.10117	7.4
147.04355	2.8
147.11652	2.2
149.02353	2.9
149.09605	4.1
149.13214	2.1
151.03864	2.5
151.11166	1.5
155.03352	1.3
155.08562	2.1
159.11636	3.2
159.12852	1.1
161.09612	4.0
161.13243	2.5
163.03821	1.3
163.11160	2.9
163.14818	1.6
165.01825	11.8
165.05391	1.3
167.03412	3.9
167.08549	2.0
169.06548	1.3
171.07965	1.5
172.55238	1.2
173.05920	1.4
173.09599	2.5
173.13200	1.3
175.03899	1.5
175.14714	1.6
177.05389	1.6
179.10706	1.3
183.08015	1.2
183.11595	1.5
185.09540	1.6
187.03836	2.3
187.07439	1.3
189.09181	5.5
191.03308	3.0
191.10638	7.5
193.01285	2.5
197.09529	1.1
199.07503	1.8
201.12799	1.8
205.04886	3.2
207.10161	3.5
209.09702	2.0
209.11604	1.6
211.07547	2.1
211.11148	1.4
217.08606	3.0
221.09554	1.2
223.07420	1.5
225.09117	1.7
227.10660	2.2
229.12318	2.8
235.09624	3.9
237.09062	2.2
239.07002	1.4
239.10699	2.5
241.08469	2.2
241.12303	2.5
243.21007	2.6
249.03906	3.0
253.10677	3.0
255.10109	1.7
257.11728	1.9
259.13297	10.9
261.22061	8.0
265.08582	2.8
273.11148	1.5
275.12766	1.5
283.09534	3.5
285.11316	5.2
301.10599	10.2
303.12173	6.1
311.09033	4.9
313.27142	1.3
317.24765	2.4
319.11835	8.8
321.13239	6.9
329.10144	5.3
335.25766	100.0
336.26108	2.8
337.12848	11.2
347.11169	7.3
365.12274	14.7
383.13290	9.6
457.16977	71.6
543.39899	1.1
592.66479	1.2
717.38336	57.4
718.38867	2.1
752.47809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.6
67.05502	41.3
69.03443	1.6
69.07072	10.2
79.05057	2.6
79.05489	28.6
81.03412	4.3
81.07049	42.9
82.18589	1.4
83.04994	1.6
83.08615	7.4
85.06555	2.4
91.05482	23.1
93.07041	38.3
93.31365	1.3
95.01324	23.9
95.04948	6.7
95.08599	30.6
95.09167	2.8
97.02876	2.1
97.06534	1.9
97.10166	3.3
98.21494	4.2
99.08092	1.7
105.07029	13.7
107.04954	3.4
107.08589	18.4
109.02881	2.4
109.06534	1.9
109.10130	12.5
111.00771	2.0
111.08058	1.6
115.05416	1.6
117.06992	7.4
119.04995	2.1
119.08560	12.0
121.02837	2.3
121.06480	3.0
121.10120	15.4
123.04415	3.5
123.08065	2.9
123.11678	3.9
125.02349	2.1
125.09618	2.7
128.06248	1.6
129.06978	3.9
131.04884	1.9
131.08559	9.2
133.06482	3.0
133.10123	7.6
135.04445	1.7
135.08034	1.9
135.11739	8.5
137.02321	7.0
137.13420	1.4
139.03940	2.4
139.61375	1.3
141.01830	8.1
141.06969	3.4
143.08548	4.9
145.06450	2.6
145.10127	8.3
147.04388	3.3
147.08032	2.3
147.11714	4.3
149.02339	5.6
149.09619	3.5
149.13243	3.3
151.03894	5.5
151.11197	1.4
154.07700	2.0
155.08566	1.8
157.06425	1.6
159.08096	1.9
159.11748	4.1
161.05995	3.0
161.09628	5.2
161.13293	2.7
163.03963	1.5
163.11214	4.0
165.01833	17.7
165.03125	2.0
166.07771	1.7
167.03510	3.1
169.10007	1.7
171.08029	3.2
171.11642	1.8
173.05991	2.6
173.09665	2.0
173.13206	3.0
175.03923	2.1
177.01711	1.7
177.05396	1.9
179.10696	2.4
181.10222	1.7
185.09653	3.1
187.03944	1.5
187.14870	2.2
189.09119	3.3
191.03397	5.0
191.10638	5.5
193.01340	3.1
195.08049	1.6
197.09784	1.7
199.07565	2.8
199.11156	2.1
201.09074	2.0
201.12715	2.3
205.04990	4.3
207.10214	3.9
209.09659	2.0
211.07443	2.1
211.11191	2.5
213.09103	2.2
217.08617	2.3
223.07497	2.7
227.10635	1.9
229.08774	1.6
229.12234	3.9
235.09660	5.2
237.09090	2.5
239.07033	3.9
239.10698	2.6
241.08589	2.2
243.21098	5.1
249.03932	3.2
253.10692	3.3
255.10170	2.6
257.08084	1.7
257.11819	2.5
259.13239	12.9
261.22092	16.5
265.08682	3.8
283.09720	2.7
285.11234	5.5
293.08096	1.6
301.10681	9.5
303.12286	3.2
311.09006	4.8
313.27380	2.0
317.24469	3.1
319.11713	9.0
321.13248	8.7
329.10178	6.0
335.25778	100.0
336.26102	3.0
337.12842	9.4
347.11359	7.6
353.26749	1.4
365.12314	12.9
383.13480	7.4
457.17029	72.1
458.17371	2.9
572.95880	1.7
717.38403	66.0
718.38104	3.9
853.55054	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	914.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.7
67.05506	28.7
69.03429	1.7
69.07066	5.9
79.05490	24.0
81.03413	4.1
81.07052	30.1
83.04969	2.4
83.08617	3.1
84.04529	1.1
85.02906	1.4
89.32538	0.9
91.05479	15.0
93.06471	1.8
93.07043	26.3
95.01323	15.5
95.04955	5.6
95.08603	22.3
97.02921	1.1
97.06520	1.5
97.10155	2.0
98.20739	2.7
105.07027	10.7
106.18974	1.0
107.04950	3.2
107.08603	15.4
109.02887	1.5
109.10147	8.2
111.00774	1.5
111.04441	1.1
111.08093	1.2
117.07030	6.3
119.08552	5.3
121.06533	1.7
121.10134	10.8
123.04415	1.6
123.08088	1.5
123.11684	3.0
125.02340	1.5
125.09641	1.7
128.06294	1.4
129.07005	2.4
131.04951	2.0
131.08575	8.1
133.10106	5.1
135.08031	1.7
135.11696	5.2
137.02335	2.9
141.01796	3.6
141.06921	1.0
143.08572	2.3
145.06429	1.3
145.10136	4.1
147.04460	1.7
147.11656	1.9
149.02342	2.6
149.09650	3.7
149.13210	2.6
151.03877	3.1
153.64108	1.0
159.11707	2.2
161.05969	2.0
161.09605	4.0
163.03972	1.2
163.11203	2.8
165.01823	8.5
167.03409	2.4
171.08044	2.0
173.05977	2.1
173.09657	1.6
173.13277	2.0
175.03845	1.4
177.16345	1.0
178.66248	1.1
181.10179	1.4
183.08041	1.8
185.09619	1.4
187.03886	1.5
187.14819	1.0
189.09122	2.8
191.03352	2.2
191.10689	4.2
193.01308	2.0
193.05009	1.0
195.08049	1.6
199.07507	2.7
201.09055	1.6
201.12788	1.6
205.04970	3.4
207.10172	3.7
213.09135	1.8
215.10663	1.1
217.08629	2.0
223.07654	1.1
227.10641	2.2
229.12303	2.8
235.09584	2.7
237.09200	1.5
239.07027	1.6
239.10677	1.7
243.21294	1.1
245.11790	1.4
253.10754	1.8
255.10207	1.7
257.11829	1.9
259.13153	5.2
261.22064	6.2
265.08658	2.1
272.20175	2.8
273.11221	1.7
283.09866	1.9
285.11246	3.5
293.08078	1.1
301.10617	5.1
303.12244	3.4
311.09128	4.4
313.27390	1.4
317.24631	2.4
319.11600	6.1
321.13358	3.4
329.10132	4.4
335.25778	100.0
336.26126	3.3
337.12756	6.5
347.11362	5.5
365.12329	9.5
383.13391	7.7
457.17050	43.5
458.16580	1.9
717.38434	45.0
718.38031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.515
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37125	1.9
65.68530	1.8
67.05503	16.7
69.03429	25.0
69.07046	8.0
71.01345	7.6
71.04990	30.3
71.57093	2.4
73.02919	20.2
74.03100	1.9
74.82254	1.9
75.04469	7.9
75.82220	2.1
78.00089	2.0
79.05477	9.5
81.03402	3.7
81.07050	30.8
82.53703	2.0
83.04980	42.3
83.08593	5.1
85.02901	100.0
87.04467	3.7
91.05469	10.8
93.07043	20.9
95.01320	23.4
95.04927	3.9
95.08602	56.7
97.02287	2.8
97.02885	36.9
99.04441	2.6
105.07024	23.5
107.08580	36.5
109.02863	3.7
109.10149	45.0
111.03712	3.0
111.04435	40.5
111.08084	11.9
113.02349	8.8
113.05980	2.8
115.03921	20.5
119.08573	33.3
121.10127	26.7
123.11692	18.8
125.09644	2.1
127.03893	5.2
129.05493	31.6
131.03381	2.7
131.08533	9.8
133.04971	7.1
133.10135	27.5
135.11674	21.3
137.02281	2.0
137.13274	4.9
139.03900	3.6
139.11148	6.9
141.01814	66.0
145.10088	13.5
147.06531	13.3
147.07533	2.2
147.11674	22.4
149.13254	19.7
151.11162	2.6
157.04977	4.3
157.10147	2.4
159.02911	14.7
159.06552	2.5
159.11693	13.5
161.13255	18.7
163.14786	18.4
165.12775	3.3
171.06480	3.3
171.11630	3.7
173.13289	13.8
173.14626	2.2
175.14851	20.6
177.03899	2.7
177.16357	16.5
179.17924	2.0
181.04990	2.2
185.13289	5.3
187.14813	13.1
188.09108	2.7
189.16354	16.5
191.17851	10.3
193.15840	5.8
195.17407	4.9
199.14845	4.0
201.16360	17.2
203.17953	34.1
205.15916	4.3
207.17421	10.7
213.03929	3.1
215.17952	16.2
217.15926	3.3
217.19565	14.0
219.17413	8.2
221.18999	7.1
225.07584	19.0
227.17931	5.4
229.19545	14.7
231.08670	2.7
231.21060	3.7
233.18889	5.6
241.19267	2.0
243.08644	8.3
243.21147	7.9
245.19049	2.5
247.20602	16.2
255.21146	4.1
257.22681	6.2
259.08218	2.5
261.09686	2.6
261.22235	3.2
269.06564	3.2
269.22574	5.0
273.05988	3.2
273.21954	2.7
275.23749	2.8
279.10736	11.7
283.24274	3.1
287.07593	6.1
287.23682	3.3
291.07077	3.1
297.54276	2.1
305.08597	17.2
315.26648	2.9
323.09662	5.5
337.21207	1.9
351.30444	2.1
360.04974	2.5
365.32239	2.4
383.33099	4.5
405.35162	12.4
411.36099	3.3
419.25046	2.6
423.36191	83.5
424.36545	2.2
437.34155	5.2
441.37274	98.5
442.37521	3.5
455.35107	2.9
581.37946	6.5
599.39325	14.3
913.45459	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	912.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	9.3
69.03078	1.7
69.03423	19.4
69.07060	8.7
71.01350	4.4
71.04989	57.4
71.08612	0.8
71.09518	2.1
73.02908	17.4
75.04465	5.5
79.05502	5.8
81.03417	1.8
81.07054	25.3
83.04977	22.8
83.08603	4.2
85.02899	100.0
87.04467	2.9
89.07951	0.8
90.32082	0.8
91.05463	3.7
93.07041	10.9
95.01307	5.5
95.04955	3.5
95.08600	46.7
97.02886	33.3
97.03521	1.9
97.06512	4.3
97.10191	1.9
99.00801	1.0
99.04449	5.1
101.02396	1.1
101.06026	1.2
103.03945	2.8
105.07019	8.3
107.04957	1.6
107.08582	15.2
109.02849	2.4
109.06492	1.1
109.10145	13.7
111.04430	25.6
113.02353	3.2
113.06004	1.3
115.03920	25.3
117.05492	1.8
117.07000	1.8
119.08570	14.1
121.10133	17.0
122.58395	0.9
123.00803	1.0
123.04411	1.3
123.11703	8.2
125.09620	2.8
127.03907	3.8
129.05473	39.7
131.08569	4.4
133.04947	9.3
133.10130	10.2
135.04463	1.2
135.11678	8.5
137.09593	1.1
137.13242	22.6
139.03882	4.0
139.11162	6.8
141.01814	26.1
143.03362	1.0
143.08545	2.6
145.04961	1.9
145.10115	8.8
146.08109	1.3
147.06505	20.4
147.07700	1.2
147.11678	6.3
149.04465	1.1
149.13245	14.2
150.07652	1.2
151.14830	1.2
153.05473	1.2
157.05019	1.9
157.10106	2.7
159.02898	7.5
159.11687	9.2
161.13214	8.3
163.05972	1.2
163.11134	3.2
163.14806	3.5
164.09216	2.4
165.07561	1.8
167.14227	1.0
169.04918	1.3
169.10175	1.6
171.06499	2.5
171.11650	2.7
173.13281	5.2
175.05917	1.0
175.14809	8.8
177.03918	1.6
177.12749	2.1
177.16376	12.0
181.04958	1.3
183.06537	1.7
185.13246	2.6
187.05914	1.4
187.14816	5.4
189.16388	4.6
191.17917	8.0
195.06581	1.3
197.13379	1.1
199.14813	2.8
199.95079	1.0
201.16371	6.9
201.90218	1.0
203.17957	6.5
205.15866	2.4
205.19531	3.1
211.14705	1.4
213.16408	3.3
215.17937	10.1
217.07034	4.1
217.15817	3.0
217.19490	3.5
219.05014	2.8
219.17432	7.6
219.21022	1.6
225.07562	13.7
227.17934	5.3
229.19478	1.9
231.08725	1.6
231.17430	2.0
231.21049	1.9
233.19008	2.0
239.17836	1.1
241.19434	1.7
243.08656	11.2
243.21040	1.3
245.19017	12.9
245.22638	1.5
253.19568	1.3
255.20979	2.2
257.18976	1.4
257.22733	1.0
259.20547	2.0
261.09680	5.6
267.21097	1.6
269.06473	1.9
269.22623	1.5
271.20535	2.0
271.24185	1.7
273.05963	6.2
273.22107	5.5
279.10748	19.7
281.22610	1.0
285.22128	2.6
287.07596	5.6
291.07135	2.5
295.24240	1.2
299.23633	2.9
305.08652	7.7
309.08044	3.0
323.09668	2.5
341.10419	0.9
355.46143	1.0
401.10690	2.0
405.35172	11.3
423.36185	92.1
424.36575	3.1
441.37234	7.5
594.28516	1.1
617.40686	1.2
714.54797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.4
67.05508	3.0
69.03428	2.5
69.07068	0.8
70.06618	0.4
71.05025	0.4
73.02910	3.4
75.96716	0.3
79.05497	2.4
81.03441	1.7
81.07059	4.7
83.04954	0.4
83.08624	1.1
85.02908	6.1
91.03960	4.1
91.05498	1.4
93.07066	2.4
95.04913	0.5
95.08596	2.0
97.02885	6.5
97.06565	0.4
99.04463	0.7
99.08112	0.5
103.03979	0.7
105.07018	1.9
107.08575	1.8
109.02875	0.8
109.10166	0.9
113.05206	0.3
115.03947	0.8
117.99040	0.4
119.08598	1.4
121.10107	1.7
123.11716	1.0
127.03930	2.1
131.08569	0.6
133.10173	0.6
135.11713	0.4
147.11682	2.7
149.13185	0.3
165.12805	1.3
183.06612	0.4
185.04233	1.0
187.04655	0.4
203.05347	1.3
234.93767	0.3
243.08481	1.5
251.12744	0.6
259.07932	0.5
269.12369	1.8
271.98279	0.4
287.13364	0.5
305.08502	0.6
307.15155	1.0
325.15207	0.4
335.25995	0.6
347.09494	3.2
363.08957	0.4
365.10577	2.0
371.34079	0.3
405.13629	4.2
425.21353	0.7
450.70673	0.4
469.20425	10.5
502.09354	0.4
502.71152	0.4
519.29230	3.3
631.25458	9.0
681.34485	3.7
681.43341	0.4
747.42865	2.1
747.54395	0.4
832.78094	0.5
909.48126	100.0
910.48364	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	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.4
69.03430	3.7
69.07066	0.6
70.06593	0.3
70.83694	0.8
71.01360	0.6
71.04985	0.7
73.02919	3.6
74.72693	0.3
75.14967	0.3
79.05481	1.9
81.03429	1.7
81.07058	3.6
83.08627	0.7
85.02898	6.2
87.04463	0.4
91.03953	3.3
91.05477	1.7
93.07033	2.2
95.04984	0.5
95.08607	2.1
97.02884	5.9
99.04468	1.1
103.03970	0.3
105.07017	1.4
107.08595	1.7
109.02881	0.7
109.06515	0.3
109.10164	0.9
115.03960	0.7
117.07029	0.5
119.08596	1.2
121.10153	1.5
123.11708	1.0
123.61976	0.3
127.03928	2.0
133.10127	0.4
135.11702	0.8
145.04962	0.6
145.10117	0.4
147.11691	1.2
159.11751	0.4
185.04224	0.7
203.05322	0.9
243.08424	1.3
251.11278	0.5
251.12491	0.5
259.07993	0.3
266.86389	0.3
269.12433	1.4
287.13480	0.9
293.12607	0.3
301.20050	0.5
335.26099	0.7
347.09360	2.6
363.09052	0.5
365.10751	1.3
405.13678	4.2
407.67978	0.3
425.21344	0.4
469.20419	5.2
473.04584	0.3
519.29419	4.4
546.87604	0.3
631.25305	4.1
681.34534	6.8
724.04553	0.4
747.42303	3.1
865.48798	0.6
909.48108	100.0
910.48444	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	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05180	2.7
67.05508	37.8
69.03444	2.0
69.07068	10.5
69.59540	2.0
71.05013	2.1
73.02905	2.8
79.05070	2.9
79.05495	38.7
81.02989	3.0
81.03420	45.2
81.06591	2.4
81.07054	45.7
83.04984	10.2
83.08617	17.4
85.02502	2.1
85.02910	22.8
91.03961	6.0
91.05479	30.8
93.07044	32.7
95.04967	19.9
95.08608	26.5
97.02894	7.8
97.06522	4.9
97.10140	2.4
105.04599	2.2
105.07025	23.5
107.04968	6.2
107.08599	15.7
109.06509	4.0
109.10168	14.6
111.04401	2.6
111.08079	8.7
117.07006	4.7
119.08583	16.5
121.10149	16.4
122.94834	1.9
123.11704	5.1
125.09601	2.3
127.03903	4.5
129.06996	8.1
131.08620	12.9
133.10114	10.7
135.11676	5.9
142.07741	2.8
145.04942	2.9
145.10101	3.8
147.08012	3.3
147.11696	12.2
149.09615	3.5
149.13249	4.6
157.10144	9.8
159.11700	3.3
163.11143	2.1
165.12791	3.8
173.13278	3.3
175.11166	9.9
175.14841	1.9
184.07336	4.1
193.12260	31.0
196.08453	1.8
201.16232	2.6
211.13284	51.4
224.93369	2.2
243.21072	3.7
251.35011	2.0
257.54037	2.1
261.22086	10.8
267.15884	15.9
285.16977	61.0
317.24905	2.4
335.25797	65.6
340.46555	1.7
412.83191	2.1
453.33768	2.3
504.07559	2.1
527.37189	15.0
545.38373	100.0
546.39319	2.1
905.45471	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	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.8
67.05502	46.5
68.66563	0.3
69.03429	2.7
69.07064	14.2
70.14846	1.7
71.04996	2.9
73.02923	2.8
73.06528	0.4
77.03915	0.5
79.05490	28.0
80.14153	0.3
81.03423	1.9
81.07053	78.3
82.07362	0.6
83.04985	4.8
83.08613	7.8
85.02903	10.5
85.06544	4.2
85.58450	0.3
86.67001	0.4
91.03955	5.4
91.05476	24.6
93.07040	31.1
94.07298	0.3
95.04962	4.1
95.08601	35.6
97.02878	5.0
97.06522	5.5
97.10164	1.6
99.04452	0.9
99.08070	2.5
101.02341	0.4
101.06038	1.0
103.05475	0.3
105.04522	0.7
105.07026	28.6
107.04940	0.6
107.08589	20.3
109.02926	0.4
109.06522	4.0
109.10147	11.8
111.08089	1.3
113.06022	1.0
117.07010	2.5
119.08574	24.7
121.10139	22.4
123.08083	3.2
123.11701	20.2
124.12034	0.5
127.03930	2.0
127.07574	2.0
129.07065	1.7
131.08560	6.8
133.10135	6.5
135.11685	8.4
136.06175	0.5
137.09636	0.8
137.13249	2.4
139.11151	0.5
141.09102	0.8
143.08632	0.4
145.04965	2.3
145.10117	3.9
147.11679	46.6
148.12062	0.8
149.09589	0.8
149.13257	4.2
157.10106	2.7
159.11674	2.8
161.13263	3.0
163.06024	2.7
163.14819	1.6
165.12750	17.0
173.13261	2.6
174.81868	0.4
175.11166	1.7
175.14856	1.2
177.16393	1.2
183.13745	1.6
187.14867	1.5
189.16376	0.4
193.12253	1.1
201.16382	0.5
211.13206	0.5
229.14334	4.0
231.15977	0.3
233.22586	0.7
243.21051	4.8
261.22131	15.2
262.22513	0.4
267.15906	51.0
268.16296	1.0
279.23105	2.8
285.16949	51.6
286.17297	1.1
317.24692	3.1
333.24228	0.4
335.25778	100.0
336.26126	2.5
353.26932	1.4
420.52258	0.4
425.61127	0.4
453.33710	1.1
471.34583	1.3
497.30331	0.4
527.37170	4.0
545.38354	56.3
546.38770	1.9
563.39496	2.6
625.95251	0.5
659.34888	0.4
904.56073	0.5
905.46167	0.9
925.23169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.2
67.05501	56.9
69.03416	2.6
69.06727	1.4
69.07064	16.2
71.04972	2.8
73.02910	4.2
77.03906	0.8
79.05489	32.9
79.85549	0.7
81.03419	2.2
81.07050	97.6
82.07393	1.1
83.04983	5.3
83.08611	8.8
85.02894	14.2
85.06526	3.4
90.37577	0.8
91.03957	6.6
91.04901	1.4
91.05476	30.4
93.07035	34.2
95.04980	5.3
95.08599	38.3
97.02891	7.4
97.06514	7.0
97.10152	2.4
97.37161	0.7
99.04448	0.9
99.08084	4.1
101.05984	1.2
105.07021	34.9
107.08579	24.7
107.52966	1.0
109.06488	4.6
109.10143	13.0
111.08061	1.9
113.06005	1.1
117.07015	3.6
119.08573	31.9
121.10137	31.1
121.11000	1.1
121.27756	0.8
123.08060	5.4
123.10809	1.6
123.11703	27.8
125.09653	0.7
127.03894	3.2
127.07533	3.3
129.06961	1.4
131.08546	7.8
133.10120	8.0
134.07494	0.8
135.11699	8.2
137.09633	1.6
137.13237	2.6
141.09114	0.9
144.06464	0.8
145.04922	4.1
145.10126	5.1
146.89836	0.7
147.11678	66.3
149.09605	1.0
149.13252	5.3
157.10098	2.6
158.21237	0.8
159.11656	3.8
161.13203	2.9
163.06020	3.0
163.14827	2.2
164.83206	0.7
165.12741	24.7
173.13228	3.7
175.11176	1.9
175.14761	1.8
177.12711	0.7
177.16362	1.0
183.13785	3.8
187.14761	1.6
193.12221	2.2
211.13234	0.9
229.14363	6.8
229.16640	1.1
229.63371	0.7
243.21008	6.8
261.22125	21.5
267.15894	71.9
268.16226	1.5
279.23215	3.2
285.16940	100.0
286.17230	2.1
317.24701	4.8
335.25775	77.6
336.26196	2.0
340.72086	0.7
353.26886	3.3
471.34344	2.5
527.37225	8.2
545.38336	68.9
546.38605	2.2
563.39258	4.0
904.48810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2761
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
68.79532	0.2
68.99815	0.2
69.03410	0.7
70.78093	0.2
70.78424	0.4
71.01342	0.3
71.04987	9.0
73.02904	0.7
75.04466	0.5
81.03405	0.4
83.04990	1.4
85.02901	12.0
87.04436	0.3
91.03951	0.4
97.02888	0.9
98.97617	0.2
99.04463	0.3
109.02854	0.3
111.00796	0.4
111.04439	1.3
117.05483	0.2
119.04909	0.2
120.41470	0.2
121.02864	1.5
127.03922	0.8
129.05475	3.2
133.02809	0.2
137.02335	0.7
145.06491	0.2
147.04408	1.4
147.06505	1.0
153.01813	1.8
153.05429	0.2
163.05946	0.3
165.01816	1.2
183.02957	0.3
213.05452	0.8
227.81419	0.2
231.06438	0.5
237.02762	0.3
239.09102	0.7
241.04993	0.5
249.94258	0.2
258.05206	0.7
261.02893	0.2
287.05475	100.0
288.05829	1.2
299.05505	0.5
303.05035	0.3
319.30707	0.2
329.06406	1.3
353.06534	0.6
377.01685	0.2
397.09192	0.8
415.10165	0.4
433.11212	1.1
449.10779	23.3
450.11255	0.4
480.10608	0.5
512.23071	0.2
595.16241	0.5
654.63275	0.3
733.00732	0.2
741.22418	0.3
761.07825	0.2
901.51257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2747
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
68.99780	0.5
69.03417	0.7
69.24892	0.3
69.25111	0.6
69.25536	1.6
71.01334	0.4
71.04990	10.1
73.02911	1.0
75.04477	0.4
77.57636	0.2
81.03407	0.3
83.04967	1.5
85.02900	13.1
91.03943	0.5
93.74783	0.2
95.04949	0.4
97.02888	0.8
99.04463	0.2
111.00806	0.6
111.04426	1.3
121.02849	2.2
127.03895	0.4
129.05470	2.9
132.99295	0.2
133.02878	0.3
137.02296	0.5
137.19147	0.2
145.04958	0.2
147.04395	0.5
147.06509	0.9
153.01823	1.8
157.06509	0.3
161.15367	0.2
163.05992	0.3
165.01804	1.0
173.95737	0.3
183.03001	0.3
185.05952	0.3
209.36055	0.2
213.05499	1.0
231.06490	0.5
239.09108	0.3
241.04964	0.5
258.05215	0.8
259.05975	0.4
287.05481	100.0
288.05817	2.1
299.05548	0.8
300.06021	0.2
325.07043	0.3
329.06561	1.4
353.06482	0.4
357.01041	0.2
364.23871	0.2
397.09265	0.4
415.10355	0.5
433.11087	0.7
449.10782	19.0
450.10867	0.8
520.73242	0.2
816.37915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.8
67.05486	0.2
68.99795	0.4
69.03423	0.7
71.01352	0.3
71.04987	10.7
73.02908	0.8
75.04475	0.8
79.05494	0.2
81.03405	0.7
83.04974	3.2
85.02898	12.3
85.30969	0.1
87.04449	0.3
88.79935	0.1
91.05470	4.9
93.03367	0.2
95.04976	0.8
97.02888	0.8
97.06529	0.2
99.04438	0.5
101.05990	0.2
106.37783	0.1
107.04942	0.5
107.65003	0.2
109.02834	0.7
111.00790	0.8
111.04442	2.2
113.05991	0.3
117.05478	0.3
119.04932	13.1
121.02868	1.1
123.04431	0.3
127.03891	0.9
129.05470	3.4
131.04904	0.3
135.04448	0.3
137.02321	2.8
137.03284	0.2
139.03857	0.2
141.06924	0.1
145.04984	0.2
145.06483	0.2
147.04396	62.9
148.04788	0.8
149.02324	0.3
151.03891	0.2
153.01813	3.4
153.05452	0.6
155.04898	0.2
157.04947	0.2
161.05997	0.3
163.03902	1.0
163.06027	0.4
165.01831	2.0
165.05455	2.1
171.06569	0.3
173.05968	0.5
177.01979	0.2
177.05521	0.2
183.02876	0.8
183.04311	0.2
185.05933	0.2
187.03918	0.2
195.02902	0.4
201.05478	1.6
205.04941	0.2
213.05434	0.3
219.02837	0.2
219.06665	0.2
229.04938	4.0
229.37331	0.2
231.06490	0.2
239.09131	0.7
247.05911	0.4
257.04395	2.8
257.10287	0.2
273.09927	0.2
274.04697	0.6
275.04965	0.2
275.09131	0.4
285.03894	1.8
287.05493	4.2
288.05804	0.2
291.08609	1.0
293.09967	0.7
303.04959	100.0
304.05286	1.7
309.09641	2.1
315.04913	0.5
345.06039	0.9
405.09543	0.5
413.08289	0.2
449.10693	1.1
465.10272	0.2
593.12720	0.6
595.14264	0.5
611.13458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2543
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03930	0.6
68.99775	0.2
69.03426	0.1
69.37372	1.2
71.04990	4.9
75.04475	0.2
76.85780	0.1
81.03400	0.2
83.04976	0.3
85.02901	5.8
91.05476	5.3
97.02873	0.3
99.27024	0.1
105.03430	0.1
107.04962	0.3
109.02875	0.2
111.00806	0.5
111.04419	0.2
119.04936	11.5
120.05186	0.2
121.02856	1.9
127.03911	0.4
129.05479	1.5
133.02872	0.3
137.02347	0.7
141.06993	0.2
145.06490	0.1
147.04401	43.9
148.04749	0.5
153.01822	2.5
157.06558	0.2
161.05945	0.1
165.01836	1.0
165.05496	0.9
171.04430	0.2
183.02896	0.5
185.05948	0.4
203.07066	0.3
213.05437	1.1
226.54475	0.1
231.06499	1.0
241.04971	0.5
258.05258	0.7
259.06088	0.3
273.07486	0.3
275.09128	0.2
287.05475	100.0
288.02631	0.1
288.05811	2.6
288.08804	0.2
291.08557	1.3
292.08862	0.1
293.10242	0.3
299.05780	0.1
304.16837	0.1
309.09647	1.3
329.06595	0.4
449.10782	15.4
450.11261	0.6
546.89124	0.1
739.18597	0.2
793.85602	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.254
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03934	0.6
68.17436	0.2
68.63431	0.1
68.99780	0.3
69.03419	0.3
70.85481	0.1
70.85843	0.4
71.04990	5.3
75.04475	0.2
79.85342	0.1
81.03406	0.3
83.04986	0.4
85.02900	5.9
87.04454	0.2
87.36830	0.2
91.05474	5.4
97.02879	0.6
105.03368	0.2
107.04947	0.2
109.02862	0.3
111.00785	0.5
111.04430	0.2
115.19868	0.1
119.04931	11.3
121.02853	1.8
127.03905	0.4
129.05481	1.1
133.02859	0.2
136.11607	0.1
137.02318	0.4
145.06471	0.3
147.04398	49.7
148.04744	0.5
153.01814	2.4
157.06473	0.3
165.01843	1.1
165.05467	1.8
174.44865	0.1
183.02893	0.8
185.05991	0.4
187.07571	0.2
189.05510	0.2
203.07159	0.3
205.23793	0.1
213.05434	0.8
231.06596	0.9
241.04852	0.7
258.05270	0.8
259.05997	0.5
269.04434	0.2
273.07574	0.3
275.08914	0.2
287.05472	100.0
288.05838	1.4
291.08527	0.9
293.10184	0.2
299.05475	0.2
303.04886	0.4
309.09653	1.4
329.06491	0.5
353.06583	0.2
413.08740	0.2
433.11691	0.2
449.10788	14.3
450.11005	0.3
455.15546	0.2
499.18140	0.2
739.18341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
68.99807	0.2
69.03413	0.5
69.47670	0.3
69.48064	0.9
71.04991	6.0
75.04464	0.2
76.73212	0.1
81.03417	0.7
83.04976	0.7
85.02901	12.7
91.05476	4.1
97.02889	2.2
99.04424	0.2
104.38783	0.1
107.04960	0.2
109.02872	1.1
111.00774	0.5
111.04443	0.5
119.04938	8.8
121.02855	1.6
122.05721	0.1
127.03914	1.2
129.05476	1.7
130.52374	0.1
133.02852	0.3
137.02287	0.5
141.21002	0.1
145.04962	0.7
145.06526	0.2
145.25999	0.1
147.04402	43.4
147.23221	0.2
148.04750	0.5
151.03856	0.2
153.01839	2.2
154.76097	0.1
157.06477	0.2
165.01848	0.9
165.05482	1.8
183.02913	0.5
185.05933	0.2
213.05479	1.0
231.06491	0.3
241.04933	0.9
258.05219	0.8
259.05957	0.3
267.72711	0.1
275.09085	0.2
287.05478	100.0
288.05826	2.3
291.08606	0.3
293.10239	0.2
299.05542	0.5
303.04993	0.3
309.09659	2.1
329.06561	0.3
352.59143	0.1
353.06729	0.2
356.06421	0.1
358.30637	0.1
433.11160	0.2
449.10791	17.3
450.11032	0.5
455.15451	0.3
555.13129	0.2
595.14667	0.3
674.93127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05523	0.6
65.03909	1.4
67.05506	30.0
67.05834	1.3
68.05799	1.0
69.03399	1.6
69.07067	9.2
69.45367	3.4
69.45787	2.0
71.04943	2.3
71.08630	0.7
72.04481	0.7
73.02878	1.3
79.05493	25.7
81.03378	2.1
81.07056	30.0
82.07323	0.7
83.04937	3.0
83.08611	7.4
85.02855	2.2
91.03900	1.4
91.05478	13.5
93.07043	37.3
95.04972	5.6
95.08606	37.5
96.08925	0.9
97.02892	3.8
97.06486	2.3
97.10135	1.1
98.21516	1.0
99.04458	3.1
103.05462	1.0
105.07027	8.9
107.04938	5.1
107.08598	24.6
109.06464	2.5
109.10151	10.6
117.07012	7.7
118.06478	0.8
119.08583	9.8
121.06526	3.5
121.10140	16.6
123.08059	1.1
123.11637	2.4
125.05961	1.3
129.06950	0.9
130.07722	0.8
131.08559	4.3
132.07997	0.7
133.10114	5.8
134.94736	0.8
135.08006	1.6
135.11693	33.7
136.06226	3.1
137.13217	1.0
139.07504	1.0
139.11104	0.7
143.08537	1.1
144.08020	0.8
145.10114	19.5
147.11652	2.7
149.09634	0.8
149.13269	4.0
159.11624	1.8
161.13223	1.9
163.06009	0.7
163.11182	38.2
163.14792	1.0
164.11484	0.8
173.13257	1.5
177.16409	0.9
181.12238	6.4
187.14774	1.1
209.11717	1.1
227.12775	50.3
243.21022	2.5
244.20665	0.9
261.22153	8.6
272.20065	4.3
273.20392	2.7
283.15390	53.7
284.15952	1.0
290.21136	1.0
291.21561	0.7
317.24826	1.3
335.25787	100.0
336.26224	4.3
337.26389	1.1
361.24860	2.4
362.25140	2.2
387.22803	1.4
388.23004	1.1
417.27188	0.8
543.36816	91.6
544.37238	3.4
676.46375	2.0
696.50555	1.0
705.41010	1.3
722.47992	1.0
739.48956	1.7
740.49194	9.9
902.54938	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	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.6
67.05503	37.3
67.05832	1.2
68.05788	0.7
69.03385	2.5
69.07063	10.7
70.11534	2.7
71.04991	3.0
72.04487	1.4
73.02876	1.7
74.33367	0.6
75.98616	0.5
79.05489	35.5
80.05795	0.7
81.03368	2.3
81.07053	39.7
82.07366	0.7
83.04976	3.6
83.08623	10.0
85.02897	3.6
85.06544	1.0
91.03907	1.8
91.05470	17.2
93.07040	44.3
94.07330	0.8
95.04973	6.1
95.08604	47.8
96.08916	0.9
97.02889	4.1
97.06473	2.6
97.10123	2.1
98.20784	0.6
99.04451	3.0
99.08038	0.8
103.05427	1.2
105.07024	13.0
107.04959	6.1
107.08588	29.7
109.06451	2.1
109.10150	12.5
111.04414	1.1
111.08101	1.3
115.05379	0.7
117.07011	9.7
118.06499	1.0
119.07816	0.8
119.08572	11.7
121.06503	4.4
121.10135	18.1
123.08051	0.7
123.11650	2.4
125.05930	2.4
125.09528	0.7
129.06905	0.6
130.07724	2.2
131.08582	4.7
133.10133	6.8
135.08020	1.9
135.11687	44.6
136.06165	3.0
136.11996	1.3
137.97639	0.5
139.07468	1.4
143.08508	1.4
145.04999	1.0
145.10118	22.0
146.09549	0.8
147.11682	3.2
148.11954	0.7
149.13237	3.8
153.12761	1.0
155.08435	0.6
159.11674	2.6
160.23808	0.6
161.13191	1.6
163.11174	46.2
163.14809	1.4
164.11537	1.0
171.11458	0.6
173.09619	1.2
173.13196	2.2
175.14792	1.1
180.60532	0.7
181.12215	6.1
187.14871	0.8
201.16273	0.8
209.11821	0.9
217.13329	0.9
227.12769	55.0
228.13203	1.5
230.15152	1.0
243.21030	2.6
256.79007	0.6
261.22198	6.7
272.20056	5.9
273.20334	2.7
277.21396	0.6
283.15387	49.5
284.15622	1.1
290.21118	1.8
292.64911	0.7
317.24786	1.8
335.25781	100.0
336.26096	5.7
353.83878	0.7
361.24835	3.0
362.25079	2.2
387.22699	1.2
388.22989	1.4
405.23849	1.3
406.24194	0.8
444.19659	1.0
445.19601	0.9
542.16608	0.7
543.36798	96.5
544.36957	4.5
600.77191	0.7
676.46118	1.0
686.40564	0.7
696.51001	1.4
705.40985	0.8
722.47675	1.7
739.48859	1.8
740.49030	11.6
858.55457	0.8
885.52240	1.1
902.54742	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	901.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09832	0.8
65.03949	2.2
67.05137	1.2
67.05501	24.4
69.03426	2.0
69.07079	7.2
70.83913	3.3
71.08624	1.1
72.04515	12.2
73.02932	1.4
79.05492	17.7
79.05910	1.5
80.05825	1.2
81.03413	4.6
81.07053	25.4
81.07521	1.5
83.04984	0.9
83.08607	5.1
85.02934	3.1
86.06599	1.0
91.03991	1.0
91.05479	9.2
93.07037	23.5
94.07375	1.0
95.01335	1.3
95.04956	4.8
95.08604	26.4
97.02911	2.8
97.06556	2.1
97.10186	1.7
99.04465	1.2
99.08097	1.4
105.07037	8.3
106.06555	4.2
106.07243	1.3
107.04986	2.9
107.07384	1.3
107.08592	13.2
109.06564	1.6
109.10149	6.5
111.04454	1.0
115.05463	1.4
117.07048	5.0
118.06557	7.9
119.08575	6.6
121.06538	2.4
121.10135	9.4
123.04482	1.3
123.11717	1.4
127.03884	1.0
129.07019	1.7
131.07339	3.8
131.08569	4.0
132.08125	3.5
133.10176	3.7
135.11682	16.5
136.06219	2.5
139.03928	1.2
139.89915	0.9
141.07120	1.1
144.08138	3.9
145.10110	11.5
146.09584	4.9
147.11703	1.8
149.13345	1.6
152.01207	1.0
153.12714	0.9
158.09714	1.9
159.10463	1.3
159.11711	1.3
160.11194	6.6
163.11153	16.0
172.11198	4.5
173.11975	1.2
173.13309	1.6
174.12823	2.1
181.12300	3.0
187.11278	1.4
189.10236	2.8
202.15750	1.2
203.11879	3.0
209.11803	1.1
216.10950	1.0
217.13458	8.2
227.12752	18.7
227.16357	1.1
230.15543	4.3
243.10768	1.1
243.20865	1.4
244.20602	8.1
261.22226	4.2
267.16089	3.0
268.16428	1.5
272.20074	61.5
273.20132	1.1
280.81073	0.9
283.15381	22.1
289.10840	1.5
290.21106	18.4
298.21802	4.4
301.19397	1.3
307.15466	1.5
308.15787	1.2
313.27536	3.6
314.27951	1.2
316.22696	10.6
317.24802	1.2
319.20325	1.8
325.12842	1.2
335.25775	51.5
336.26071	11.5
338.68005	1.1
341.22293	1.9
342.20801	4.1
343.23798	7.8
345.18216	2.5
346.23944	3.3
351.14481	1.9
352.14844	1.4
359.23190	1.7
360.22104	2.0
361.24857	37.7
364.24979	2.6
369.21777	6.4
370.20013	6.1
385.70728	1.1
387.22733	25.0
388.17120	1.2
388.20914	4.6
390.26572	2.3
405.23792	8.8
417.27490	7.8
425.18079	2.1
426.18481	1.9
435.28455	6.2
443.18988	7.7
444.18939	5.0
461.26764	2.8
462.25140	4.0
479.27399	5.7
505.39804	1.5
506.39368	2.8
543.36816	37.5
631.46484	1.1
675.46100	3.0
677.48889	3.3
686.39514	1.7
695.50092	9.7
704.40662	7.3
721.47894	15.5
722.46375	5.4
739.48853	100.0
740.48938	6.6
857.54913	3.9
884.51465	4.3
901.54175	36.2
902.54169	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.7
67.05503	38.1
69.03414	2.7
69.07069	10.8
69.23608	6.8
71.04981	2.3
71.08620	0.8
79.05490	30.8
81.03426	6.0
81.07056	36.0
83.01318	0.9
83.04961	2.2
83.08621	4.6
85.02905	3.8
85.06557	1.5
89.73180	0.7
91.03952	0.8
91.05480	19.3
92.85363	0.8
93.03407	1.2
93.07041	26.7
95.01339	4.2
95.04966	7.1
95.08601	28.1
97.02889	3.3
97.06508	2.1
97.10149	3.2
98.21518	1.8
103.05449	2.6
105.03335	1.0
105.07023	13.3
107.04958	3.7
107.08591	13.7
109.02853	2.6
109.06523	2.6
109.10150	11.7
111.00815	0.9
111.04431	1.6
111.08067	1.4
115.05453	2.6
116.73949	0.7
117.06995	7.4
119.04916	2.2
119.08587	11.7
121.02847	1.1
121.06485	2.2
121.10139	10.7
123.04401	1.9
123.08084	1.9
123.11687	2.4
125.02312	1.4
125.09624	0.8
127.03848	0.9
128.06216	2.3
129.07001	7.4
131.04933	2.0
131.08549	10.4
133.06442	3.7
133.10146	7.2
135.04413	3.4
135.08026	1.9
135.11673	5.9
137.06004	1.3
137.09579	1.3
139.03934	1.2
139.11194	1.0
141.06956	2.7
142.07709	0.8
143.08586	5.4
145.02837	1.1
145.06517	4.5
145.10143	6.9
147.04390	3.1
147.08060	1.5
147.11676	5.0
149.02306	3.8
149.05931	1.8
149.09613	1.9
149.13237	1.6
151.03932	2.2
153.06972	1.0
154.07820	1.5
155.03397	1.0
155.08551	3.4
157.06454	2.5
157.10103	4.1
159.04405	2.0
159.08075	1.1
159.11700	5.7
161.05960	4.2
161.09592	1.7
161.13220	2.4
163.03940	2.5
163.11182	1.3
163.14836	1.4
165.05568	1.4
165.06927	1.8
166.07796	1.0
167.08563	2.5
169.10123	3.6
171.04445	1.0
171.08032	3.5
171.11667	3.6
173.05954	3.5
173.09641	2.3
173.13271	2.4
175.03851	3.9
175.07603	1.1
175.14854	1.0
177.05496	1.6
177.12813	1.0
179.03386	1.7
181.06534	1.0
181.10126	2.1
183.08125	2.1
183.11703	2.2
185.05986	1.7
185.09616	2.2
185.13243	1.8
187.03929	1.2
187.11119	1.7
187.14885	1.8
189.05453	3.8
191.03442	1.5
191.07065	1.0
191.08675	1.0
193.04965	0.8
193.12273	1.8
195.08084	0.9
195.11723	2.2
197.09615	2.5
197.13313	1.3
199.03914	1.9
199.07574	1.7
199.11240	2.4
201.05452	2.4
203.03296	1.3
203.06987	0.9
203.10634	1.2
205.04904	0.9
205.10152	1.9
205.12250	0.8
207.11583	1.0
209.13301	1.3
211.11169	0.9
213.09126	0.9
213.12834	1.8
215.10730	2.0
217.04971	1.4
221.04419	7.8
223.11134	2.6
225.09166	1.7
227.07097	0.9
227.10777	1.8
230.15469	1.0
231.10017	1.2
233.11725	4.7
235.06052	1.4
241.12190	3.7
243.10268	2.0
243.13831	1.2
243.21091	1.5
245.11815	0.9
251.10695	2.2
255.10182	1.7
259.13251	1.8
259.20502	2.2
261.11234	1.4
261.22086	5.7
266.52902	0.8
267.15897	2.9
269.11795	4.3
277.10672	2.0
278.45081	0.8
287.12750	5.9
289.10754	1.8
289.14185	1.3
290.32635	0.9
297.11221	2.4
303.12308	1.2
305.13843	2.2
307.15445	1.9
309.22153	1.0
313.27435	4.5
315.12250	8.9
315.23193	0.8
317.24649	1.7
325.13062	1.1
333.13312	41.2
333.24210	2.2
334.13995	0.8
335.25800	100.0
336.26157	3.7
351.14371	5.4
369.15378	0.8
407.16946	4.7
417.31625	1.4
425.18060	34.6
426.18314	1.1
427.19925	1.3
435.32404	3.1
443.19217	6.8
453.33636	1.1
505.39041	3.8
527.30103	1.0
527.37286	11.6
528.37878	3.0
529.39111	1.6
547.35132	1.1
557.32513	1.4
565.34845	0.9
567.35889	1.2
575.33575	2.3
593.34674	5.2
611.35645	5.9
629.36694	1.3
649.37048	1.6
667.38330	7.3
685.39362	31.8
703.40399	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.7
67.05496	7.7
67.82130	0.5
68.99780	1.1
69.03426	10.7
69.07059	11.4
69.20077	0.4
71.04987	2.3
71.08597	0.7
71.57842	0.6
71.58242	0.6
73.02910	3.2
77.72713	0.4
79.05482	6.0
80.75105	0.5
81.03414	12.9
81.07048	20.9
82.27153	0.5
83.01341	0.5
83.08616	6.6
85.02898	25.4
86.09690	0.5
87.00306	0.6
87.00819	9.7
91.05459	5.4
93.07037	16.5
95.01255	0.5
95.04948	0.9
95.08600	43.2
97.02886	16.8
97.10154	4.8
99.04455	5.4
105.01855	11.9
105.07022	13.0
107.08584	26.1
108.04448	2.3
109.02873	15.4
109.10148	27.2
110.07105	0.9
111.04357	0.4
111.08103	0.8
111.11704	1.7
117.01865	1.1
117.06996	1.1
119.08572	24.1
121.10135	28.8
122.10492	0.6
123.11703	13.5
125.05965	0.5
126.05497	1.7
127.03908	23.2
129.01811	1.5
131.08575	3.7
133.09103	0.9
133.10121	19.4
135.11678	22.2
137.05977	0.7
137.13248	9.0
139.07536	1.0
141.01802	1.1
145.04939	8.0
145.10107	6.9
147.02895	0.7
147.11674	17.4
149.13252	19.5
151.11087	0.6
151.14778	0.8
153.09087	3.5
154.49275	0.5
157.10091	1.4
159.01659	0.9
159.02869	7.8
159.11691	4.6
161.13249	10.3
162.07706	0.5
163.14812	12.5
165.09134	0.8
165.16365	0.5
167.10660	1.5
171.11639	0.9
173.13217	3.8
175.13307	0.6
175.14804	10.3
177.16382	7.3
179.10681	1.4
179.17905	2.6
185.13255	1.1
187.14827	6.1
189.16368	31.6
190.16719	0.6
191.17931	87.5
192.18304	1.4
193.12253	0.7
193.15764	0.6
193.19420	0.9
199.14886	1.5
201.16360	25.2
203.17937	58.3
204.18291	1.0
205.19507	25.1
207.17435	1.5
213.03923	2.4
213.16400	2.7
214.56081	0.5
215.17928	12.3
217.19498	9.7
219.21120	1.1
221.15382	1.4
221.18991	1.8
223.16968	0.9
225.16464	0.7
227.17917	1.1
229.19475	3.4
230.95959	0.5
231.04948	5.9
231.17485	0.8
231.21072	4.2
233.15367	0.9
235.16895	5.4
241.19508	1.9
243.21049	3.2
245.22701	3.1
247.16914	16.5
248.07677	1.9
249.06107	1.6
249.18477	13.4
255.21088	2.1
257.22717	1.4
259.16888	1.0
261.18491	6.8
266.08624	0.7
269.22595	1.5
271.24304	0.7
273.18491	0.7
275.20068	1.2
287.20001	0.8
289.21649	1.9
297.25778	0.6
301.21613	0.6
315.23169	1.9
323.27615	0.7
329.24652	1.1
329.88135	0.5
343.26355	1.3
351.30380	0.6
355.26175	0.6
383.20789	0.6
393.35135	21.4
394.35367	0.6
411.36142	3.3
421.34683	1.5
437.34128	0.9
439.35681	100.0
440.35989	3.9
587.39355	2.9
625.31366	0.5
669.39630	0.9
687.40680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.4
67.05506	21.7
69.07067	12.4
69.24104	4.8
71.04985	0.7
71.08618	1.0
79.05483	6.0
79.61462	0.4
81.03401	0.6
81.07057	23.1
83.08620	6.4
91.05481	4.2
93.07036	6.3
95.04936	0.8
95.08604	18.3
95.84332	0.5
96.08986	0.4
96.30270	0.4
97.02895	0.5
97.06520	1.3
97.10155	3.5
98.20784	0.9
99.08096	0.5
105.07037	4.0
107.08585	4.4
109.10148	6.4
111.08106	0.6
111.11650	0.5
113.00019	28.7
119.08569	2.7
121.10141	3.5
123.08025	0.5
123.11698	2.9
125.09628	0.6
131.01047	0.6
133.10132	3.7
135.11678	1.8
136.12442	0.4
137.13277	0.8
138.18280	0.4
141.12662	0.4
145.10191	0.4
147.11710	1.6
149.13251	1.1
149.39476	0.4
151.11131	0.5
161.13257	1.1
163.14841	0.5
169.02608	24.7
175.14827	0.9
177.16522	0.5
187.03665	2.3
245.22710	2.8
263.23740	4.4
337.27362	100.0
338.27960	2.1
395.03973	0.4
473.65067	0.4
671.94043	0.5
794.57837	0.5
897.45923	0.4
912.89331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	17.2
68.99760	2.0
69.03426	22.8
69.07059	15.1
69.24769	14.8
69.25185	5.4
71.04984	1.6
73.02905	3.7
79.05494	10.7
79.57166	1.8
81.03410	22.9
81.07049	40.3
81.10309	1.7
83.05011	2.2
83.08598	5.7
85.02898	55.0
87.00816	26.8
87.04434	1.7
91.05469	14.5
93.07040	34.3
95.01340	6.9
95.04952	4.6
95.08600	66.1
97.02886	35.8
97.10181	4.5
99.04457	8.6
103.03977	1.7
105.01857	45.3
105.07017	41.3
105.57711	1.6
107.08589	51.0
109.02876	29.1
109.06545	2.7
109.09461	3.5
109.10146	45.4
110.42258	1.7
111.08066	19.8
117.07019	3.4
119.08576	66.4
121.10133	45.8
123.11674	11.1
127.03906	47.4
131.08562	15.1
133.10121	46.8
135.11668	23.6
137.13248	3.3
141.01805	14.7
143.08592	4.3
145.04939	20.3
145.10121	27.9
147.11674	44.6
147.12788	2.8
149.12030	3.7
149.13243	77.2
153.09169	4.0
157.10121	5.8
159.02881	10.2
159.11673	26.9
161.13235	47.8
163.11079	2.0
163.14803	27.0
171.11642	5.1
173.13268	20.5
175.14813	42.5
177.16364	35.6
183.11668	1.8
185.13248	4.3
187.14812	24.5
189.03954	3.6
189.16371	94.2
191.17926	17.3
195.17484	2.2
197.13316	1.9
198.85474	1.7
199.14803	5.5
201.16359	43.3
203.17946	100.0
205.15875	12.3
205.19498	4.9
207.17421	28.9
213.03986	5.8
213.16406	6.9
215.18005	19.1
217.15828	2.3
217.19598	4.8
219.17453	7.1
221.15538	2.3
225.16333	1.8
227.17915	1.9
229.19424	6.0
231.04977	20.0
231.17418	5.4
231.20988	2.0
233.19058	3.6
235.16925	5.3
241.19469	3.3
243.21111	2.7
247.16913	6.3
249.06053	7.5
249.18439	10.8
255.21320	2.0
259.75928	1.8
261.18622	2.3
283.06094	4.3
336.48666	1.9
343.26349	3.1
351.30481	5.4
355.26453	2.0
379.33664	2.3
391.33582	17.7
397.30930	15.4
409.34622	73.8
411.36365	4.1
423.92084	2.3
425.34195	9.5
427.35657	6.3
437.34143	75.8
438.34497	2.6
455.35147	39.7
496.65714	2.0
567.36981	4.4
613.37518	2.6
685.39233	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	891.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
65.38782	0.9
67.05505	17.7
69.03392	0.8
69.07064	15.5
71.01352	19.0
71.04990	61.7
73.02915	3.9
75.04476	7.2
77.03909	0.9
79.05486	9.8
81.03410	1.1
81.07056	28.9
83.04976	3.9
83.08612	9.9
85.02901	100.0
87.04449	2.0
91.05479	11.3
93.07043	21.7
95.01332	4.2
95.04958	2.9
95.08601	66.7
97.02901	1.1
97.06514	1.4
97.10164	5.4
98.21722	1.5
99.04472	2.1
101.02375	35.4
105.07027	23.0
105.07581	0.7
107.08589	38.7
109.10154	48.3
111.04444	3.9
111.07999	0.8
111.11689	4.2
113.02352	3.2
117.07043	2.6
117.98750	1.0
119.08578	37.9
120.48460	0.8
121.10136	35.4
123.08106	1.3
123.11694	19.5
125.13242	1.0
127.03909	19.1
129.05472	26.4
129.06938	1.3
131.03412	4.0
131.08549	5.2
133.09109	1.8
133.10121	35.3
135.11691	30.7
135.12717	1.7
137.13252	6.5
141.01828	6.1
143.08560	1.7
145.04951	68.7
145.10107	12.2
147.06537	8.9
147.11671	24.8
149.13251	14.2
151.14874	2.0
157.10074	1.5
159.02881	2.1
159.11682	12.6
160.12492	1.5
161.13246	25.1
163.14832	14.1
171.11671	2.3
173.13278	9.1
175.14816	18.9
177.05481	1.2
177.16371	22.7
179.17857	4.3
184.07310	1.2
185.13245	2.2
187.14793	12.3
189.16379	43.4
191.16188	2.0
191.17940	41.8
191.27924	1.0
199.14870	2.2
201.16374	15.1
203.17941	25.8
204.18520	1.1
205.19521	10.1
207.17473	3.9
213.16310	1.6
215.17931	11.3
215.19826	1.1
217.19482	26.0
218.19992	1.0
219.21109	4.2
221.19057	1.9
227.17972	2.7
229.19475	11.4
231.21092	5.6
243.21089	6.6
245.22609	3.2
255.08707	1.9
255.21112	2.6
257.22617	6.3
269.22522	5.8
271.24182	6.1
273.09882	1.1
283.24265	3.1
291.10843	1.0
297.25769	6.2
323.27298	1.0
351.30243	1.3
365.19574	0.9
365.31903	2.5
383.20596	4.8
407.36688	62.3
408.37070	3.0
425.37686	10.1
491.30026	1.3
601.40857	8.9
697.00391	1.0
891.46735	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	891.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.5
67.05164	1.6
67.05498	16.3
69.03439	1.4
69.07058	16.1
70.47507	1.9
71.01350	22.5
71.04987	60.5
71.08604	1.0
73.02904	4.9
75.04475	7.6
79.05486	7.9
81.03415	1.6
81.07049	31.9
81.19602	0.8
83.04983	5.4
83.08607	10.0
85.02896	100.0
85.10132	0.8
86.03204	1.1
87.04428	1.4
91.03925	1.3
91.05472	12.6
93.07037	23.0
95.01326	4.5
95.04942	2.9
95.08597	67.5
96.08927	2.0
97.02882	3.1
97.06508	1.1
97.10146	4.6
99.00797	1.0
99.04413	1.4
101.02369	41.4
103.03918	1.3
105.07014	26.3
105.07677	1.7
106.07308	1.1
107.08583	41.3
108.08900	0.9
109.06551	1.0
109.10144	51.7
110.10498	1.3
111.04437	4.4
111.08078	1.0
111.11704	5.1
113.02356	3.0
117.07006	2.5
119.08569	36.4
120.08891	1.7
121.10131	37.2
122.10446	1.5
123.11702	22.1
124.12047	0.9
125.13293	0.9
127.03899	24.7
127.04809	1.8
129.05470	26.1
129.06973	1.6
131.03452	2.0
131.08585	6.7
133.10121	34.4
134.10474	1.3
135.11676	27.9
136.06148	3.0
137.13237	8.7
141.01820	7.8
143.08583	2.0
145.04942	79.2
145.10098	12.1
146.05331	1.9
147.06505	10.1
147.11668	26.8
149.13248	17.5
151.14731	1.3
157.10121	2.7
159.02899	2.1
159.11658	13.5
161.13246	24.7
162.13699	1.0
163.06017	1.1
163.14812	17.1
171.11667	1.9
173.13260	9.7
175.14825	18.3
177.05580	0.9
177.16376	25.7
178.16631	1.1
179.17987	2.3
185.13252	2.5
187.14804	12.9
189.07646	1.0
189.16360	48.5
190.16685	2.6
191.17926	44.0
192.18321	2.5
199.14865	2.4
201.16362	17.5
203.17934	27.4
204.18246	1.2
205.19505	12.1
207.17444	3.7
213.16328	2.1
215.17928	12.9
216.18190	1.3
217.19489	34.8
218.19812	2.3
219.21042	5.1
227.17914	3.8
229.19508	15.3
231.21025	6.8
241.19516	2.4
243.21045	6.3
245.22612	5.1
255.08701	1.5
255.21056	4.2
257.22574	6.6
262.17563	1.0
269.22540	5.8
271.24167	7.4
277.55139	0.8
283.24191	2.2
285.25702	2.6
291.10843	1.3
297.25748	7.0
305.08551	1.1
311.27301	2.0
323.27524	1.0
337.28784	1.8
351.30365	1.3
365.19699	1.2
365.32104	2.3
383.20630	5.3
407.36682	78.4
408.36948	6.8
425.37772	10.7
426.37555	1.2
525.15643	0.8
601.41083	11.9
602.41229	1.1
729.46075	0.9
779.97388	0.9
891.46576	1.8
904.47119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.8
67.05502	7.2
68.44262	0.4
69.03418	2.9
69.07064	6.3
71.01352	16.9
71.04983	1.0
71.58002	0.8
73.02913	10.4
75.04474	4.7
79.05484	4.1
81.03407	0.6
81.06580	0.7
81.07053	13.2
83.04967	0.7
83.08614	3.3
85.02901	21.1
91.05455	6.8
93.07037	11.7
93.07623	0.5
95.01328	2.9
95.04944	1.5
95.08600	30.7
97.02878	5.9
97.06503	0.8
97.10160	2.1
99.04425	0.9
101.02375	27.8
103.03931	1.0
105.07024	12.8
107.08588	17.8
109.02869	1.0
109.06497	0.8
109.10146	16.5
111.04481	0.5
111.08080	1.1
111.11700	1.3
113.02402	0.8
115.03919	3.9
117.06998	1.3
119.08574	22.0
121.10136	17.9
121.11014	0.6
123.08089	3.4
123.11708	6.9
125.02350	0.7
125.09612	0.6
125.80005	0.4
127.03908	100.0
128.04311	0.5
128.06219	0.8
129.07030	1.0
130.07744	0.6
131.08562	6.2
133.04941	2.2
133.10123	15.1
135.08063	0.6
135.11687	12.3
136.06175	1.6
137.13228	4.1
139.03897	0.7
141.01813	11.5
141.06982	0.8
142.07808	1.1
143.08531	4.8
144.09329	0.9
145.04951	21.9
145.10115	13.1
147.10521	0.7
147.11685	13.7
149.09581	0.6
149.13261	8.1
155.08543	1.3
156.09349	1.3
157.10127	9.4
158.10873	1.4
159.02898	1.9
159.11682	13.5
160.12518	0.6
161.09589	1.0
161.13261	9.6
163.11137	1.2
163.14790	7.7
163.51990	0.4
169.10124	1.6
170.10889	1.0
171.11678	5.4
172.12431	0.6
173.09619	0.6
173.13255	10.3
175.11208	1.1
175.14818	7.1
177.03998	0.6
177.12752	1.9
177.16402	3.9
179.14206	0.7
183.11668	2.1
185.13248	3.9
187.14796	11.8
189.12704	1.0
189.16370	13.6
191.14313	5.9
191.17935	33.0
193.15985	1.0
195.11536	0.7
197.13254	2.5
199.14830	5.7
201.12776	0.7
201.16376	8.5
203.14291	4.6
203.15988	0.7
203.17947	15.1
205.15886	0.9
205.19508	3.1
207.17384	0.7
209.13254	0.9
211.14816	1.7
213.16367	6.4
215.14326	3.0
215.17897	4.2
217.07077	0.9
217.15874	3.5
217.19467	4.5
219.05023	0.6
219.17482	1.4
219.21051	1.0
221.19217	0.6
223.14810	0.7
225.16399	1.4
227.17912	2.0
229.15907	2.7
229.19467	3.3
231.17429	10.8
231.20978	3.7
233.19194	1.0
237.16277	0.6
239.17807	1.0
241.16020	0.8
241.19469	1.2
243.17445	1.9
243.21062	1.9
245.19096	0.7
245.22575	0.7
247.20410	0.5
251.17944	0.7
253.19383	0.8
255.17401	1.0
255.21054	1.5
257.18991	0.6
257.22690	0.7
259.20697	0.8
267.21112	0.6
269.19037	0.9
269.22537	0.7
273.06165	0.7
283.20654	1.0
283.23938	0.7
285.21985	0.7
295.24170	1.0
297.25641	0.5
325.25180	0.5
326.09711	0.5
333.25620	0.5
347.26990	0.5
363.30447	0.7
365.28400	0.8
391.33582	0.6
393.35138	6.8
403.33563	7.1
411.36093	0.6
421.34625	29.3
422.34976	1.1
439.35751	3.5
565.38788	1.8
585.38312	0.7
597.38092	0.5
615.38965	0.5
717.42493	0.9
875.20685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.3
67.05502	59.1
69.03445	2.1
69.07063	22.5
69.34340	1.3
69.34680	9.7
71.01344	0.9
71.04975	3.3
71.08616	1.4
72.39243	0.9
73.02898	2.5
79.05488	36.9
81.03397	2.8
81.07051	74.1
83.04970	5.3
83.08147	1.0
83.08618	12.7
85.02896	10.4
85.06535	2.5
91.03953	6.1
91.05478	19.6
93.07040	53.8
95.04948	5.9
95.08604	32.3
96.08911	1.0
97.02887	5.0
97.06518	8.9
97.10171	3.1
97.60063	0.8
99.08072	2.4
105.07027	13.0
107.07865	1.7
107.08586	28.0
109.06535	2.6
109.10138	11.4
111.08076	5.1
117.07011	9.3
119.08555	7.0
121.06462	1.0
121.10136	23.3
123.08092	0.9
123.11697	3.6
127.03903	3.2
131.08569	11.1
131.43759	0.9
133.10121	9.5
135.08051	1.7
135.11691	11.5
137.09608	1.2
139.11174	1.9
145.04929	1.7
145.10078	3.7
147.11678	4.6
149.13249	26.6
159.11667	12.5
161.13297	2.5
163.06004	2.0
163.14796	1.9
170.58170	1.0
173.13249	1.9
177.12770	4.7
185.14441	0.9
185.73763	0.9
187.14716	1.2
195.13786	9.1
200.33199	1.0
213.14873	1.3
243.21141	3.4
261.22159	10.0
267.15869	2.9
269.17462	100.0
270.17844	2.2
317.24667	2.3
329.53189	1.0
335.25790	53.4
336.26154	1.7
437.33777	1.9
455.35052	1.7
470.82040	1.1
529.38879	91.3
530.39331	4.5
547.39667	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	887.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11050	0.1
71.04985	4.1
71.56446	0.2
74.40302	0.1
75.04449	0.3
75.99477	0.1
83.04969	0.8
85.02895	5.3
91.03941	0.2
95.04940	0.2
97.02847	0.4
99.04430	0.1
103.57915	0.1
107.04893	0.2
111.04419	0.8
114.18392	0.1
121.02855	1.6
127.03858	0.1
129.05478	1.6
133.02794	0.4
137.02298	1.6
145.04997	0.2
147.04402	0.1
147.06447	0.5
149.02351	1.1
151.85742	0.1
153.05424	0.2
163.05940	0.2
167.03383	0.2
169.06488	0.3
171.06482	0.2
178.29120	0.1
197.05963	0.8
215.07048	0.6
225.05446	0.4
239.09192	0.3
242.05766	0.4
243.06453	0.4
245.37703	0.1
253.04869	0.2
267.44019	0.1
271.05975	100.0
272.06317	2.7
275.11526	0.2
295.31235	0.1
303.04974	0.1
341.87546	0.1
433.11267	27.0
434.11447	0.8
535.97900	0.1
595.16461	4.5
596.16614	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	887.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.7
67.22537	0.1
68.99794	0.4
69.03425	0.7
70.68723	0.1
71.01350	0.2
71.04987	8.1
73.02912	0.9
75.04478	0.4
79.05489	0.2
81.03399	0.4
83.04972	2.0
85.02898	10.0
87.04456	0.3
91.05476	4.7
91.31852	0.1
95.04963	0.3
96.95442	0.1
97.02895	0.4
97.06510	0.2
99.04447	0.5
105.03360	0.2
107.04930	0.4
109.02870	0.3
111.00806	0.4
111.04439	1.8
113.06001	0.3
117.05485	0.3
119.04931	11.1
120.05330	0.1
121.02859	2.0
127.03923	0.4
129.05470	2.7
133.02797	0.4
135.04413	0.1
137.02336	0.5
137.05920	0.1
147.04396	48.6
148.04669	0.7
149.06000	0.2
153.01807	2.6
153.05461	0.5
157.06482	0.3
159.06516	0.2
161.05939	0.2
163.05988	0.4
165.01825	1.2
165.05489	0.8
169.06396	0.2
171.04451	0.2
171.06519	0.3
173.05998	0.3
177.05356	0.2
183.02863	0.6
185.05991	0.5
187.07477	0.2
189.05508	0.2
201.05573	0.2
203.06989	0.2
213.05499	1.2
231.06462	0.9
239.09177	0.6
241.04936	0.6
243.06653	0.2
257.07953	0.2
257.10358	0.2
258.05231	1.0
259.05988	0.4
269.04568	0.2
275.08902	0.9
275.11636	0.3
287.05469	100.0
288.05823	1.9
291.08658	1.3
293.09964	0.8
299.05518	0.2
309.09708	1.9
329.06482	0.7
397.09119	0.3
415.10458	0.2
415.17804	0.2
433.11267	0.6
487.73138	0.1
562.12665	0.1
577.13525	0.2
595.14771	0.2
733.23907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.2
65.03941	0.5
67.05489	0.3
68.99783	0.5
69.03426	1.1
69.34544	0.3
69.34949	1.6
71.01361	0.4
71.04990	11.6
73.02905	0.9
75.04495	0.8
75.46941	0.2
79.05476	0.3
81.03421	0.9
83.04974	4.3
85.02900	20.0
87.04470	0.4
91.05473	4.4
91.06016	0.4
95.04970	0.9
96.96132	0.2
97.02899	1.5
98.20782	0.3
99.04447	0.6
101.99924	0.1
105.03385	0.3
107.04937	0.7
109.02847	1.2
111.00786	0.7
111.04436	3.7
113.05978	0.4
117.05499	0.3
119.04935	10.5
121.02857	2.7
123.04386	0.2
125.01463	0.2
125.05904	0.2
127.03915	1.5
129.05469	4.0
133.02823	0.4
133.06461	0.2
137.02342	0.5
145.04898	0.8
147.04401	50.4
147.06429	1.6
148.04762	0.6
152.32394	0.2
153.01816	3.1
153.05431	1.1
157.04976	0.4
157.06406	0.3
159.06491	0.2
161.05919	0.3
163.06000	0.5
165.01849	1.7
165.05487	1.5
171.04434	0.2
171.06473	0.7
175.07433	0.2
183.02907	0.8
185.05988	0.4
189.05472	0.3
201.07471	0.2
203.03250	0.2
203.07027	0.4
213.05563	1.1
213.07449	0.3
231.06506	0.5
239.09161	1.2
241.04858	0.9
258.05276	1.0
259.06070	0.3
275.08829	0.4
275.11420	0.4
276.68655	0.2
287.05478	100.0
288.05838	1.3
291.08517	0.4
293.09854	0.3
299.05524	1.3
309.09683	2.6
311.05151	0.2
318.92871	0.2
325.07043	0.2
329.06421	0.7
353.06396	0.4
365.06531	0.3
383.07751	0.3
395.07758	0.4
397.09204	0.3
413.08591	0.3
415.10303	0.3
433.11288	0.3
446.90369	0.2
449.11325	0.2
455.15622	0.3
577.13446	0.2
595.14362	2.1
601.21454	0.2
833.70319	0.2
867.94122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58454	2.1
67.05492	13.4
69.07073	11.7
69.55975	6.2
69.56393	13.7
71.08635	12.4
75.89144	2.1
79.05502	7.3
81.07053	35.9
83.04981	4.7
83.08614	6.7
84.46717	2.2
85.02906	6.3
85.10189	9.9
91.03963	2.6
91.05486	10.6
93.07040	7.0
95.04967	2.4
95.08597	21.5
97.02910	2.8
97.06535	4.0
97.10163	5.1
105.07026	14.7
107.08599	3.8
109.10203	7.3
119.08578	13.5
121.10140	8.0
123.11740	15.5
133.10072	2.5
147.11682	32.8
165.12753	9.0
192.23706	2.3
204.67355	3.0
226.67371	2.4
267.15958	47.2
285.16965	39.1
313.27350	100.0
462.07956	2.5
523.40002	64.8
912.84601	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	887.2591
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
61.96979	0.1
65.03934	0.4
68.99786	0.4
69.03427	0.6
71.01353	0.2
71.04987	8.4
72.05300	0.1
73.02896	0.5
75.04472	0.4
79.05482	0.2
81.03426	0.4
81.07033	0.1
83.04975	2.4
85.02901	10.9
87.04478	0.3
91.05474	3.2
95.04945	0.6
97.02872	0.8
97.06509	0.2
98.20677	0.1
99.04446	0.5
101.06006	0.2
103.05463	1.7
105.03402	0.2
107.04949	0.4
109.02872	0.4
111.00801	0.6
111.04430	1.8
111.74554	0.1
113.06001	0.2
117.05472	0.4
119.04935	8.9
121.02865	2.2
121.06529	0.2
123.04372	0.1
125.05958	0.1
127.03886	0.8
129.05466	2.9
131.04918	4.1
133.02876	0.2
135.04385	0.2
137.02306	0.7
141.06995	0.1
143.38696	0.1
145.04951	0.1
145.06499	0.2
147.04398	45.2
148.04701	0.6
149.05980	0.4
153.01814	2.6
153.05478	0.6
157.05032	0.1
157.06505	0.4
161.06017	0.2
163.05995	0.5
165.01843	1.4
165.05467	1.7
169.06483	0.1
171.04416	0.2
171.06561	0.2
173.05898	0.1
183.02876	0.7
185.06021	0.4
201.07672	0.1
203.07007	0.2
207.38994	0.1
213.05501	1.0
219.44644	0.1
231.06454	0.8
239.09120	0.5
241.04982	0.6
243.06564	0.1
257.10208	0.2
258.05276	0.9
259.06012	0.4
269.04288	0.2
275.08990	0.2
286.04663	0.3
287.05472	100.0
287.62662	0.1
288.05804	2.4
291.08496	0.7
293.10187	0.7
299.05542	0.3
299.70987	0.1
309.09628	1.7
325.07117	0.1
329.06595	0.6
353.06711	0.2
379.07996	0.2
397.09308	0.3
399.72772	0.1
433.11124	0.5
449.10776	2.1
455.15363	0.1
577.13226	0.4
595.14288	0.2
723.18298	0.2
755.39075	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	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.3
67.05501	18.3
68.51102	1.2
69.03423	1.6
69.07064	9.5
71.04982	1.8
71.08626	17.0
71.12924	2.5
71.47421	1.1
73.02893	2.7
79.05483	9.6
81.03426	1.6
81.07052	53.2
82.15297	1.1
83.04967	4.1
83.08621	8.1
85.02917	9.0
85.06561	2.2
85.10181	10.1
86.01628	1.0
91.03979	6.0
91.05475	14.6
93.07024	5.9
95.04976	1.5
95.08602	26.4
96.08987	1.1
96.73364	1.2
97.02891	4.4
97.06515	3.7
97.10157	4.3
99.08079	1.6
105.07025	21.3
107.08589	6.4
109.06515	4.0
109.10170	7.7
119.08574	16.4
121.10136	13.6
123.08086	2.6
123.11695	21.8
127.03898	3.2
127.07560	2.1
133.10085	1.8
137.13242	3.1
145.04974	2.6
147.11679	49.3
157.10136	1.6
157.99104	1.0
163.05962	3.3
165.12750	18.7
175.11163	2.5
183.13763	2.4
193.12109	1.2
229.14407	4.4
239.23773	1.5
255.11476	1.3
257.24661	1.2
267.15912	80.6
268.16327	1.2
285.16946	88.7
286.17368	1.2
313.27347	92.3
314.27737	1.4
331.28351	1.2
371.29214	1.3
523.39923	100.0
524.40051	3.9
606.28491	2.2
616.69373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	9.6
66.73769	2.3
67.05502	100.0
69.03429	5.8
69.07056	20.7
70.06615	3.0
71.04968	4.2
79.05481	27.2
81.03408	9.1
81.07055	40.3
83.04992	3.9
83.08624	9.9
85.02910	11.4
85.06543	4.8
91.03944	5.3
91.05472	27.9
93.07047	30.0
95.04981	7.9
95.08597	17.6
97.02877	7.4
97.06523	8.3
97.10170	9.3
98.20702	5.9
99.08114	2.6
103.03936	2.9
105.07028	28.1
107.04925	5.3
107.08573	25.6
109.10149	80.9
110.90966	3.0
111.08070	4.9
117.07028	9.1
119.08596	17.6
121.06483	3.5
121.10149	9.7
123.11691	4.4
125.09630	7.7
127.03919	3.3
128.77156	2.4
129.07037	3.2
131.08575	7.5
133.10156	14.0
135.08029	3.8
135.11697	9.5
137.09587	4.1
143.08583	3.2
145.10207	13.0
147.04352	2.5
147.11679	12.4
149.09607	8.4
149.13306	4.0
151.11183	2.9
159.11711	7.3
161.13263	5.2
163.11053	4.6
166.53505	2.5
171.11584	3.9
173.11754	22.6
173.13177	5.3
177.12709	4.5
184.07339	3.8
186.40866	3.1
189.11174	8.1
195.13802	3.1
220.18628	3.2
227.12756	26.1
229.14328	89.0
229.16566	5.2
239.18002	3.1
255.15831	4.4
256.15402	4.0
257.18927	7.6
258.82025	2.6
259.20660	3.4
268.05103	2.5
269.17432	6.4
271.56760	2.5
275.20013	26.8
331.22568	4.3
349.23734	27.8
383.24420	7.6
399.23782	5.4
409.25827	14.9
423.27438	59.5
466.71222	2.7
503.33627	65.4
519.89227	3.0
521.34662	6.5
567.31793	5.8
647.39246	3.1
665.38623	3.1
703.98035	2.8
718.42419	5.4
722.36627	3.5
880.51276	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	879.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.3
65.03941	0.6
67.05501	11.7
69.03426	3.6
69.07063	5.2
71.01360	1.0
71.04987	2.9
71.57894	0.9
73.02905	3.6
79.05478	4.7
81.03429	2.4
81.07048	7.5
83.04977	1.3
83.08608	2.2
84.75276	0.5
85.02904	8.4
91.03962	2.3
91.05479	3.7
93.07030	5.3
95.04990	1.8
95.08598	4.8
97.02873	4.4
97.10178	1.5
99.04462	1.4
101.02380	2.3
105.07006	3.9
105.95236	0.6
107.04987	0.9
107.08575	4.5
109.02903	0.6
109.10157	7.4
110.07165	1.1
110.10539	0.9
111.08097	0.7
117.07076	1.1
119.08560	3.7
121.10144	2.7
123.11726	1.0
125.09647	1.8
127.03952	1.3
129.05527	0.6
131.08607	1.1
133.10121	3.2
135.08064	0.8
135.11697	1.5
136.06218	0.6
141.01828	0.6
145.04979	2.3
145.10149	1.9
147.11719	2.1
149.13339	1.6
159.11784	1.2
161.13274	1.2
173.11751	1.7
173.13174	1.2
175.15016	0.5
177.16431	0.8
184.07431	0.8
185.04230	0.7
185.13237	0.8
189.16420	1.4
191.17995	1.6
201.16490	1.3
203.17973	1.9
205.19536	1.0
207.47798	0.5
215.18054	0.7
217.19579	0.9
229.14357	2.6
230.14737	1.4
243.08340	3.3
273.18631	0.8
275.20190	0.7
291.19504	3.4
292.20087	1.8
300.76044	0.5
333.20361	1.0
351.21530	1.7
365.23322	1.0
366.23755	1.6
407.36847	1.8
409.37741	0.9
439.19638	0.7
453.21262	0.7
497.10593	0.6
519.33374	2.9
520.33374	4.7
551.28229	5.3
569.29236	6.2
697.99622	0.6
743.39960	0.7
781.42664	0.6
879.50671	100.0
880.51282	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	875.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92781	0.3
64.85310	0.3
65.84003	0.3
67.05498	0.4
69.03419	1.3
71.01326	0.3
71.04988	9.4
71.78468	0.3
72.08160	0.3
73.02910	1.0
75.04476	0.5
76.02229	2.0
79.05481	1.0
81.03401	1.3
81.07033	0.6
83.04980	3.7
84.04492	0.6
85.02898	15.2
88.50097	0.3
91.05476	0.8
93.03386	0.5
93.07026	0.6
95.04958	2.4
95.08578	0.3
97.02893	3.9
97.06515	0.5
99.04429	0.8
103.05437	0.5
105.03387	13.3
107.04933	0.5
109.02857	0.8
109.06533	0.3
111.04429	1.8
114.69961	0.3
116.01676	0.5
117.03345	0.4
117.07017	0.4
119.04985	0.4
121.02872	1.0
121.06532	0.4
123.04433	2.5
125.05971	0.6
127.03904	2.3
129.05482	3.1
131.04932	0.9
133.02873	0.4
133.06432	0.5
137.05988	2.3
139.03883	0.8
144.01140	0.5
145.02826	0.8
145.04921	0.7
145.10120	0.6
147.04305	0.4
147.06439	0.6
148.02928	0.3
151.03880	2.7
151.07581	0.4
153.01816	4.2
153.05441	0.5
162.02209	0.7
163.07478	0.7
165.01851	0.5
167.07016	0.9
175.07465	0.4
177.05457	2.0
179.04802	1.4
180.05055	0.3
181.04976	0.5
188.12448	0.3
191.07030	1.9
192.07333	0.4
193.03166	0.3
201.05463	0.6
215.10565	0.5
217.05031	0.5
228.04161	0.7
229.04935	2.0
231.02837	0.4
233.11748	0.4
239.09134	1.1
245.04410	0.5
246.05273	1.1
249.07574	0.7
256.03677	0.4
257.04523	1.7
267.08640	2.4
271.06226	0.3
273.03918	0.9
274.04736	2.6
275.11288	0.5
284.02847	0.3
285.03931	3.3
287.05557	0.7
302.04184	10.8
308.09009	1.9
309.09415	1.0
317.06540	100.0
318.06958	2.1
319.17557	0.4
329.06473	0.6
359.07697	0.7
387.14581	0.4
389.13742	0.3
427.10172	0.4
445.11246	0.6
463.12305	0.7
583.14783	0.4
624.83917	0.3
742.35437	0.3
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
61.02916	2.5
62.03408	2.3
65.03907	2.4
67.05501	100.0
69.03423	7.9
69.07061	35.1
71.04988	8.7
75.04463	2.4
79.05488	59.3
81.03415	10.8
81.06580	4.4
81.07052	85.9
81.07529	4.8
82.64129	2.5
83.04984	12.1
83.08614	22.2
85.02897	11.1
85.06519	7.7
86.09700	2.6
86.58462	2.5
91.05478	46.9
93.06468	4.6
93.07033	59.2
95.04969	15.4
95.08599	43.4
97.02884	3.9
97.06524	17.0
97.10165	17.9
98.21472	4.5
101.02367	2.8
105.07024	37.0
107.04961	12.2
107.08589	49.7
109.06512	10.7
109.10148	48.5
111.08080	8.1
113.09653	2.5
117.07001	17.5
119.08588	34.8
121.06504	6.8
121.10129	21.5
123.08067	5.9
123.11710	7.2
125.09634	12.2
129.05568	2.5
129.06998	7.9
131.08556	25.9
133.10118	30.5
135.08054	8.8
135.11685	17.4
136.06210	7.4
137.09622	5.3
141.06996	2.9
143.08572	9.4
144.09317	3.3
145.04942	4.1
145.10112	21.8
147.11697	16.9
149.09633	18.7
149.13258	14.2
155.08473	3.2
157.10135	8.1
159.11691	16.9
161.09537	3.0
161.13226	5.8
163.11185	6.0
169.10121	5.0
171.11699	7.1
173.11728	7.0
173.13287	5.7
177.12666	4.3
183.11716	4.0
184.07350	6.5
187.11246	2.4
189.11241	6.4
189.16385	4.2
195.13812	3.8
197.13255	4.0
199.14766	2.4
201.16219	2.8
227.12770	17.7
229.14322	31.0
229.19429	3.3
233.15414	2.4
239.17995	4.2
255.16060	5.4
257.18991	10.0
269.17435	30.4
275.20062	50.2
290.99847	2.2
293.21149	4.7
331.22586	6.1
349.23688	45.1
367.24792	9.7
394.86200	2.2
399.23962	2.7
409.25925	6.0
413.22171	2.9
423.27457	21.7
445.29172	4.1
449.28976	9.4
463.30508	26.2
503.26941	2.8
503.33719	20.7
521.34552	3.6
525.35712	5.5
529.35181	2.9
543.36658	38.1
561.37720	10.8
567.30750	2.9
607.34454	4.0
623.42932	11.0
641.44183	11.1
659.45416	3.1
790.42871	2.4
874.46814	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	873.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.0
63.56733	1.7
65.03941	2.7
67.05504	27.0
69.03434	2.1
69.07075	9.5
70.02953	9.0
70.06595	6.6
71.57270	2.7
71.57658	2.1
72.04519	21.9
73.02915	4.3
74.02415	2.6
74.06055	1.8
79.05504	19.4
80.05014	3.1
81.00356	1.9
81.03402	3.8
81.07050	25.5
82.02931	21.8
83.04991	2.4
83.08609	6.9
84.04499	26.3
85.02899	25.2
86.02424	4.4
86.06071	8.3
87.05584	28.3
88.03994	2.3
91.03948	3.1
91.05459	16.2
92.05007	7.3
93.07035	21.3
94.06574	4.1
95.04940	4.0
95.08606	14.5
96.04493	20.3
97.02879	4.9
97.06531	4.6
97.10155	3.9
98.06065	6.9
98.10461	1.7
99.00831	2.5
99.05560	2.5
100.03963	21.2
101.07121	5.3
102.05541	10.6
105.07050	10.5
106.06564	6.3
106.07295	1.9
107.08567	9.3
109.10155	8.8
110.02393	4.9
110.06032	1.8
111.05717	1.7
112.03966	4.7
113.07104	3.3
114.05534	14.4
117.05756	3.8
117.07074	2.3
118.06540	28.8
119.07327	2.6
119.08588	7.7
120.08147	2.3
121.10129	9.1
124.03936	11.0
126.05508	3.0
128.03436	23.9
130.04034	4.1
130.04997	60.4
130.06502	2.9
131.08536	3.8
132.08084	3.8
133.06099	13.2
133.10127	5.8
135.08076	2.1
135.11687	5.2
136.03951	3.0
141.06609	5.6
142.04999	20.8
145.06070	10.8
145.10103	2.6
145.75343	1.8
149.09531	2.9
154.04907	3.9
156.02881	5.5
159.07658	6.2
166.12186	2.4
170.04482	12.6
182.04539	2.0
187.07140	87.1
194.11789	3.1
202.15913	8.5
206.11748	3.1
208.13298	2.9
210.14902	4.5
217.08185	2.2
230.15392	100.0
236.12819	3.7
248.16449	4.1
251.14018	2.2
254.13910	11.9
296.15088	2.1
297.14313	2.4
304.19058	13.5
310.16656	4.4
322.19968	12.9
328.17194	2.8
335.25739	15.4
359.19699	3.6
377.20471	3.7
391.20462	2.1
564.40558	3.9
582.41473	49.8
588.39996	3.1
621.41309	4.1
649.40338	5.2
650.40887	5.9
667.41553	27.0
693.44366	9.7
711.45404	75.5
744.47217	12.7
873.50482	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
63.60701	2.6
65.03912	2.3
67.05504	36.0
68.05021	3.6
69.03421	4.9
69.07058	8.6
70.02953	19.2
70.06585	5.4
70.11179	6.7
71.04974	2.3
72.04517	29.0
74.02440	3.9
79.04578	2.8
79.05029	4.8
79.05489	25.9
80.05019	3.9
81.03418	6.7
81.07057	32.0
82.02931	22.7
83.08612	6.7
84.04509	24.5
85.02912	4.9
86.02440	3.8
87.05585	37.9
88.03993	5.8
91.05470	19.9
93.07034	24.9
94.06561	2.8
95.04971	8.2
95.08597	25.7
96.04484	26.3
96.08105	2.3
97.02902	3.7
97.06525	10.0
97.10173	5.0
98.06075	5.7
98.21526	2.1
99.00799	4.4
100.03973	18.3
101.07142	6.7
102.05527	2.5
105.07010	12.8
107.04961	4.3
107.08572	12.8
108.04498	2.5
109.06570	2.7
109.10141	14.6
110.02399	6.4
110.06008	5.6
111.08060	2.7
112.03973	2.8
113.07124	5.6
114.01926	2.3
114.05534	19.3
116.03458	2.5
117.07067	2.6
119.08539	10.4
121.06525	3.6
121.10146	15.2
123.08106	3.2
123.11677	2.4
124.03936	14.8
124.11285	2.2
125.09524	2.1
126.05504	4.5
127.08636	3.1
128.03429	24.9
129.07050	3.0
130.05063	3.0
131.08572	6.8
133.06070	23.2
133.10121	8.3
135.11734	7.3
141.06602	8.4
142.04979	17.5
145.06131	9.8
145.10081	6.5
147.11633	3.9
149.09633	6.8
150.09143	2.4
154.04997	3.1
156.02922	6.4
157.10025	2.3
159.07681	7.4
159.11725	2.5
163.11198	8.4
165.12799	2.0
166.12326	3.9
170.04507	10.0
173.09523	2.3
178.12337	2.8
180.13820	4.4
182.15613	2.2
184.13310	2.5
187.07121	100.0
190.12279	2.4
192.13921	2.5
194.11758	13.4
199.07175	2.6
206.11789	3.9
206.15216	2.8
208.13376	7.6
210.14914	5.5
212.12804	3.0
226.14308	3.8
227.12755	5.0
232.13211	3.8
234.14871	11.2
236.12830	9.5
250.14372	2.4
251.13957	3.3
252.16052	4.2
253.15129	2.3
254.13893	28.1
260.12814	14.0
268.15793	2.2
278.13843	12.9
280.11713	3.5
296.14911	22.5
310.16479	5.3
314.16031	5.7
328.17502	4.8
335.25800	25.9
348.60431	2.6
354.15344	4.1
370.18472	3.5
384.81458	2.3
391.20767	2.8
396.87372	2.6
403.35193	2.1
415.20685	8.3
433.21799	5.9
451.23026	4.2
588.41333	3.0
621.40820	8.8
633.40894	3.1
649.40851	6.6
650.40948	6.2
651.41632	4.9
667.41632	24.2
675.41449	4.8
693.43250	22.1
711.44165	77.4
873.58313	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	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.8
65.03930	5.9
67.05502	98.4
68.16027	2.4
69.03447	11.9
69.06728	4.1
69.07063	60.4
71.05002	14.1
71.58054	5.1
77.03945	2.7
79.05487	82.5
81.03418	21.7
81.07048	100.0
83.04963	12.2
83.08614	21.3
84.04498	5.5
85.02907	6.4
85.06538	5.4
91.05476	66.5
93.07034	69.7
95.04970	28.6
95.08595	43.7
97.02876	11.8
97.06525	57.3
97.10175	17.1
98.13491	2.4
99.08079	7.3
103.05476	4.2
105.07024	61.1
107.04948	16.9
107.08588	50.7
107.72638	2.7
109.02914	3.7
109.06512	23.4
109.10154	34.0
111.08058	11.8
115.05444	7.0
115.07559	9.6
117.07003	22.3
119.04844	2.6
119.08572	40.8
121.06497	11.7
121.10116	22.4
123.08052	10.4
123.11697	7.7
125.09596	14.9
127.03903	5.3
128.06190	4.2
129.06993	12.0
130.05026	7.2
131.08548	33.5
133.06453	6.9
133.10130	39.2
135.08047	14.4
135.11697	16.9
137.09676	4.4
139.11128	4.4
141.06956	4.0
143.08572	14.3
145.06474	4.6
145.10094	22.8
147.07849	12.3
147.11652	14.6
149.09575	15.1
149.13240	10.7
151.11148	10.0
153.09174	2.5
155.08487	5.3
157.10098	10.7
159.08026	5.1
159.11693	17.9
161.09575	11.2
161.13260	9.0
163.11166	9.3
165.09167	2.5
169.10136	6.2
171.11679	9.3
173.09590	4.3
173.11743	5.3
173.13234	6.3
175.11179	7.0
177.12712	5.2
179.10764	2.9
183.11623	4.8
184.07277	4.5
185.13246	6.4
187.11176	6.2
187.14784	3.0
189.11246	8.8
189.12819	4.0
193.12309	3.6
195.11778	3.2
195.13696	6.7
196.33463	2.8
199.14725	3.8
201.12793	3.1
203.14398	3.3
213.16499	3.4
217.15891	4.7
221.15164	3.3
223.13225	5.3
227.12773	14.9
227.64024	2.8
229.14365	9.2
232.35585	3.1
233.15495	3.7
245.18980	6.8
253.14346	13.9
257.18979	7.2
267.15839	5.4
269.17514	21.7
273.18454	35.0
275.20035	30.7
289.17770	2.6
291.19528	44.3
293.21051	2.7
309.20621	4.4
335.25967	4.3
344.22110	2.9
347.22119	10.5
349.23645	22.9
365.23251	24.9
367.24509	4.5
439.26764	3.0
449.28799	3.4
519.33105	25.7
528.37482	3.2
541.34717	3.9
543.36536	9.5
545.34839	3.4
559.36255	23.6
639.42743	15.0
657.43445	9.8
872.51727	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.7
62.47794	0.6
67.05499	5.3
69.03422	2.7
69.07066	2.5
73.02906	2.7
78.77998	0.6
79.05483	4.4
81.03415	1.4
81.07056	5.9
81.41854	0.6
83.08613	0.7
85.02903	3.5
91.03952	2.3
91.05476	4.2
93.07024	6.0
95.04997	0.9
95.08625	2.3
97.02895	3.5
97.06509	0.7
97.10153	0.7
101.02384	1.5
105.07036	3.3
107.08589	2.9
109.02882	1.0
109.06537	0.9
109.10159	1.5
117.06991	0.8
119.08602	2.3
121.10164	1.4
124.04973	0.6
127.03916	1.3
131.08592	1.8
133.10156	2.3
135.11726	0.9
145.05011	0.8
145.10141	0.7
147.11693	1.2
159.11684	0.7
161.13213	1.0
184.07402	1.7
213.52036	0.6
221.13034	0.6
229.45982	0.9
243.08481	2.4
301.09009	1.3
351.21399	2.7
353.56238	0.7
453.70734	0.6
465.20737	1.0
535.28815	6.8
541.22021	0.7
554.28516	0.7
569.29230	6.6
616.85852	0.7
641.31500	1.2
778.08185	0.8
863.51172	100.0
864.51697	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	861.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.9
67.05504	5.1
69.03419	2.8
69.07062	3.4
70.09305	0.9
70.09696	0.8
71.01336	0.5
71.04979	0.7
73.02931	2.9
79.05479	4.1
79.05833	0.3
81.03410	2.5
81.07055	4.7
83.04970	0.9
83.08612	1.1
85.02889	3.7
86.09739	0.5
91.03937	2.1
91.05473	4.6
93.07024	3.4
95.04984	1.4
95.08604	3.0
97.02879	3.0
97.10213	0.9
101.01228	0.4
101.02396	1.6
105.07018	2.8
107.04990	0.5
107.08623	1.8
109.02888	0.5
109.06495	0.5
109.10158	1.0
117.07033	1.3
119.08579	2.0
121.10154	1.2
125.09650	0.7
127.03930	0.9
129.07043	0.7
131.08606	1.3
133.10178	1.4
135.11716	1.1
136.06177	18.9
137.04630	0.8
137.06546	1.7
145.10207	0.5
147.11723	0.8
152.05716	1.1
157.10101	0.6
157.49237	0.6
184.07413	0.5
185.04214	0.8
222.29518	0.4
243.08403	3.5
301.09122	0.6
313.09055	0.7
315.41235	0.4
333.20358	2.5
335.25940	1.1
389.23087	0.6
439.19531	1.1
453.21237	1.0
459.86435	0.4
469.20697	0.6
551.28241	11.6
568.65674	0.4
623.30603	1.1
681.44171	1.1
682.44952	0.6
699.45013	1.9
763.42487	0.8
861.49579	100.0
862.50018	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	861.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.1
65.03919	0.1
67.01830	0.1
68.99484	0.1
68.99799	0.2
69.03425	0.6
69.10851	0.1
71.04987	5.9
75.04474	0.3
77.03905	0.2
79.05489	0.9
79.88411	0.1
81.03403	1.1
83.04976	0.4
85.02895	8.5
86.59142	0.1
87.04462	0.2
95.04955	1.9
95.31090	0.1
97.02882	5.2
99.04452	0.3
105.03379	15.6
105.04520	0.5
106.03741	0.1
106.88541	0.1
107.04933	0.2
109.02852	0.6
111.00822	0.6
111.04437	0.4
121.02855	2.0
123.04424	1.9
127.03893	1.7
129.05463	1.5
133.02840	0.5
137.02324	0.5
137.05957	0.1
145.04951	0.5
145.06451	0.2
147.04399	0.5
147.06488	0.3
153.01805	2.4
157.06535	0.2
165.01822	1.3
167.06982	0.3
171.04356	0.1
177.34645	0.1
181.04893	0.2
183.02879	0.6
185.06000	0.4
189.05382	0.1
197.05957	0.1
207.06616	0.1
213.05403	0.9
230.22357	0.1
231.06546	0.6
241.04915	0.6
249.07562	0.8
257.04471	0.1
258.05188	0.8
259.05963	0.3
267.08658	1.2
269.04468	0.2
286.04514	0.2
287.05463	100.0
288.05807	2.0
299.05597	0.1
329.06543	0.3
393.95663	0.1
395.07248	0.1
449.10754	15.0
450.10822	0.5
457.82666	0.1
625.81635	0.1
697.16937	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	860.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.3
65.03934	0.3
67.05128	0.3
67.05502	4.7
69.03431	1.1
69.07059	1.0
71.04985	0.3
71.18575	0.5
72.04515	0.4
73.02907	0.8
79.05490	3.9
79.28133	0.2
81.03416	6.7
81.07048	3.4
83.04949	0.6
83.08610	1.5
85.02896	1.3
86.09696	0.5
91.03929	1.0
91.05478	3.4
93.07040	3.4
95.04958	2.1
95.08602	2.4
97.02891	1.4
97.06524	0.3
105.07031	1.9
107.08582	1.5
109.06480	0.5
109.10170	0.9
111.08064	0.8
115.05437	0.3
117.07001	0.6
118.06526	0.6
119.03561	0.9
119.08578	2.0
121.10156	1.3
123.11687	0.4
123.90101	0.2
124.99999	0.5
129.07016	0.8
131.08554	1.1
133.10118	0.9
135.11684	0.9
136.06178	100.0
137.04597	1.4
137.06528	0.8
145.05029	0.2
145.10110	0.5
147.08023	0.5
147.11673	1.0
149.09590	0.5
149.13260	0.3
152.05670	0.9
157.10106	0.9
173.13319	0.3
174.07794	0.2
175.11151	0.7
178.07193	0.4
182.34090	0.2
184.07343	2.5
192.08864	0.3
193.12250	2.0
211.13109	0.3
218.35063	0.2
230.15379	1.3
231.15688	0.3
248.16367	0.3
261.22162	0.8
267.15903	4.6
318.52576	0.2
319.20209	0.5
320.20499	0.4
331.08310	0.3
335.25787	3.6
346.18872	0.9
420.22446	1.1
438.23734	0.3
527.37286	0.8
545.38318	0.5
680.43866	4.8
697.44342	0.5
698.44788	15.4
699.44745	0.7
775.55597	0.2
842.49158	1.9
860.49854	5.0
861.49695	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	860.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.2
63.83190	0.1
65.03938	0.2
67.05164	0.2
67.05500	2.8
68.42226	0.1
69.03420	0.6
69.07062	0.8
70.48814	0.5
73.02903	0.5
73.75448	0.2
79.05073	0.2
79.05493	2.3
81.03414	5.1
81.07051	2.7
83.04956	0.2
83.08630	1.2
85.02906	1.0
86.09709	0.2
91.03937	0.5
91.05481	2.2
92.02486	0.2
93.07042	2.6
95.04961	1.6
95.08605	1.7
97.02886	0.9
97.06499	0.3
99.51594	0.1
100.02175	0.2
101.02335	0.2
105.07018	1.2
107.04903	0.1
107.08599	1.0
107.86227	0.1
107.87006	0.1
108.08166	0.1
109.06517	0.2
109.10153	0.5
111.08063	0.4
117.07027	0.5
119.03528	0.9
119.08575	1.3
121.06473	0.2
121.10141	1.1
123.11691	0.3
127.03866	0.2
129.06996	0.5
131.08569	1.1
133.10168	0.7
135.11707	0.5
136.06178	100.0
137.04602	1.6
137.06517	0.6
142.07761	0.2
145.10123	0.4
147.08055	0.2
147.11671	0.6
149.09662	0.3
149.13214	0.2
152.05666	3.0
153.04102	0.4
157.10130	0.6
159.11737	0.2
173.13245	0.3
175.11192	0.5
178.07222	0.3
184.07295	0.9
193.12216	1.4
227.12946	0.2
261.22095	0.6
267.15900	4.1
268.16187	0.2
298.11487	0.2
335.25784	2.8
346.18832	0.5
418.71854	0.2
420.22632	0.4
527.37268	1.1
545.38300	0.6
680.43768	1.9
698.44885	4.7
699.44751	0.3
842.48785	0.8
860.48981	2.9
861.49884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	1.2
64.37833	0.4
65.03922	0.7
67.05505	6.8
69.03393	1.4
69.07029	1.6
69.55908	2.9
72.04511	24.3
73.02883	1.3
79.05081	0.3
79.05487	4.6
81.03403	0.6
81.06658	0.4
81.07043	4.7
83.08595	0.6
85.02854	1.4
85.03310	0.3
91.03912	0.4
91.04990	0.3
91.05474	4.4
92.04489	0.4
92.05002	7.0
93.05749	1.2
93.07040	3.7
94.06519	1.3
95.04929	1.1
95.08628	3.7
97.02863	1.4
97.10114	0.4
98.02389	0.4
105.06989	1.5
106.06537	2.8
107.08553	1.5
107.95279	0.4
109.10162	2.2
117.05724	2.6
117.06993	0.6
118.06534	26.4
119.07366	2.6
119.08533	0.9
120.08101	2.0
121.10082	0.9
123.11647	0.4
129.06950	0.9
130.06528	2.6
131.07272	3.4
131.08324	0.6
132.08089	3.4
133.08798	0.4
133.10149	0.8
134.09586	0.9
135.11717	0.4
136.06137	1.6
144.08061	5.4
145.08781	1.7
145.09930	0.7
146.09648	2.2
147.11626	0.4
148.11299	0.4
158.09665	0.7
160.11198	1.3
184.07277	0.4
189.10237	4.8
190.11018	0.9
202.15901	8.7
203.11815	0.9
215.08173	1.0
218.15355	1.2
221.08012	0.3
230.15387	81.8
231.15805	1.7
248.16460	18.1
256.16962	3.9
271.29977	0.3
272.16394	0.8
274.18030	9.7
283.18106	0.7
284.16531	0.6
286.18228	0.5
288.19797	0.6
289.19211	0.8
299.17542	1.5
300.15857	4.7
301.15823	0.6
301.19089	8.2
303.37473	0.4
304.19070	5.2
317.18634	1.5
318.17166	1.0
319.20139	38.5
320.20569	1.7
322.20139	3.7
327.17020	7.1
328.15311	3.4
330.20557	1.0
335.25696	2.5
345.18076	21.9
346.16275	2.8
348.21658	1.5
359.23270	1.6
363.19104	8.1
374.19580	0.6
375.22748	8.7
393.23801	9.1
394.23688	0.4
401.20932	0.4
419.21738	4.4
420.20090	3.4
437.22870	6.4
537.28223	1.3
564.40564	0.5
582.41382	0.6
599.28229	1.1
608.43048	1.0
635.44189	4.1
653.45178	15.3
654.45483	1.2
679.43115	19.6
680.41925	4.8
697.44159	100.0
698.44531	6.4
815.50549	9.3
816.50177	0.6
842.46259	3.0
859.49176	23.4
860.49744	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4807
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02919	3.5
67.05500	7.0
69.03422	3.0
69.07067	4.7
71.58501	0.8
73.02921	2.9
75.10456	0.5
79.05492	6.4
81.03423	2.5
81.07050	7.7
82.07380	0.5
83.04990	1.3
83.08624	1.7
85.02449	0.6
85.02895	3.6
85.06574	0.5
91.03964	1.6
91.05469	3.3
93.07047	5.4
95.04990	1.6
95.08601	3.5
97.02896	4.0
97.06552	1.4
97.10180	1.7
99.04477	0.8
99.08116	0.5
101.02391	1.4
105.07047	3.6
107.04966	1.0
107.08592	3.7
109.06514	1.1
109.10178	2.2
117.07058	1.4
119.08604	2.2
121.10138	1.5
123.08087	0.9
125.09615	0.8
131.08575	1.9
133.10161	1.7
135.11658	0.9
145.10162	0.9
147.11771	0.6
149.13249	0.6
160.12132	0.5
161.13269	0.5
185.04176	0.5
193.38997	0.6
216.47845	0.6
223.13266	1.4
230.15468	0.8
237.83087	0.6
237.85928	0.6
243.08377	4.2
269.17517	0.8
291.19559	0.9
301.08914	1.0
331.18872	1.2
333.20209	1.3
335.26038	1.6
336.26242	0.8
344.22455	0.6
407.43799	0.6
453.21283	0.7
469.20477	0.6
549.26758	6.5
551.28088	7.0
644.46362	0.9
671.46057	0.6
704.52869	0.6
859.47998	100.0
860.48163	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	859.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34403	0.4
61.02890	0.7
65.03930	0.7
67.05500	6.5
69.03403	0.9
69.07069	1.8
72.04507	26.1
73.02880	0.9
79.05495	3.3
81.03390	0.9
81.07056	4.5
82.80064	0.4
83.04943	0.5
83.08586	1.0
85.02865	1.1
91.04961	0.4
91.05473	4.4
92.04482	0.5
92.04992	6.5
93.05807	1.9
93.07016	3.5
94.06522	1.4
95.04916	0.5
95.08596	3.5
97.02850	0.8
97.10148	0.5
98.02357	0.4
99.80907	0.4
105.04469	0.4
105.07027	1.8
106.06541	3.1
107.08548	1.7
109.10110	1.6
110.05962	0.5
117.05746	3.1
117.06964	0.6
118.06529	30.9
119.07378	2.3
119.08527	1.1
120.08092	2.3
121.10084	1.3
123.11672	0.4
130.06517	3.0
131.07272	3.9
131.08325	0.5
132.08083	4.3
133.06046	1.3
134.09671	0.9
135.11617	0.6
136.06148	2.1
144.08072	6.0
145.08885	2.7
146.09590	2.0
146.80266	0.4
147.11641	0.4
148.11227	0.4
158.09581	0.8
160.11168	0.7
163.06264	0.4
184.07262	0.4
188.06975	0.5
189.10207	4.9
190.10901	0.9
202.15886	7.5
202.17674	0.6
203.11717	0.8
215.08133	1.6
218.15372	1.9
228.13664	0.4
228.17549	0.4
229.09824	0.5
229.91248	0.4
230.15375	85.4
231.15717	2.4
246.76584	0.4
247.17972	0.4
248.16440	19.5
249.16718	0.5
256.16968	5.2
265.07190	0.4
267.15869	0.6
272.16498	0.9
274.17993	11.8
283.18152	1.2
286.17871	0.4
289.19034	2.7
299.17566	2.3
300.15875	5.8
301.15823	0.7
301.19104	11.8
304.19031	7.9
310.14429	0.5
317.18448	2.0
318.16806	0.7
319.20129	38.2
320.16641	0.4
320.20486	1.4
322.20016	2.6
327.16983	9.9
328.15314	4.9
330.20639	1.2
335.25766	1.0
345.18051	29.1
346.16141	2.5
348.21695	0.8
359.23373	0.4
363.19131	4.7
374.19614	1.0
375.22766	10.0
393.23746	4.4
401.20779	0.7
419.21725	4.2
420.20020	1.7
437.22836	3.4
537.28302	1.1
564.40552	1.4
581.27301	0.4
582.41095	0.8
590.41925	0.5
599.27734	0.6
608.43121	2.1
635.44214	7.5
636.44434	0.5
653.45166	16.7
654.45935	1.4
679.34070	0.3
679.43030	25.0
680.41864	5.8
697.44128	100.0
698.44495	6.9
815.50336	7.3
816.50360	0.7
842.46851	2.5
859.49268	18.0
860.49731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.4
65.03889	0.7
65.48975	0.6
67.05505	8.4
69.03423	3.4
69.07069	4.5
71.04985	0.9
71.58909	0.8
73.02929	3.4
79.05487	7.7
81.03397	2.8
81.07049	8.8
83.04969	1.0
83.08632	1.4
85.02898	4.0
87.04482	0.6
91.03967	1.6
91.05483	5.3
93.07032	5.7
95.04974	2.0
95.08589	3.9
97.02889	4.3
97.06503	0.9
97.10173	1.6
99.04491	0.8
99.78103	0.7
101.02397	0.9
105.07017	4.0
107.04967	1.1
107.08603	3.4
109.02818	0.7
109.06520	1.3
109.10129	2.9
111.08073	0.7
111.23363	0.6
117.07033	1.6
119.08588	2.7
121.10152	2.3
122.91692	0.6
123.08102	0.8
125.09612	1.1
127.03934	1.2
129.06976	0.9
129.86607	0.5
131.08565	1.8
131.31430	0.6
133.10129	2.5
135.11696	1.9
145.10158	1.3
147.11710	1.3
149.13289	0.9
155.08565	0.7
159.11676	1.0
184.07436	0.7
185.04198	0.7
227.20085	1.4
228.20476	0.6
243.08382	3.4
262.94519	0.6
291.19592	1.6
331.18872	1.8
333.20493	1.5
335.25961	1.6
336.68518	0.7
344.22366	1.5
345.22845	0.9
362.22968	0.7
387.21756	0.7
517.39050	1.4
549.26727	7.3
551.28192	6.2
626.44257	0.7
696.47430	0.8
697.48853	1.6
830.00830	0.8
859.47980	100.0
860.48260	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	857.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	12.4
65.03931	1.7
67.05503	33.4
67.82471	1.0
68.05821	2.0
69.03425	3.1
69.07060	6.7
70.02956	4.1
71.04963	1.9
71.58069	1.8
73.02919	4.2
74.02436	17.6
79.05487	25.1
81.03416	33.1
81.07053	30.2
82.07399	2.1
83.04980	3.4
83.08624	9.1
84.04507	1.3
85.02899	12.2
85.06535	1.6
87.05584	26.6
88.03995	4.5
91.03944	14.1
91.05477	17.3
93.07042	29.0
94.07387	1.4
95.04974	12.7
95.08607	25.1
97.02888	6.8
97.06528	2.4
97.10190	2.7
98.03219	1.3
99.08102	1.8
105.04520	1.1
105.06371	2.3
105.07018	13.8
107.04961	3.1
107.08582	15.5
108.08883	1.8
109.06515	1.8
109.10142	11.1
110.10477	1.8
111.08074	2.2
116.03432	3.8
117.07036	3.3
119.08582	10.0
120.08928	1.5
121.06507	2.5
121.10145	14.3
123.11700	3.8
124.03978	2.5
125.09620	2.2
127.03882	5.3
129.07002	2.2
131.08557	12.3
133.06081	100.0
133.10124	6.3
135.11671	9.1
136.12027	1.4
137.09592	1.5
137.13239	1.2
143.08650	1.2
145.04967	6.3
145.10124	6.6
147.08047	1.8
147.11700	5.5
149.09656	2.9
149.13301	5.3
157.10136	4.0
159.11702	6.9
161.13263	3.9
163.06017	12.0
163.14836	4.2
164.06444	1.8
171.11798	1.3
173.13286	4.7
175.11189	3.4
175.14844	1.5
177.12726	1.6
177.16423	1.9
184.07364	3.8
187.14835	2.4
189.11223	1.4
193.12187	9.6
194.11830	5.3
201.16479	1.4
208.87914	1.1
210.14935	3.0
211.13136	1.4
212.12834	1.6
219.20370	1.1
236.12885	1.6
243.21085	5.2
244.21501	3.7
254.13815	8.9
261.22107	21.2
262.22473	11.0
267.15903	33.6
309.17102	1.6
310.16476	3.3
317.24741	1.6
330.59363	1.1
335.25772	34.5
336.26144	3.2
353.26773	5.5
354.27228	8.5
435.32428	2.0
453.33636	2.5
527.37384	18.0
528.37421	1.7
545.38336	10.5
633.40479	3.0
651.42181	6.3
815.86774	1.2
857.45654	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	857.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.8
65.03935	0.6
67.05499	17.9
69.03414	1.1
69.07060	3.8
70.02953	1.1
71.04971	1.0
71.58836	0.8
73.02911	0.5
74.02036	0.9
74.02435	16.8
74.02850	0.8
74.70855	0.4
79.05066	0.9
79.05489	12.9
79.05955	0.6
79.06468	0.5
80.05018	0.7
81.03413	28.8
81.07047	17.5
83.04961	2.0
83.08613	6.0
85.02889	1.1
85.06532	0.9
87.05582	25.0
88.03979	3.9
89.97028	0.5
91.05471	11.8
93.07034	15.1
94.07392	0.4
95.04965	8.9
95.08596	10.4
97.02883	1.6
97.06509	1.4
97.10166	2.2
98.02412	0.5
99.08092	0.5
102.83654	0.5
103.75344	0.5
105.07021	9.6
107.04942	2.6
107.08583	6.8
109.06500	1.4
109.10154	5.4
111.08112	2.3
116.03429	6.2
117.06984	2.9
119.08570	6.5
121.06484	1.1
121.10131	6.1
123.04400	1.0
123.08041	0.8
123.11689	1.8
125.09608	1.1
127.03889	0.6
129.07040	2.3
131.08545	6.8
133.06075	100.0
133.10092	4.8
134.06421	0.6
135.08070	0.7
135.11674	3.4
137.09596	0.8
142.07719	1.1
143.08528	0.7
145.10109	3.2
147.08038	1.3
147.11696	4.4
149.09602	1.9
149.13264	2.5
157.10109	3.7
159.11702	2.5
161.13268	1.5
165.12685	0.8
169.10074	0.8
173.13268	1.5
175.11186	2.2
183.11641	0.5
184.07343	0.7
185.13197	0.8
187.14787	0.6
189.11201	1.0
193.12236	7.2
194.11865	1.1
210.14903	0.7
211.13083	0.6
227.12764	1.7
243.21054	1.6
254.13829	1.5
261.22107	5.4
267.15887	28.5
268.16367	0.6
275.19968	1.1
276.20132	0.7
301.14188	0.6
301.25253	1.4
309.16837	1.0
317.24747	1.4
335.25760	20.9
336.25940	0.6
409.16882	0.5
421.25473	1.0
435.27298	0.5
435.32709	0.9
453.33420	1.1
527.37286	13.2
528.37665	0.6
543.36151	0.5
544.37201	1.0
545.38367	8.3
569.38293	1.0
651.41632	1.0
677.42920	0.7
857.46552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.7
65.03928	1.3
67.05499	24.2
69.03416	1.5
69.07064	6.6
69.78506	3.2
70.02944	1.6
71.04992	1.3
73.02913	0.6
74.02032	1.0
74.02438	19.4
79.05489	17.4
80.05025	0.6
81.03412	30.1
81.07053	23.2
83.04974	2.2
83.08624	8.3
85.02911	1.5
85.06554	1.1
86.09719	0.6
87.05588	27.9
88.03975	5.2
91.03933	0.6
91.05477	13.3
93.07036	17.1
95.04964	11.3
95.08601	16.7
97.02870	1.3
97.06510	1.4
97.10168	2.7
98.02407	0.7
105.04427	0.7
105.07022	9.0
107.04970	2.5
107.08596	9.9
109.06504	1.4
109.10162	6.3
111.04475	0.5
111.08085	2.2
115.05492	0.5
116.03446	6.5
117.07008	2.5
119.08575	9.3
121.06491	1.9
121.10135	9.4
123.04453	0.8
123.08057	1.3
123.11673	2.4
125.09608	1.9
129.06984	3.7
131.08574	6.2
133.06079	100.0
133.10097	4.3
135.11707	4.6
137.09634	1.0
137.13248	0.6
141.06998	0.6
142.07768	0.9
143.08559	0.8
145.10088	3.7
147.08012	1.2
147.11664	4.5
149.09589	2.2
149.13258	2.7
155.08595	0.6
157.10133	3.2
159.11693	2.6
161.09621	0.5
161.13248	1.9
163.11209	0.8
163.14801	1.8
173.13255	2.2
175.11209	2.5
175.14798	0.6
177.16354	0.5
184.07268	1.1
185.13243	0.7
187.14775	1.5
189.11194	1.2
193.12225	7.8
194.11819	0.8
197.77670	0.5
205.12207	0.6
210.14868	1.0
211.13266	0.7
227.12733	1.1
235.13097	0.7
243.21062	2.0
249.14833	1.5
254.13872	2.4
261.22113	6.8
267.15900	32.1
267.32053	0.5
268.16293	0.7
285.42642	0.5
287.19980	0.7
287.27487	0.5
301.25253	2.2
309.16998	0.8
317.24875	1.3
325.40140	0.5
333.17249	0.6
335.25763	30.8
336.26035	1.0
435.32410	1.0
453.33841	2.8
471.34631	1.1
527.37305	16.7
528.37299	0.8
545.30469	0.8
545.38287	10.4
569.38428	1.4
593.37402	0.6
651.41370	1.5
677.42572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.5
65.03931	5.4
67.05503	89.3
69.03430	10.7
69.07063	47.7
71.04987	6.7
71.08633	1.8
73.02886	2.0
79.05489	74.6
81.03419	16.9
81.07052	100.0
82.07357	1.9
83.04972	16.4
83.08614	21.6
85.02901	7.2
85.06525	4.0
91.05476	64.6
93.07037	77.2
95.04961	20.1
95.08603	47.9
95.09104	0.8
95.09237	1.6
97.02875	4.1
97.06525	22.9
97.10159	14.5
98.21464	3.2
99.04427	2.9
99.08105	4.2
103.05470	3.4
105.07026	58.1
107.04954	15.4
107.08586	51.1
109.02882	3.3
109.06519	10.3
109.10145	20.3
111.08064	7.9
113.09619	2.8
115.05460	4.5
117.07009	25.4
119.08575	41.0
121.06524	6.6
121.10129	24.1
123.08082	7.0
123.11726	4.8
125.09618	13.6
127.03953	4.2
128.06175	1.6
129.06966	9.9
131.04796	1.6
131.08556	33.6
133.06483	3.1
133.10121	34.0
135.08058	8.4
135.11670	20.5
137.09598	6.5
139.07544	2.1
139.11130	1.5
141.07004	2.8
142.07759	3.1
143.08574	9.9
145.06447	2.0
145.10110	29.2
147.07977	4.7
147.11693	16.2
149.09613	22.3
149.13235	14.9
150.59697	1.5
151.11143	4.6
155.08562	5.6
157.10109	9.2
159.07982	1.9
159.11682	21.5
161.09573	3.1
161.13269	6.4
163.11151	14.3
165.12747	1.9
167.08499	2.8
169.10120	6.4
171.11710	7.6
173.04546	1.8
173.13304	9.6
175.11259	3.5
175.14806	2.0
177.12729	7.7
179.14337	5.6
181.10069	1.7
181.12262	2.7
183.11667	7.2
185.13231	3.6
186.13275	1.4
187.11163	3.1
187.14789	2.1
189.11208	6.7
189.12732	1.8
193.10199	2.3
193.12154	1.5
195.11975	2.2
195.13799	8.4
197.13232	6.0
199.14844	2.6
201.12770	3.0
205.12276	2.2
211.14861	1.8
227.12791	16.9
229.14296	2.2
229.19518	3.8
235.16997	1.6
239.17882	4.6
247.20639	3.5
253.14265	2.2
253.17883	1.6
255.15793	14.0
257.19009	12.1
267.15952	2.3
269.17459	44.4
273.18555	2.3
275.20038	57.6
291.19556	2.5
293.21155	4.5
321.24078	1.9
331.22559	2.8
349.19876	1.5
349.23697	40.6
350.24039	3.0
367.24725	4.9
435.27087	2.0
447.31290	1.7
449.28931	15.0
463.30548	22.8
519.33069	2.0
525.35730	2.2
529.35596	8.9
543.36786	42.5
544.37122	2.3
561.37653	5.2
583.39966	1.8
623.42743	4.4
641.43475	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	856.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.1
63.75069	1.8
64.43690	1.8
64.57933	1.8
65.03920	3.6
67.05502	87.4
67.32743	2.0
69.03422	9.6
69.07066	48.0
71.04978	7.9
71.06500	4.3
71.06841	2.5
79.05487	77.3
81.03413	16.0
81.07053	100.0
83.04979	18.0
83.08622	14.7
85.02880	5.6
85.06535	3.8
91.05472	68.4
93.07040	75.0
95.04964	19.2
95.07984	2.2
95.08602	43.1
97.02887	6.3
97.06528	23.4
97.10166	14.6
99.04458	2.5
99.08074	5.7
103.05455	2.7
105.07026	58.7
107.04964	14.4
107.08586	56.1
109.02888	3.0
109.06517	11.4
109.10136	17.6
111.08052	9.1
113.09669	2.3
115.05441	5.1
117.07007	29.2
119.08579	35.1
121.06490	8.7
121.10134	24.7
122.59264	2.1
123.08050	5.0
123.11687	6.0
125.09626	10.3
127.03915	3.8
128.06229	2.1
129.05490	3.0
129.06970	11.4
131.08563	31.7
133.06520	2.5
133.10135	32.6
135.08049	6.5
135.11679	22.8
137.09618	6.7
141.07027	4.9
143.08597	11.3
145.06436	3.0
145.10129	29.7
147.11685	22.8
149.09615	20.8
149.13248	13.4
151.11229	3.3
155.08487	3.7
157.10106	8.1
159.11702	22.6
161.13283	6.5
163.11191	15.1
165.12766	3.7
169.10143	7.7
171.11662	6.0
173.13271	9.1
177.12755	4.2
179.10806	2.2
179.14319	4.9
181.10146	3.5
183.11644	8.0
185.13266	3.7
187.11192	3.4
187.14731	3.3
189.11191	7.7
195.11806	2.8
195.13794	7.1
197.13297	3.5
199.14859	3.2
207.13747	2.2
217.15852	2.3
227.10898	2.5
227.12724	15.0
229.14197	4.1
229.19485	3.8
239.17871	5.9
245.13756	2.4
247.20491	4.1
251.16473	2.1
255.15863	12.8
257.18997	12.9
267.15915	4.0
269.17474	38.0
275.20056	55.1
287.92615	2.5
293.21002	3.5
331.22827	3.4
349.23782	44.3
367.24741	6.2
449.28983	13.7
463.30524	24.1
519.32733	2.3
525.35510	3.1
529.34961	8.0
543.36835	33.1
561.37640	3.7
623.42804	7.9
641.43567	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	9.1
65.03937	6.6
67.05502	96.8
69.03422	14.7
69.07063	43.7
71.04976	8.8
71.58080	4.5
72.08162	4.0
73.02923	2.8
79.05491	97.1
81.03418	16.5
81.06580	5.7
81.07056	100.0
83.04969	17.9
83.08615	35.1
85.02906	10.6
85.06519	5.1
91.03947	7.7
91.05480	76.4
93.07042	72.7
95.04985	20.3
95.08607	44.6
97.02901	9.4
97.06547	15.9
97.10165	66.6
99.08094	3.4
103.05450	4.7
105.07030	69.0
107.04951	12.8
107.08591	90.6
109.06521	13.5
109.10153	29.8
111.08084	8.5
113.09673	2.8
115.05475	5.6
115.89301	2.8
117.07014	30.1
119.08589	45.1
119.72372	2.5
121.06490	6.6
121.10144	28.6
123.00051	2.5
123.08058	4.8
123.11700	7.7
125.09635	55.4
127.03901	9.5
129.07004	9.3
131.08568	31.8
133.06573	3.2
133.10118	40.7
135.08043	11.3
135.11702	15.0
137.09590	3.0
141.06998	4.5
141.58449	2.9
142.07756	3.9
143.08557	10.9
143.10649	3.2
145.06514	4.5
145.10126	35.9
147.11690	25.4
149.01161	3.5
149.09593	24.1
149.13235	8.2
153.09169	7.3
155.08556	8.4
157.10161	11.4
159.08154	3.2
159.11684	21.8
161.09641	3.6
161.13246	7.9
163.06007	4.6
163.11179	10.9
167.08565	3.7
168.44868	2.7
169.10153	9.3
171.10298	7.0
171.11690	6.9
173.11882	3.3
173.13257	12.3
175.14862	4.2
177.12714	4.3
181.10057	3.2
183.11729	6.8
184.07326	6.8
185.13278	5.1
187.11244	3.4
187.14900	5.1
189.11206	35.3
189.12738	4.7
193.12088	2.6
197.13260	5.4
197.75572	2.6
211.14890	3.3
213.16377	4.0
227.12772	81.8
229.14304	5.1
229.19482	3.7
239.17934	5.2
245.13870	9.9
253.18144	3.1
255.15826	5.8
257.19095	19.7
261.22180	13.7
267.78854	3.0
269.17490	17.8
273.18469	3.5
275.20078	89.9
293.21030	8.6
331.22623	5.6
335.25763	4.3
349.23727	74.6
353.26971	3.7
397.22385	6.6
421.25244	3.4
431.15619	3.0
439.26779	6.8
503.33481	6.2
519.32947	14.8
525.35602	4.0
529.34894	13.5
543.36725	47.7
605.42242	4.2
623.43030	36.3
641.43774	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	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50406	1.7
61.02927	65.9
67.05502	53.2
69.03426	9.8
69.07055	9.3
69.44165	16.0
71.04993	2.5
72.17963	1.5
73.02919	25.8
79.05489	31.3
81.03393	4.4
81.06590	2.8
81.07056	52.4
83.08614	5.1
85.02903	83.2
88.15850	1.6
91.03952	71.1
91.05479	16.2
93.07040	38.9
95.04974	4.2
95.08602	45.1
97.02892	41.0
97.06538	3.2
97.10139	4.0
98.20784	3.3
99.04450	5.1
103.03973	1.7
105.07030	13.0
107.08598	26.6
109.02796	2.3
109.10159	31.9
115.03912	4.2
117.07014	7.0
119.08578	14.6
121.10144	26.0
123.07967	1.9
123.11710	12.7
127.03914	33.5
131.08582	10.9
133.10126	11.0
135.11681	21.6
137.09653	2.1
137.13219	5.0
145.04956	49.1
145.10149	13.2
147.11697	9.3
148.57802	2.0
149.09624	2.1
149.13223	18.9
151.11191	2.0
151.14801	2.9
159.11671	10.8
161.13246	8.7
163.06012	82.6
163.14813	13.1
165.12776	2.6
173.13283	11.5
175.14821	3.1
177.16359	6.1
179.14313	2.0
180.02792	1.7
184.07428	2.1
187.14778	6.8
201.16408	2.6
219.17470	2.5
226.86484	2.1
233.08141	1.7
233.22733	3.9
243.21088	31.4
250.74673	1.9
251.22826	1.6
261.22134	100.0
262.22577	3.4
273.70966	1.9
279.23203	6.2
331.06161	1.8
335.25739	33.8
346.88696	1.7
353.26843	66.4
497.30969	4.8
606.14984	2.1
869.34399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50406	1.7
61.02927	65.9
67.05502	53.2
69.03426	9.8
69.07055	9.3
69.44165	16.0
71.04993	2.5
72.17963	1.5
73.02919	25.8
79.05489	31.3
81.03393	4.4
81.06590	2.8
81.07056	52.4
83.08614	5.1
85.02903	83.2
88.15850	1.6
91.03952	71.1
91.05479	16.2
93.07040	38.9
95.04974	4.2
95.08602	45.1
97.02892	41.0
97.06538	3.2
97.10139	4.0
98.20784	3.3
99.04450	5.1
103.03973	1.7
105.07030	13.0
107.08598	26.6
109.02796	2.3
109.10159	31.9
115.03912	4.2
117.07014	7.0
119.08578	14.6
121.10144	26.0
123.07967	1.9
123.11710	12.7
127.03914	33.5
131.08582	10.9
133.10126	11.0
135.11681	21.6
137.09653	2.1
137.13219	5.0
145.04956	49.1
145.10149	13.2
147.11697	9.3
148.57802	2.0
149.09624	2.1
149.13223	18.9
151.11191	2.0
151.14801	2.9
159.11671	10.8
161.13246	8.7
163.06012	82.6
163.14813	13.1
165.12776	2.6
173.13283	11.5
175.14821	3.1
177.16359	6.1
179.14313	2.0
180.02792	1.7
184.07428	2.1
187.14778	6.8
201.16408	2.6
219.17470	2.5
226.86484	2.1
233.08141	1.7
233.22733	3.9
243.21088	31.4
250.74673	1.9
251.22826	1.6
261.22134	100.0
262.22577	3.4
273.70966	1.9
279.23203	6.2
331.06161	1.8
335.25739	33.8
346.88696	1.7
353.26843	66.4
497.30969	4.8
606.14984	2.1
869.34399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.3
65.03926	4.0
67.05503	43.3
69.03416	10.3
69.07067	38.0
71.04980	4.0
73.02907	1.2
79.05488	42.6
81.03410	10.3
81.07053	49.0
83.04974	9.2
83.08609	13.4
85.02884	4.5
85.06522	3.3
91.03960	1.3
91.05482	32.2
93.06473	2.4
93.07040	36.8
95.04967	12.1
95.08608	22.3
97.02876	10.9
97.06536	8.7
97.10158	12.8
99.04460	1.2
99.08091	1.7
103.61724	1.1
103.75003	1.6
105.03305	1.1
105.07027	32.4
107.04954	8.8
107.08591	22.8
109.06514	3.8
109.10152	14.1
111.04430	1.2
111.08051	3.8
115.05463	1.6
117.07010	14.7
119.04955	1.1
119.08584	20.0
121.06499	4.2
121.10139	14.2
123.04426	1.5
123.08062	4.7
123.11712	1.4
125.09653	10.8
127.03885	3.2
128.06242	3.1
129.07008	5.8
131.08575	17.5
133.06476	4.0
133.10124	15.0
135.08041	5.7
135.11722	9.2
137.09615	3.8
141.06990	1.4
143.08559	4.6
144.89360	1.3
145.10120	12.5
147.08057	6.8
147.11688	7.2
149.09608	8.0
149.13245	7.1
151.11208	1.7
153.09074	2.3
157.08890	1.4
157.10143	4.2
159.08078	1.4
159.11659	8.0
161.09587	4.5
161.13277	1.7
163.11189	6.6
163.14803	1.6
169.10091	1.5
169.12097	1.3
171.11703	3.1
173.13280	3.1
175.11218	2.6
177.12682	3.1
179.14304	2.1
183.11699	2.6
187.11205	1.5
189.11183	6.2
193.12198	1.7
195.11584	2.0
195.13824	4.4
205.12230	2.6
223.13272	18.6
225.65082	1.2
227.12744	10.1
227.17867	1.3
239.18033	2.1
249.14809	2.9
251.16252	1.5
253.14316	4.3
255.15904	4.8
257.19016	4.7
263.19867	1.3
267.15988	2.3
269.17471	14.7
273.18475	14.5
275.20062	17.2
291.19531	100.0
292.19791	1.7
347.22125	1.9
349.23679	16.2
365.23203	35.1
446.24344	1.4
461.29312	1.5
535.32495	2.1
541.35266	2.8
545.34607	12.2
559.36292	37.5
560.36847	2.7
639.42700	15.2
657.43140	2.6
797.77539	1.3
854.45435	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	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.9
67.05501	52.1
69.03430	11.2
69.07067	35.9
69.34188	1.6
69.34505	13.0
71.04971	4.6
73.02908	2.8
73.77861	1.1
79.05492	42.3
79.05963	2.3
81.03416	10.4
81.07054	54.0
83.04980	8.2
83.08614	13.3
85.02877	6.2
85.06548	3.7
91.03989	1.6
91.04903	1.9
91.05479	38.9
93.07042	45.8
95.04961	13.2
95.08609	24.2
97.02909	11.3
97.06538	12.2
97.10159	12.8
98.21510	2.1
99.04477	1.3
105.07031	30.4
107.04949	10.9
107.08594	26.9
109.02898	1.5
109.06483	6.8
109.10150	16.4
111.04420	1.5
111.08093	3.4
115.05460	2.4
117.07016	14.4
119.05035	1.3
119.08587	20.9
121.06503	7.0
121.10133	11.4
123.08042	4.3
123.11697	3.2
125.09616	9.3
127.03957	2.1
128.06210	1.9
129.06993	6.0
131.08572	16.4
133.06482	3.6
133.10127	22.0
135.08054	6.1
135.11697	8.9
137.09601	4.7
141.06964	2.1
143.08556	5.7
145.10101	13.2
147.08063	9.0
147.11679	7.4
149.09627	9.0
149.13225	8.7
151.11166	8.5
157.10127	4.9
159.08076	2.2
159.11684	9.7
161.09634	6.0
161.13240	2.8
163.11166	6.1
165.09167	1.7
169.10143	1.4
169.12291	2.6
171.11665	3.7
173.13258	3.3
175.11197	4.7
177.12720	4.2
179.14255	2.0
181.10178	1.7
181.12186	1.7
185.13272	1.7
187.11115	1.7
189.11192	5.8
195.13745	6.0
199.11179	1.7
205.12242	2.5
213.16504	1.4
222.49165	1.5
223.13281	16.5
225.20505	1.2
227.12860	7.6
227.17918	1.5
229.19536	1.4
239.18002	2.1
245.19221	1.5
247.20638	1.5
249.14763	3.5
253.14297	11.2
255.15649	5.9
257.18933	4.1
263.79773	1.2
269.17462	21.7
273.18515	16.6
275.20050	14.4
291.19525	100.0
292.19699	3.3
301.21777	1.4
347.22073	3.7
349.23795	12.2
365.23212	37.8
366.23425	2.3
367.24799	2.8
405.13080	1.4
429.21637	1.4
461.28900	1.3
526.48328	1.3
527.33856	1.7
541.35449	4.7
545.34827	13.2
559.36298	58.1
560.36591	3.7
580.47101	1.7
621.41296	2.1
639.42365	13.9
657.43579	2.2
703.40802	1.8
854.45831	21.1
855.45587	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	20.4
65.03925	3.5
67.05501	100.0
69.03419	7.2
69.07066	17.9
71.01341	2.3
71.04979	9.2
71.57147	2.9
73.02920	7.5
79.05487	41.5
79.05915	3.8
81.03416	18.3
81.07051	74.8
83.04967	12.1
83.08624	22.9
85.02905	33.2
85.06530	4.2
87.04456	4.9
91.03959	11.9
91.05479	34.0
93.07040	37.6
95.04942	11.6
95.08591	24.1
97.02893	14.4
97.06541	13.5
97.07064	2.0
97.10156	15.7
99.04436	3.7
105.07014	16.9
107.04967	6.8
107.08587	27.3
109.06540	4.5
109.10149	54.6
111.04436	3.1
111.08085	8.6
117.06994	10.5
119.08590	11.7
121.06509	3.4
121.10129	13.3
123.08080	2.2
123.11696	5.5
125.09622	10.2
127.03897	5.3
129.05479	7.0
131.08569	9.7
133.10120	15.1
135.08043	3.1
135.11688	11.5
137.09602	4.7
143.10620	3.4
145.04991	6.5
145.10112	4.9
147.11681	7.6
149.13278	13.9
153.12717	3.5
157.10069	2.2
159.11696	6.1
163.06061	5.6
163.11208	6.0
165.12660	3.5
173.11696	17.9
177.12759	4.7
181.12221	2.7
191.10660	2.6
193.12291	7.2
195.13812	14.6
196.28067	2.2
199.13281	7.2
209.11749	7.0
211.13264	3.9
213.14787	3.4
227.12747	8.2
229.14340	40.5
239.16379	3.8
267.15909	9.1
269.17419	42.2
283.15414	7.1
301.16483	16.4
411.27332	3.1
423.27322	32.4
431.28070	3.5
477.28442	4.3
495.29480	73.0
496.29703	4.0
513.30432	26.6
821.60791	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	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.8
67.05500	24.4
69.03386	2.5
69.07062	12.1
71.04962	2.5
73.02895	1.5
77.03880	1.3
79.05017	1.0
79.05484	15.3
81.03374	1.8
81.07053	74.0
83.04986	6.1
83.08602	7.6
85.02897	6.4
85.06540	3.8
91.03940	4.6
91.05474	20.3
93.07032	13.1
95.04939	3.1
95.08598	17.8
97.02846	3.3
97.06516	6.9
98.21488	2.0
99.04415	1.0
99.08077	4.2
101.05968	1.3
104.94223	0.7
105.07024	36.3
107.04887	0.9
107.08587	14.4
109.06497	5.7
109.10105	2.8
111.08060	1.4
113.05987	1.7
115.07528	1.2
119.08576	26.4
119.83694	0.8
121.10136	19.1
123.08064	4.5
123.11699	31.3
127.03893	1.6
127.07511	3.0
129.06926	1.3
131.08542	1.7
133.10095	3.3
135.11656	0.9
137.13222	2.1
145.04990	1.3
145.10107	1.7
147.11678	68.9
148.12027	1.3
149.09529	1.4
157.10085	3.4
159.92418	0.8
163.06004	1.3
165.12749	29.8
175.11160	2.7
183.13762	3.6
193.12239	1.7
211.13226	1.1
229.14323	6.0
267.15897	86.6
268.16135	1.4
285.16946	98.7
286.17114	1.3
385.23511	0.9
459.27371	1.6
477.28406	17.8
495.29504	100.0
496.29654	2.4
676.54681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.4
65.03938	4.5
67.05502	100.0
69.03421	5.6
69.07067	21.8
71.04993	6.7
71.57156	3.8
73.02908	6.7
79.05489	41.0
81.03416	16.6
81.07051	80.7
83.04994	10.0
83.08612	21.4
85.02905	31.3
85.06525	4.4
87.04457	4.2
91.03973	12.5
91.05481	31.4
93.07045	39.0
95.04985	11.4
95.08601	29.9
97.02889	13.6
97.06542	8.9
97.10157	10.3
99.08104	2.8
105.07013	14.9
107.04954	5.4
107.08592	29.2
109.06509	3.9
109.10152	53.3
111.08095	6.4
117.07014	9.4
119.08567	13.7
121.06477	3.8
121.10123	13.8
123.11752	3.1
125.09620	13.5
127.03942	5.6
129.05507	5.0
129.06969	4.0
131.08571	9.7
133.10107	13.1
135.08064	3.8
135.11671	10.7
135.54259	2.1
137.06058	2.2
137.09596	4.7
145.04985	6.8
145.10136	4.9
147.11668	5.1
149.09579	2.0
149.13252	12.6
153.12750	2.4
155.10675	3.0
159.11702	7.6
163.06036	7.7
163.11205	6.5
173.11722	16.7
177.12756	4.2
193.12286	3.8
194.33853	2.5
195.13826	12.0
199.13278	6.2
209.11836	4.2
211.13347	2.8
213.14709	2.6
227.12756	5.0
229.14320	40.5
239.16544	3.6
257.13855	4.5
267.16006	7.5
269.17465	59.1
283.15381	4.5
301.16388	13.6
393.26266	2.8
411.27542	4.1
423.27356	44.0
477.28552	4.5
495.29459	74.5
513.30408	24.9
573.32813	2.4
717.74603	2.3
783.65234	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	853.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.6
65.42188	0.9
67.05499	10.7
69.03424	4.7
69.07076	2.1
70.06571	0.9
71.58179	1.4
73.02902	4.5
77.58623	0.8
79.05500	3.3
81.03437	2.5
81.06657	0.9
81.07044	4.7
83.05002	1.1
83.08604	1.4
85.02905	8.8
91.03971	3.8
91.05508	2.7
93.07048	3.1
95.04984	1.8
95.08630	3.5
97.02892	7.9
97.10162	1.1
99.04478	1.5
101.02421	1.4
105.07027	1.8
107.08659	1.7
109.02837	1.1
109.06541	1.2
109.10155	7.5
111.68738	0.9
119.08611	1.7
121.10143	1.4
124.23223	0.8
127.03940	2.7
131.08594	1.0
131.70108	0.8
133.10120	1.4
135.11723	0.9
138.64098	0.9
173.11761	1.9
185.04185	0.8
203.05385	1.2
229.14412	1.9
243.08479	3.1
253.46021	0.9
291.19543	1.4
291.95776	0.9
292.19931	0.9
347.09650	2.7
365.10663	1.2
365.23441	1.5
405.13699	7.0
413.17792	10.6
519.29456	4.8
575.22968	8.1
681.34338	4.3
691.40497	2.6
853.45453	100.0
854.45605	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	853.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.8
64.07512	0.5
65.03935	0.6
67.05503	7.6
69.03428	4.7
69.07068	0.8
71.04989	0.7
71.19018	0.7
71.19379	1.0
72.43134	0.5
73.02913	4.9
75.04523	0.4
79.05478	3.2
81.03410	2.1
81.07049	3.9
83.08624	0.7
85.02893	8.3
85.03362	0.6
91.03952	5.2
91.05486	2.1
93.07043	4.0
95.04980	1.4
95.08607	3.2
97.02894	7.1
99.04459	1.7
101.02384	2.3
103.03967	0.9
105.07015	1.5
107.08611	2.3
109.02870	1.1
109.06568	0.6
109.10154	4.4
115.03901	0.8
119.08598	1.6
121.10136	1.5
123.11765	0.7
125.47886	0.5
127.03926	2.0
129.07031	0.6
131.08601	1.0
133.10162	1.3
135.11771	0.7
143.56511	0.5
156.89810	0.5
159.11716	0.7
173.11783	1.2
185.04312	1.4
195.09961	0.7
203.05319	1.3
229.14482	1.0
243.08411	2.2
260.51849	0.5
261.22427	0.5
335.25864	0.7
346.24539	0.6
347.09500	3.2
405.13708	5.9
413.17715	5.2
519.29291	6.7
559.04388	0.5
575.23169	4.1
626.99200	0.5
681.34198	8.2
691.40039	2.1
853.45508	100.0
854.45959	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	852.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67256	1.0
67.05505	19.8
69.03430	6.5
69.06730	1.6
69.07073	23.7
71.05003	1.3
71.58056	1.4
75.07983	0.9
79.05494	17.5
81.03408	4.7
81.07052	16.1
83.04967	2.4
83.08627	7.8
85.06538	1.2
91.05472	14.9
93.07043	11.9
95.04972	8.2
95.08615	8.5
97.02897	6.3
97.06534	2.7
97.10174	11.2
103.05473	1.2
105.07024	13.2
107.04971	5.1
107.08598	10.0
109.06516	2.1
109.10152	7.3
109.10806	1.0
111.04461	1.0
111.08096	2.0
112.99992	1.4
117.07020	4.8
119.04927	1.7
119.08580	8.5
121.06510	3.5
121.10147	4.5
123.08059	2.9
125.09624	6.9
129.06993	3.1
131.08566	6.7
133.06490	2.3
133.10156	4.0
135.08037	3.0
135.11700	1.3
137.09624	1.8
142.07840	1.2
143.08566	3.0
145.10127	4.0
147.08084	6.5
147.11705	3.0
149.09615	1.8
149.13264	1.7
157.10075	2.1
159.11711	2.9
161.09616	1.8
163.11078	1.2
163.18761	1.0
165.09109	1.5
169.12273	1.4
171.11769	1.6
175.11252	2.1
177.12759	1.8
184.07315	1.3
185.13211	1.5
189.11234	4.6
195.13760	1.1
205.12273	2.9
223.13269	16.4
227.12730	5.7
235.42650	1.0
249.14961	3.3
257.03293	1.0
273.18454	15.8
291.19537	100.0
292.19357	5.8
347.22095	2.7
365.23227	42.9
369.18033	1.4
437.59824	1.0
529.84503	1.1
535.31989	1.4
557.35022	1.9
574.62885	1.0
575.35840	1.1
655.31281	1.9
655.42047	38.3
656.41992	1.5
852.45178	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	850.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.0
65.03908	3.0
67.05499	5.4
69.03403	8.6
69.07039	2.7
70.06576	2.7
70.17249	7.3
70.17660	4.4
71.04976	4.3
71.39872	2.3
79.05473	7.1
81.03442	5.5
81.07061	2.9
85.02908	17.9
87.00803	5.7
91.05494	4.5
95.04959	5.4
97.02863	7.2
98.20770	4.4
103.03949	5.3
103.05466	19.9
105.07030	5.8
107.04928	5.4
107.08627	3.4
109.02850	10.8
109.06503	2.7
109.79042	2.3
111.04400	2.6
115.05444	7.5
117.06989	6.8
119.04908	4.9
119.08559	2.9
122.03593	3.1
123.04450	2.7
127.03909	4.8
129.01865	3.2
129.07033	2.8
131.04919	41.7
133.02786	2.9
133.06445	3.1
137.05968	75.2
141.01631	2.4
141.05382	3.7
141.07018	3.3
143.04863	5.1
145.06485	8.9
147.04463	5.4
147.08052	2.8
148.05180	6.8
149.05940	3.9
151.03899	48.0
151.05086	3.5
151.07520	4.7
153.05400	3.8
153.94669	2.4
159.04385	7.6
160.05174	5.5
161.05968	7.2
163.07513	31.9
165.05475	3.3
167.06984	14.6
169.06500	5.3
171.04399	3.5
173.05957	9.0
175.07535	18.5
176.04691	5.1
177.05476	11.4
179.07019	7.7
181.05000	16.6
187.07584	12.6
188.04683	3.7
189.03883	6.8
189.05435	4.4
189.09050	4.8
190.06242	3.6
191.07014	100.0
197.05948	6.0
201.05444	3.7
201.09048	5.3
203.07013	16.7
205.08559	22.2
209.08090	2.9
212.16391	9.0
215.07062	7.4
217.08623	6.9
218.68686	2.7
229.08565	11.5
231.06485	3.4
233.08055	18.0
235.07445	2.8
235.09621	8.5
244.87196	2.7
249.09032	2.7
257.07993	13.5
263.09103	8.4
265.10764	7.5
275.09033	8.7
298.31241	2.7
355.11536	3.8
357.13300	3.1
361.09235	4.0
369.05804	2.9
369.13248	2.7
371.14734	6.3
379.10242	13.1
387.14401	33.9
451.28802	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	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.5
61.02921	9.1
61.21317	0.5
65.03941	1.5
67.05499	83.6
68.05820	1.1
68.19953	0.6
69.03413	2.8
69.07063	6.3
71.05009	3.2
73.02914	3.2
74.52460	0.4
79.05487	16.3
80.05849	0.6
81.03419	1.2
81.07050	32.8
83.04986	0.9
83.08617	6.1
85.02894	12.0
85.06524	2.7
91.03947	8.0
91.05470	11.1
91.06001	0.6
93.07037	21.5
93.07625	1.2
95.04962	2.7
95.08599	24.1
97.02882	6.3
97.06522	1.0
97.10153	1.4
99.04453	0.6
99.08092	1.4
105.07021	7.0
107.08589	11.1
109.02938	0.6
109.06526	0.7
109.10145	70.8
110.10463	0.9
111.08042	3.2
117.07006	2.6
119.08572	10.3
121.10134	10.5
123.11681	3.8
125.09618	1.8
127.03924	3.3
129.07001	0.6
131.08569	5.6
133.10094	4.6
135.11673	6.6
137.09601	3.4
137.13211	1.2
144.06586	0.7
145.04958	3.2
145.10103	3.6
147.11681	3.2
149.13245	3.7
153.12720	0.8
155.10640	4.3
159.11670	3.2
161.13235	2.4
163.05981	4.9
163.14758	2.9
173.11752	23.8
173.13248	3.3
175.14845	0.8
177.16444	0.8
179.14256	0.6
180.08614	0.7
185.13377	0.7
187.14815	2.1
189.11087	1.0
201.16383	0.7
215.17853	0.6
227.12764	5.8
229.14333	100.0
230.14807	0.9
233.22688	0.9
243.20923	4.1
261.19388	1.0
261.22122	17.9
297.96780	0.5
299.23746	0.6
317.24765	3.1
333.24380	0.6
335.25769	65.1
336.26120	1.4
356.71613	0.5
379.29608	0.5
397.30795	2.1
408.36984	0.5
415.31985	1.9
430.21741	0.5
433.33246	1.1
471.34485	1.8
489.35696	40.4
490.36188	2.1
507.36652	5.7
529.02423	0.5
606.37042	0.6
848.50806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.6
61.02920	11.7
65.03925	2.5
67.05497	100.0
68.05839	0.9
69.03418	2.9
69.07065	7.0
69.53758	1.0
69.54156	4.1
71.04980	3.7
73.02914	3.3
79.05484	21.5
81.03404	1.8
81.07047	39.8
82.07363	0.7
83.08611	9.8
85.02893	12.1
85.06522	2.9
91.03949	8.5
91.05470	16.8
91.69289	0.5
93.07033	28.2
95.04951	4.2
95.08595	26.4
96.08923	0.8
97.02878	7.6
97.06517	1.7
97.10159	2.2
99.04443	1.2
99.08091	1.1
105.07023	9.3
105.07701	0.9
107.08575	15.5
109.06494	0.9
109.10144	79.1
110.10471	1.0
111.08082	3.8
115.03918	0.8
117.06990	3.7
119.08567	11.7
119.09367	1.0
121.09313	1.0
121.10130	11.7
123.08049	0.6
123.11717	3.5
125.09619	2.2
127.03899	4.4
129.06996	0.9
131.08553	7.6
133.10115	5.4
135.11665	9.3
137.09615	3.7
137.13235	1.9
139.11163	0.7
143.08545	0.7
145.04961	4.0
145.10104	4.9
147.11674	4.9
149.09621	0.8
149.13231	5.1
155.10699	3.7
159.11699	5.0
161.13226	4.1
163.05989	4.5
163.11169	0.8
163.14798	2.9
173.11732	23.4
173.13260	4.4
175.05832	0.5
175.14816	1.5
177.16348	1.8
179.14221	0.8
180.08723	0.7
182.13513	0.5
187.14795	2.6
189.11203	1.0
201.16350	0.8
227.12810	4.6
229.14326	94.7
230.14702	2.1
233.22710	0.9
243.21068	6.4
261.22113	22.6
262.22607	0.6
263.23767	0.7
279.23288	0.6
299.23654	0.9
317.24713	2.7
334.13516	0.7
335.25751	80.0
336.25983	2.8
384.25690	0.7
395.27997	0.6
397.30960	1.7
415.32156	0.9
471.34570	2.1
489.35696	74.2
490.36047	4.1
507.36948	5.2
629.90314	0.7
633.40161	1.3
848.50537	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	846.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	0.5
69.03419	1.3
70.06601	0.3
71.04988	7.4
71.57233	0.3
73.02906	0.4
75.04468	0.4
78.03442	1.0
79.05470	0.2
80.05021	1.2
81.03399	1.4
81.03699	0.1
83.04973	1.0
85.02898	8.6
87.04456	0.4
89.40771	0.2
95.04954	0.3
96.04485	1.5
97.02884	2.4
99.04471	0.5
106.02908	6.2
107.04948	0.2
109.02847	1.0
110.07114	0.2
111.00814	0.5
111.04451	0.7
117.05449	0.2
121.02850	1.9
124.03942	48.9
125.04302	0.3
127.03946	0.9
129.05475	1.8
133.02855	0.4
137.02353	0.5
137.05981	0.4
147.04396	0.5
153.01814	2.2
153.05501	0.2
157.06400	0.2
161.05913	0.2
165.01837	1.4
183.02882	0.6
185.05908	0.3
196.06000	0.3
213.05473	1.0
231.06526	0.7
241.04926	0.7
250.07095	1.4
258.05240	0.8
259.06125	0.4
268.08139	43.9
269.08490	0.6
286.04724	0.2
287.05472	100.0
288.05814	1.9
299.05444	0.4
329.06516	1.1
353.06143	0.3
397.09131	0.6
414.13876	2.5
426.96490	0.2
433.10916	0.9
489.65454	0.2
536.12238	0.9
554.12891	7.5
718.83911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.3
62.65636	0.6
63.22084	0.7
67.05504	8.2
69.03429	3.1
69.07072	2.0
69.97033	3.0
71.01374	0.8
71.04996	1.3
73.02908	5.8
79.05483	4.0
81.03428	1.8
81.07053	6.5
83.04934	0.9
83.08611	0.7
85.02906	6.5
91.03944	4.3
91.05488	4.3
93.07034	3.8
93.20188	0.6
95.04951	1.3
95.08596	3.6
97.02895	5.5
97.06541	1.4
99.04446	1.5
101.02388	2.1
105.07019	3.2
107.08598	2.6
109.02876	1.7
109.06495	0.6
109.10182	2.2
117.06995	1.2
119.08607	1.8
121.10167	1.5
123.11697	0.7
127.03078	0.7
127.03953	2.0
131.08594	0.8
133.10123	0.8
135.11665	0.8
145.10141	0.8
147.11739	0.8
158.62521	0.6
159.11674	0.8
173.13263	0.8
191.02184	0.6
226.42513	0.6
243.08484	2.3
349.19888	10.0
401.25449	0.8
424.82245	0.7
434.55072	0.7
439.19751	0.8
519.29248	6.4
567.27905	3.7
590.11157	0.7
592.56976	0.7
845.50116	100.0
846.50067	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82566	0.3
61.02921	3.8
62.77761	0.4
66.00191	0.4
67.05505	4.5
69.03438	3.0
69.07066	2.7
71.01353	0.5
71.04988	0.7
73.02915	3.4
79.05054	0.7
79.05487	5.9
81.03404	1.7
81.07058	4.4
83.04981	0.8
83.08608	1.0
85.02908	4.5
85.68974	0.4
91.03947	2.5
91.05482	4.6
93.07039	4.8
95.04965	1.1
95.08609	3.4
97.02883	3.8
97.06576	0.8
97.10178	0.5
99.04478	0.8
101.02395	1.7
105.07024	4.1
107.08588	2.7
109.02901	0.9
109.10162	0.9
117.07031	1.1
119.08585	2.1
121.10163	1.5
127.03898	0.9
129.07019	0.7
131.08580	1.1
133.10158	1.7
135.11736	1.2
136.06206	0.5
143.08577	0.5
145.10153	1.1
146.64958	0.4
147.11737	1.5
149.09737	0.4
149.13313	0.6
157.10175	0.9
159.11688	0.8
161.13312	0.4
184.07391	1.1
185.04240	0.7
185.35933	0.4
203.05312	0.6
218.56837	0.4
233.66904	0.4
243.08386	3.9
301.09033	1.4
310.42938	0.4
313.09042	0.5
315.10599	0.9
333.20392	2.3
333.23944	0.4
373.11292	0.4
373.23630	0.6
431.23917	0.5
439.19492	0.7
453.21066	0.7
465.20892	0.7
469.20352	0.4
525.23920	0.4
535.28821	7.6
551.28198	6.2
623.30292	1.4
640.73322	0.4
754.23450	0.4
845.50122	100.0
846.50647	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	845.386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13596	0.3
65.03942	0.5
67.05497	0.3
68.05019	5.9
69.05808	4.8
69.07050	0.5
69.54976	0.8
69.55386	1.7
70.06594	2.3
79.05479	0.6
81.03416	0.3
81.07074	0.5
82.06580	0.3
86.09700	6.1
91.05473	20.3
93.07047	0.9
95.04973	1.1
95.08574	0.3
96.04492	1.0
97.02878	0.3
98.09682	0.4
98.48236	0.3
103.05460	3.1
105.07030	0.6
107.04955	1.9
109.02943	0.3
109.06497	0.3
109.10094	0.3
114.05505	0.6
117.05730	2.0
117.06999	0.5
118.06535	47.9
119.04940	2.2
119.06888	0.3
120.08099	18.9
121.06504	0.6
123.04409	1.1
124.03946	14.3
129.06972	0.5
129.50708	0.3
130.06525	0.8
131.04913	0.8
132.08092	0.9
134.06001	1.3
135.06796	0.7
136.07574	9.5
137.05945	0.5
144.08070	0.4
145.06477	8.9
145.07628	0.6
146.05997	100.0
147.04404	1.2
147.06325	1.6
147.08034	0.5
148.07561	0.8
152.05800	0.8
153.88242	0.3
154.06497	0.3
157.06532	0.5
158.07240	0.5
159.08022	0.7
160.11215	3.0
162.05492	0.7
165.05446	1.2
170.09624	2.0
171.10434	3.3
172.07652	0.6
172.11162	0.6
173.07092	0.4
174.07619	0.5
174.09137	10.6
177.05490	0.4
182.08121	2.1
184.07553	0.3
186.05511	0.3
186.09065	2.0
187.12308	4.9
188.10611	0.4
198.09177	0.4
200.07057	7.1
201.10307	1.4
203.11789	4.8
212.07048	0.8
215.11775	5.0
225.10515	0.3
229.09723	2.5
231.11345	0.5
236.10614	0.4
238.12126	0.4
242.15260	0.4
243.11307	3.7
245.09207	4.4
249.12099	0.4
249.16005	0.3
257.09177	1.1
265.13141	0.3
274.12250	0.5
275.02249	0.3
275.13861	0.4
277.15451	0.7
281.12714	1.2
284.06665	0.9
293.12796	0.7
295.16614	0.7
299.09045	3.0
300.09509	0.3
300.84412	0.3
309.12305	3.2
313.15408	6.6
314.15564	0.3
316.20065	0.4
319.14276	0.9
342.18079	1.8
348.17084	0.4
349.15323	0.4
350.18488	0.5
361.15283	0.4
376.16470	3.0
378.18106	22.1
379.18054	0.5
404.16016	2.4
444.22900	0.3
446.24304	0.5
449.17807	0.5
478.21182	0.5
489.25070	1.7
491.26605	1.5
506.20563	0.5
517.17102	0.5
517.24414	6.2
518.24261	0.3
519.25647	0.8
522.22137	0.4
523.23438	6.5
524.22595	0.5
532.63318	0.3
534.19922	0.6
535.24988	0.6
551.22931	19.1
552.23285	1.4
636.31158	0.8
652.31085	0.7
664.30280	1.0
680.30920	1.5
698.31757	7.3
699.31183	0.8
700.33301	0.7
726.30377	0.4
814.90210	0.3
845.37933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.3
67.05485	1.1
68.99796	0.3
69.03411	1.4
69.07059	1.8
71.04992	7.1
71.05362	0.3
71.09455	0.7
73.06557	0.3
75.04482	0.3
79.05482	1.8
81.03400	1.2
81.07042	1.3
83.04971	4.2
85.02900	11.7
91.05482	1.5
93.07054	1.4
93.54564	0.3
94.04200	0.3
95.04976	1.5
95.08609	0.6
96.10572	0.3
97.02886	1.3
97.06519	3.1
98.76617	0.3
99.04440	0.7
101.06046	0.3
105.03377	1.2
105.07026	3.3
105.50933	0.3
107.04966	1.1
107.08585	1.5
109.02866	1.0
109.06516	0.6
111.00812	0.7
111.04424	1.0
115.05503	0.5
117.06986	0.9
119.04919	0.5
119.08554	0.9
121.02850	2.8
121.06496	2.1
123.04384	0.3
125.05988	4.5
127.03905	1.3
129.05470	2.0
129.06987	0.7
130.07799	0.3
131.04918	0.5
131.08543	1.1
133.02916	0.4
133.06483	0.6
133.10129	0.4
135.04350	0.3
136.06174	0.3
137.02365	0.3
137.05927	1.4
143.07040	3.9
143.08507	0.6
144.09312	0.4
145.01674	0.4
145.06477	1.0
145.10121	5.8
147.04411	0.8
147.08011	0.3
147.11687	0.3
149.05824	0.3
151.07492	0.9
153.01802	3.0
157.06493	0.7
158.07259	0.6
159.08043	0.6
159.11668	2.1
161.05920	0.4
163.11174	2.5
165.01840	1.5
167.07089	0.5
169.10155	0.6
173.09612	3.5
175.03929	0.3
177.12724	0.7
181.12170	0.3
183.02861	0.8
185.05927	0.5
187.11180	3.4
191.10645	1.5
197.01236	0.4
197.05997	0.3
197.09544	0.5
205.12230	3.0
209.11790	0.5
213.05399	1.3
215.02193	0.3
215.10637	4.2
227.02240	0.4
231.06509	0.5
233.11723	3.4
237.02806	0.6
241.04950	0.5
251.12753	1.6
258.05194	0.8
259.05963	0.5
287.05481	100.0
288.05875	1.8
299.05475	0.7
313.07071	0.3
317.06387	0.4
329.06772	0.4
413.17819	0.9
445.10950	0.6
450.95932	0.3
456.10654	0.6
471.13138	0.8
589.15259	0.4
785.22479	0.6
845.26569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29791	0.3
61.02907	0.5
69.03419	2.0
71.04597	0.8
71.04991	14.9
71.56968	0.4
73.02905	1.3
75.04458	0.7
78.06677	0.3
79.05459	0.9
81.03391	1.4
83.04981	5.5
85.02902	23.9
85.31496	0.3
91.05429	0.5
95.04961	1.7
97.02885	3.5
99.04439	0.9
105.03386	12.6
107.04973	0.6
109.02866	1.5
111.00815	0.5
111.04443	3.9
115.76239	0.3
117.05479	0.6
121.02869	1.9
123.04416	1.2
127.03907	1.7
129.04631	0.5
129.05495	4.7
129.06976	0.4
131.61824	0.3
137.02350	0.7
137.05978	0.6
145.04936	1.1
145.06499	0.4
145.99229	0.3
147.04500	0.7
147.06503	1.4
153.01816	2.9
153.05447	1.4
158.46437	0.4
163.06050	0.6
165.01860	1.7
167.06978	0.6
171.06508	0.6
175.07520	0.4
177.05499	0.6
181.04984	0.4
181.23181	0.4
183.02875	0.7
212.41571	0.3
213.05421	1.2
214.31131	0.4
218.46370	0.4
227.04913	0.3
231.06474	0.4
237.71127	0.3
239.09091	1.3
241.05049	0.8
249.07623	0.6
257.10025	0.4
258.05249	1.1
259.06131	0.6
267.08719	2.3
275.11365	0.5
287.05487	100.0
288.05667	1.8
299.05447	1.3
329.06567	1.0
353.06339	0.4
357.99649	0.4
365.06503	1.2
395.06979	0.5
433.11572	0.7
553.13281	1.5
681.35626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.2
64.52138	0.1
67.01852	0.2
67.05492	0.1
68.99790	0.3
69.03426	0.8
69.53386	0.1
71.01347	0.2
71.04987	8.9
71.12401	0.3
71.12743	0.2
73.02910	1.0
73.80115	0.2
75.04463	0.4
77.03926	0.2
79.05495	0.7
81.03413	1.1
83.04975	2.3
85.02898	12.4
87.04462	0.3
95.04977	1.4
97.02287	0.2
97.02886	3.8
97.28704	0.1
98.31124	0.1
99.04447	0.5
105.03383	12.9
107.04954	0.3
109.02871	0.9
111.00806	0.5
111.04437	1.5
117.05480	0.6
119.04965	0.1
120.02242	0.1
121.02865	2.0
121.06485	0.1
123.04418	1.5
127.03919	1.3
127.70905	0.1
129.05478	3.1
133.02855	0.4
135.04414	0.3
137.02345	0.5
137.05991	0.3
141.05444	0.2
145.04942	0.4
145.06464	0.2
147.04405	0.6
147.06505	0.8
149.05965	0.2
153.01817	2.5
153.05457	0.7
157.04979	0.1
157.06433	0.2
161.05914	0.2
163.06013	0.4
165.01834	1.1
171.04358	0.2
171.06468	0.2
175.03905	0.2
177.05476	0.3
183.02919	0.6
185.05957	0.3
189.05414	0.1
195.06464	0.2
197.06050	0.2
203.07088	0.1
207.06448	0.2
213.05531	1.0
213.07341	0.2
231.06442	0.6
239.09116	0.4
241.04938	0.7
249.07648	0.6
257.10086	0.2
258.05267	0.8
259.05988	0.2
267.08585	1.8
269.04593	0.2
275.11362	0.2
287.05472	100.0
288.05838	2.0
299.05457	0.4
300.06265	0.2
315.04990	0.1
315.08545	0.2
329.06546	0.7
353.06641	0.3
379.08121	0.2
397.09088	0.3
415.10364	0.2
433.11166	0.7
471.52411	0.2
486.74899	0.1
535.12329	0.4
553.13287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	0.3
61.02925	1.8
67.02971	0.3
67.05498	6.7
69.03408	1.1
69.07050	1.3
69.36508	3.0
71.04994	0.4
71.08609	0.3
73.02897	0.9
79.05489	4.0
81.03410	0.8
81.06589	0.4
81.07053	7.1
83.08608	1.0
85.02902	1.9
85.06518	0.5
86.09711	1.8
91.03947	0.9
91.05476	2.4
92.04970	0.3
93.07042	5.0
94.03999	0.4
95.04947	1.1
95.08601	4.4
95.69085	0.3
96.49349	0.4
97.02895	1.7
97.06493	0.4
98.21482	0.5
104.10725	0.3
105.07018	1.3
107.08613	2.0
109.10147	1.5
117.07063	0.6
118.06530	0.6
119.03552	1.2
119.08609	0.7
121.10143	1.7
124.99973	1.1
131.08585	0.8
133.10077	0.6
135.11699	0.7
136.06180	100.0
136.70999	0.3
137.04617	1.8
137.06575	0.5
145.10078	0.5
147.11696	0.3
149.13257	0.8
157.09996	0.4
159.11734	0.8
161.04520	0.4
168.88222	0.3
173.13297	0.4
174.07800	1.1
176.70427	0.3
178.07202	0.3
184.07336	5.1
192.08806	0.6
202.15950	0.5
210.09836	0.5
219.53030	0.3
230.15347	1.4
269.17517	0.7
286.16669	0.5
302.19516	0.3
330.19193	11.4
331.19412	0.5
335.25830	3.6
348.21143	1.3
361.83716	0.3
395.11789	0.3
404.22940	2.2
422.24063	3.7
497.31552	0.4
505.38925	0.4
664.44568	0.9
682.45367	50.4
683.45422	2.0
844.50287	11.3
845.50403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.3
67.05502	5.0
69.03426	3.1
69.07063	3.9
70.43079	2.5
71.04995	0.7
73.02920	2.7
79.05483	5.7
81.03407	1.3
81.07055	5.2
83.08629	0.8
83.66146	0.6
85.02889	3.3
91.03971	2.1
91.05486	4.1
93.07046	4.4
95.04969	2.4
95.08602	3.1
97.02876	3.1
97.06532	1.2
99.04477	0.6
101.02390	1.8
105.07020	4.4
107.04956	1.2
107.08606	2.2
108.18377	0.6
109.02876	0.7
109.10165	0.9
117.07030	2.3
119.08601	2.2
121.10170	1.6
123.08064	0.6
127.03944	0.7
131.08597	1.8
131.66940	0.6
133.10138	3.1
135.11736	1.6
145.10098	0.8
149.13290	0.8
151.11189	0.6
159.11620	1.1
173.13370	0.7
179.14339	0.8
184.07407	1.3
185.04182	0.9
243.08380	3.9
275.20102	0.9
301.08868	0.8
315.19379	2.2
333.20416	1.1
371.22079	1.0
466.97610	0.6
533.27258	8.0
535.28888	1.7
549.26965	2.6
551.28235	4.8
561.21808	0.6
681.43988	0.7
843.48547	100.0
844.48773	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.5
61.05621	0.8
66.16000	0.8
66.76624	0.7
67.05500	7.8
68.88795	0.7
69.03436	3.3
69.07070	4.5
71.58286	1.2
73.02930	3.7
75.75043	0.7
79.05140	0.7
79.05504	5.4
81.03419	2.3
81.07057	6.8
83.04987	1.1
83.08616	1.6
85.02911	3.6
91.03963	1.7
91.05486	4.0
93.07042	3.5
95.04964	1.9
95.08621	4.4
97.02891	3.2
97.10156	1.3
101.02428	1.1
105.07042	5.0
107.04974	1.1
107.08603	2.2
109.06541	0.8
109.10176	1.9
115.49604	0.8
117.06989	1.1
119.08604	3.3
121.10159	1.3
125.09606	0.9
127.03928	1.0
131.08594	1.7
133.10109	1.1
135.11630	1.3
137.09610	0.9
145.10159	1.6
147.11716	0.9
149.09637	1.1
159.11777	1.0
163.11316	0.9
164.84880	0.8
179.14554	0.9
227.12903	1.2
243.08511	3.1
245.13860	2.1
275.20343	1.0
288.02420	0.7
313.27426	1.1
315.19424	2.4
333.20496	1.3
358.69241	0.8
361.70078	0.8
369.85788	0.8
484.37454	2.2
533.27161	9.8
551.28320	7.4
646.43237	1.5
751.27161	0.9
843.48578	100.0
844.48663	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	844.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.8
62.14414	0.3
67.05176	0.4
67.05504	5.9
67.05856	0.3
69.03415	0.6
69.07067	1.3
69.93784	0.5
69.94180	0.8
71.07374	0.3
73.02896	0.8
79.05497	4.3
81.03411	0.6
81.07047	5.7
83.08608	1.0
85.02897	1.8
85.06575	0.5
86.09709	0.9
88.07630	0.3
88.83607	0.3
91.03947	0.7
91.05480	2.9
93.07044	3.8
95.04953	0.6
95.08600	3.6
97.02880	1.1
97.06546	0.5
97.10136	0.3
105.07030	1.4
107.08579	2.2
109.10146	1.0
111.08095	0.3
117.07023	0.5
118.06512	1.0
119.03535	1.2
119.08585	0.8
120.08104	0.3
121.10164	1.3
123.11726	0.4
125.00030	0.5
129.06984	0.3
131.08600	0.8
133.10127	0.7
135.11665	0.7
136.06181	100.0
137.04594	2.2
137.06523	0.6
147.11671	0.4
148.06207	0.4
149.13249	0.8
159.11742	0.5
161.13332	0.3
174.07759	0.8
178.07281	0.4
179.48233	0.3
184.07365	3.0
192.08760	0.4
210.09804	0.3
230.15489	1.5
267.25232	0.3
269.17380	0.5
312.18042	0.3
318.14175	0.3
330.19193	14.1
335.25778	2.1
348.20282	1.8
386.21399	0.3
404.22989	3.6
422.23877	2.2
551.27972	0.4
566.28656	0.4
657.79907	0.3
664.44775	1.4
682.45404	56.6
683.45581	2.3
826.49042	0.5
844.50604	8.0
845.49860	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	843.218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.6
67.63271	0.2
68.99773	0.5
69.03426	3.7
69.62695	1.3
71.01339	0.3
71.04990	5.6
73.02885	0.7
75.04446	0.3
79.05441	0.2
81.02985	0.2
81.03413	2.8
83.01372	0.1
83.04970	0.5
85.02895	9.2
87.00301	0.2
87.00819	2.5
91.03936	0.5
97.02884	2.0
99.04438	0.8
105.01862	1.3
105.03442	0.2
107.04964	0.3
109.02875	1.8
111.00783	0.5
111.04420	0.8
117.01839	0.5
121.02853	1.8
127.03905	3.4
129.05479	1.5
133.02847	0.3
137.02335	0.3
145.04965	1.3
147.04437	0.3
147.06531	0.3
151.03911	0.2
152.68317	0.2
153.01816	2.0
159.02870	2.6
165.01810	1.1
183.02873	0.4
185.05977	0.3
189.03935	0.3
202.38594	0.2
213.03722	0.3
213.05478	1.1
231.04869	2.9
241.05000	0.7
249.06088	0.4
258.05240	0.7
269.04279	0.2
286.04639	0.2
287.05472	100.0
288.05780	2.3
299.05487	0.3
303.67053	0.2
329.06595	1.1
350.61841	0.2
353.06522	0.6
359.09717	0.4
369.69565	0.2
397.09088	0.3
449.10767	19.4
450.11090	0.5
535.10522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	2.1
61.02924	1.9
61.75475	1.2
65.03947	3.1
67.05502	100.0
67.86497	1.3
69.03436	3.1
69.07069	19.3
70.03358	6.5
71.04985	4.0
79.05494	42.5
81.03409	2.7
81.07054	66.8
83.04990	3.4
83.08617	11.4
85.02919	2.3
85.06557	3.2
91.05477	35.2
91.06014	2.4
93.07039	49.8
93.58614	1.4
95.04971	8.0
95.08606	44.0
97.06545	5.5
97.10166	7.3
98.20822	2.3
99.08085	1.7
102.48958	1.2
105.07027	26.8
107.04961	3.7
107.08591	31.9
109.06507	4.8
109.10149	51.4
110.88580	1.5
111.08083	3.2
113.06046	1.3
117.07050	8.7
119.08585	21.4
121.06541	1.3
121.10151	18.9
123.08085	1.9
123.11711	5.2
125.09640	6.2
129.06979	3.4
131.08557	12.3
133.10136	13.0
135.08058	3.1
135.11696	14.4
137.09596	3.7
143.08563	3.3
145.10136	12.0
147.11702	10.1
149.09602	2.9
149.13293	7.5
157.10136	3.8
159.11678	10.0
161.13268	4.0
163.11176	2.5
163.14850	3.7
171.11749	3.9
173.11752	11.7
173.13297	5.3
175.11278	1.8
184.07494	1.8
187.14726	1.9
189.11179	3.2
201.16393	1.7
227.12779	9.1
229.14340	41.9
243.21173	3.0
257.19000	2.3
261.22052	10.4
269.17395	7.3
275.20068	19.4
293.21161	2.2
294.35095	1.7
317.24634	3.1
335.25778	64.8
336.26093	2.4
349.23666	12.2
367.24875	12.0
464.70877	1.4
489.35760	23.3
507.36530	2.4
529.38818	15.0
569.42114	3.8
609.45227	18.7
627.46191	13.3
628.47205	1.6
698.80188	1.6
842.47443	2.3
843.49036	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	842.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.4
61.02910	8.0
62.82791	2.9
65.03938	3.0
67.05505	100.0
69.03416	6.5
69.07061	24.1
69.45100	4.8
69.45496	21.5
71.04997	4.9
71.08608	7.6
73.02892	2.5
79.05066	3.6
79.05492	47.1
81.03408	6.5
81.07053	71.0
83.04958	6.5
83.08620	21.6
83.36989	2.5
85.02903	9.6
85.06532	4.3
85.10177	4.8
86.18310	2.1
91.03956	4.2
91.05470	29.7
93.07046	52.6
95.04974	7.5
95.08597	46.9
95.09171	3.8
97.02902	5.4
97.06548	8.2
97.10163	29.6
98.20762	5.4
105.07014	17.3
107.04926	2.6
107.08593	43.2
107.19099	2.2
109.06530	6.4
109.09481	3.8
109.10163	54.6
111.08089	5.1
117.07030	9.9
119.08568	20.0
121.10128	21.3
123.11740	5.8
125.09640	24.9
131.08531	13.1
133.10152	15.5
135.08015	6.7
135.11671	11.8
137.01517	2.3
137.09631	3.0
145.10153	13.4
147.11708	9.9
149.09636	4.8
149.13251	7.0
153.09081	3.4
159.11700	6.5
161.13255	6.9
173.11725	10.4
173.13278	6.8
189.11224	23.3
194.43587	2.8
227.12788	54.8
229.14365	41.1
229.19374	3.0
243.21007	3.9
245.13858	48.0
257.19046	5.5
261.22159	12.0
269.17444	8.9
275.20004	15.9
293.20950	3.4
313.27380	39.9
317.24533	3.7
335.25784	86.8
349.23669	18.0
367.24573	12.3
460.21817	2.9
483.36819	25.3
484.36859	3.5
489.35721	41.9
529.38861	14.1
609.45172	26.9
626.69275	2.8
627.46130	15.9
843.49567	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	842.452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02961	2.0
61.73722	1.5
67.05507	11.5
69.03418	3.6
69.07056	7.8
70.06618	1.4
73.02908	1.5
79.05486	5.3
79.86870	1.5
81.07047	21.2
83.08608	4.5
85.02895	24.7
91.05459	6.7
92.99888	1.4
93.07037	18.2
95.01321	7.8
95.04930	2.3
95.08601	46.2
97.02862	5.7
97.10140	4.0
98.21521	3.1
105.07019	26.1
107.08588	28.5
109.02825	2.3
109.10151	16.9
111.08070	4.4
116.06295	1.4
117.07018	2.7
119.08568	45.9
121.06454	3.2
121.10126	25.0
121.17408	1.6
123.08039	2.9
123.11678	8.8
124.39887	1.5
127.03900	6.4
131.08548	12.0
133.10123	31.3
135.11693	12.5
141.01854	12.5
143.08601	2.5
145.04933	6.7
145.10109	27.2
147.11668	27.2
149.13251	19.3
153.09094	2.0
155.08499	1.7
157.10056	2.9
159.02832	1.7
159.11687	12.3
161.09598	6.4
161.13229	21.5
163.06017	5.0
163.11259	2.8
163.14792	23.4
169.10194	2.2
171.11697	2.6
173.13252	19.0
175.14812	38.5
177.16400	21.4
183.11761	2.1
185.13283	2.6
185.47365	1.6
187.14801	52.6
189.12709	5.1
189.16365	63.6
191.10683	1.8
191.14308	17.6
191.17921	6.3
193.15855	4.2
197.13155	2.1
199.14806	7.9
201.16373	32.1
201.51591	1.7
203.17938	40.5
204.18427	1.8
205.15884	2.9
205.19630	2.5
207.17409	5.3
211.14792	1.9
213.16397	5.6
215.17982	8.4
217.15886	2.3
217.19324	1.9
219.13728	2.2
221.15364	14.4
225.16412	2.0
227.17882	3.0
229.15936	1.8
229.19475	6.1
231.17317	1.7
233.15376	2.8
235.16916	6.1
241.19501	2.6
247.16930	11.4
247.20615	1.9
249.18536	7.9
261.18393	7.1
281.22604	2.6
353.24643	1.5
377.31979	12.8
395.33084	58.7
396.33304	1.8
397.34674	5.1
399.24243	1.7
405.31564	11.5
405.36084	2.4
423.32538	100.0
425.34164	2.6
433.30795	2.1
441.33621	74.6
441.39792	3.7
442.33868	3.0
451.32034	12.1
469.33148	33.9
581.34369	8.4
599.35669	2.8
627.35046	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.4
65.03935	3.3
67.05503	100.0
69.03426	22.3
69.06719	5.8
69.07064	58.2
70.40009	5.8
70.40395	9.4
71.04992	25.2
73.02892	3.9
77.18809	3.2
79.05492	93.9
81.03418	22.3
81.07059	90.1
83.04974	15.0
83.08620	14.7
85.02902	11.1
85.06541	5.6
91.03945	4.0
91.05477	65.0
93.06478	5.7
93.07048	85.4
95.04993	19.7
95.08610	58.5
97.02880	14.0
97.06527	68.8
97.10157	6.4
99.04464	5.1
99.08092	10.8
103.05434	5.1
105.07037	51.4
107.04960	10.4
107.08591	43.1
109.02863	5.3
109.06520	18.6
109.10168	22.3
111.08074	8.8
115.05479	3.0
115.07554	24.1
117.07036	22.9
119.08582	33.1
121.06468	5.9
121.10177	27.1
123.08099	8.8
123.11700	10.0
127.03925	5.3
129.07011	9.8
131.08568	26.7
133.10158	25.0
135.08069	10.3
135.11694	17.2
143.08582	11.6
145.06351	3.3
145.10149	20.7
147.08086	4.8
147.11699	10.6
149.09610	9.4
149.13255	11.3
155.08495	4.2
157.10121	9.5
159.11711	14.6
161.09579	8.8
161.13228	7.9
163.11154	4.3
169.10144	5.0
171.11682	5.9
173.04517	8.0
173.13266	8.2
177.12790	3.9
185.13275	3.6
199.14832	5.2
217.15924	8.0
233.15404	4.4
253.14418	5.4
255.17450	5.4
261.22031	7.7
269.17480	16.0
273.18457	29.9
291.19492	21.2
307.19150	7.1
335.25830	94.4
347.21945	7.9
365.23322	10.0
377.57080	3.7
515.37286	6.2
529.38995	27.8
564.15619	3.8
607.43597	7.0
625.44415	21.8
643.45563	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66813	2.7
61.02923	5.0
65.03941	6.1
66.64826	2.6
67.05502	100.0
69.03429	17.3
69.07066	53.4
69.23739	6.9
69.24149	24.2
71.05003	19.0
79.05492	86.2
81.03416	25.0
81.07056	97.4
83.04990	16.4
83.08627	12.6
85.02907	9.0
85.06573	3.7
91.05473	64.4
93.07042	75.3
95.04961	27.4
95.08602	58.3
97.02898	9.5
97.06528	67.8
97.10189	7.4
99.08100	3.9
105.07027	47.2
107.04951	13.9
107.08605	44.9
109.02863	4.1
109.06509	21.3
109.10149	25.8
111.08089	6.2
113.05995	3.4
115.05486	3.9
115.07563	23.2
117.07002	22.7
119.08590	31.7
121.06544	5.3
121.10136	28.0
123.08070	9.4
123.11735	4.0
125.09608	3.2
127.03919	4.7
129.07011	10.5
131.08566	32.2
133.06487	6.0
133.10126	22.1
133.57321	3.2
135.08031	10.5
135.11697	13.2
137.09576	4.1
143.08582	9.6
145.10101	14.9
147.08032	5.1
147.11703	11.7
149.09637	8.5
149.13292	12.6
151.11150	4.1
157.10159	10.3
159.08060	4.2
159.11697	15.6
161.09615	8.2
161.13280	8.4
163.11162	3.2
165.12770	3.8
171.11739	7.7
173.04594	2.8
173.09575	4.3
173.13280	10.4
175.11212	7.6
177.12706	4.3
183.11737	3.5
185.13274	4.4
187.14832	5.8
195.13763	3.3
199.14833	5.0
209.13409	2.9
213.12904	2.9
217.15961	8.7
227.17970	3.9
233.15268	3.5
240.24745	2.7
243.21243	3.5
245.19016	5.4
253.14363	4.0
255.17735	4.2
261.22226	8.1
267.15915	9.6
269.17419	13.4
273.18481	35.9
280.48230	2.8
291.19485	18.3
293.20999	3.6
335.25784	73.4
336.26013	3.9
347.22260	7.8
358.94901	2.7
365.23193	12.1
373.88861	3.5
391.28711	3.1
473.69122	3.0
477.16949	2.8
527.37756	3.4
529.38617	18.1
531.44434	2.9
607.43378	5.6
625.44598	10.4
643.45996	3.9
841.44684	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	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.3
65.03936	6.6
67.05499	83.8
69.03431	11.7
69.07066	41.0
69.66826	8.1
69.67236	14.9
71.04992	3.2
71.74892	3.1
79.05488	88.5
81.03423	16.0
81.06580	6.2
81.07048	90.8
83.04969	9.7
83.08620	17.8
85.02904	8.8
85.06535	5.3
91.04892	4.9
91.05473	90.9
93.07042	100.0
95.04938	18.4
95.08601	64.7
97.02881	7.6
97.06525	12.9
97.10156	10.1
99.04425	3.4
103.05472	4.8
105.07024	93.6
107.04941	6.6
107.08592	50.2
109.06513	10.1
109.10159	26.7
111.08067	6.1
115.05488	4.3
117.07008	37.2
119.08573	70.8
119.09367	6.2
119.54628	3.1
121.06490	6.1
121.10145	35.8
123.08083	6.1
123.11700	4.7
124.70369	3.7
125.09618	6.6
127.03896	4.8
128.06219	6.3
128.64516	3.5
129.05455	4.4
129.06975	27.3
131.08556	47.8
133.10115	52.2
135.08060	8.4
135.11684	22.2
136.23595	3.4
137.09572	4.5
141.06972	8.4
142.07803	4.1
143.08577	23.9
145.10101	38.4
147.08020	7.4
147.11690	43.3
149.09596	8.8
149.13245	14.8
151.11258	4.0
155.08530	13.5
157.10104	18.7
159.11693	31.4
161.09610	4.1
161.13263	13.8
163.11183	9.3
163.14717	3.4
165.12726	3.5
167.08511	5.5
169.10101	16.3
171.11682	22.4
173.09532	3.2
173.11969	4.0
173.13217	17.2
175.11221	3.8
175.14793	8.3
177.12738	5.9
181.10094	5.6
183.11687	16.2
185.13232	14.2
195.11780	5.8
195.13779	3.7
197.13347	7.0
199.14815	10.5
201.40926	3.9
205.10089	3.3
209.13254	5.1
211.14812	7.7
213.16380	5.3
221.13205	5.3
223.14861	5.1
227.12767	5.3
241.19446	15.0
255.15755	7.6
257.19006	9.1
259.20554	37.6
267.16071	4.8
269.17398	16.3
275.20050	17.7
315.23288	6.0
333.24240	42.0
335.26010	6.4
349.23877	13.0
351.24817	4.2
421.31128	5.5
435.32690	5.1
471.34238	3.3
513.35889	20.3
515.38245	4.6
527.37317	33.1
545.37805	7.0
607.43396	27.6
625.44659	26.8
870.08026	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.8
65.03919	4.4
67.05505	86.4
69.03442	7.3
69.07077	34.5
71.04990	7.2
79.05496	69.3
81.03426	17.6
81.06581	6.2
81.07053	100.0
83.04975	11.5
83.08614	15.6
85.02922	5.9
85.06546	6.0
86.30271	3.4
91.05482	77.3
92.91127	3.2
93.07046	83.5
95.04979	18.4
95.08610	61.0
97.02876	4.8
97.06528	15.5
97.10168	8.4
99.08099	4.3
105.07027	68.2
107.04942	11.7
107.08592	48.6
107.16283	3.3
109.06492	9.9
109.10145	24.4
111.08089	9.7
117.07002	29.1
119.08581	60.2
120.62063	2.9
121.06487	4.5
121.10139	35.9
123.08094	5.6
123.11682	7.6
127.03933	5.4
128.06209	3.4
129.06999	17.8
131.08578	39.8
133.06505	3.5
133.10130	48.7
135.08083	8.7
135.11678	24.2
137.09633	5.9
141.06984	6.4
142.07776	3.8
143.08569	19.8
145.10123	35.5
147.08087	3.1
147.11679	35.8
149.09618	12.1
149.13226	15.8
151.11211	5.0
155.08522	12.7
157.10150	20.3
159.11682	34.8
161.13266	18.1
163.11180	11.5
169.10135	9.6
171.11665	19.9
173.13277	18.8
175.11221	4.8
175.14778	4.3
177.12715	5.6
179.14427	4.2
181.10013	4.4
183.11696	11.5
185.13260	14.6
187.14836	8.8
191.14420	3.7
195.11729	6.2
195.13763	4.1
197.13312	9.1
199.14865	7.2
209.13280	8.1
211.14787	6.1
213.16396	3.4
223.14944	5.7
237.16711	3.3
241.19511	17.3
255.15974	10.1
257.18991	7.6
259.20593	42.3
267.15814	5.0
269.17441	24.9
273.18524	12.0
275.19989	19.9
277.21881	3.3
291.19565	9.3
315.23349	4.1
331.22598	4.2
333.24335	38.5
335.25845	19.1
341.24799	3.4
349.23743	12.1
365.23114	8.7
367.24664	6.5
379.26157	3.7
435.32422	10.9
453.33356	9.7
463.20346	3.3
471.34717	5.9
513.35938	17.2
515.36829	3.2
527.30029	4.7
527.37372	57.3
545.38330	11.9
553.38922	3.6
607.43909	17.0
625.44623	32.1
643.45575	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	11.7
67.05507	93.8
69.07068	38.2
71.57969	10.3
79.05496	84.9
81.03416	14.2
81.07061	89.8
83.04966	11.3
83.08607	26.3
91.05487	97.9
93.07035	100.0
95.04964	19.6
95.08595	63.3
97.02906	8.3
97.06548	12.3
97.10167	9.0
97.12749	7.1
97.91361	6.4
105.07032	76.5
107.04938	6.3
107.08597	48.5
109.06516	9.9
109.10156	20.7
115.05453	6.8
117.07032	33.2
119.08570	74.4
121.06483	10.4
121.10114	33.2
123.08105	8.1
125.09649	10.3
128.06194	9.0
129.07008	20.4
131.08543	36.4
133.10109	43.4
135.08069	9.5
135.11697	22.4
143.08572	23.2
145.10124	40.6
147.11732	29.5
149.09540	10.6
149.13258	11.1
155.08582	11.6
157.10143	19.7
159.11638	31.5
161.09589	7.3
161.13293	17.8
169.10109	16.1
171.11697	12.7
173.13266	17.7
175.11295	7.0
175.14838	11.4
183.11740	14.9
185.13332	11.0
193.10239	7.1
197.13197	8.7
199.14917	13.5
221.08049	6.0
227.12753	12.3
239.17952	7.9
241.19487	17.3
257.67477	7.8
259.20514	38.2
269.17371	16.8
275.20126	29.5
290.86554	6.9
333.24255	32.4
344.25662	21.5
346.45276	6.2
349.23849	17.4
381.55548	5.6
400.13797	6.0
513.35175	17.5
527.37109	25.5
607.43726	28.2
625.44226	23.7
840.55811	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	6.1
67.05502	75.0
69.03419	12.7
69.07072	38.8
69.24746	8.8
69.25172	20.5
69.47215	2.5
71.05005	2.8
79.05490	76.4
81.03419	8.6
81.07054	73.8
83.04972	10.0
83.08612	23.9
85.02911	4.2
85.06538	6.0
87.04483	5.2
91.04903	4.6
91.05476	77.3
93.07040	66.2
95.04977	18.3
95.08602	54.0
97.02887	9.5
97.06530	9.4
97.10172	22.2
98.21497	6.2
103.05457	4.2
105.07027	80.7
107.04936	12.7
107.08593	48.7
109.06512	12.1
109.10166	18.1
111.08046	5.5
115.05437	5.2
117.06995	32.6
119.08581	64.6
121.06532	4.2
121.10135	22.2
123.08061	7.3
123.11674	6.6
125.09612	18.0
128.06192	5.4
129.06985	18.6
131.08569	29.6
133.06506	4.9
133.10144	51.6
135.08051	7.3
135.11647	19.9
136.06194	11.0
137.09564	5.6
139.06462	2.6
141.07008	4.4
142.07802	3.9
143.08572	17.8
145.06416	5.1
145.10141	27.3
147.08052	9.2
147.11682	36.8
149.09621	5.2
149.13252	10.6
153.09152	2.7
155.08531	5.9
157.10114	16.3
159.11673	22.0
161.09604	4.5
161.13258	20.9
163.11139	3.8
167.08624	3.6
169.10149	4.4
171.11635	13.8
173.11914	2.7
173.13153	13.7
175.14813	9.0
183.11714	4.0
185.13225	9.0
187.14781	4.0
189.11206	8.5
195.11856	4.0
195.13867	3.3
197.13275	5.0
199.14867	6.3
211.14793	2.7
213.16403	3.8
215.17972	3.0
217.15886	2.7
223.13193	17.5
227.12778	12.9
227.17952	4.6
231.21169	3.7
239.17964	3.7
241.19507	19.2
257.19012	5.1
259.20578	48.0
273.18564	13.6
275.20059	21.2
291.19543	100.0
292.19705	3.7
310.02182	2.6
315.23087	6.6
333.24258	49.6
335.25757	13.9
349.23691	10.6
365.23236	37.4
379.29883	5.6
381.22525	3.8
525.35590	11.5
529.35358	3.7
543.36792	18.5
605.42065	7.0
623.42975	53.0
635.32574	3.2
641.43774	21.3
748.07220	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70596	2.1
61.23475	2.5
65.03934	4.8
67.05504	70.4
69.03432	8.3
69.07069	51.7
70.83379	7.0
71.04999	8.1
71.27185	2.6
74.47156	2.2
79.05495	74.7
81.03428	16.9
81.07055	88.1
83.04975	11.9
83.08627	18.6
87.04469	7.7
91.05479	80.0
91.05906	2.6
93.07047	73.3
95.01330	6.8
95.04984	19.8
95.08605	45.8
97.02895	5.1
97.06538	27.0
97.10168	10.4
103.05452	4.2
105.07031	88.7
106.07281	2.6
107.04950	18.2
107.08591	36.8
109.06521	9.6
109.10178	22.2
111.08056	6.0
115.05477	3.3
117.07022	27.3
119.08580	56.3
121.06500	6.7
121.10139	15.1
123.08083	7.4
123.11669	3.8
125.09643	7.5
129.07010	10.6
131.08563	36.9
133.10127	52.3
135.08066	4.9
135.11664	12.7
136.06203	26.9
137.09644	3.6
139.07471	3.5
141.06984	3.4
143.08574	7.6
145.10103	28.4
147.11682	27.9
149.09607	13.9
149.13264	9.3
151.11223	4.4
155.08598	3.7
157.10153	10.4
159.11703	19.6
161.13258	9.7
163.11209	9.3
165.09158	2.9
169.10136	5.5
171.11714	7.4
173.09570	2.7
173.13306	11.5
175.11221	2.6
175.14845	3.3
177.12746	5.1
179.14296	14.2
185.13272	5.8
187.11124	3.1
189.11195	5.6
195.11586	2.9
195.13736	2.4
211.14912	5.4
219.17371	3.5
223.13391	7.0
227.12825	6.5
229.19688	3.4
239.18123	3.9
241.19588	5.1
257.18918	11.8
259.20642	11.4
261.02499	2.8
269.17432	19.6
273.18494	8.3
275.20071	90.5
278.74362	2.5
279.15912	2.6
291.19550	41.5
293.21164	6.0
333.24146	11.7
335.25790	7.3
349.23718	50.0
350.83722	2.9
365.23166	14.9
367.25110	2.9
424.92950	2.0
431.27228	2.4
433.76898	2.4
485.95721	2.8
503.33298	4.4
525.36182	5.3
529.35248	21.1
543.36792	100.0
598.43500	3.1
605.41742	3.4
609.81396	2.8
623.43115	38.2
641.44165	14.8
687.40515	5.3
838.49677	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	833.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.5
67.05502	2.9
69.07075	1.1
71.57698	0.6
71.58070	1.1
79.05502	1.9
81.03402	0.7
81.07043	3.7
85.02926	1.0
91.05479	2.2
93.07037	3.3
95.08598	3.8
97.02911	0.8
97.06566	0.6
105.07039	3.1
107.08576	2.7
109.10155	1.4
111.08043	0.5
119.01079	2.7
119.01898	1.2
119.08563	3.6
121.05126	0.6
121.10166	1.4
131.08519	0.7
133.10126	2.0
135.11694	0.5
137.02118	2.8
145.10127	1.3
147.11719	1.6
159.11726	1.2
161.13213	0.6
163.00017	2.8
173.03015	0.7
181.01044	2.5
185.04214	5.5
189.16502	1.2
199.02194	1.8
201.16409	1.8
203.05313	1.6
203.17972	0.6
215.17998	1.0
217.03238	2.5
245.06548	3.6
257.58450	0.5
269.06314	19.3
269.17410	1.0
281.06326	4.9
299.07401	8.0
299.10519	0.7
343.06363	7.8
361.07397	43.9
362.07608	1.0
379.08459	5.4
474.45706	0.6
495.34528	1.2
512.71722	0.6
585.37061	0.8
616.16211	0.6
699.40833	0.9
833.42859	100.0
834.43286	5.7
862.90192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16124	1.5
61.36854	1.7
67.05499	2.4
70.92348	2.1
70.92692	3.7
72.45922	1.6
74.61803	1.5
79.05515	2.5
81.07066	4.1
81.81567	1.6
85.02905	2.5
91.05511	2.1
93.07060	2.2
95.08607	2.9
103.85395	1.7
107.08635	1.9
119.08559	1.6
135.11700	1.6
164.14923	1.7
203.31294	1.9
210.68506	1.9
219.18666	2.3
266.17053	1.9
273.05832	1.8
359.04095	2.4
377.04785	61.8
402.98535	1.8
499.46503	2.2
647.50800	1.8
833.40826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
65.03933	1.5
67.05502	10.2
69.03434	4.5
69.07062	3.2
70.06598	1.2
71.04977	1.4
71.57766	1.1
71.58177	2.0
73.02912	4.4
75.55328	1.0
79.05494	6.6
81.03423	3.0
81.07049	9.0
83.08616	2.8
85.02908	4.2
86.06065	2.1
87.04465	24.7
91.03980	2.5
91.05486	8.5
91.67096	1.1
92.05008	7.7
93.07023	7.5
94.06574	2.1
95.04972	2.2
95.08608	5.6
97.02904	4.2
98.06075	2.2
105.07061	3.7
106.06562	3.5
107.08614	3.2
109.10161	2.9
117.05768	3.4
117.06982	2.1
118.06537	28.4
119.07357	1.6
119.08588	2.4
120.08133	2.4
121.10146	2.9
127.03949	1.8
130.06548	3.5
130.76306	1.1
131.08577	1.3
132.08124	3.5
133.10150	1.6
135.46352	0.9
146.09726	2.1
149.09691	1.7
160.11209	1.6
184.07298	1.3
202.15891	10.6
204.10295	1.3
230.15387	81.1
231.15968	2.1
248.16467	9.8
267.15878	2.1
272.20084	1.7
304.19083	6.6
322.20035	6.6
334.20203	18.1
334.23917	4.4
335.25974	3.9
527.37555	1.2
582.41632	3.1
624.43933	1.7
650.45319	2.3
655.66058	1.2
668.44226	6.0
768.48895	1.6
812.50616	1.4
830.50439	100.0
831.50800	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	830.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04522	2.5
61.02917	5.1
65.03949	1.7
67.05499	11.8
69.03429	5.3
69.07056	3.3
70.06578	2.0
71.04996	1.2
71.57924	1.1
71.58333	1.2
73.02918	5.3
79.05489	10.6
81.03419	9.0
81.07052	12.8
82.06560	1.1
83.04980	0.9
83.08630	2.6
85.02909	5.7
86.06066	1.3
87.04463	24.3
91.03960	2.0
91.05464	9.3
92.04996	10.4
93.05798	1.3
93.07039	10.3
94.06589	2.2
95.04964	4.1
95.08601	8.0
97.02885	4.2
97.06542	1.3
97.10189	1.2
98.06063	1.9
101.02382	1.1
105.06995	4.3
106.05007	4.9
106.06551	4.0
106.17325	0.8
107.04955	0.9
107.08570	3.6
109.10157	3.3
110.06097	0.8
111.08137	1.3
115.05431	0.9
117.05721	4.7
117.07062	1.3
118.06534	32.9
119.07338	2.7
119.08591	2.3
120.08109	2.7
121.10164	3.1
127.03928	1.2
129.06973	1.2
130.06535	3.2
131.07349	1.0
131.08566	2.9
132.08116	3.4
133.10146	2.0
134.09662	0.9
135.11693	1.6
144.06573	1.3
144.08145	1.0
145.10155	1.0
146.09668	0.9
147.11639	1.5
149.09590	1.8
160.11279	0.9
162.09239	0.9
182.15471	0.8
190.12296	1.5
193.12178	1.8
202.15929	8.0
204.10213	2.1
208.13397	2.2
210.14951	1.7
225.25253	0.8
226.14420	2.2
228.16008	0.9
230.15385	96.2
231.15724	3.6
248.16455	11.3
252.16063	2.2
256.15720	1.0
261.22205	2.1
267.15869	8.8
268.16241	0.7
270.17099	1.4
272.20035	0.9
304.19058	10.7
316.19040	1.0
322.20099	4.8
334.20209	16.0
334.23843	4.0
335.25833	9.1
358.69293	0.8
359.83514	0.7
404.26764	0.8
450.89621	0.8
527.37213	2.6
545.38647	1.7
564.40735	1.2
582.41522	3.6
606.42419	0.7
624.41901	1.6
632.41461	1.5
650.43463	4.2
668.44574	9.4
812.50476	1.1
830.50397	100.0
831.50616	9.5
862.21539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.5
67.05500	0.9
69.07083	0.4
69.07432	0.4
69.59065	0.9
69.59473	2.4
71.62188	0.4
81.07063	0.7
86.09711	0.8
91.05481	2.6
92.04997	4.3
93.05780	0.8
93.07034	0.7
94.06566	0.8
95.08601	0.6
98.21478	0.6
106.06554	2.0
109.10168	0.6
112.42357	0.4
113.77238	0.5
114.22835	0.4
115.05441	0.5
117.05750	2.1
118.06538	16.4
119.07336	1.5
120.08105	1.7
125.00013	0.9
130.06540	1.7
132.08067	3.6
134.09656	0.5
137.08302	0.7
137.12637	0.5
144.08102	1.1
146.09665	1.2
152.63045	0.4
162.09140	19.6
163.09918	7.5
164.10706	0.7
176.10709	3.7
177.11430	0.4
184.07330	3.6
190.12270	1.2
194.61636	0.4
202.15907	3.4
204.13876	0.6
218.15347	0.6
227.20164	1.0
230.15398	26.1
231.15845	0.7
246.18576	0.6
248.16425	0.9
262.18369	0.8
272.20190	0.6
274.18005	47.3
275.18393	1.3
292.19058	73.6
293.19336	1.6
304.18951	0.7
318.20633	0.8
332.22104	1.3
334.23636	2.4
348.21667	9.1
366.22769	4.9
574.22845	1.4
586.45148	0.5
592.23669	1.6
604.45691	100.0
605.46069	4.8
646.46594	2.0
676.47198	0.8
732.50171	1.1
830.46460	16.3
831.46692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.8
63.88865	0.7
67.05501	5.9
69.03435	3.9
69.07083	1.2
70.70945	1.2
70.71280	1.3
73.02921	4.6
79.05500	5.5
81.03426	1.5
81.07064	7.4
83.08649	1.4
83.65585	0.9
85.02904	6.8
91.03969	4.6
91.05464	4.2
93.07042	6.1
95.04983	1.6
95.08601	5.2
97.02892	6.3
101.02428	2.4
105.07078	1.9
107.08611	2.0
109.10210	2.0
119.08613	1.1
121.10163	2.2
127.03918	1.8
131.08572	1.2
133.10204	1.0
145.10120	0.9
147.11708	1.3
171.06387	0.7
180.38374	0.8
185.04210	1.2
333.20465	4.2
335.25882	1.0
440.04849	0.8
453.21396	0.9
519.29279	8.6
551.28101	4.2
731.43585	1.3
829.50696	100.0
830.50763	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.8
67.05508	5.5
69.03421	2.1
71.58653	1.1
73.02913	2.9
79.05485	3.2
81.07067	3.5
85.02896	2.7
91.03960	1.8
91.05476	2.7
93.07058	3.7
95.08614	3.0
97.02898	2.7
101.02354	1.3
105.07064	2.0
107.08613	2.5
112.42241	0.9
117.07055	0.8
119.08578	1.2
121.10158	1.3
127.03922	1.1
127.10677	0.9
131.08508	1.0
135.11699	1.0
158.97853	0.9
173.37651	0.8
210.67241	1.0
243.08359	1.2
250.49304	0.9
333.20398	1.7
335.25381	1.1
391.13971	1.1
519.29346	7.3
551.28241	2.8
829.50616	100.0
830.50983	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	829.506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85224	0.4
61.02927	4.8
67.05504	4.1
68.10287	0.4
69.03419	3.1
69.07056	1.5
73.02915	3.9
79.05493	4.9
81.03420	1.7
81.07044	4.0
85.02893	4.2
87.04433	0.5
91.03951	2.4
91.05470	4.8
93.07030	5.9
95.04964	0.9
95.08607	2.9
97.02271	0.5
97.02880	3.4
98.21623	0.6
99.04448	1.0
101.02374	1.9
105.07021	4.9
107.08577	2.7
109.02892	0.7
109.06508	0.6
109.10165	1.0
117.07017	1.1
119.08584	3.4
121.10146	1.9
123.04250	0.4
127.03899	1.3
129.05498	0.5
129.06989	0.6
131.08563	1.3
133.10124	2.7
135.10782	0.3
135.11681	1.7
135.21945	0.4
143.08545	0.7
145.10135	1.2
147.11714	1.4
149.13260	0.4
159.11700	0.7
161.13348	0.5
171.11702	0.9
171.53194	0.3
173.13319	0.5
184.07352	0.8
185.04172	1.7
201.03769	0.6
203.05202	0.6
243.08386	3.6
259.20627	0.8
301.08835	2.2
313.08865	0.5
315.10483	1.1
317.20963	1.0
327.10654	0.5
357.15424	0.5
373.11310	0.7
385.18710	0.6
397.18402	0.7
415.24561	0.5
437.21188	0.5
465.21042	1.5
525.22998	1.8
535.28809	17.4
536.29004	1.0
607.30786	1.4
621.32385	0.8
691.40131	0.5
829.50623	100.0
830.50928	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	828.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.3
65.02830	0.9
65.03925	2.0
67.05502	31.5
68.05027	1.7
69.03077	1.2
69.03425	14.7
69.07062	9.0
69.34941	4.5
69.35361	3.5
70.06585	7.1
71.01348	1.2
71.04992	4.2
73.02891	2.9
79.05489	25.0
79.44916	0.8
80.05007	2.4
81.03411	17.8
81.07047	31.2
82.06556	3.0
83.04983	5.5
83.08611	6.5
84.04495	7.8
84.08132	3.8
85.02900	7.2
85.06517	1.2
86.06062	48.1
87.04468	21.1
91.03938	2.6
91.05477	18.1
93.06478	1.8
93.07040	27.6
94.06538	2.0
95.04968	8.9
95.08601	22.0
96.08114	2.7
97.02885	7.2
97.06532	6.4
97.10172	2.1
98.06052	38.5
99.04381	0.8
101.02382	1.3
102.05533	1.9
103.05499	1.0
104.07095	25.0
105.07030	11.1
107.04944	2.4
107.08585	11.1
108.08077	1.1
109.06480	2.3
109.10133	6.5
110.06011	1.0
111.08072	2.0
112.07600	16.6
117.06989	3.2
119.08561	7.6
121.06519	1.3
121.10142	13.3
122.06049	1.1
123.08033	2.3
123.11664	2.0
124.07575	3.8
125.09623	1.4
126.05512	4.9
126.09144	2.2
127.03931	1.9
129.06970	1.8
131.08536	7.0
133.06499	0.9
133.10129	6.0
135.11690	5.9
137.09648	0.9
138.05504	0.9
138.09113	1.6
138.12787	3.0
139.11159	1.2
140.07040	3.7
142.08611	4.5
142.44830	0.8
145.10103	2.1
147.07988	1.6
147.11766	4.5
148.07541	3.3
149.09615	28.1
149.13234	3.1
154.08595	2.7
157.10141	4.1
158.08113	8.1
159.11697	2.4
165.12767	2.7
166.12247	3.2
167.10687	1.3
175.11179	3.8
177.12715	2.4
182.15404	2.5
184.07309	2.0
184.13344	2.5
186.27682	0.9
187.14929	1.3
193.12253	9.5
194.15410	1.3
195.13756	0.9
206.15434	1.5
210.14868	7.3
211.13232	1.8
224.16434	2.3
230.45435	0.8
234.14917	2.2
250.17986	3.1
252.15918	10.6
260.16437	5.4
261.22110	4.3
267.15918	22.4
268.19034	2.7
270.16986	2.0
278.17554	11.8
286.20148	0.9
296.18661	6.4
301.25125	1.0
314.19479	2.1
326.19495	2.3
335.25806	24.9
336.42767	1.0
344.20593	3.4
351.81479	1.0
352.20947	1.8
362.21622	2.3
370.22171	5.3
388.23138	3.2
453.33499	1.1
527.37360	8.7
545.38409	5.0
582.08374	0.9
604.41913	6.1
622.43042	41.5
623.42975	1.0
630.43866	4.4
648.44696	100.0
649.44733	3.4
666.46033	1.5
670.07642	1.0
766.46906	2.5
784.48010	3.7
808.13080	1.0
810.49884	40.4
811.49689	1.9
820.82562	1.2
828.51917	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	828.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.8
58.78244	1.5
61.02918	11.2
62.05406	1.4
65.03926	2.9
67.05169	2.7
67.05502	34.3
68.05040	1.8
69.03423	18.4
69.07068	12.0
70.06586	13.4
71.04991	5.1
73.02909	2.7
79.05489	35.3
79.05956	1.7
80.05007	3.1
81.03408	13.5
81.07052	40.0
82.06572	2.2
83.04968	6.5
83.08620	6.5
84.04498	8.8
84.08144	3.4
85.02898	10.7
86.06062	60.4
86.09727	1.9
87.04461	23.2
91.03954	6.1
91.05474	20.5
92.24086	1.8
93.07034	35.0
95.04971	9.0
95.08598	30.0
96.08135	2.8
97.02883	9.3
97.06534	6.9
97.10181	3.0
98.06048	94.4
100.07564	1.8
104.07103	19.0
105.06998	12.7
107.05003	2.4
107.08578	13.3
109.02829	1.8
109.10158	10.7
111.08076	2.0
112.07596	11.9
117.07038	2.9
119.08568	8.6
121.10143	19.8
123.11712	2.7
124.07608	4.8
126.05513	13.3
126.09118	3.8
128.07098	1.9
129.07021	2.6
131.08562	10.5
133.10123	5.2
135.11665	5.1
140.07033	2.1
142.08636	6.9
145.10136	3.4
147.11693	6.1
148.07573	4.2
149.09599	39.0
149.13174	3.3
151.11183	2.0
154.08600	7.9
157.10112	2.1
158.08171	8.5
159.11728	2.5
163.06158	2.0
165.12706	2.7
166.12263	4.7
167.10667	2.3
173.13225	1.9
175.11217	2.4
177.12700	2.2
184.07347	3.5
184.13341	5.2
193.12276	8.4
206.15442	6.0
210.14885	5.9
224.16512	7.9
232.16870	1.9
234.14912	7.0
243.21091	2.4
250.18013	4.0
252.15959	32.6
260.16507	5.1
261.22180	4.1
267.15927	21.4
268.19159	2.3
278.17566	11.5
296.18576	4.2
326.19907	1.9
331.37610	1.7
335.25763	33.1
344.20734	3.8
352.21246	2.1
362.21823	5.9
370.22232	4.9
388.23343	6.0
505.50522	1.5
527.37256	8.8
604.42230	7.8
622.43085	85.4
623.43231	2.6
630.43481	4.5
642.59418	1.7
648.44672	100.0
649.44855	5.1
666.45581	4.2
784.48425	17.0
810.49902	39.4
810.64197	1.4
828.50208	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	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.6
65.03918	1.1
67.05497	6.8
69.03435	2.9
69.07085	1.1
70.64005	1.6
70.64365	2.9
73.02919	5.8
74.94364	0.8
79.05486	4.1
81.03393	1.8
81.07059	5.2
85.02908	4.4
91.03987	1.4
91.05469	3.4
93.07050	4.5
95.04992	1.6
95.08584	3.4
97.02896	6.3
99.04457	1.6
101.02401	1.5
103.71327	1.1
105.07040	1.4
107.08611	1.8
109.10159	1.8
117.30972	1.0
119.08594	2.1
121.10211	1.9
121.69901	1.0
127.03877	1.4
133.10129	2.1
143.08492	1.1
145.10210	1.4
223.13222	1.1
243.08472	2.7
305.13651	1.0
331.18774	6.3
519.29126	9.1
549.26855	2.6
827.49109	100.0
828.49304	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	828.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	23.0
63.50045	1.6
67.05499	15.7
69.03423	3.4
69.07061	17.7
70.77811	1.8
71.04999	2.9
71.08614	2.0
71.57434	2.5
72.95273	1.6
73.02908	10.5
79.05469	10.7
81.03408	3.5
81.07050	39.3
81.70067	1.6
83.04962	1.7
83.08611	10.1
85.02899	42.7
91.03957	25.3
91.05471	13.8
93.07033	27.8
95.01344	12.3
95.08599	66.8
97.02887	23.8
97.10164	5.0
99.00835	2.2
103.03925	3.7
105.07023	22.7
107.08585	40.2
109.10148	48.1
111.11736	2.7
113.02380	2.5
117.06997	5.1
119.04900	2.4
119.08580	58.1
121.10129	36.1
123.11699	23.4
127.03909	19.1
129.06970	2.6
131.08546	15.7
133.10117	20.6
135.11684	32.4
136.06186	9.9
137.05959	4.8
137.13232	15.7
141.01813	59.9
143.08627	8.3
145.04947	21.8
145.10120	22.7
147.04414	5.4
147.11673	18.5
149.13258	30.0
151.14789	3.3
157.10118	9.7
157.11165	1.6
159.02896	14.4
159.11681	13.2
161.13243	18.7
163.06007	51.4
163.07385	3.9
163.14809	7.5
165.12747	1.7
167.06978	2.5
169.10120	2.9
171.11728	4.5
173.13327	8.4
175.14859	12.9
177.03908	3.8
177.05434	2.3
177.16370	9.0
178.73239	2.0
179.17960	1.7
187.14772	11.9
189.16406	19.9
191.14349	2.1
191.17940	67.5
194.32481	1.7
197.13432	1.9
199.14806	16.3
201.16347	15.1
203.17949	32.3
205.15883	6.3
205.19495	36.1
211.14667	2.0
213.16415	7.1
215.17902	1.9
217.15901	11.1
217.19424	13.0
219.13820	2.2
219.17471	6.8
221.15599	1.8
221.34232	1.6
231.17456	10.1
231.21066	4.0
237.14825	5.8
245.15340	6.0
245.18950	2.4
245.22641	8.8
247.16919	3.9
251.16379	3.7
259.20401	2.3
263.16370	9.6
265.17999	8.7
277.18134	8.3
285.06171	2.7
287.05197	2.1
305.21014	3.8
330.19559	1.9
331.22836	1.6
334.56183	1.7
339.09009	3.4
351.25107	2.7
371.25510	2.3
383.41504	1.7
409.34509	9.7
417.68613	2.0
437.34113	5.3
455.35172	100.0
456.35297	4.1
539.86505	1.9
828.43182	9.7
828.58185	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
67.05511	5.2
69.03431	1.9
69.07063	2.2
69.88715	1.2
69.89133	1.6
70.66182	0.4
73.02911	2.8
79.05496	4.3
81.03416	1.4
81.07057	3.9
81.64182	0.5
83.04963	0.6
83.08643	0.5
85.02905	3.3
91.03960	2.4
91.05479	4.2
93.07051	4.8
95.05003	1.6
95.08606	3.2
97.02908	3.3
97.06495	0.8
99.04448	0.7
101.02384	1.2
105.07024	3.8
107.04982	1.1
107.08578	2.3
109.02881	0.7
109.06496	0.5
109.10171	2.7
111.08035	0.5
111.55424	0.5
115.03889	0.6
117.07047	1.6
119.08607	2.2
121.10135	1.2
127.03969	0.6
131.08583	1.5
133.10109	2.7
135.11705	0.9
142.02849	0.5
145.10159	1.3
147.11723	1.0
159.11714	0.8
185.04268	1.2
187.11252	0.6
229.14378	1.6
230.14908	0.5
243.08476	3.5
301.08917	1.0
313.27463	0.8
315.10724	0.5
315.19342	4.0
371.17090	0.6
371.22031	1.3
373.11249	0.7
417.22769	0.6
465.20895	0.7
467.37329	0.8
468.37808	0.9
503.55099	0.7
533.27271	10.3
535.28851	7.8
605.29272	1.4
827.49176	100.0
828.49231	6.5
846.62799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83294	0.9
59.04990	3.5
61.02922	12.9
67.05501	72.3
69.03413	3.1
69.07059	6.8
70.84048	1.7
70.84410	1.9
71.04982	2.1
71.08630	18.9
73.02910	4.2
79.05488	2.2
81.07059	18.0
83.08619	10.2
85.02905	12.2
85.06536	3.6
85.10175	9.8
89.06042	0.8
91.03947	7.9
91.05479	3.9
91.61469	0.8
93.07043	2.8
95.08603	16.9
97.02875	6.9
97.10167	3.4
99.04443	1.0
103.07588	1.1
107.08581	1.7
109.10152	69.9
110.10513	1.4
111.08070	1.5
119.08537	5.2
123.11690	1.5
127.03889	3.5
137.09563	2.1
145.04942	3.7
155.10637	3.0
163.05988	3.7
173.11742	19.7
173.78462	0.9
229.14348	100.0
230.14679	1.3
239.23805	1.3
257.24652	1.4
313.27344	80.4
314.27664	1.6
467.37320	69.1
468.37579	2.0
551.45288	0.9
728.31854	1.0
826.47412	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	826.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.7
61.02920	10.6
65.03924	1.1
66.03746	0.8
67.05502	65.6
69.03410	2.3
69.07065	7.1
71.04982	3.0
71.08629	19.2
71.57742	0.9
71.58117	1.2
73.02903	3.3
79.05503	2.4
81.07050	17.7
83.08614	11.2
85.02900	12.2
85.06534	2.9
85.10187	10.2
91.03941	7.7
91.05463	3.1
93.07024	2.1
94.24290	0.8
95.08603	17.7
97.02879	6.1
97.10154	4.1
98.66421	0.9
99.04471	1.0
105.07096	1.0
107.08573	1.6
109.10150	67.8
111.08094	1.9
111.11722	1.1
115.03947	1.0
119.08575	5.2
123.11713	2.3
127.03914	3.8
137.09621	2.6
139.14941	0.9
143.36115	0.9
145.04941	3.1
155.10658	3.1
163.06000	5.1
173.11734	16.4
173.48886	0.8
229.14337	84.3
239.23666	1.8
257.24670	1.8
313.27344	89.5
314.10315	0.9
467.37305	100.0
468.37531	1.9
826.48151	5.4
826.61786	1.1
827.48627	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	826.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80543	2.2
61.02911	5.4
67.05495	12.5
69.03418	9.9
69.07053	7.4
70.06577	9.2
71.04991	3.1
73.02907	5.8
79.05471	7.7
81.03394	6.7
81.07056	29.0
83.08614	4.1
85.02895	55.8
91.05458	10.8
92.55792	2.4
93.07040	20.6
95.01333	17.9
95.04964	5.8
95.08595	38.0
97.02882	21.5
97.06516	8.3
101.02397	2.4
105.07025	26.0
107.08585	30.9
109.02850	5.0
109.09460	3.3
109.10143	22.5
113.41193	2.1
117.06992	4.9
119.07786	4.4
119.08569	45.1
120.87838	2.1
121.10125	25.7
123.08054	3.8
123.11653	11.1
127.03916	14.2
131.08528	14.8
133.10110	30.6
135.10796	2.4
135.11674	14.4
141.01805	43.0
143.08525	5.8
145.04926	19.5
145.10086	29.1
147.11630	17.9
149.09628	3.4
149.13268	13.5
157.10115	6.3
159.02908	4.2
159.11682	19.8
161.13248	18.7
163.06009	6.1
163.14848	10.9
171.11708	6.2
173.13240	16.5
175.14803	20.0
177.16367	24.9
180.08781	2.4
185.13278	3.3
187.14810	46.8
189.16364	52.5
191.17924	9.3
199.14795	12.2
201.16359	26.2
203.17953	15.7
205.15858	6.2
207.17412	3.0
211.14769	3.1
213.16360	6.9
215.14204	2.3
215.17967	5.3
217.15894	9.4
217.19476	3.7
219.17372	6.7
229.15701	2.9
233.18903	5.6
235.16882	4.8
239.17915	4.3
241.19473	3.1
249.18564	3.9
267.21054	3.2
316.11832	2.6
349.28793	4.6
369.27365	2.7
389.31946	10.2
395.29330	3.1
407.33069	80.9
409.34860	17.0
422.18832	5.5
425.34222	15.0
435.32535	39.4
444.39398	2.5
453.33630	100.0
454.34158	3.0
509.69403	2.7
698.23584	2.5
826.50018	4.0
827.39972	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	826.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.5
63.66394	0.7
67.01006	0.9
67.05501	6.3
69.03429	6.4
69.07072	4.4
70.06564	1.3
71.01341	1.5
71.04996	1.8
71.57423	1.5
73.02916	2.1
79.05495	5.0
81.03406	3.3
81.07056	20.1
83.08609	2.5
85.02903	32.1
89.93085	1.0
91.03938	2.1
91.05482	4.5
93.07044	11.1
95.00769	1.0
95.01328	13.3
95.04981	1.2
95.08604	20.4
97.02888	11.7
97.06524	4.2
97.10161	2.3
99.00814	1.5
99.04442	1.3
101.02348	1.1
103.03893	0.8
105.07023	15.4
107.08600	15.2
109.02866	2.0
109.06465	1.4
109.10148	14.1
113.02365	1.7
117.06973	1.5
119.08575	23.1
121.10146	12.9
123.11719	4.6
125.09620	1.2
127.03920	5.8
129.07005	2.0
130.07779	1.2
131.03442	1.0
131.08572	6.5
133.10126	11.3
135.11714	5.7
137.05899	0.8
137.13307	0.9
141.01820	25.6
143.08562	3.1
145.04965	10.6
145.10117	13.5
147.11685	11.3
149.13261	6.9
157.10126	4.9
158.26993	0.9
159.02919	3.0
159.11696	10.9
161.09605	1.0
161.13239	8.6
163.06006	3.5
163.14827	6.9
169.08696	0.8
169.10139	2.6
171.11633	3.8
173.12100	0.8
173.13286	7.3
175.14828	13.8
177.12775	1.0
177.16379	9.2
180.08664	1.1
183.11742	1.6
185.13258	3.9
187.14812	23.8
189.16377	20.9
191.17897	4.0
199.14790	4.5
201.16379	20.1
203.14250	1.1
203.17938	11.6
205.15842	6.2
207.17479	1.8
211.14821	1.7
213.16357	4.8
215.17900	4.9
217.15802	3.9
217.19386	1.1
219.17435	4.1
221.15396	1.9
223.14940	1.1
225.16374	4.1
227.17960	1.8
229.19437	1.3
231.17415	2.4
233.18990	2.8
235.16940	2.2
237.16347	1.2
239.17957	3.8
241.19518	2.2
247.16899	2.7
249.18475	1.8
253.19475	1.7
259.16931	1.2
265.19614	1.1
267.21082	1.9
279.21054	1.3
281.22601	3.8
283.20636	1.1
283.24039	1.4
293.22638	1.3
293.47250	0.9
321.08255	1.2
327.23105	2.3
343.26062	1.2
343.52991	0.8
349.28915	1.8
358.36435	0.8
379.33612	1.5
389.32138	4.5
395.29480	1.0
407.33054	59.9
409.35016	2.2
409.64954	1.0
425.34174	11.6
435.32596	25.3
453.33627	100.0
454.33820	1.8
471.34689	2.8
483.57687	1.0
565.35376	1.4
569.01788	0.9
611.35663	1.0
629.36938	2.0
837.66907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.7
67.05501	7.9
69.03418	3.5
69.07062	5.9
71.04996	0.8
73.02918	2.8
79.05487	4.9
81.03418	1.9
81.07056	6.5
83.04987	1.4
83.08667	0.9
85.02901	4.7
91.03975	2.2
91.05477	6.6
93.07040	6.8
95.01347	1.6
95.04974	1.9
95.08603	4.7
97.02914	3.0
97.06561	2.2
98.21568	1.2
101.02396	1.4
105.07018	6.7
107.04983	2.1
107.08612	2.1
109.10174	2.8
117.07024	2.1
119.08594	3.0
121.10149	1.3
125.09624	1.0
131.08574	2.3
133.10133	4.0
135.11679	0.8
137.09579	0.6
140.64090	0.6
145.10184	1.4
147.11729	1.4
149.09666	1.5
159.11768	1.0
163.11147	0.8
172.31720	0.7
179.14354	1.8
180.70770	0.7
203.05330	0.7
229.14378	3.0
243.08435	3.7
275.20132	1.8
292.46497	0.8
312.77295	0.6
313.27429	1.8
315.19229	5.2
315.34863	0.7
343.19568	0.9
371.21948	2.1
378.32495	0.7
381.21603	0.8
467.37488	2.2
533.27203	20.5
630.95905	0.7
804.30707	0.9
825.47479	100.0
826.47583	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	825.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75204	1.7
67.05492	4.6
68.66819	1.7
69.03422	3.1
69.07062	2.4
70.06580	2.0
71.57954	2.6
79.05485	2.5
81.03422	2.5
81.07055	6.0
85.02910	4.5
91.05453	4.4
95.04951	2.2
95.08626	3.6
97.02943	2.2
97.06540	1.8
105.07029	4.6
107.08574	5.2
109.10145	1.9
118.06551	5.0
119.08553	6.5
121.10099	3.5
131.08521	2.2
133.10139	2.5
134.49541	1.9
136.06102	2.1
137.05923	1.8
144.08093	1.7
145.10110	3.0
146.06015	4.6
147.04465	2.2
147.11691	3.0
152.99245	1.7
171.11678	1.9
175.14902	2.3
177.00832	2.1
187.20372	1.6
188.07079	3.1
189.16406	2.4
190.12291	1.6
230.15446	5.3
233.09743	1.8
243.08482	2.5
347.09787	4.5
405.13907	3.8
445.25641	4.7
451.32101	6.4
469.33258	7.5
476.30316	4.0
501.28137	3.2
593.85175	2.3
663.33691	13.2
665.73804	1.8
825.38599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	56.7
67.51479	5.2
69.07056	16.1
71.03245	14.2
71.03598	7.6
78.00317	6.1
79.05497	55.2
80.08141	5.4
81.03380	5.7
81.07049	51.6
91.05473	53.6
93.07032	51.1
93.37289	5.6
95.08607	43.3
97.10149	6.5
105.07022	52.8
107.08603	32.6
109.10141	12.4
117.06994	25.0
119.08571	38.4
121.10120	27.6
129.06981	18.6
131.08571	29.5
133.10127	30.6
135.11641	13.2
141.06940	10.4
143.08513	18.2
145.10133	33.5
147.11638	21.8
155.08534	16.1
157.10127	15.0
159.11668	17.2
161.13225	17.4
167.08571	9.8
169.10063	15.0
170.46724	5.7
171.11647	17.3
173.13278	11.2
181.10065	6.4
183.11687	12.2
184.07320	7.0
185.13184	8.7
195.11650	6.0
197.13203	14.9
199.14809	7.0
209.13188	6.4
241.19342	6.3
251.18040	12.7
257.18796	7.0
333.24268	7.8
335.25784	8.1
351.26495	6.7
366.54846	6.3
517.40247	16.8
535.41443	8.9
591.43738	14.7
609.45111	100.0
719.95276	6.5
771.50244	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12154	4.4
67.05505	85.8
69.03427	9.1
69.07068	27.9
71.58594	6.3
75.24064	4.2
79.05488	93.7
81.03418	8.5
81.07060	81.4
83.04961	5.6
83.08628	25.7
91.05477	60.9
93.07042	76.1
95.04945	8.2
95.08604	43.5
97.10169	46.7
105.07021	54.5
107.03883	4.7
107.08580	100.0
109.06518	7.3
109.10160	23.5
117.07021	19.3
119.08595	35.3
121.10123	23.1
123.11717	5.5
125.09607	39.9
129.06961	4.3
131.08601	19.2
133.10162	28.4
135.11720	15.7
145.10144	26.2
147.11661	22.8
149.09653	7.8
149.13249	7.4
155.08586	6.3
157.10114	8.7
159.11699	17.0
161.13237	8.9
169.10069	6.0
171.11736	5.8
173.13310	11.2
189.11220	20.3
196.53755	4.9
201.16478	4.9
227.12788	90.2
239.17955	6.3
241.19728	5.2
257.18994	11.4
259.20605	5.3
261.22153	15.1
275.20078	51.3
331.22629	6.4
335.25803	85.9
349.23657	67.7
505.34998	6.5
609.44940	75.7
610.46313	6.7
627.45673	12.3
825.48523	5.9
844.57111	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	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.4
61.02924	3.3
62.10336	1.8
65.01322	1.7
65.03931	6.0
67.05503	100.0
69.03428	9.1
69.07066	36.8
69.37033	3.3
69.37447	13.4
71.04990	4.4
76.67463	1.3
79.05491	78.0
81.03423	9.6
81.07056	95.8
83.04980	7.4
83.08608	13.2
83.71828	1.3
85.02910	5.8
85.06541	3.7
87.04483	2.0
91.05477	61.7
93.07039	78.9
95.04975	13.6
95.08606	61.1
97.02894	4.1
97.06531	11.1
97.10143	5.0
99.04415	2.3
99.08109	3.8
103.05453	1.7
105.07029	43.9
107.04968	5.1
107.08593	46.1
109.06503	6.4
109.10143	22.0
111.04469	1.4
111.08102	3.9
117.07018	20.2
119.08586	34.2
121.06481	3.0
121.10139	28.4
123.08073	4.5
123.11706	6.8
125.09627	2.6
127.03880	3.1
128.06183	1.8
129.07047	7.5
130.07732	2.4
131.08575	27.6
133.06523	2.9
133.10127	26.2
135.07983	3.6
135.11676	17.1
137.09628	3.3
137.13342	1.5
140.48175	1.6
141.06975	3.5
142.07805	1.6
143.08533	7.3
145.10126	16.7
147.07968	1.7
147.10699	1.7
147.11664	10.7
149.09630	7.8
149.13255	12.7
151.11250	2.0
155.08569	2.5
157.10129	6.5
159.11685	15.3
161.09596	1.6
161.13293	6.4
163.11192	4.3
163.14857	4.1
169.10110	3.5
171.11642	3.4
173.04416	1.8
173.11940	2.0
173.13260	7.3
175.14754	2.1
177.12683	2.0
183.11662	2.1
185.13271	5.1
187.14772	3.4
195.13872	4.2
197.13280	3.0
199.14854	3.5
201.16402	2.7
213.16376	2.0
219.17494	2.3
227.12769	1.6
229.14316	3.7
229.19456	2.3
239.17924	4.1
243.21075	2.9
255.15924	5.1
257.18973	7.3
261.22122	5.9
269.17480	18.5
275.20062	20.3
293.21109	2.8
309.20566	4.8
317.24884	1.8
331.22702	2.9
333.24329	1.6
335.25790	89.2
336.26129	5.0
349.23706	15.0
367.24844	2.2
413.22137	1.9
489.36246	2.2
515.37457	7.5
529.38849	36.1
569.42072	14.7
570.41785	1.8
609.45026	16.8
610.44952	1.9
627.45404	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	824.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66008	1.1
65.03940	4.7
67.05495	2.5
68.28999	0.9
69.03419	1.7
69.59554	0.8
71.04965	1.6
71.57273	1.9
75.04468	2.1
78.04721	1.8
78.09106	0.9
79.05477	4.5
81.03391	2.1
81.07041	1.8
81.39916	1.0
85.02898	5.9
91.05467	9.8
91.76656	0.9
93.03393	7.6
93.07043	5.5
94.70007	1.0
95.04998	4.9
97.02890	1.8
97.06525	2.3
103.05460	13.7
105.03378	1.4
105.07038	5.8
106.04164	15.4
107.04943	6.5
109.06486	2.5
110.03665	1.7
111.04438	2.1
115.05437	2.8
117.07005	3.4
118.04138	2.7
119.04913	2.3
121.06499	16.4
123.04440	4.9
124.05193	2.6
125.05983	8.7
130.04114	1.1
131.04932	13.3
131.08490	1.4
132.05647	1.2
133.02905	1.0
133.06531	6.7
134.03639	3.0
135.04446	1.7
135.08029	1.9
137.05978	4.8
139.07529	2.8
145.02841	2.1
145.06471	4.8
146.03542	1.2
147.04428	1.6
147.08064	2.1
148.05193	9.9
149.05978	30.4
151.03915	2.9
151.07547	2.4
153.05424	2.8
153.09087	8.4
155.07077	1.2
157.06474	1.1
159.08017	1.7
161.05981	7.0
163.03857	2.6
163.07542	15.3
165.05470	1.9
167.07039	39.7
171.06512	2.2
173.06020	5.2
175.07501	3.0
176.04660	2.2
177.05452	19.1
179.06963	1.1
181.04948	55.2
181.08543	16.6
187.07527	2.5
190.20522	0.9
191.07028	59.0
192.07652	1.1
193.08560	4.8
195.06516	2.9
202.49370	0.9
203.06853	2.2
205.08650	2.5
207.06448	1.3
207.10074	2.1
209.08080	100.0
210.08484	1.1
217.08594	2.6
219.08246	1.4
219.10172	4.2
233.08040	4.0
235.07477	2.6
235.09642	4.0
236.08293	1.0
252.07887	1.7
254.84192	1.2
263.07013	0.8
263.09195	13.1
267.10196	2.1
287.05634	2.3
295.09583	2.1
299.09103	1.1
325.10751	2.5
327.12491	1.1
357.13284	4.2
385.12976	7.4
399.14420	2.9
417.15417	15.1
472.54352	1.1
540.39764	1.0
549.52167	1.1
789.10602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.8
67.05500	59.9
69.07059	28.1
70.23077	14.5
70.23484	23.5
79.05488	36.1
81.07047	70.5
91.05466	36.1
93.07043	45.7
95.04993	17.7
95.08610	38.2
103.03890	6.8
105.07026	27.1
107.08592	19.3
109.06506	16.2
109.10170	12.1
119.08601	15.5
121.10118	16.6
131.08542	19.4
133.10141	26.8
135.08046	8.6
135.11725	7.4
145.10124	7.9
149.09520	8.0
149.13261	12.4
198.95238	6.9
223.13358	6.8
253.14418	15.3
273.18539	31.3
291.19519	75.1
335.25760	100.0
365.23224	59.8
501.73453	7.4
625.44482	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.3
63.03393	5.9
64.21784	6.5
67.05491	41.0
69.03445	7.6
69.07060	23.1
70.00176	12.1
70.00587	21.5
77.80959	6.8
79.05498	24.9
80.81088	6.0
81.07052	41.0
83.08617	10.2
84.08922	5.7
91.05470	24.1
93.07039	30.5
95.08596	28.7
97.10164	12.1
105.07047	9.8
107.08583	22.5
109.10146	12.3
115.39813	8.7
119.08595	11.0
121.10121	14.0
125.09625	7.3
133.10173	9.1
135.11716	9.8
145.10127	11.9
147.11597	8.9
150.57111	7.5
150.58498	6.9
223.13506	12.5
261.22144	10.4
273.18469	13.4
291.19571	100.0
315.20447	7.1
335.25812	76.7
365.23224	45.7
603.84515	7.6
625.44373	64.6
815.60803	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.1
57.52546	2.6
67.05510	42.8
69.07072	30.8
69.25186	32.5
69.25588	5.5
79.05490	46.6
81.03410	8.1
81.06592	3.3
81.07057	58.5
83.04984	7.4
83.08614	8.6
89.33284	2.9
91.05482	88.0
93.07045	57.5
95.01318	7.8
95.04980	9.3
95.08604	36.7
97.06521	23.4
97.10176	3.7
105.07030	100.0
107.04926	15.1
107.08586	24.1
109.06528	4.5
109.10166	10.1
117.07009	22.4
119.08586	53.1
121.10151	15.3
121.44872	2.9
123.08088	6.4
123.11732	4.9
125.09646	3.5
128.06195	3.4
129.07010	9.0
131.08549	21.7
133.10143	56.5
135.08047	4.6
135.11676	13.7
143.08551	8.8
145.10126	27.9
147.11688	28.0
149.09608	5.4
149.13249	5.8
157.10103	8.0
159.11723	19.0
161.13284	9.1
163.11182	4.7
169.10077	3.7
171.11716	8.7
173.13322	10.6
175.14857	8.3
177.12666	3.7
179.14378	8.6
185.13306	5.1
241.19542	19.4
257.18991	5.1
259.20605	21.3
275.20065	62.7
293.21262	3.1
315.23151	13.1
333.24219	54.6
349.23752	50.0
607.43524	93.2
608.44373	3.4
625.44757	9.8
660.48077	5.3
739.82440	3.7
780.18542	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	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
57.07056	1.0
61.02919	6.0
65.03931	2.1
67.05502	33.3
69.03418	3.5
69.07062	11.1
71.04983	3.5
71.31792	1.9
73.02903	2.9
73.08939	0.9
79.05490	22.9
81.03413	6.1
81.07051	49.0
83.04979	4.3
83.08614	10.4
85.02901	9.0
85.06531	2.8
91.03943	3.8
91.05476	19.7
93.07037	34.2
93.07632	1.7
95.04975	5.8
95.08599	17.3
97.02921	5.1
97.06518	6.4
97.10149	1.5
105.01875	1.6
105.07029	11.5
107.04989	1.4
107.08589	20.5
109.02927	1.3
109.06518	1.8
109.10151	7.2
109.64117	0.9
111.08063	3.8
115.05413	1.3
117.06979	6.3
117.27843	0.9
118.65010	0.9
119.08591	6.9
121.06484	2.7
121.10141	11.2
123.08047	1.7
123.11701	4.3
125.09605	1.5
127.03907	4.1
129.07007	3.2
131.08531	8.1
133.10118	10.1
135.08055	1.8
135.11639	6.9
137.09567	0.9
142.08005	0.9
143.08528	2.7
145.05011	2.1
145.10118	2.8
147.11679	3.7
149.09602	1.4
149.13257	14.3
155.08566	1.7
155.70201	0.9
156.74603	0.9
157.10127	2.1
159.11684	6.8
163.14867	1.3
167.00952	1.1
167.08641	0.9
169.10208	1.4
171.11678	1.5
173.13260	1.1
177.12747	2.9
183.11626	0.9
195.13777	8.9
251.16501	1.3
269.17471	20.8
292.19122	1.0
317.17279	1.0
343.26270	1.1
353.24826	2.5
371.25784	1.9
389.27066	1.2
413.21753	1.0
421.94070	1.0
445.29529	14.5
453.24292	1.0
463.30515	100.0
464.30685	2.9
481.31537	1.9
607.34833	7.6
822.48132	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.3
57.07058	1.2
57.88868	0.4
61.02920	4.5
64.55170	0.4
65.03931	0.9
67.05499	27.1
69.03431	2.0
69.07063	9.9
69.43261	3.8
70.06578	0.6
71.04977	2.3
71.08633	0.8
73.02913	2.8
79.05010	0.5
79.05484	17.2
81.03408	3.6
81.07047	42.1
82.07364	0.7
83.04969	2.7
83.08141	0.7
83.08611	9.1
85.02897	7.7
85.06538	1.6
87.00810	0.5
91.03957	3.0
91.05472	12.6
93.07035	27.2
95.04974	4.2
95.07979	0.7
95.08595	14.2
97.02892	4.1
97.06511	4.8
97.10159	1.6
99.04430	1.3
99.08076	1.3
103.05439	0.6
105.01841	1.0
105.07020	7.6
107.08580	15.5
108.08855	0.5
109.02885	1.1
109.06508	1.4
109.10146	4.6
111.08044	2.4
111.11726	0.6
113.05972	0.6
115.03826	0.4
116.10745	0.7
117.07008	6.2
119.08592	5.3
121.06493	1.3
121.10121	10.4
123.08047	1.2
123.11689	4.3
125.09660	0.6
127.03910	3.0
129.06976	1.6
131.08551	7.0
133.06496	0.6
133.10120	7.4
135.08047	1.5
135.11674	7.0
137.13248	0.6
139.11195	0.7
141.06934	0.6
142.07726	0.5
143.08484	2.1
145.04955	1.1
145.10103	2.6
147.08057	0.6
147.11667	2.5
149.09636	0.6
149.13249	11.3
151.11156	0.7
155.08563	1.1
157.10135	1.5
159.11664	5.6
161.13177	0.9
163.05981	1.0
163.14838	1.2
167.08514	0.6
169.10106	1.1
171.11662	1.0
173.13257	0.9
175.14775	0.7
177.12718	2.0
181.10110	0.6
194.32501	0.5
195.13783	5.7
197.13298	0.8
201.48636	0.4
203.17953	0.6
209.13257	0.5
225.16321	0.4
231.04924	0.5
241.15871	0.5
247.86493	0.6
251.16429	1.4
267.15735	0.8
269.17453	19.6
272.20078	0.5
273.25754	1.0
282.40121	0.5
292.18961	0.7
293.19388	0.7
306.32278	0.4
317.72025	0.5
335.23907	0.7
353.24933	1.4
367.49802	0.5
371.25781	1.4
389.26639	1.2
413.21503	1.1
427.28656	0.8
440.74057	0.5
445.29456	12.6
463.30487	100.0
464.30777	2.8
476.28586	0.8
481.31696	0.9
539.33063	0.5
589.33063	0.6
607.34796	6.3
661.63562	0.5
822.48578	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	821.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	17.6
57.07047	1.3
61.02922	67.6
65.03900	1.4
67.05497	33.2
69.03086	1.9
69.03425	26.4
69.07072	7.6
69.65153	7.0
69.65563	2.4
71.01339	4.3
71.05002	7.2
71.05319	1.3
73.02510	1.4
73.02910	22.7
75.04434	1.9
79.05065	1.9
79.05486	21.6
81.03411	23.4
81.06592	1.8
81.07050	34.1
83.01306	2.1
83.04967	4.3
83.08611	4.6
85.02897	100.0
87.04454	4.2
91.03948	51.0
91.05466	15.8
93.07031	29.4
95.04968	6.7
95.08600	27.4
97.02883	75.7
97.06485	2.1
97.10189	2.1
98.21541	1.4
99.04450	14.3
101.02364	4.8
103.03937	11.1
105.07014	11.7
107.04972	2.1
107.08585	14.3
109.02849	9.9
109.06480	3.7
109.10132	9.5
111.04396	3.3
115.03901	7.1
117.05468	2.0
117.06995	4.7
119.08568	10.0
121.10118	14.2
123.08049	1.7
123.11691	5.9
127.03909	35.8
129.05450	4.4
129.06998	2.7
131.08569	11.3
133.10104	9.2
135.08058	1.8
135.11678	8.0
143.08533	2.7
145.04941	24.7
145.10115	8.4
147.08044	1.9
147.11642	6.1
149.09602	1.8
149.13235	5.2
157.10097	2.7
159.06555	2.0
159.11678	7.0
161.13235	3.7
163.06000	14.4
163.11130	2.1
163.14836	3.1
171.06540	2.1
171.11586	2.5
173.13252	6.2
175.11183	1.7
175.14825	2.0
183.06494	9.3
185.13135	3.1
187.11099	1.9
187.14816	2.2
199.14799	1.4
201.07532	6.6
201.16385	2.8
209.13167	1.2
211.14790	1.4
214.56685	1.3
241.19463	2.2
243.21143	5.4
255.20990	1.3
259.20493	2.7
261.22137	16.6
273.22217	2.5
297.21994	1.6
301.21594	2.0
315.23151	2.3
315.26794	1.3
335.25760	56.9
345.24057	1.5
351.23154	3.5
363.25046	4.4
369.23981	3.4
377.26691	3.0
386.58868	1.4
443.27972	3.3
461.28949	4.3
479.29993	8.6
479.35922	1.6
497.30795	3.4
659.42230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.4
61.02914	6.8
63.55094	2.6
65.03941	2.7
67.05504	25.1
69.03432	4.9
69.07053	10.6
70.06561	3.0
71.57609	3.4
72.08105	2.7
79.05494	18.1
81.03423	5.3
81.07056	27.6
83.04943	2.8
83.08600	6.2
85.02917	11.9
85.06505	2.6
86.06064	4.9
89.31256	2.6
91.03942	6.4
91.05481	24.7
93.07026	16.8
95.04977	6.6
95.08599	16.3
96.08116	5.6
97.02891	8.5
98.06059	4.4
102.76469	2.1
105.07019	18.2
107.08595	12.3
109.06501	4.8
109.10125	10.4
116.10772	2.9
117.07003	13.8
119.04936	10.8
119.08551	12.2
121.06475	6.2
121.10152	6.9
122.09662	3.5
123.79500	2.4
124.07532	3.2
127.03886	4.6
129.07002	14.9
131.08560	18.2
133.06470	2.6
133.10118	10.3
135.08049	2.9
135.11659	4.1
137.06015	2.7
141.07008	6.8
142.08636	7.2
143.08530	11.8
145.10066	14.2
147.04419	33.5
147.08080	3.3
147.11697	5.8
149.09583	5.2
149.13286	4.5
151.11151	2.5
153.29774	2.6
155.08488	14.0
157.10138	11.3
159.08101	3.3
159.11670	6.7
161.13150	2.7
166.15959	2.8
167.08565	4.2
169.10088	8.7
171.11739	6.5
173.13246	2.5
174.28474	2.8
177.82668	2.5
178.07660	2.2
179.08624	2.8
181.10094	7.7
183.11679	3.2
185.13211	4.6
187.14885	3.2
189.16321	5.4
190.55872	2.3
195.11714	6.5
197.13179	2.9
203.14354	2.6
207.11775	4.4
212.16463	41.1
221.13350	4.4
222.60330	2.3
225.12700	3.1
238.18021	8.2
239.14314	2.8
243.41841	2.7
271.17075	3.5
271.24091	12.6
283.66562	2.3
330.22763	2.9
341.24823	4.0
351.23102	15.4
369.24298	16.5
387.25308	7.6
389.06253	2.4
415.32678	3.1
425.26669	7.7
443.27954	100.0
444.28262	2.8
461.22440	5.6
461.28925	82.6
462.29437	3.3
473.06653	2.7
476.26538	7.4
569.31415	3.1
623.34027	3.5
652.29376	7.2
776.78766	2.7
778.22089	2.6
820.41864	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	817.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.0
57.79788	0.4
62.93290	0.4
65.03930	0.5
67.05502	3.4
69.07052	2.3
69.51369	2.7
69.51778	0.6
72.25394	0.4
79.05489	2.4
81.07058	7.3
83.08605	0.8
84.26221	0.4
85.02899	0.5
91.03973	0.4
91.05468	1.9
93.07040	3.7
95.08598	12.0
97.10159	0.7
105.07001	2.0
107.08584	6.0
109.10139	4.8
111.11694	0.4
119.01054	3.1
119.08565	4.0
121.10139	4.7
123.11680	2.1
128.55257	0.4
129.02808	0.4
131.08585	1.4
133.10141	2.3
135.11679	2.6
137.02100	3.3
137.13231	2.8
145.10126	1.7
147.11685	1.9
149.13240	2.9
157.01012	0.6
159.11687	0.8
161.13301	1.3
163.00015	2.9
163.14777	0.7
168.73067	0.4
173.13193	0.9
175.14825	1.0
177.16431	0.6
181.01129	2.4
185.04205	6.9
185.05765	0.5
187.14882	0.4
189.16348	2.9
198.45135	0.4
199.02078	2.0
201.16394	3.3
203.05247	2.1
203.17944	0.8
205.19562	0.6
213.16356	0.5
215.17960	4.4
217.03165	4.7
217.19258	0.4
218.48802	0.4
241.19710	0.5
243.21115	0.7
245.03914	0.9
245.06268	6.4
261.18497	0.6
269.06293	30.2
273.06140	0.5
281.06296	5.1
298.81787	0.4
299.07367	8.0
299.10574	0.7
310.08853	0.5
317.08456	1.0
325.05090	0.6
333.07922	0.6
343.06323	6.9
360.36765	0.4
361.07361	50.7
362.07739	0.8
379.08429	13.1
479.35162	0.6
517.44116	0.4
553.96582	0.5
683.41284	1.6
730.70154	0.4
817.43317	100.0
818.43634	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	815.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96295	0.6
56.96557	6.4
70.06606	0.6
71.04980	0.5
71.45973	0.7
74.97619	0.3
84.96004	0.4
85.02912	0.3
98.97568	4.7
109.98905	0.3
110.72236	0.3
116.98616	3.8
121.45010	0.3
128.98595	1.4
131.00157	0.3
134.99646	2.0
139.00662	1.1
145.01741	0.3
146.99673	1.0
149.01236	0.5
151.43100	0.3
153.81430	0.3
156.61304	0.3
157.01709	2.2
158.99644	1.2
159.03247	0.5
161.01170	0.6
169.01796	0.7
175.02855	0.7
177.00691	1.0
177.04373	0.4
181.01700	0.5
187.02818	1.2
191.03835	0.4
193.05319	3.1
197.04808	0.9
199.02722	0.5
201.00684	0.4
205.05330	2.9
207.03290	0.9
209.04826	0.8
211.02986	0.4
211.06400	9.1
215.06079	0.4
219.01686	2.7
221.04843	3.9
223.06409	28.7
224.06770	0.4
225.04323	2.5
229.07487	1.6
237.02725	8.0
239.05870	1.5
241.07460	16.5
243.05396	0.6
246.08035	1.2
247.06378	8.3
247.08730	0.5
248.06429	0.3
253.07469	0.9
255.03862	1.0
260.04355	0.4
264.09109	0.9
265.07458	12.7
271.08615	0.5
277.07394	0.8
279.09149	0.8
283.08517	14.2
287.05350	0.3
288.09094	0.9
289.07593	0.5
293.06982	0.8
301.09723	1.5
303.04953	1.4
306.10077	0.5
307.08499	2.7
325.09564	0.9
337.09610	0.6
349.09534	0.8
356.75500	0.4
367.10623	33.2
368.11032	0.7
385.11746	1.8
425.55295	0.3
427.12741	100.0
428.13058	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	815.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
61.02910	1.0
65.03937	11.5
66.04693	0.8
67.05493	1.7
68.99779	0.9
69.03418	5.1
70.06581	1.2
71.04974	2.2
71.12200	1.8
74.44491	0.8
74.49782	0.7
75.04450	1.0
77.03909	0.7
78.04695	2.1
79.05485	3.8
81.03397	4.3
81.07040	0.9
82.04188	1.7
84.04498	0.9
85.02900	8.4
87.00811	2.2
89.03922	1.4
91.05470	6.1
93.03410	1.3
95.01338	2.3
95.04967	3.0
97.02887	2.5
97.06512	1.3
99.04420	1.1
103.03944	1.2
103.05476	3.3
103.38773	0.9
105.01844	1.4
105.07014	5.0
106.04167	0.7
107.04936	4.6
108.02087	1.4
109.02884	4.5
109.06564	1.0
110.03656	11.2
110.04383	1.2
111.04433	19.0
115.05447	3.0
117.03348	0.9
117.07091	1.0
118.04127	2.1
119.04933	5.0
119.08577	2.1
121.02879	0.8
121.06519	1.3
122.03648	1.9
123.04422	3.6
123.08101	0.7
124.05193	2.6
125.05983	14.3
127.03904	3.9
128.06186	2.0
129.06975	4.3
130.04184	1.2
131.04903	4.3
131.08563	0.7
132.05695	1.0
133.02849	3.1
133.06464	4.3
134.03645	1.1
135.04492	0.9
136.05161	1.2
137.05957	9.0
138.03082	1.2
138.68254	0.8
141.06956	1.0
141.82864	0.7
143.04936	1.4
144.05701	1.8
145.02863	2.6
145.05080	0.8
145.06441	2.2
147.04405	7.0
147.08020	1.8
149.05971	3.6
151.03883	1.9
151.07573	2.4
153.05457	64.5
154.05751	0.9
156.05656	1.2
157.06410	1.1
159.02924	1.4
159.08061	5.5
160.05174	2.0
161.05997	6.2
162.06735	1.3
163.07539	2.6
165.06940	1.3
167.07025	29.9
169.06465	1.0
171.04419	1.1
171.08038	0.9
172.05203	2.1
173.06000	1.0
175.07501	9.5
177.05453	8.5
178.07793	1.6
179.07005	4.0
179.08450	1.1
184.05177	1.1
185.05949	2.6
186.06738	3.3
187.07542	8.8
189.05453	4.6
189.07042	2.7
189.09023	0.9
190.07738	2.4
191.07024	7.5
191.08583	3.8
194.07310	1.3
195.08044	0.9
197.09636	1.2
199.07510	6.4
201.05461	1.0
202.07828	2.8
203.07071	1.4
203.08572	4.7
205.06496	3.1
206.07204	2.7
207.06409	1.8
207.08113	1.7
208.08778	2.0
209.09747	0.9
214.06334	1.2
215.06956	3.2
215.08807	1.5
216.07753	6.5
217.06505	1.1
218.07257	5.3
219.08038	8.5
220.08763	4.5
221.06024	3.3
221.09612	2.9
222.06871	1.2
223.07605	1.4
223.11336	0.8
229.08585	8.4
231.08086	4.8
232.08911	1.9
233.06090	3.9
233.09700	2.6
234.06735	2.6
235.07547	6.3
236.08290	5.4
237.09085	3.2
245.05933	2.0
246.06799	3.7
247.07552	6.9
248.08311	5.0
249.05438	1.9
249.09164	5.5
249.19095	0.8
250.06310	1.7
250.09833	1.7
251.07043	1.8
251.10649	12.4
253.08630	1.4
259.07532	2.9
260.08383	1.8
261.05563	2.3
261.09186	4.4
261.11642	0.9
262.06186	2.1
262.09842	1.9
263.06934	4.1
263.10675	2.7
264.07806	10.1
264.10889	1.0
265.08569	12.0
266.09424	0.9
275.06873	4.3
276.07819	8.8
277.05777	0.9
277.08630	5.6
278.09390	5.2
279.06979	1.1
279.10156	8.8
280.07245	1.4
280.10889	0.9
281.08124	2.1
281.11667	3.8
287.05344	4.6
288.07913	1.2
289.08502	3.7
290.09357	1.7
291.06900	1.4
291.10156	6.3
292.07300	2.7
292.33972	1.0
293.08090	5.0
293.11606	2.3
294.08670	1.9
295.09674	1.5
296.10452	1.2
303.06650	0.9
304.07245	2.5
305.07962	2.2
305.11316	1.3
306.08792	2.1
307.09619	32.9
308.10397	9.0
309.07907	1.4
309.11136	5.0
311.12561	4.0
315.08685	2.5
315.12418	1.0
319.09644	9.9
320.10416	2.7
321.11258	3.3
323.12698	7.4
324.09882	1.9
324.13815	0.9
336.09988	1.7
336.13550	1.1
337.10626	1.7
337.14392	1.4
339.12238	100.0
340.12613	2.3
341.13815	5.6
346.48965	0.8
351.12216	34.3
352.12692	1.6
353.13757	2.3
369.13300	2.2
489.18768	1.0
499.17563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4902
Annotation	Glabrin C
Peak:m/z	Relative Intensity
71.56853	8.7
72.10047	4.6
116.12486	4.8
125.00922	4.0
135.02014	4.1
232.49258	4.4
414.37653	4.9
507.73306	5.0
639.64154	4.7
813.49274	100.0
814.49316	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	812.478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.9
57.07063	5.8
61.02924	20.7
66.21767	1.4
67.05508	12.9
69.03415	4.7
69.07063	17.3
71.01358	1.7
71.27151	3.7
72.72257	1.7
73.02921	10.2
74.95341	1.4
79.05477	9.0
81.07049	41.1
83.08598	12.8
84.04494	1.7
85.02896	43.5
85.37330	1.6
88.77158	1.5
91.03948	22.7
91.05460	9.4
93.07044	27.9
95.01321	14.4
95.04933	3.2
95.08599	65.2
97.02879	21.7
97.10155	7.3
103.03930	2.6
105.07028	16.5
107.08589	36.8
109.02853	2.0
109.10155	43.0
113.02386	2.0
115.03889	1.6
117.06995	2.6
119.08566	29.0
119.13972	1.5
121.10140	40.4
123.11705	23.5
127.03892	18.5
131.03421	3.7
131.08502	7.7
133.10124	23.4
135.11688	27.5
136.06186	10.0
137.13239	13.9
141.01819	52.7
143.08656	2.3
145.04956	27.1
145.10120	10.2
147.11676	21.0
149.13252	35.8
153.09084	3.0
157.19398	1.7
159.02876	13.1
159.11681	7.1
161.13246	11.6
163.05998	50.2
163.14780	7.8
173.13199	6.9
175.14821	12.1
177.03958	6.2
177.16388	6.6
179.10754	2.4
179.17943	2.2
187.14812	5.3
189.16373	38.6
191.16187	3.5
191.17929	72.9
201.16357	47.3
203.16020	2.8
203.17937	55.4
205.17667	3.0
205.19507	43.1
213.16321	2.8
215.17964	19.0
217.19475	13.0
219.01344	1.7
219.21120	2.4
227.18063	2.6
229.19536	2.0
231.21092	2.7
235.16956	6.1
241.19478	2.6
243.21098	5.3
245.22623	5.0
247.16890	25.1
249.18481	12.3
255.21115	2.1
257.22668	3.0
261.18500	12.6
269.22617	2.6
289.21585	3.4
315.11890	1.5
315.23087	1.7
321.08176	2.6
393.35159	18.1
439.35675	100.0
440.35971	3.7
468.25082	1.8
632.36078	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	812.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
57.07070	6.8
61.02925	11.4
63.39074	1.7
67.05500	19.4
69.03428	6.1
69.07059	14.2
69.24703	1.5
69.93091	4.2
69.93505	6.0
70.06593	4.2
71.08607	2.1
73.02911	4.1
79.05486	10.4
81.03415	3.1
81.07051	54.8
83.08611	10.2
85.02901	50.2
91.03969	11.6
91.05473	9.9
93.07026	19.7
95.01314	15.2
95.04946	3.2
95.08601	74.3
97.02892	18.3
97.10165	4.0
98.21473	2.0
99.00861	1.8
99.04439	2.5
103.03899	2.4
105.07024	20.4
107.08586	33.6
109.02898	3.1
109.06503	1.7
109.10154	48.5
119.08573	34.2
121.10136	28.8
123.11698	28.6
127.03899	22.5
127.68307	1.7
131.08611	4.6
133.10112	24.2
133.11076	1.9
135.11678	21.3
137.13242	24.9
141.01814	58.9
143.08546	1.9
145.04944	27.8
145.10132	9.1
147.11685	19.8
149.13248	24.8
153.09088	1.9
159.02843	14.0
159.11703	6.8
161.13245	12.3
163.06004	39.0
163.07397	2.3
163.14799	8.7
166.46370	1.6
171.11653	3.0
173.13280	7.2
175.14824	12.3
177.04005	4.6
177.16394	5.0
179.17944	10.4
180.65108	1.7
185.13390	2.1
187.14838	7.4
189.14655	1.2
189.16356	40.6
191.17938	60.7
199.14789	2.0
200.05434	1.6
201.16370	19.6
203.17941	51.7
205.19487	29.7
207.17415	2.4
213.16425	6.7
215.17952	30.1
217.19507	11.9
219.21039	1.8
221.15457	3.5
231.21109	3.2
235.16953	7.0
241.19485	2.1
243.21123	2.5
245.22646	4.0
247.16899	23.1
249.18463	8.5
255.21260	2.5
259.16946	4.7
261.18481	15.8
264.71817	1.8
269.22562	3.3
321.08188	3.6
393.35233	24.0
411.36353	2.4
438.34528	1.8
439.35675	100.0
440.36035	4.4
632.41211	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	812.478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
57.07069	2.3
61.02913	0.9
67.05505	12.3
69.03421	3.1
69.07063	12.5
71.08629	1.3
71.31175	1.2
71.31509	1.0
77.03922	0.9
79.05489	8.4
81.03396	2.2
81.06577	1.8
81.07049	26.4
83.08624	6.2
85.02437	0.9
85.02903	11.4
91.05454	7.2
93.07039	19.9
95.01308	1.6
95.04938	1.5
95.08600	55.1
96.08946	1.0
97.02879	2.8
97.10150	4.7
105.07017	15.4
107.08587	27.9
109.02859	2.0
109.10150	31.3
111.08011	1.2
111.11692	1.1
117.07011	1.7
119.08577	23.9
121.10134	32.0
122.42619	0.9
123.11688	14.1
127.03905	2.3
131.08583	5.4
133.10107	20.1
135.11679	22.4
136.06223	1.1
137.13240	6.9
141.01805	2.8
143.08519	1.1
145.04961	3.8
145.10103	8.9
147.04411	2.2
147.11676	14.9
149.13237	19.7
153.09088	1.7
158.11745	1.0
159.02869	1.4
159.11700	7.1
161.13243	10.8
163.05989	1.3
163.14799	11.5
167.10658	1.8
170.08171	0.8
173.13237	4.7
175.14813	9.1
177.16350	6.5
179.14331	0.9
180.08661	3.7
187.14821	4.9
189.16362	31.6
191.17935	100.0
192.18336	1.0
193.12248	1.3
199.14809	1.0
201.16360	23.3
203.17938	54.1
205.19521	27.5
207.13814	1.1
207.17435	1.2
213.16324	1.6
215.17938	10.3
217.19534	10.4
221.15417	1.6
221.18991	2.3
229.19429	2.3
231.17462	1.6
231.21045	3.8
235.16901	5.7
241.00151	0.8
241.19490	2.0
243.21068	6.6
245.22595	2.9
247.16931	16.6
249.18491	16.7
255.20981	1.6
257.22565	1.6
258.61130	0.9
259.16922	1.1
261.18436	6.0
261.22113	7.0
275.20081	1.3
287.20343	1.3
289.21649	1.2
315.23340	1.5
329.24719	1.3
353.26862	8.6
393.35150	11.4
411.36151	2.0
421.34668	1.4
439.35703	84.8
440.36145	2.1
806.03613	0.9
812.40851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	4.7
61.02920	6.1
67.05499	10.3
69.03425	3.6
69.07069	13.2
69.76482	10.1
73.02926	3.2
79.05487	8.1
81.07055	28.3
83.08622	9.7
85.02441	1.4
85.02904	35.5
91.03957	5.3
91.05496	6.9
93.07042	19.7
95.01340	9.9
95.08604	59.3
97.02887	11.0
97.10178	5.3
105.07022	12.9
107.08596	35.8
109.02886	1.9
109.10158	35.5
111.11732	3.0
119.08580	26.3
121.10141	29.6
121.52419	2.0
123.11720	18.4
127.03924	10.8
131.08582	6.1
133.10110	23.3
133.10968	2.5
135.11679	21.4
137.13269	13.3
141.01831	32.4
145.04974	20.9
145.10120	11.9
147.11682	15.5
149.13251	24.7
151.14857	2.4
154.24420	1.7
157.10072	2.1
159.02885	6.6
159.11665	6.4
161.13255	11.7
163.06018	18.8
163.14816	9.7
171.11653	2.0
173.13297	4.7
175.14796	8.2
177.03941	3.6
177.16357	8.6
179.10670	3.0
187.14789	5.9
189.16379	33.8
191.17937	60.2
191.19608	3.2
201.16397	38.7
201.71796	1.8
203.17952	50.7
205.19514	42.1
206.19965	1.9
213.16367	3.0
215.17928	15.0
217.19481	12.8
219.17693	2.0
229.19666	2.6
231.21054	3.0
235.16907	6.2
241.19449	3.3
243.21106	4.2
245.22661	3.8
247.16901	25.6
249.18590	8.8
255.21094	2.7
261.18448	11.0
269.22787	2.0
289.21497	2.3
301.21585	2.8
315.23132	3.4
321.08292	3.2
344.92932	1.6
393.35068	16.0
439.35706	100.0
440.36163	4.4
485.79355	1.8
707.53326	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	811.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.8
57.03431	3.7
57.07072	1.6
60.50031	1.3
61.02922	24.4
65.03934	2.0
67.05502	17.7
69.03416	5.0
69.07071	14.5
69.75056	9.0
70.06597	2.8
71.01350	2.0
73.02909	13.0
79.05489	9.4
81.03419	3.7
81.07047	42.0
83.04971	1.4
83.08611	5.3
83.14393	1.4
85.02896	45.3
91.03947	28.0
91.05463	11.6
93.07043	30.3
95.01324	23.8
95.04951	4.2
95.08599	66.4
97.02879	27.5
97.06512	1.3
97.10154	3.5
99.00791	2.0
101.02394	2.7
103.03962	3.9
105.07024	36.6
107.04890	1.3
107.08584	49.1
109.02839	2.0
109.06493	2.3
109.10146	45.8
111.08070	24.1
111.11695	2.6
113.02370	4.3
115.03907	1.8
117.06985	3.4
119.08570	48.5
121.10128	41.7
123.04438	1.3
123.11687	14.1
125.51162	1.3
127.03889	13.9
129.06984	1.5
131.03363	2.0
131.08557	8.5
133.10121	43.3
135.11678	23.0
137.05930	1.7
137.09641	1.4
137.13275	3.7
139.07614	1.5
139.11133	6.9
141.01811	69.1
143.08548	5.0
145.04959	15.2
145.10110	28.2
147.11667	39.8
149.13243	38.9
149.14372	2.5
151.11160	2.8
153.09128	4.8
157.10121	4.4
159.02888	10.4
159.08141	1.5
159.11676	23.8
161.06044	1.5
161.13232	28.7
163.06010	24.9
163.07372	1.9
163.14810	28.6
165.12825	1.4
165.16373	1.6
167.10649	1.9
171.11676	4.3
173.13255	16.4
175.14793	26.3
177.04022	2.5
177.16376	31.2
179.10806	1.5
179.17903	1.7
183.11661	1.5
185.13254	1.5
187.14803	21.9
189.16365	68.4
191.17920	14.0
195.17477	2.1
199.14807	4.1
201.16365	50.1
203.16011	3.2
203.17934	67.7
204.18417	1.8
205.15897	7.4
205.19551	4.2
207.17397	17.4
213.16405	7.7
215.17946	29.9
217.15895	1.7
217.19501	7.1
219.17383	9.6
221.15385	2.9
221.18982	11.5
227.17979	4.4
229.19528	7.7
231.17448	1.7
231.21030	1.7
235.16885	11.5
239.09724	1.7
241.19461	7.0
243.21088	7.4
245.18958	1.6
247.16873	11.1
249.18384	9.2
255.21129	5.0
261.18484	7.2
261.22104	1.8
267.21106	3.9
268.04254	1.5
269.22681	2.2
275.20056	2.8
281.22638	2.9
283.08508	2.1
283.24252	4.6
289.21509	2.7
301.09659	1.5
329.24771	5.8
343.26205	3.0
351.30249	3.6
365.19424	3.2
379.20901	3.0
391.33521	18.1
397.30902	7.9
409.34619	63.1
410.35031	2.1
411.36133	5.9
425.34204	12.5
427.35614	4.9
437.34137	100.0
438.34610	3.1
454.64090	1.7
455.35205	50.8
456.35129	2.9
501.16220	4.4
567.36896	6.3
595.36340	2.8
613.36688	3.2
811.37903	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	811.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.9
57.07051	1.5
59.25398	0.7
61.02925	34.2
65.03939	1.1
67.05503	13.7
69.03438	4.5
69.07063	12.2
69.51781	1.1
69.52187	5.9
69.82123	0.8
71.01362	1.6
71.04965	1.0
71.08625	1.2
73.02916	14.6
79.05495	9.6
81.03420	2.2
81.07056	32.6
83.01334	1.4
83.08618	5.4
85.02900	54.7
91.03951	40.7
91.04530	2.0
91.05487	8.4
93.07038	25.0
95.01328	25.5
95.04971	1.2
95.08603	55.7
97.02888	28.3
97.10159	2.9
99.00820	2.3
99.04442	1.8
101.02388	2.8
103.03969	5.4
105.06305	1.5
105.07023	29.6
107.08590	40.8
108.08880	0.9
109.02861	1.7
109.06502	1.7
109.10153	38.9
111.07360	1.8
111.08080	22.2
111.11745	1.2
113.01666	0.8
113.02382	5.1
115.03926	2.3
117.05534	0.9
117.07014	2.1
118.59520	0.9
119.08575	41.5
121.10136	31.4
123.00752	1.9
123.08060	1.0
123.11700	10.3
125.09630	1.0
127.03910	18.3
128.66322	0.8
131.03407	2.7
131.08556	10.3
133.10126	34.7
135.11684	17.3
137.13255	2.5
139.07588	1.1
139.11166	4.6
141.01819	100.0
142.02144	1.0
143.08545	2.9
145.04955	20.9
145.10107	20.3
147.11676	31.9
148.26831	1.0
149.09605	1.0
149.13251	47.0
150.94450	0.9
151.11134	1.4
153.09100	3.5
157.10118	3.4
159.02885	22.8
159.11690	17.0
161.13245	27.4
163.06007	48.3
163.14819	24.1
163.16101	1.8
165.16354	1.4
167.10704	1.5
169.10056	1.1
171.11755	2.2
173.13251	14.0
175.14827	20.4
177.03922	7.8
177.14815	1.2
177.16377	23.7
179.10718	1.1
183.11742	1.2
185.13315	3.1
187.14813	20.0
189.16380	57.5
190.16730	1.4
191.17931	10.4
195.17490	1.2
199.14828	3.8
201.16370	36.9
201.18262	1.9
202.16898	1.1
203.17949	59.2
205.15839	8.4
205.19487	6.0
207.17433	12.1
213.16388	8.0
215.17957	21.0
217.15923	1.7
217.19505	5.2
219.17435	5.4
221.15398	1.4
221.19014	4.3
223.16904	1.2
225.16344	1.5
227.17944	3.9
229.19516	5.0
231.17386	2.4
231.21098	1.2
233.19064	2.1
235.16928	6.6
239.17918	1.9
241.19476	4.6
243.21109	5.0
245.22621	1.0
247.16949	8.3
249.18518	7.2
253.19554	2.0
253.45697	0.9
255.21147	2.8
257.22495	1.1
261.18542	3.7
267.21106	1.0
269.22607	1.7
275.20020	1.3
279.20984	1.1
281.22620	1.6
283.24078	4.4
285.18466	1.7
287.19974	1.7
287.23264	0.9
289.21603	1.1
295.24112	1.1
321.08118	1.1
327.23053	1.1
329.24789	3.1
343.26367	2.0
349.28696	1.1
351.30432	3.9
355.26254	1.7
367.26334	0.9
379.21063	1.4
391.33508	15.0
397.30997	10.1
409.34619	49.5
410.34875	1.5
411.36203	2.9
419.33310	1.5
425.34128	5.5
427.35648	4.3
437.34131	73.2
438.34543	3.3
455.35168	39.0
456.35345	1.2
462.94427	1.0
567.36804	5.7
585.37738	1.5
595.36377	1.9
613.37341	1.0
757.73993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09948	5.5
57.03418	22.0
58.37003	4.5
67.05504	75.2
69.07073	15.2
69.58395	5.1
70.01951	25.2
79.05486	45.3
81.03411	7.6
81.07052	59.8
83.08605	9.2
85.06551	9.2
86.60461	5.6
91.05487	38.4
92.34093	6.4
93.07037	41.6
95.04958	61.3
95.08620	36.9
97.06589	7.7
105.07017	29.8
107.04932	9.0
107.08590	28.3
109.06518	53.7
109.10136	9.3
113.05978	24.2
114.96982	5.3
117.07019	14.2
119.08573	19.1
121.10101	18.6
124.91882	5.2
129.06990	7.4
131.08540	19.1
133.10139	11.0
135.08041	47.9
135.11690	12.5
143.08556	9.1
145.10114	15.4
147.08122	5.1
148.71106	5.0
149.09563	5.6
157.10062	7.9
159.11655	9.8
161.09599	7.6
165.17126	5.6
217.15846	11.0
261.22189	6.1
273.18515	37.6
291.19516	100.0
335.25848	81.3
344.52325	5.2
347.22369	6.6
365.23309	18.9
607.43024	9.1
625.44446	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12959	0.8
67.05524	2.1
69.07052	1.7
71.57320	1.2
74.61192	0.8
75.15895	0.8
79.05509	1.5
81.03433	1.2
81.07051	2.9
91.05518	1.9
93.07037	1.6
95.04971	1.5
107.08577	1.6
131.08563	0.8
131.66360	0.8
133.10156	1.3
137.05969	1.1
151.62086	0.9
155.31906	0.9
182.22926	0.8
185.04271	1.4
188.63512	0.9
203.05380	1.4
257.71411	0.8
274.08466	0.8
347.09692	3.6
355.94470	0.9
365.10556	2.3
405.13748	3.8
429.26169	3.6
485.28775	2.9
647.34015	15.3
809.39282	100.0
810.40430	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	804.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	3.3
57.94549	1.0
61.02924	5.2
63.93574	0.9
67.05173	1.6
67.05502	20.8
67.45914	1.0
69.03420	4.7
69.06785	0.8
69.07066	8.4
71.04989	2.2
71.58251	1.3
71.58648	1.3
73.02896	2.4
79.05065	2.1
79.05490	18.9
81.03409	3.8
81.07050	18.4
83.04967	2.4
83.08602	5.1
84.95821	0.9
85.02909	6.8
91.03952	2.7
91.05478	23.4
92.05825	1.0
93.07039	17.8
94.07342	1.3
95.04990	5.4
95.05476	1.1
95.08596	15.6
97.02884	3.2
97.06528	2.8
97.10138	2.1
101.02362	1.0
103.05480	0.9
105.07031	21.8
107.04932	4.4
107.08577	10.1
107.32930	1.0
108.08917	1.5
109.06514	2.8
109.10149	8.8
110.03068	1.0
111.08057	1.5
115.05481	1.0
117.07020	11.1
119.08586	15.4
121.06480	3.2
121.10119	7.6
123.08044	2.4
125.09624	1.6
127.03889	2.3
128.06223	1.4
129.07028	5.9
131.08556	17.8
133.10112	9.6
135.08028	2.4
135.11673	4.0
137.05936	1.3
137.09622	2.2
141.07014	4.0
143.08539	8.0
145.06497	1.2
145.10091	11.2
147.07997	2.6
147.11632	4.5
148.11827	1.1
149.09590	3.1
149.13194	1.9
150.13573	1.1
151.07599	1.1
151.11179	1.1
155.08542	3.6
157.10124	5.2
159.11668	6.3
161.09518	1.5
163.11235	1.1
169.10133	4.2
171.11676	3.3
173.13266	2.5
175.14764	1.1
177.12787	1.6
181.10104	1.9
183.11652	2.9
185.13280	2.4
187.14789	1.7
195.11633	1.9
197.13228	2.2
199.14789	2.3
201.16364	1.7
209.13240	2.0
211.14845	1.6
213.12720	1.2
247.16977	2.0
259.21664	1.2
261.18420	1.4
267.15887	1.8
273.18536	1.7
275.20105	3.4
275.34479	0.9
276.20398	1.9
292.19470	1.1
335.23688	1.8
343.26273	1.6
349.23663	2.8
350.23807	1.4
353.24557	3.8
371.25839	5.5
379.07394	1.1
389.26938	5.5
445.29462	100.0
446.29822	3.4
463.30505	19.2
624.43036	2.7
641.44135	1.2
673.70258	1.4
804.48102	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	804.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.9
61.02919	4.1
62.34569	0.9
65.03937	1.3
67.05502	18.7
67.82140	0.9
69.03431	2.3
69.07069	6.6
70.31232	2.6
70.31634	1.4
70.73472	1.0
71.05006	1.6
73.02907	1.8
79.05494	13.6
80.62701	1.0
81.03419	2.2
81.07056	19.2
83.04987	1.5
83.08625	4.0
85.02898	3.9
91.03967	2.7
91.05486	18.3
93.07042	15.9
95.04966	2.7
95.08602	11.2
97.02899	3.1
97.06511	2.2
97.10178	1.6
105.07027	19.2
107.04950	2.3
107.08577	8.5
109.02857	1.1
109.06525	3.5
109.10133	4.7
117.07034	9.0
119.08579	14.4
121.06503	2.2
121.10134	6.3
122.52210	0.9
123.08023	2.1
123.11762	1.1
127.03924	2.3
128.06212	1.5
129.06993	5.9
131.08563	16.5
133.06558	1.8
133.10136	8.7
135.08070	1.6
135.11688	3.4
137.09625	1.4
141.07024	2.3
143.08560	7.2
145.10118	8.7
147.08049	1.7
147.11713	3.4
149.09616	2.2
155.08556	4.6
157.10138	4.8
159.11685	6.4
161.13237	1.8
169.10132	3.2
171.11705	3.6
173.13200	1.8
181.10121	2.0
183.11674	3.7
185.13304	2.3
187.11179	1.0
195.11716	1.9
197.13295	2.8
209.13229	2.2
211.14746	1.0
213.12766	1.1
247.16954	1.8
273.18475	1.7
292.19128	1.8
325.25192	1.6
343.26059	1.6
353.24600	5.8
357.08496	1.3
371.25809	7.1
386.61438	1.1
389.26810	7.1
445.29495	100.0
446.29810	5.9
455.61905	0.9
463.30524	38.8
464.31018	3.2
494.06561	1.3
507.63629	0.9
565.03424	1.1
715.21271	1.0
804.49048	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	804.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	5.8
61.02915	6.6
67.05502	24.9
69.03417	2.3
69.07065	7.7
71.04974	2.8
71.32832	3.3
73.02917	1.9
79.05488	16.4
81.03409	2.9
81.07054	24.4
83.05020	2.7
83.08600	3.7
85.02888	7.1
91.03951	4.2
91.05477	23.5
92.87092	1.3
93.07036	18.4
95.04964	4.4
95.08602	14.8
96.05325	1.5
97.02892	5.1
97.06532	3.7
97.10189	2.0
99.08115	1.5
105.07034	20.8
107.04935	4.3
107.08610	11.3
109.06500	4.3
109.10142	7.1
115.05361	1.5
117.07013	12.5
119.08566	13.8
121.06505	4.2
121.10160	6.9
123.08047	1.9
125.09612	2.8
127.03885	2.7
128.06189	2.2
129.07011	8.8
131.08562	21.8
133.06497	2.6
133.10162	8.3
135.08073	4.2
135.11699	3.2
141.06964	4.2
143.08556	8.6
145.06459	2.2
145.10101	11.8
147.08083	3.4
147.11685	3.6
149.09587	2.0
149.13239	2.2
151.11165	1.4
155.08571	5.5
157.10158	7.7
159.08006	1.5
159.11699	6.2
161.09592	2.5
167.08546	2.0
169.10146	4.9
171.11676	4.0
173.09555	1.6
173.13240	1.7
181.10159	4.1
183.11748	3.5
184.07295	1.8
185.13306	2.1
187.14825	2.3
195.11720	2.7
197.13269	4.9
199.14828	1.9
209.13176	2.1
211.14861	2.0
223.14949	1.8
233.15230	1.5
259.16821	1.6
269.17319	1.5
275.20093	2.6
275.63107	1.6
285.18481	1.6
335.23779	2.3
343.26257	2.9
353.24765	8.8
371.26010	8.8
389.26749	4.0
407.70288	2.2
427.28476	2.9
445.29498	100.0
446.29752	2.8
463.30490	44.2
522.61316	1.7
672.34094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	4.2
57.03437	13.0
57.07050	4.4
61.02923	8.5
65.03943	5.7
67.05173	7.8
67.05503	100.0
69.03416	21.6
69.07060	40.5
71.04974	8.0
71.58253	4.9
73.02914	7.9
73.85572	3.9
79.05490	78.5
79.05916	7.9
81.03419	33.9
81.07053	88.9
83.04978	20.7
83.08630	11.4
85.02898	13.7
85.06526	4.5
85.88728	4.0
91.05475	77.7
92.05790	4.5
93.07042	67.1
95.04971	29.1
95.08606	50.2
97.02896	14.3
97.06504	25.1
97.10178	9.1
99.04456	5.1
99.08078	8.8
103.05392	4.8
105.07031	74.4
107.04951	31.6
107.08588	47.6
109.02886	9.3
109.06497	10.3
109.10166	28.2
111.04443	7.4
111.08089	10.7
112.15447	4.1
115.05424	5.6
117.07010	29.1
119.08574	50.7
121.06479	6.1
121.10150	19.0
123.08056	9.4
123.11719	10.1
125.09621	15.9
127.03875	8.3
129.07007	15.9
131.08565	47.3
133.06537	6.5
133.10118	49.2
135.00410	4.0
135.08046	15.2
135.11726	12.5
137.09598	11.0
141.06979	6.7
143.08553	16.2
145.06567	5.8
145.10106	34.8
147.08034	5.2
147.11681	22.6
149.09587	21.5
149.13277	12.3
151.11212	6.9
155.08514	7.6
157.10150	12.9
159.08109	6.3
159.11702	21.4
161.13245	12.4
163.11220	6.8
165.12822	6.4
169.10136	12.1
171.11696	13.7
173.04478	9.0
173.13220	8.2
175.11096	7.5
183.11739	6.1
187.11136	6.2
187.14888	7.8
189.11229	7.2
197.13213	5.4
209.13313	5.5
221.13303	4.6
227.12775	15.0
229.14325	5.6
247.20593	5.1
257.19040	13.9
275.20068	84.2
291.19470	5.3
293.21011	9.0
349.23810	41.2
543.36786	23.6
623.42786	32.5
641.44495	23.7
785.47974	7.5
803.46936	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	803.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	15.2
57.07056	4.4
61.02930	10.0
65.03944	8.8
66.78996	2.9
67.05504	100.0
69.03426	19.6
69.07063	42.7
71.04986	7.7
71.46692	3.4
71.58220	3.1
73.02924	5.8
79.05491	81.3
80.87018	2.7
81.03422	34.6
81.07056	86.4
83.04987	17.4
83.08611	20.0
85.02895	15.7
91.03976	4.8
91.05474	76.1
93.07042	65.6
95.04960	22.4
95.08598	52.4
97.02885	16.8
97.06525	29.7
97.10170	20.8
99.04453	7.1
99.08068	3.5
103.05385	3.0
104.44258	2.8
105.07027	72.5
107.04936	17.3
107.08582	55.6
109.02857	8.0
109.06525	10.3
109.10149	31.6
110.92188	3.0
111.04400	5.2
111.08072	6.9
115.05456	6.3
117.07026	35.2
119.08577	51.5
121.06508	9.4
121.10133	26.6
123.08060	6.0
123.11708	12.1
125.09613	15.2
127.03928	10.6
128.06203	5.9
129.07002	18.9
131.05032	3.4
131.08583	31.8
133.06500	7.4
133.10115	35.6
135.08043	13.0
135.11693	14.1
137.09619	8.2
141.06972	7.5
142.07788	3.7
143.08551	16.5
145.06519	4.2
145.10120	38.2
147.08009	4.2
147.11665	24.6
149.09625	21.0
149.13254	4.7
151.11156	6.2
155.08563	7.8
157.10155	13.5
159.08134	6.7
159.11687	26.9
161.09589	4.0
161.13258	6.0
163.11160	12.7
169.10159	12.4
171.11722	8.3
173.04518	10.8
173.09601	3.3
173.13261	13.4
175.11116	5.9
175.14760	4.3
176.07088	6.2
177.07730	3.7
179.14369	4.8
181.10147	6.6
183.11661	11.6
185.13213	8.2
187.11166	3.5
187.14871	5.0
189.11255	12.3
189.12807	4.6
195.11746	6.7
197.13269	9.3
199.14801	6.7
209.13252	5.9
211.14832	6.9
213.16333	4.0
214.47452	3.2
215.14375	3.4
216.42476	3.2
219.11697	3.3
221.13272	3.1
225.16524	6.1
227.12804	20.2
229.14290	8.2
239.17966	6.5
244.16910	6.3
257.19034	14.1
269.17419	3.9
273.18604	5.4
275.20071	78.4
288.15939	30.6
289.16223	18.0
289.21649	4.0
291.19513	6.6
293.21228	6.6
319.21225	3.5
349.23691	50.2
505.64572	3.2
529.35059	6.3
543.36523	11.7
605.41693	3.8
623.42981	36.4
641.43005	51.9
687.41406	3.6
724.87244	3.5
785.46820	5.6
803.47607	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	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	19.3
57.07067	5.7
61.02927	9.8
64.79140	5.1
65.03931	7.7
67.05169	9.4
67.05503	100.0
69.03434	9.7
69.07066	24.1
71.04968	8.7
71.57503	9.6
79.05490	85.8
81.03418	23.1
81.07049	80.5
83.04982	5.0
83.08614	15.7
85.02910	12.5
85.06558	15.6
91.05479	81.5
93.07037	80.6
95.04967	67.7
95.08604	54.7
97.02917	9.4
97.06535	16.4
97.10185	10.5
103.05422	6.0
105.07023	61.4
107.04974	23.8
107.08576	42.7
109.02822	5.5
109.06501	58.5
109.10129	24.4
113.06010	36.0
117.07028	40.8
118.27216	4.9
119.08574	39.6
120.65434	5.5
121.06525	19.4
121.10168	14.4
123.08124	12.8
123.11690	5.0
125.09623	6.8
127.03912	7.5
129.07002	23.6
131.08569	42.3
133.10089	30.0
133.99525	6.0
135.08064	39.5
135.11688	21.5
141.07024	11.6
143.08534	28.6
145.06464	8.9
145.10123	38.7
147.08038	8.8
147.11685	21.9
149.09563	7.9
149.13286	9.8
151.11131	6.3
155.08554	7.8
157.10168	14.4
159.08101	9.6
159.11737	21.2
161.09685	8.9
161.13326	11.3
163.11256	9.0
167.08627	6.0
169.10130	10.3
171.11707	21.5
173.13240	11.7
175.14848	6.8
183.11707	9.5
185.13301	7.1
187.11110	9.2
195.11729	5.8
197.13368	9.0
199.14848	6.7
209.13329	5.6
217.15776	7.6
233.55881	5.9
237.16350	5.6
241.14430	7.3
241.19614	6.0
257.19022	10.3
259.20599	15.4
273.18549	26.1
275.20056	18.3
279.15894	23.8
291.19476	59.8
327.26877	10.2
333.24222	30.5
335.25891	6.8
340.25092	5.9
347.22015	9.6
349.23734	11.6
365.23190	14.0
525.35199	6.4
531.39026	7.3
543.36530	9.8
605.41833	18.1
623.42975	85.1
641.44025	41.3
803.47009	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	19.1
61.02907	11.8
64.50510	6.5
65.03958	8.6
66.35424	7.5
67.05505	96.4
69.03442	27.1
69.07061	46.4
71.04987	13.5
71.57980	12.2
73.54195	7.1
75.71249	6.9
77.03902	7.4
79.05497	100.0
81.03422	37.5
81.07056	90.5
83.04990	22.2
83.08608	34.5
85.02902	19.8
91.05479	90.1
93.07048	73.2
95.04967	30.8
95.08601	66.1
97.02864	18.8
97.06521	21.6
97.10159	36.4
99.04451	12.3
103.79491	7.4
105.07048	54.7
107.04976	19.3
107.08588	44.8
109.06509	17.5
109.10157	27.8
111.08083	14.2
117.07038	36.0
119.08578	62.0
121.10142	30.3
123.08050	8.6
125.09624	22.5
127.03940	9.1
129.07007	17.1
131.08565	44.1
133.10152	43.1
135.08057	13.8
135.11749	12.2
142.07834	8.5
143.08546	25.6
145.06538	7.0
145.10136	39.1
147.07965	11.1
147.11687	28.4
149.09615	11.3
149.13277	15.1
155.08598	9.2
157.10078	20.9
159.08069	12.9
159.11696	23.6
161.13283	15.8
161.23230	8.0
168.09341	9.4
169.10175	14.4
171.11703	23.7
173.13269	14.4
181.10204	14.0
183.11713	17.1
185.13260	18.0
189.11256	14.7
190.41579	8.6
193.12396	7.2
197.13205	8.4
199.14862	12.8
207.11726	8.7
211.13324	10.4
221.15295	8.1
225.16307	9.5
227.12801	28.9
233.15369	14.3
257.19162	9.0
259.20541	18.7
267.16055	8.9
273.18582	15.5
275.20129	14.9
289.18033	21.9
291.19525	46.7
317.17938	22.7
333.24072	10.7
335.19040	8.1
335.25864	19.2
391.21481	11.0
525.35626	13.0
529.34875	11.1
543.36890	21.1
605.41492	13.6
623.42981	69.8
641.44049	22.3
785.47595	17.5
831.01691	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	803.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
57.84594	0.9
61.02650	1.5
61.02927	18.3
65.03943	1.0
67.05132	1.6
67.05499	26.9
69.03423	8.6
69.07064	11.8
69.36645	6.0
69.37062	4.0
71.04977	4.1
73.02911	6.1
73.04926	0.9
75.91264	0.9
79.05061	1.7
79.05490	24.8
81.03408	5.5
81.07056	27.5
83.04968	4.5
83.08616	8.0
85.02898	20.4
85.06537	2.7
91.03949	10.2
91.05475	33.3
93.06474	1.7
93.07043	25.4
95.04961	7.2
95.08041	1.7
95.08601	15.5
97.02890	13.5
97.06531	5.0
97.10162	2.5
98.21517	2.3
99.04428	2.1
103.03978	1.2
103.05449	1.6
105.07023	26.5
107.04939	4.7
107.08595	12.5
109.02860	2.3
109.06510	4.7
109.10131	6.7
111.04496	1.1
111.08084	3.4
115.03885	1.3
115.05438	3.9
117.07015	22.0
119.04890	2.0
119.08576	14.0
121.06481	5.0
121.10105	6.2
123.04403	1.2
123.08054	4.1
124.99999	1.0
125.09635	2.1
127.03912	3.3
128.06209	4.4
129.06992	23.2
130.07776	1.3
131.04848	1.9
131.08562	36.5
133.06389	3.4
133.10129	12.3
135.08035	3.7
135.11708	4.9
137.05954	2.1
137.09564	2.2
141.06969	12.0
142.07771	2.0
143.08545	17.4
145.04924	3.6
145.06488	6.5
145.10127	13.9
147.08044	5.5
147.11697	7.4
149.09593	4.6
149.13246	2.4
151.03830	1.3
151.11142	1.7
153.06967	3.7
154.07724	1.3
155.08536	15.3
156.09296	1.6
157.06552	1.7
157.10110	13.3
159.08029	5.1
159.11685	17.6
161.09590	3.7
161.13191	1.5
163.05957	1.4
163.11159	3.9
165.06990	1.6
165.12822	2.0
167.08530	9.2
168.09366	1.8
169.06581	1.4
169.10109	11.0
171.07982	2.2
171.11633	8.6
173.09602	3.9
173.13240	4.2
175.11134	6.0
175.14761	1.3
177.05473	1.5
177.12746	6.7
179.08553	2.9
181.10114	8.0
183.08017	1.9
183.11699	3.4
184.07370	1.6
185.09694	2.3
185.13269	4.7
187.11118	3.5
187.14861	2.3
189.12776	1.6
193.10168	2.6
194.10909	1.2
195.11679	9.2
195.13318	1.4
197.09644	1.5
197.13234	6.4
199.11139	2.3
199.14801	3.0
201.12669	1.5
205.10147	2.1
205.12100	2.2
207.11720	3.2
207.13574	1.0
208.12335	1.3
209.13223	6.8
211.11279	1.4
211.14862	5.3
213.12729	2.5
213.16327	2.5
215.14429	1.9
217.12265	1.3
221.13426	4.8
223.13016	1.1
223.14900	6.2
225.12717	2.9
225.16281	1.4
227.14221	1.8
231.13878	1.2
233.13252	2.6
233.15402	2.6
235.14807	4.0
237.16507	1.4
239.14305	5.9
241.15837	2.5
243.13812	2.7
249.16376	2.5
253.15912	3.4
255.17374	1.2
257.15381	5.0
259.16962	2.5
271.16983	5.1
285.18506	2.0
309.18820	1.2
315.21100	1.4
323.23651	6.8
333.22223	8.5
341.24741	6.6
351.23181	39.8
369.24222	42.6
387.25305	44.8
405.26422	1.9
425.26831	1.6
443.27948	34.3
461.28964	100.0
462.29282	3.5
473.28772	2.3
479.29932	17.0
513.28088	1.7
521.31323	1.2
605.32947	2.1
623.34235	2.1
641.35187	3.2
676.88519	1.4
803.36511	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	803.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86558	0.3
57.03440	1.9
61.02931	1.5
66.28461	0.2
68.99767	0.4
69.03414	0.4
71.04990	8.1
71.57156	0.4
73.02879	0.6
75.04464	0.5
81.03420	0.4
83.04984	0.6
85.02900	10.7
91.03950	0.9
97.02897	1.5
97.26341	0.2
109.02872	0.4
111.00784	1.1
111.04415	0.5
126.52335	0.2
127.03936	0.3
129.05470	2.6
137.02345	0.8
139.03882	1.1
145.04961	0.3
147.06554	0.5
151.03877	0.3
153.01819	4.7
163.82919	0.2
165.01801	1.9
166.02557	0.4
167.03391	1.7
167.07054	0.3
179.03391	0.8
183.02861	0.4
189.05429	0.3
193.04906	0.5
217.04984	1.9
219.02878	1.3
231.06506	0.4
233.04553	0.7
234.05243	0.7
241.04993	0.5
243.03242	0.3
244.03712	1.1
245.04414	3.4
255.02888	0.7
259.05957	0.9
261.03830	0.5
272.03165	0.3
273.03888	3.3
277.07086	1.1
287.05505	1.6
289.03424	1.8
290.04218	1.4
300.02591	0.5
301.03412	4.8
303.04919	0.4
304.05685	0.3
315.04898	0.4
318.03693	9.4
333.06021	100.0
334.06284	1.3
345.06058	0.7
349.05307	0.3
357.06033	0.4
375.07123	1.0
399.07214	0.6
495.11301	18.9
750.74207	0.3
785.36761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95150	1.0
57.03189	1.1
57.03433	6.6
61.02924	26.7
62.37661	1.1
65.03927	2.4
67.05501	30.6
69.03421	9.1
69.07066	11.8
69.77621	3.9
69.78046	3.6
71.04976	4.0
73.02905	8.1
79.05487	32.3
80.22711	1.1
81.03433	5.9
81.07047	31.0
83.04991	3.8
83.08611	8.0
84.62260	1.1
85.02892	30.8
85.03368	2.1
85.06522	2.1
91.03950	15.9
91.04903	1.9
91.05478	36.7
93.07040	27.3
95.04964	9.5
95.08599	18.1
97.02887	22.2
97.06540	7.9
97.10183	2.4
99.04472	3.0
101.02402	1.8
102.32703	1.2
103.05453	3.1
105.03384	1.8
105.07026	25.5
107.04950	6.3
107.08582	14.6
109.02912	2.6
109.06512	9.1
109.10149	6.5
111.08094	5.2
115.05472	4.3
117.07006	24.6
119.04935	2.2
119.08568	18.2
121.06477	6.9
121.10131	10.1
123.08082	5.1
125.06023	2.0
125.09666	2.2
127.03911	7.0
128.06166	6.8
129.06996	28.1
131.08560	32.7
133.06487	7.7
133.10120	15.6
135.08040	5.4
135.11681	5.1
137.05962	3.5
137.09621	2.6
141.06984	12.2
142.07799	3.8
143.08557	21.3
145.04947	3.5
145.06468	9.5
145.10117	16.5
147.08083	8.1
147.11662	8.6
149.09601	7.0
149.13255	2.5
151.11185	3.1
153.06979	2.3
155.08536	17.9
157.06514	4.3
157.10120	15.2
159.08058	7.5
159.11685	25.9
161.05943	1.6
161.09613	5.2
161.13278	2.6
163.06056	2.4
163.11211	4.0
165.07018	2.6
165.12711	1.4
167.07225	1.7
167.08516	6.7
169.10127	11.8
171.08049	3.8
171.11694	9.7
173.09621	5.0
173.13293	3.5
175.09845	1.6
175.11151	8.1
177.12727	10.9
178.07697	1.3
179.08553	4.7
181.10091	10.7
182.10909	1.4
183.08023	1.6
183.10312	1.4
183.11664	7.5
184.07486	1.5
185.09668	3.5
185.13242	4.9
187.11206	3.3
189.12730	3.4
191.08603	1.2
191.10632	1.0
191.14268	1.4
193.10158	4.4
193.11992	1.2
195.11678	9.7
197.13226	5.1
199.11072	2.8
199.14827	3.2
201.12781	4.2
203.10625	1.6
203.14375	1.9
205.10294	1.5
205.12170	1.4
207.11755	4.2
207.13672	1.3
209.13251	5.5
211.11174	3.0
211.13095	1.3
211.14857	4.3
213.12781	4.1
213.16318	2.2
215.14323	4.2
217.12138	2.2
219.11852	2.0
219.13939	1.3
221.13374	6.3
222.14120	1.3
223.14841	7.1
225.12758	4.0
225.16423	1.8
227.14439	2.3
229.15883	2.4
233.13306	1.5
233.15450	1.9
235.12657	1.7
235.14848	4.7
237.16257	2.9
239.14291	5.0
241.15871	3.3
243.13678	1.8
243.17464	2.2
247.13139	1.9
249.16505	1.6
251.14352	1.7
253.15819	5.9
257.13086	1.4
257.15411	4.7
259.17023	2.8
263.11816	2.1
265.13373	2.2
271.16855	4.0
281.12833	5.5
282.13644	1.5
283.14484	1.4
285.18640	1.4
305.22827	1.5
307.19119	1.5
315.21021	2.8
323.23779	5.4
333.22128	11.8
341.24738	9.7
351.23157	52.4
369.24216	53.6
387.25247	52.4
388.26022	1.8
425.26688	3.4
443.27869	66.6
444.28198	2.9
461.28943	100.0
462.28864	2.4
477.26575	2.0
479.30023	30.3
521.30511	1.8
531.29388	2.0
569.31287	1.4
587.32855	2.2
605.33124	2.4
623.33929	4.2
641.25580	3.7
641.35272	6.3
803.29596	1.6
803.61566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95098	0.2
57.03437	1.3
57.03665	0.2
63.02371	0.4
65.03937	0.5
68.99786	0.4
69.03423	0.3
70.06567	0.2
71.02058	0.5
71.02380	0.3
71.04990	8.6
75.04464	0.4
78.04691	0.3
78.85432	0.3
79.05486	0.4
81.03392	0.6
83.04971	0.7
85.02901	9.8
89.03913	4.3
91.05472	2.5
92.02627	0.7
93.03400	0.6
95.04933	0.3
97.02896	0.9
106.04179	0.3
109.02890	0.5
111.00790	0.3
111.33978	0.3
117.03375	10.7
117.74830	0.2
119.04951	3.8
121.02887	1.1
126.03107	0.3
127.03905	0.4
129.05467	2.6
134.03601	0.7
135.04395	0.9
137.02327	0.5
137.05965	0.4
139.03893	0.8
139.65610	0.2
145.02837	26.8
146.03207	0.4
147.04407	4.3
147.06512	0.5
149.05995	3.9
151.03943	1.1
153.01813	6.4
153.02994	0.5
154.14392	0.2
157.03880	0.2
158.05882	0.3
162.03188	0.3
163.03917	0.6
165.01799	0.8
175.03900	4.6
177.05460	52.7
178.05754	0.7
179.07034	0.4
183.02945	0.3
186.05507	0.9
190.81334	0.2
195.06525	2.5
201.05447	0.7
207.06519	8.5
217.04984	0.8
228.04132	0.9
229.04973	2.8
231.02895	0.4
231.06439	0.3
233.08122	0.4
243.06352	0.3
245.04509	1.3
246.05200	1.4
257.04498	1.7
259.09589	0.3
261.07629	1.0
271.06030	0.3
272.14545	0.2
273.03964	1.4
274.04691	4.0
284.03192	0.6
285.03897	3.9
287.05487	17.0
288.05783	0.6
302.04211	11.0
303.04739	0.3
303.08658	0.4
317.06543	100.0
318.06943	2.0
321.09683	1.9
323.11328	0.4
331.82370	0.3
339.07733	0.2
339.10812	2.5
351.10602	0.3
359.07666	0.5
491.65527	0.2
495.80374	0.2
501.88364	0.2
672.64539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.0
61.02906	0.3
63.02350	0.3
65.03931	0.3
69.03412	0.3
69.71280	0.2
70.27892	0.8
70.28310	0.4
71.04988	9.7
81.03419	0.3
83.04979	0.6
85.02902	9.7
87.04427	0.4
89.03912	3.7
91.05466	2.3
92.02615	0.7
93.03374	1.0
95.04951	0.3
95.81631	0.2
96.47567	0.2
97.02879	0.5
103.05486	0.3
107.00401	0.2
109.02853	0.5
117.03377	10.0
119.04932	2.9
119.42996	0.2
121.02885	1.1
124.05221	0.3
126.03087	0.3
127.03898	0.4
129.05461	2.9
134.03612	0.9
135.04437	1.1
137.02321	0.3
137.05977	0.6
139.03918	0.6
145.02837	29.3
146.03171	0.6
147.04402	3.7
147.06471	0.3
149.05971	4.4
151.03882	0.9
153.01825	7.0
162.03084	0.2
163.03844	0.6
165.01859	0.6
175.03903	2.9
177.05461	52.8
178.05777	0.5
179.07042	0.2
179.34528	0.2
186.05493	0.9
191.07048	0.2
195.06555	1.7
201.05463	0.8
203.03394	0.4
203.07101	0.3
207.06532	5.6
217.04929	0.6
218.05754	0.4
219.28349	0.2
228.04144	1.1
229.04979	3.0
231.06372	0.4
233.04352	0.3
245.04439	1.1
246.05237	1.5
257.04434	2.2
261.07510	1.3
273.03897	1.8
273.06567	0.3
274.04712	4.0
274.07614	0.4
284.03366	0.3
285.03906	3.8
287.05493	12.6
288.06119	0.4
302.04193	11.7
303.79434	0.3
317.06543	100.0
318.06857	2.2
321.09619	1.2
323.11383	0.3
339.10635	2.8
359.07538	0.4
368.46698	0.3
504.26657	0.2
603.08899	0.2
637.16492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
61.02913	0.5
65.03926	0.5
66.94658	0.2
68.99780	0.5
69.03407	0.9
70.06586	0.3
70.64985	0.2
70.66837	0.6
70.67220	0.4
71.04989	8.6
73.02914	0.3
74.33685	0.2
78.21607	0.2
79.05482	0.3
81.03419	1.2
83.04964	0.7
85.02901	15.3
91.05473	7.2
97.02888	1.9
97.38542	0.2
100.43126	0.2
103.05453	0.2
105.03384	0.3
107.04943	0.5
108.31570	0.3
109.02856	1.3
111.00765	0.5
111.04434	0.5
115.04526	0.2
119.04935	9.7
121.02860	2.5
121.03784	0.3
121.03968	0.2
127.03886	1.1
129.05478	1.9
131.04898	0.3
132.02016	0.3
133.02832	0.4
135.04414	0.3
137.02339	0.9
137.05952	0.8
145.02832	0.6
145.04913	0.6
145.06474	0.4
147.04401	9.3
147.06364	0.4
148.04861	0.2
149.02296	0.5
153.00706	0.3
153.01813	3.1
157.03975	0.5
161.05981	0.3
164.04654	0.3
165.01782	1.5
167.07088	0.3
175.03894	15.7
176.04433	0.3
177.05473	0.4
179.07028	0.6
183.02852	0.7
185.05904	0.4
191.07016	0.3
192.04144	0.6
203.06973	0.3
207.06516	31.0
213.05403	1.2
225.07565	1.6
231.06526	0.8
235.05969	0.3
241.04930	0.9
258.05252	1.1
259.06070	0.3
287.05472	100.0
288.05844	1.5
299.05371	0.8
351.10474	0.3
369.11798	2.0
413.08636	0.3
481.02020	0.3
515.17456	0.6
579.69910	0.2
655.16351	0.4
687.59082	0.3
771.15527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2228
Annotation	Isorhamnetin 3-(3'''-ferulylrobinobioside)
Peak:m/z	Relative Intensity
57.03436	2.0
61.02925	0.4
65.03926	0.8
68.99791	0.6
69.03410	0.8
69.84334	1.6
71.01360	0.3
71.04988	13.7
73.02889	0.5
75.04473	0.5
81.03417	1.2
83.04955	1.0
85.02899	22.4
87.04451	0.3
89.03902	3.1
91.05473	6.0
92.02628	0.7
93.03395	0.8
95.04949	0.5
97.02883	2.2
99.04492	0.3
103.05405	0.3
105.03341	0.3
107.04930	0.5
109.02821	1.4
111.00797	0.6
111.04416	0.6
117.03371	9.4
119.04938	8.4
121.02856	2.2
121.06496	0.3
126.03115	0.3
127.03920	1.3
129.05470	3.9
129.06961	0.3
132.02022	0.3
134.03604	0.6
135.04411	1.0
137.02335	0.6
137.05966	0.8
139.03883	0.8
145.02837	22.4
145.04938	0.9
147.04402	7.8
147.06512	0.8
149.02356	0.3
149.05972	3.3
150.23386	0.3
151.03906	1.0
153.01819	7.4
157.03915	0.4
161.05959	0.3
163.03879	0.7
164.04631	0.2
165.01787	1.6
167.07104	0.4
175.02344	0.4
175.03897	13.6
177.05460	43.0
178.05841	0.5
179.07039	1.0
180.22791	0.3
183.02878	0.5
185.05905	0.3
186.05589	0.4
191.07062	0.3
195.06483	1.8
201.05402	0.8
203.03400	0.5
207.06516	24.0
208.06888	0.4
213.05374	0.3
217.05009	0.5
218.05716	0.6
219.06566	0.3
225.07556	0.7
228.04254	1.3
229.04892	2.4
231.06371	0.3
241.04857	0.4
243.06407	0.3
245.04404	1.2
246.05298	1.6
257.04456	2.2
258.05267	0.8
259.06061	0.3
261.07495	0.5
273.03860	1.3
274.04675	3.7
284.02844	0.4
285.03888	3.7
287.05481	65.2
288.05914	1.3
291.08609	0.6
302.04190	10.8
303.04956	0.3
317.06534	100.0
318.06973	1.4
329.06592	0.8
333.09531	0.4
339.10733	2.0
351.10681	0.9
369.11584	1.4
485.16397	0.5
637.14594	0.3
655.16266	1.0
662.76654	0.3
804.65228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.0
57.07063	4.4
57.11210	2.7
61.02927	21.3
67.05501	17.6
69.07067	16.3
70.06591	4.5
70.10343	3.8
70.10757	10.9
70.29383	3.1
71.01374	3.1
73.02901	14.0
79.05476	10.7
81.03406	3.9
81.07052	40.2
83.08604	10.4
85.02895	49.4
87.04385	2.6
91.03942	37.6
91.05469	8.2
93.07046	19.2
95.01332	15.4
95.04968	5.3
95.08598	77.0
95.09168	5.8
97.02882	22.8
97.10178	7.3
99.45249	2.6
101.02394	2.8
102.47549	2.7
105.07008	14.7
107.04957	4.3
107.08586	31.3
109.02868	2.7
109.06567	4.3
109.10147	51.5
119.08569	25.7
121.10143	36.5
123.11697	24.9
125.09597	3.4
127.03890	22.2
131.08566	8.7
133.10126	22.1
135.07967	2.6
135.11687	25.1
137.05920	3.7
137.13264	23.8
141.01817	75.3
145.04936	29.7
145.10152	12.7
147.11703	13.5
149.13257	29.3
159.02853	22.6
159.11682	10.5
161.13234	17.6
163.06007	80.1
163.14799	14.3
171.11678	4.5
173.13286	8.5
173.65639	2.5
175.14827	12.3
177.03957	10.1
177.16367	28.2
179.17976	4.3
187.14833	7.0
189.16422	16.2
191.17937	22.1
201.16354	11.0
203.17952	18.9
205.19495	33.3
207.17432	3.1
215.17947	16.5
217.19539	16.6
219.17461	6.1
229.19563	15.6
231.21111	6.1
233.19016	12.0
241.19499	3.4
243.21106	3.4
245.22742	5.5
247.20555	7.1
255.20981	4.0
257.22647	4.8
269.22678	4.0
271.24210	3.3
273.86041	2.5
275.23792	7.9
301.25391	4.7
321.07965	3.3
339.09103	3.5
407.36737	37.4
425.37723	100.0
798.42523	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	797.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
57.07475	0.9
61.02930	4.9
67.05502	5.0
69.03426	3.3
69.07054	1.7
71.04945	0.9
71.56870	1.1
73.02914	4.2
79.05514	3.4
81.07064	5.6
85.02914	6.3
91.03962	3.9
91.05491	2.9
93.07056	4.0
95.08611	3.0
97.02873	5.0
101.02393	1.9
107.08602	2.3
109.10143	1.4
119.08608	1.0
121.09184	0.9
121.10121	1.6
127.03905	1.5
147.01160	0.9
150.49712	0.9
249.73151	1.0
424.46332	0.9
430.22968	1.0
467.20749	0.9
519.29279	18.3
797.51685	100.0
798.52338	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	797.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.6
57.07059	2.3
61.02924	22.7
61.71982	0.7
65.03928	0.8
65.98775	0.7
67.05170	1.3
67.05499	19.1
68.99795	0.9
69.03427	5.7
69.07063	13.8
70.06584	1.7
70.18318	2.8
71.01331	2.2
71.04965	1.0
73.02910	11.4
74.25459	0.7
79.05486	12.9
81.03407	2.9
81.07051	37.9
83.01331	1.5
83.04977	1.2
83.08604	8.0
83.98750	0.8
85.02900	50.9
85.06526	0.8
91.03407	1.3
91.03953	23.8
91.04944	1.2
91.05472	10.1
93.06477	1.6
93.07037	26.8
95.01324	37.8
95.04974	2.6
95.08601	73.4
96.08925	1.1
97.02288	1.4
97.02884	23.2
97.03507	1.4
97.06496	1.8
97.10172	4.5
99.00809	3.4
99.04441	1.3
99.08071	2.1
101.02386	2.6
103.03934	4.8
105.07028	26.3
107.08586	45.5
109.02868	1.2
109.06475	2.0
109.10151	50.7
111.08077	13.5
111.11707	1.9
113.02390	4.0
115.03918	1.4
115.05453	0.9
117.07001	2.9
119.08579	32.9
121.10138	37.6
121.11023	1.9
123.08033	1.2
123.11697	20.2
125.09614	3.8
127.03918	11.6
129.07024	1.3
131.03394	3.2
131.08569	10.2
133.10124	33.6
135.08061	1.0
135.11679	29.2
137.06032	1.3
137.09554	1.5
137.13257	5.1
139.11165	5.8
141.01816	100.0
143.08597	2.4
145.04970	13.8
145.10114	16.3
147.11674	24.7
149.13255	22.1
151.11171	3.1
151.14803	2.0
153.12654	1.4
157.10164	4.2
159.02878	17.7
159.08130	0.9
159.11685	22.0
161.13242	25.5
163.06009	27.2
163.11186	2.0
163.14810	23.0
165.12764	3.4
167.14281	1.3
171.11688	3.1
173.13248	11.9
175.14822	20.7
177.03928	5.5
177.12842	1.4
177.16382	20.0
179.17947	2.4
185.13235	3.6
187.14825	12.2
189.16374	19.4
191.14326	2.5
191.17909	11.5
193.15926	4.3
195.17444	7.7
197.13333	1.5
199.14836	4.6
201.16362	15.6
203.17950	34.7
205.15858	6.3
205.19423	3.8
207.17421	9.7
211.14804	2.0
213.16304	4.1
215.17950	14.4
217.15959	2.2
217.19498	21.2
219.17439	11.6
221.19002	11.5
225.16368	2.0
227.17943	6.0
229.17351	1.2
229.19511	17.3
231.17369	1.9
231.20987	2.3
233.19019	7.4
235.20602	2.2
235.38319	0.8
239.17957	1.4
241.19502	3.4
243.21086	6.3
245.19037	4.3
245.22545	1.0
247.20554	11.4
253.19490	1.4
255.21021	3.8
257.19421	0.9
257.22644	5.7
261.22083	2.8
267.20874	1.5
269.22586	5.3
271.24197	2.0
273.22153	2.2
275.23636	2.3
278.58932	0.8
281.22473	1.5
283.24200	2.9
285.22263	2.1
287.23654	1.7
295.24280	1.7
297.25674	2.6
301.25345	1.6
311.27249	1.8
313.25076	1.9
315.26782	4.3
321.08060	1.0
329.28348	2.5
351.30582	1.1
353.28336	1.0
365.32016	6.6
369.31607	1.1
379.86221	1.0
383.33051	7.0
405.35104	14.5
411.36072	2.6
423.36182	88.0
424.36438	2.1
441.37256	61.8
442.37668	1.2
581.38098	4.4
599.39191	9.0
617.40820	1.0
797.42194	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	797.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.2
57.07057	2.3
59.08338	1.4
61.02920	27.1
65.03944	1.8
67.05501	20.5
69.03413	6.3
69.07063	13.4
69.30853	3.2
69.31270	13.5
71.01339	3.8
71.04980	2.1
73.02908	15.9
73.44089	1.3
75.30896	1.3
75.31380	1.5
77.87872	1.2
79.05494	11.7
81.03407	3.7
81.07052	40.6
83.04945	2.5
83.08620	11.0
85.02900	54.8
85.06528	1.6
91.03951	29.8
91.05471	14.6
93.07040	32.2
95.01324	36.8
95.04961	3.5
95.08600	79.3
97.02292	1.6
97.02892	23.7
97.10155	5.8
99.00811	3.5
99.04414	1.7
101.02383	2.3
101.19846	1.5
102.03280	1.3
103.03922	5.4
105.07022	30.0
105.07690	2.5
107.04909	1.7
107.08584	48.2
109.06535	2.8
109.10151	52.6
111.08064	14.8
111.08703	2.0
113.02358	4.9
115.03882	1.9
116.84389	1.4
117.07014	3.0
119.08573	40.8
121.10131	37.9
123.00803	1.7
123.11680	17.9
125.09642	2.6
127.03908	16.5
129.07056	1.9
131.03372	2.8
131.08578	10.9
133.10123	40.3
135.11674	29.2
137.13210	8.2
139.11226	7.1
141.01814	100.0
143.08540	3.4
145.04950	14.4
145.10107	19.4
147.11670	28.3
147.30774	1.4
149.13254	25.4
151.11153	3.8
151.14778	2.0
157.10115	2.6
159.02873	17.8
159.11678	22.6
161.13232	27.4
163.04716	2.6
163.06012	31.8
163.11153	1.7
163.14810	18.9
164.78423	1.3
165.12723	4.2
167.14246	1.4
171.11682	3.4
173.13235	14.1
175.13324	1.9
175.14806	22.4
177.03954	6.9
177.16376	20.0
179.17934	2.6
185.13214	4.1
187.14824	11.7
189.16367	20.9
191.17960	12.1
193.15878	5.7
195.17465	7.0
199.14815	5.2
201.16382	22.3
201.18221	1.9
203.17943	40.3
205.15855	7.5
205.19579	4.0
207.17398	9.6
211.14934	1.7
213.16383	4.5
215.17987	16.4
217.15923	2.2
217.19507	21.4
219.17413	12.0
221.19035	11.7
227.17938	6.4
229.19461	20.3
231.17310	2.2
231.21135	3.3
233.18964	10.7
235.20531	2.3
238.03862	1.4
239.17978	2.5
241.19579	4.1
243.21043	7.3
245.19017	5.3
247.20592	13.0
253.19467	1.7
255.20975	3.3
257.22659	6.3
261.22104	4.5
267.21216	2.1
269.22562	3.3
271.24133	3.7
273.22159	4.8
275.23700	3.5
281.22522	2.2
283.24142	3.4
285.22296	1.9
287.23679	3.1
295.24136	1.8
297.25681	2.3
301.25262	2.3
311.27255	2.8
313.25275	2.1
315.26794	3.5
329.28458	3.3
339.69946	1.6
351.17868	2.0
365.32083	4.8
383.33200	6.2
405.34946	15.9
411.36069	3.6
423.36185	98.7
424.36646	1.6
441.37262	70.7
498.93875	1.8
551.28131	1.8
581.38239	5.0
599.38934	9.7
759.94678	1.9
797.42731	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4219
Annotation	CHEBI:69769
Peak:m/z	Relative Intensity
68.05001	0.4
69.07074	2.0
69.69640	2.4
70.06588	100.0
71.06930	0.9
71.51275	0.3
81.04509	0.4
84.08132	4.2
86.09701	20.0
91.05467	3.0
93.07032	1.0
95.04980	0.6
98.06038	2.6
98.20754	0.8
103.05470	3.1
105.07070	0.9
109.07661	0.7
112.07599	1.4
115.08706	2.9
117.07004	0.4
119.04996	0.6
120.08097	60.9
121.08434	0.9
125.07105	0.6
126.05499	0.5
130.06526	1.6
131.04919	0.8
132.08076	0.5
136.07591	0.9
137.07088	4.0
138.12798	2.8
140.07066	1.3
141.39252	0.4
147.04468	0.4
149.07104	1.0
152.08217	0.4
160.07585	2.0
161.09557	0.5
163.12299	0.6
165.13904	0.7
171.04436	0.5
172.11241	0.8
175.08720	1.2
177.09117	1.0
181.13339	1.7
182.08023	0.4
186.12914	0.6
188.14330	3.2
189.05493	1.0
189.09079	2.3
190.12277	0.5
191.11732	2.5
202.12259	4.4
206.08070	0.8
209.12840	13.8
209.14780	0.8
210.13235	0.5
213.09062	0.5
214.12239	0.5
217.13332	10.2
222.12827	0.8
227.11951	1.1
231.10165	2.3
231.15065	1.2
233.16486	5.7
245.12819	5.1
248.12825	5.6
259.14569	1.4
261.15942	4.0
265.15479	4.6
284.13861	0.6
287.13852	0.6
295.16699	0.4
310.19156	0.7
312.20853	1.2
338.18610	4.5
356.19678	21.5
357.20300	0.8
361.21268	1.0
362.20761	1.1
390.20145	1.7
400.22021	0.4
412.22437	1.0
440.21991	1.0
442.23282	0.7
468.21390	0.7
469.28259	1.0
475.27133	1.6
485.25351	0.6
503.26492	2.5
508.28168	1.4
509.27704	0.7
525.30890	1.0
537.27057	4.2
553.30206	5.3
563.28711	0.5
581.29810	0.8
588.35400	0.4
616.34717	0.6
622.36237	1.1
650.35474	8.1
651.35480	0.5
656.34149	1.0
684.33636	1.8
725.43677	0.6
769.42847	3.7
770.43317	0.5
779.41235	0.8
797.42181	21.4
798.42706	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	796.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72088	1.6
57.03426	6.7
61.02914	5.8
65.03922	1.8
67.05502	11.0
69.03429	13.6
69.07063	6.9
69.31007	15.8
71.01350	5.0
71.05011	2.1
73.02917	40.4
79.05480	7.6
81.03413	3.3
81.07058	19.7
83.08626	3.4
85.02903	26.5
85.56429	1.4
91.05470	6.5
93.07047	14.3
95.01331	13.3
95.04979	2.9
95.08610	21.8
97.02891	29.5
97.06548	4.5
97.10181	2.9
101.02383	2.3
102.50473	1.4
103.03928	3.2
105.07033	16.5
107.04999	1.7
107.08598	17.0
109.02893	2.1
109.06539	1.8
109.10158	14.1
111.04453	1.4
113.02360	3.3
115.03920	14.0
117.07023	2.5
119.08572	25.8
121.10147	13.8
123.11688	4.8
125.09636	2.3
127.03905	1.6
128.25739	1.4
129.06961	2.2
130.07700	1.5
131.08553	7.7
132.06572	1.7
133.04985	8.1
133.10133	15.4
135.11685	6.9
137.02336	2.6
139.03876	2.0
141.01828	45.7
143.08556	4.5
145.10121	17.1
147.11713	11.2
149.13248	8.8
150.07608	4.3
153.09010	1.5
157.10135	4.6
159.02914	9.8
159.11665	11.4
161.13261	9.1
163.11176	2.2
163.14818	9.2
169.10138	1.7
171.11687	5.1
171.15935	1.4
173.13155	7.4
175.14841	19.0
177.16441	11.7
184.07271	2.3
185.13272	4.4
187.14848	22.7
189.16383	20.7
191.17957	5.7
197.13301	2.7
199.06042	2.1
199.14934	7.6
199.16426	1.5
201.16389	18.4
203.14314	2.7
203.17928	11.1
205.15863	10.1
207.17334	1.9
211.14705	1.9
213.16379	6.8
215.17989	5.3
217.07085	6.1
217.15866	4.0
217.19669	1.7
219.05005	3.2
219.17525	3.7
221.15347	1.9
225.16338	4.5
227.17874	3.6
229.19525	2.6
233.19057	3.4
239.18019	2.6
241.19487	3.0
242.93288	1.4
243.08287	1.6
247.16876	2.8
249.18686	2.6
253.52217	1.5
255.04880	2.1
267.21066	2.7
273.06042	4.4
281.22595	3.5
285.07520	1.7
286.08041	2.1
291.07162	1.7
301.10748	1.6
315.65323	1.8
326.10938	1.7
327.23053	2.4
381.31665	2.0
389.32065	4.5
407.27698	3.6
407.33096	67.3
409.34741	3.5
425.34213	16.7
435.32629	29.6
453.33630	100.0
454.33789	5.1
471.34927	2.4
526.53149	1.6
583.36005	2.2
623.52112	1.7
796.41534	9.6
797.42798	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
58.61477	0.8
59.18087	1.0
61.02918	4.4
61.14679	0.8
67.05513	9.1
67.38194	0.8
69.03084	0.8
69.03413	5.3
69.07067	3.7
69.07427	0.9
70.00391	0.9
70.06583	6.3
71.01351	0.8
71.04976	3.3
71.57954	1.4
71.58336	1.0
72.23541	0.8
73.02904	3.4
79.05500	6.1
81.03413	4.1
81.07057	8.5
83.08595	1.2
85.02893	5.1
85.06554	0.9
91.03948	2.7
91.05480	5.1
91.53955	0.9
93.07037	5.9
95.04951	1.3
95.08602	3.3
97.02893	5.6
97.06466	0.9
99.04460	1.6
101.02359	2.2
105.07010	3.5
107.08575	4.1
109.02843	1.0
109.06536	1.3
115.03877	1.0
115.42789	0.8
118.91142	0.9
119.08631	1.1
121.10134	1.4
123.11681	1.8
127.03871	1.6
131.08565	2.1
133.10161	2.5
135.11649	1.0
151.11183	1.4
181.62692	1.1
187.13243	1.1
196.85698	1.0
243.08403	3.1
267.15878	1.8
284.92007	0.9
335.26007	1.3
439.19238	0.9
453.21106	1.8
462.42606	0.9
485.23468	8.6
551.28577	7.5
633.46204	1.9
706.80090	1.1
721.41962	1.8
786.00073	1.2
795.44843	100.0
796.45160	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	795.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.5
67.28020	1.0
68.86504	1.0
69.03423	1.9
69.07090	1.0
71.58137	1.2
71.58830	1.0
78.54002	1.1
81.03436	1.6
81.07048	3.8
85.02896	2.1
91.05478	3.3
93.07047	2.4
94.06589	1.1
95.08582	1.8
109.10131	2.4
119.08579	1.3
119.86924	1.0
131.08563	1.2
159.11670	1.3
211.12338	1.4
224.13109	1.6
225.13815	2.9
237.13795	2.4
249.13805	1.4
251.08272	1.3
335.25967	1.1
403.15381	2.3
417.16824	4.4
418.17715	2.3
431.18820	1.9
432.19623	3.0
433.19943	5.6
447.21936	12.1
459.21841	1.4
461.19592	2.1
475.21310	26.2
476.22116	3.3
489.22543	1.7
503.20703	3.7
519.23669	2.0
535.23273	18.2
547.23010	3.8
549.25055	2.8
561.25067	8.5
562.25812	7.3
563.26526	3.5
590.24603	2.2
607.25848	1.5
621.26892	12.1
622.27814	100.0
623.27802	3.8
628.60431	1.5
647.04248	1.4
795.43713	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	794.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56592	0.5
57.03419	0.8
59.21658	0.6
65.03934	3.2
67.05487	1.9
69.03417	1.4
70.06590	0.7
71.04980	1.1
71.57121	0.8
75.04464	1.8
77.03899	0.8
78.04695	1.5
79.05489	2.7
81.03398	2.5
81.07036	1.1
83.04961	0.9
85.02899	4.9
85.48425	0.5
86.06057	0.7
86.62634	0.5
91.05479	8.4
93.03397	6.2
93.07045	3.0
94.04168	0.9
94.06644	0.4
94.07320	0.5
95.04964	5.2
97.02878	1.4
97.06502	1.8
99.04454	0.6
103.05461	16.0
105.03383	1.0
105.07021	3.8
106.04169	11.5
107.04943	5.8
108.02097	0.8
109.02834	0.8
109.06533	1.4
110.03649	1.1
111.04400	1.0
115.05450	2.8
117.03356	1.2
117.07018	2.1
118.04147	2.3
119.04932	2.0
121.06498	15.5
122.03624	1.5
123.04417	2.3
125.05991	4.9
127.03920	0.8
128.06223	0.8
129.06984	1.3
131.04922	21.6
131.08516	0.7
132.05609	0.5
133.02866	1.4
133.06471	3.0
134.03601	1.8
135.04405	1.8
135.08026	1.0
137.05968	41.9
138.06686	0.6
139.07518	1.2
141.05455	1.7
143.04944	0.9
145.02815	0.9
145.04999	0.5
145.06435	2.9
146.03603	0.8
147.04402	1.5
147.08018	1.2
148.05165	7.1
149.05968	25.4
151.03897	46.3
151.04935	1.9
151.07472	2.4
152.04358	0.9
153.05449	2.2
153.09085	7.0
160.05199	0.9
161.05920	2.4
163.03857	2.3
163.07545	15.2
165.05501	2.5
165.09198	0.7
166.06259	1.2
167.07051	8.2
173.05928	2.8
175.07538	4.6
176.04646	1.4
177.05450	18.3
179.07018	1.5
181.04958	14.2
181.08580	14.4
187.07549	1.4
189.05507	1.4
189.09138	0.7
191.07018	58.1
192.07553	0.8
193.05048	0.7
193.08543	3.0
195.06526	2.1
203.06995	2.5
205.06744	1.1
205.08597	2.0
207.06589	0.8
207.10156	0.8
209.08081	100.0
210.08449	1.9
217.08496	0.8
219.10210	1.0
221.08069	0.8
226.64360	0.6
227.07076	0.7
230.15277	0.8
233.08087	2.1
235.07501	0.8
235.09613	2.0
236.08226	0.6
237.09036	0.6
239.31718	0.5
249.09114	0.9
249.29796	0.5
263.06625	0.7
263.09131	9.7
265.08636	2.0
277.08615	0.9
295.09583	0.8
299.09015	0.6
305.08096	0.6
309.11130	0.9
314.11377	0.6
323.10385	0.5
325.10391	0.6
327.12329	1.7
329.14044	1.1
337.10620	1.1
341.13748	0.8
351.12283	0.7
355.11801	4.3
357.13528	1.2
359.14862	1.2
369.13077	2.5
378.20615	1.2
387.14392	23.2
388.14804	0.9
407.78464	0.5
470.25223	2.2
547.19604	1.1
567.21613	0.6
570.02344	0.6
579.22375	1.2
614.35016	0.6
632.30359	2.0
637.21893	0.7
702.54596	0.6
748.53198	0.6
781.02863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
61.77220	0.7
65.03942	3.4
67.05492	1.7
69.03418	1.3
69.07073	0.8
70.06556	0.7
71.04981	1.8
71.56228	0.8
71.56567	0.8
73.76315	0.6
75.04458	2.0
75.44262	0.5
78.04709	1.9
79.05487	4.8
79.05878	0.8
81.03405	3.3
81.07054	1.5
83.04973	0.6
85.02898	6.7
86.09677	0.6
87.04483	0.7
89.03922	0.8
91.03964	0.5
91.05473	8.7
93.03405	7.4
93.07049	4.3
94.04177	1.7
95.04958	5.4
95.08601	1.1
97.02876	1.1
97.06529	1.5
99.04459	0.6
103.05468	18.2
105.03406	1.5
105.07018	4.3
106.04160	14.6
107.04964	6.4
108.02078	1.0
109.06528	1.5
110.03664	0.9
111.04464	1.6
115.05441	2.5
117.03402	0.9
117.07018	3.4
118.04162	3.7
119.04936	2.2
119.08562	0.9
121.06497	18.2
121.10203	0.8
122.03635	2.6
123.04411	2.8
124.05215	1.0
125.05994	6.5
127.03865	0.7
128.06241	0.9
129.06998	1.4
131.04926	26.1
131.08513	0.9
133.02908	0.9
133.06454	4.1
134.03615	2.3
135.04402	1.7
135.08081	1.8
137.05975	52.7
139.07564	2.0
141.05466	2.7
143.04887	1.9
145.02832	1.6
145.06483	3.5
146.03604	1.0
147.04402	2.3
147.08026	1.4
147.11665	0.9
148.05199	8.0
149.05980	32.7
149.09706	1.0
151.03900	57.3
151.04953	3.0
151.07513	2.4
152.04495	0.8
153.05486	3.5
153.09109	8.7
157.06526	1.8
157.61165	0.7
159.07970	0.7
160.05208	1.4
161.06001	3.2
163.03912	2.6
163.07536	19.6
165.05511	2.9
166.06203	1.0
167.07037	10.5
171.06636	0.7
172.50661	0.7
173.05936	3.1
175.07541	5.4
176.04684	3.0
177.05472	20.4
177.09012	0.9
179.06981	0.9
181.04967	15.7
181.08560	15.5
187.07498	2.0
189.05420	1.6
189.09003	0.9
190.06271	1.2
191.07018	63.4
192.07458	1.9
193.08562	2.9
195.06555	1.6
203.07054	2.8
205.06613	1.0
205.08551	2.3
207.06427	0.8
207.10043	1.4
209.08087	100.0
210.08401	1.1
217.08496	0.9
219.10225	1.2
225.09293	0.7
230.15436	1.5
233.05974	0.9
233.08127	2.2
235.07497	1.3
235.09718	2.1
237.09030	1.2
245.08018	0.7
249.09299	0.7
263.09167	10.9
265.08527	1.3
267.10297	1.0
277.08530	1.3
279.10345	0.8
293.08347	0.9
295.09631	2.2
297.11237	1.0
309.11108	0.9
323.09079	1.0
325.10703	1.4
327.12308	2.0
329.13837	1.6
337.10794	0.7
351.12366	0.7
354.68243	0.8
355.11813	5.5
357.13220	1.9
359.14853	1.0
369.13330	2.3
378.20697	1.5
387.14380	21.3
452.24344	1.1
470.25403	1.7
579.22424	1.4
632.30237	1.2
726.28339	0.7
794.39294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96586	1.0
57.03435	1.0
59.41525	0.9
60.63008	0.8
60.92056	0.8
60.94410	0.8
61.02924	1.0
63.51061	0.8
65.03942	2.6
67.04304	0.8
67.05492	2.1
67.56704	0.8
69.03434	1.9
69.07052	0.8
71.04987	2.0
71.57271	1.4
75.04473	1.2
78.04684	1.5
79.05496	4.0
81.03424	2.4
81.07038	1.6
85.02907	6.8
85.79877	0.8
86.06062	1.9
89.03873	1.0
91.05473	7.4
93.03404	6.5
93.07037	4.3
94.04185	0.8
95.04957	5.6
95.08586	1.0
97.02910	1.4
97.06516	2.3
98.06013	1.1
103.05468	16.6
105.07000	4.3
106.04157	11.3
107.04935	6.8
110.03635	0.8
111.04438	1.5
112.03465	0.9
115.05463	2.0
117.07014	2.5
118.04169	1.9
119.04926	2.1
121.06499	14.9
122.03663	2.1
123.04451	2.1
124.05244	1.0
125.05988	5.5
128.06219	0.9
129.07016	1.9
130.04164	1.0
131.04926	20.8
132.05737	1.8
133.02814	1.6
133.06488	3.0
134.03606	2.9
135.04446	1.9
135.08012	1.6
137.05971	38.1
139.07506	1.9
141.05466	1.7
143.04922	1.4
145.06471	3.1
147.04356	1.1
148.05188	7.2
149.05971	25.4
151.03903	41.5
151.04991	2.7
151.07553	2.5
153.05479	2.6
153.09113	6.1
155.07074	1.1
159.04399	1.2
161.06020	2.7
163.03821	1.2
163.07532	15.6
165.05443	2.1
167.07034	13.3
173.05963	2.3
175.07504	5.1
176.04727	1.3
177.05463	19.3
179.07051	2.1
181.04959	15.8
181.08568	16.0
187.07573	1.9
188.97472	0.9
189.05586	0.9
189.09071	1.0
191.07027	55.4
193.05028	1.0
193.08566	3.6
195.06387	1.2
203.07024	2.1
205.08594	2.6
207.06493	1.3
207.10143	1.2
209.08078	100.0
210.08472	1.2
219.10074	1.4
221.08006	1.3
231.06532	1.2
233.08099	2.8
235.07535	1.6
235.09694	2.4
245.08305	1.0
263.09119	13.1
267.10156	1.1
270.15082	0.9
277.08768	1.2
288.83759	0.9
327.12204	2.1
329.13983	1.8
335.99609	1.0
339.12277	0.9
355.11761	3.4
357.13260	1.5
359.15021	1.2
369.13297	2.6
378.20627	1.5
387.14395	20.2
387.19318	0.7
417.15439	2.5
470.25320	2.7
632.30170	1.7
709.48560	1.0
756.27930	0.9
794.40369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05511	25.6
57.03187	1.3
57.03436	14.9
57.07056	3.3
59.05002	1.0
61.02924	5.6
65.03940	5.2
67.05503	100.0
69.03415	1.4
69.07066	21.4
69.33909	5.6
69.34326	2.3
71.04980	3.0
71.08656	0.8
73.02901	1.6
79.05490	71.2
80.05806	0.9
81.03413	1.4
81.07054	95.3
83.04980	2.3
83.08610	12.0
85.02903	4.2
85.06538	2.6
91.03923	1.3
91.05478	40.1
93.07040	77.1
95.04967	9.5
95.08603	76.0
95.09246	1.1
96.08958	0.8
97.02904	1.9
97.06529	5.5
97.10161	3.7
98.20724	1.7
99.08091	2.8
103.05441	1.0
105.04501	1.6
105.07027	27.5
107.08590	40.6
109.06512	2.6
109.10154	28.9
111.08081	3.2
111.11712	1.5
115.05374	0.9
117.07012	11.5
119.08575	25.2
121.10141	30.5
123.08057	2.3
123.11702	10.9
129.07005	2.6
131.08563	19.9
133.10124	22.4
135.11687	18.1
135.12709	1.1
137.09595	1.5
137.13235	3.1
143.08597	3.2
145.10126	13.0
147.11685	13.5
149.09633	1.0
149.13240	12.2
151.11200	0.9
151.14783	1.3
157.10133	2.0
159.11681	11.9
161.13232	8.3
163.11168	1.3
163.14815	4.2
169.10187	1.1
171.11679	3.4
173.13268	10.7
175.14839	3.3
177.16400	2.1
185.13271	2.4
187.14767	3.9
191.14305	1.4
201.16356	1.8
213.16478	1.2
223.14798	0.9
241.19540	3.1
243.21078	5.5
259.20578	7.9
261.22134	20.2
263.23706	2.0
277.21344	0.9
315.23123	0.9
317.24814	3.6
333.24231	3.2
335.25793	99.3
336.26212	1.1
337.27319	7.1
521.43311	2.4
595.40253	0.9
595.47290	11.4
613.48450	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.4
55.05505	22.9
57.03438	9.9
57.07077	3.3
61.02917	3.7
65.03934	4.5
66.92847	1.6
67.05503	71.3
69.03438	9.0
69.07064	25.4
70.06583	2.8
71.04994	35.5
71.58195	1.7
73.02906	2.1
79.05493	44.6
80.05824	2.4
81.03419	5.6
81.07052	100.0
82.07402	2.1
83.04977	9.3
83.08622	13.5
85.02898	4.3
85.06538	7.4
91.05479	47.5
93.06471	3.6
93.07042	50.4
95.04990	10.1
95.08604	24.5
97.02877	3.6
97.06522	14.2
97.10168	12.7
99.08078	4.1
105.07029	37.7
107.04940	5.8
107.08594	30.8
109.02898	2.7
109.06500	5.1
109.10164	16.0
111.08079	4.5
117.07034	14.4
119.08582	19.7
121.06490	2.4
121.10136	16.5
123.08064	2.5
123.11723	16.8
125.09592	8.6
129.07005	5.3
131.08565	14.4
133.10130	27.9
135.08081	3.6
135.11707	11.9
142.07710	1.8
143.08553	4.1
145.10130	10.7
147.07912	2.4
147.11700	9.4
149.09593	7.3
149.13341	9.7
151.11157	7.4
155.08551	3.1
157.10155	5.4
159.11703	10.7
161.13240	5.9
163.11160	3.7
169.09982	2.0
171.11667	3.2
173.04395	1.9
173.13243	4.0
177.12749	6.4
183.13780	3.4
184.07341	2.2
187.13286	4.9
189.11186	5.5
189.12813	2.0
195.13783	5.7
197.13309	2.2
225.14844	2.9
227.12750	13.7
231.15617	2.0
241.14272	2.6
241.19449	2.9
243.15829	4.8
257.19250	2.4
259.20474	3.8
269.17499	11.4
275.20068	21.4
292.18805	2.8
293.19254	2.7
294.19431	1.9
301.20114	21.8
333.24213	2.4
349.23697	14.2
423.27454	4.2
427.26669	6.0
432.86353	2.0
437.29016	14.1
449.28867	9.6
451.30545	7.8
463.30618	11.3
481.32190	2.8
495.33301	17.8
499.34067	4.2
517.35217	41.5
531.36816	6.1
543.36700	19.9
575.39313	19.9
607.34760	2.4
790.50299	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	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.8
55.05510	23.1
56.09189	2.6
57.03438	16.7
57.07063	3.3
61.02915	5.8
65.03952	2.8
67.05501	89.7
69.03426	10.4
69.07059	38.5
70.16875	2.6
70.31567	4.8
70.31966	5.5
71.04974	12.0
77.17953	2.6
79.05489	75.4
81.03411	25.0
81.07049	100.0
83.04974	28.0
83.08616	17.0
85.02885	9.3
85.06531	7.5
87.76131	2.7
87.82404	2.9
91.05476	67.9
93.07035	83.6
95.04965	30.4
95.08609	38.9
97.02898	7.5
97.06526	35.7
97.10144	7.7
99.04430	7.2
99.08093	6.0
105.07029	37.5
107.04948	40.7
107.08592	41.8
109.02876	4.1
109.06513	14.6
109.10156	15.1
111.04444	19.2
111.08068	8.0
115.07566	5.6
117.07009	22.4
119.08578	39.6
121.06472	8.0
121.10137	51.2
123.04436	4.0
123.08035	6.6
123.11712	13.0
125.05932	3.6
125.09558	4.3
127.03888	3.0
129.07005	8.8
131.04869	4.4
131.08543	23.8
133.10136	21.9
135.08058	9.4
135.11670	38.7
137.09558	4.1
143.08574	5.5
145.06450	11.4
145.10107	45.3
147.08018	3.7
147.11694	25.2
149.08501	2.9
149.09547	14.2
149.13231	9.5
153.12723	8.2
155.08548	11.7
157.10162	5.6
159.11685	12.0
161.09595	5.5
161.13214	4.9
163.11180	44.1
165.12755	8.5
169.10075	3.8
171.11676	5.2
173.09627	26.8
173.13168	3.6
175.11191	3.6
177.12656	3.3
181.12260	13.0
183.11885	2.7
191.10663	14.7
193.12274	3.6
195.13768	5.3
209.11703	6.8
227.12732	20.8
255.15959	3.5
257.18890	3.0
265.14316	82.3
267.15875	14.3
269.17447	16.3
273.18466	9.6
275.20074	21.5
283.15396	48.8
285.16965	14.8
291.19595	7.9
301.16428	43.4
349.23697	12.1
456.89642	3.2
459.27121	3.6
463.26669	7.9
477.28503	41.0
479.29855	5.4
481.27722	9.8
495.29565	30.0
503.54626	3.1
557.34930	18.1
575.35284	15.0
593.36493	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	789.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	30.7
55.05510	35.4
57.03436	14.6
61.02919	16.7
67.05503	100.0
69.03419	13.5
69.07061	32.8
71.04980	7.0
71.29700	7.6
79.05489	93.0
81.03415	7.0
81.07052	88.4
83.04969	11.4
83.08627	22.4
85.02888	9.0
91.03952	6.0
91.05470	74.9
93.07047	82.0
95.04979	25.1
95.08602	51.8
97.02880	14.0
97.06522	47.4
97.10163	16.9
105.07028	58.7
107.04945	25.5
107.08584	64.8
109.06518	6.9
109.10174	27.9
111.08099	7.4
117.07027	19.9
118.10921	4.8
119.08576	34.4
121.06534	8.6
121.10126	26.6
123.08080	8.9
123.11720	11.0
125.09631	23.7
129.06981	6.4
131.08568	32.0
133.10118	28.0
135.11693	15.5
137.09605	5.3
141.06961	6.2
143.08522	11.2
145.10139	19.7
147.08008	5.6
147.11731	26.2
149.09618	32.5
159.11696	18.6
161.13300	11.0
163.11151	5.4
171.11641	7.7
173.13280	11.9
182.27339	4.4
185.13309	5.0
187.11235	6.8
189.11234	13.3
227.12752	34.5
257.18961	10.2
259.20605	9.4
261.22144	10.7
275.20074	61.7
275.22806	6.3
293.21078	7.7
335.25748	88.6
349.23657	48.2
431.31580	7.7
505.35245	13.1
513.38947	7.9
609.45056	50.0
627.46014	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	789.2075
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03432	1.9
61.02924	1.7
63.75365	0.3
68.99778	0.7
69.03403	0.5
71.04603	0.5
71.04988	9.7
71.56728	0.5
73.02908	0.5
73.10836	0.3
75.04445	0.6
76.23728	0.3
81.03413	0.6
83.04965	1.0
85.02898	12.7
87.04462	0.4
91.03934	0.8
97.02354	0.2
97.02872	1.7
109.02870	1.1
111.00798	1.7
111.04427	0.6
121.02803	0.3
127.03888	1.2
129.05470	2.6
137.02348	2.2
139.03897	0.3
145.04968	0.6
147.06476	0.6
150.25217	0.2
153.01816	7.5
155.16814	0.3
158.17805	0.3
163.06123	0.3
163.25703	0.3
164.42046	0.3
165.01822	3.4
166.02576	0.5
179.03377	1.3
183.02878	0.7
189.05467	0.7
193.01186	0.3
195.02896	0.6
203.03346	0.5
207.02954	0.4
217.04990	2.2
221.04375	0.3
231.02690	0.3
235.02354	0.5
245.04451	3.5
255.02774	0.5
263.05383	0.3
273.03928	3.8
290.04172	1.1
301.03442	1.0
303.04996	4.2
319.04449	100.0
320.04855	2.2
329.02841	0.4
331.04550	0.6
335.03928	0.6
361.05566	1.3
465.10248	1.2
481.09741	16.4
482.09988	0.3
503.87933	0.3
667.90979	0.3
712.28320	0.4
785.27344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2073
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01857	0.3
55.05496	0.6
57.02621	0.3
57.03434	2.9
61.02919	2.8
68.99778	1.2
69.03420	1.5
69.96199	1.6
70.06584	0.3
71.01334	0.3
71.04987	13.6
73.02900	1.4
75.04469	1.3
81.03397	1.0
83.04976	2.9
85.02897	23.0
87.04443	0.4
91.03946	2.4
95.07626	0.3
97.02881	2.6
99.04409	0.6
109.02847	1.3
111.00804	2.0
111.04433	1.8
115.03944	0.3
119.04911	0.3
127.03909	1.9
127.95183	0.3
129.05464	7.0
137.02315	1.4
139.03880	0.3
145.04977	1.9
147.04410	0.8
147.06503	4.2
151.03960	0.3
153.01822	9.0
161.05948	0.3
163.03883	0.7
163.06003	1.2
165.01825	3.4
166.02522	0.5
177.05444	0.5
179.03351	1.7
183.02881	1.1
189.05429	0.7
193.01218	0.5
195.02934	0.6
203.03381	0.5
211.02435	0.3
217.04903	2.8
221.04404	0.4
231.02927	0.5
245.04372	4.7
255.02870	0.6
255.08536	0.3
263.05432	0.7
273.03943	4.7
284.18353	0.3
287.05325	0.5
290.04199	1.0
301.03424	1.5
302.04086	0.4
303.04935	0.7
317.06357	0.4
319.04449	100.0
320.04791	3.8
329.02823	0.4
330.03094	0.3
331.04489	1.4
343.04459	1.0
355.04242	0.4
357.05618	0.3
361.05435	2.2
385.05493	2.1
427.06165	0.4
445.07654	0.4
463.08649	0.6
468.19321	0.3
481.09793	3.3
558.74670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.3
55.05510	20.4
57.03426	5.8
57.07068	2.5
61.02929	8.4
65.03933	3.0
67.05499	40.2
69.03431	9.4
69.07069	13.7
70.06595	3.0
71.04990	2.8
71.58276	2.7
73.02914	5.1
73.89786	1.9
79.05487	30.9
81.03410	11.7
81.07047	32.3
83.04975	5.8
83.08615	7.0
85.02928	10.3
85.06549	2.3
91.03958	5.3
91.05478	27.1
92.05007	3.7
93.07034	23.8
95.04977	6.5
95.08602	20.1
97.02876	10.6
97.06532	9.2
97.10158	4.4
105.07030	21.3
106.06548	3.0
107.04943	3.8
107.08591	19.7
109.02892	3.3
109.06512	3.1
109.10133	14.1
111.08080	2.2
113.05998	1.8
115.05485	2.3
117.07005	11.1
118.06532	23.7
119.08560	19.1
120.08101	4.0
121.10117	10.4
123.08093	3.5
123.11665	4.4
125.09639	3.7
127.03952	2.8
128.06209	3.5
129.07014	7.2
129.19124	1.7
131.08575	14.3
132.08034	4.2
133.06462	2.1
133.10112	14.8
135.08066	3.1
135.11682	5.5
137.09648	2.6
141.07010	5.6
142.07747	2.8
143.08571	9.0
145.10052	11.2
147.11655	9.4
149.09552	2.1
149.13272	3.8
155.08560	9.5
157.10121	11.4
159.11699	10.6
161.13313	2.1
162.09155	21.7
162.56241	1.7
163.09911	6.5
163.11134	2.7
165.67432	1.7
167.08621	3.3
169.10144	7.7
171.11710	5.5
173.11819	3.0
173.13268	6.7
176.10728	2.8
181.10127	4.1
183.11674	8.1
185.13231	5.8
187.14897	4.0
189.11234	2.5
195.11743	4.9
197.13269	5.5
199.14850	3.8
202.15926	4.0
207.11667	4.0
209.13295	2.8
213.16301	2.3
221.13239	3.5
223.15005	2.0
225.16330	2.9
225.56451	1.8
229.14369	3.1
230.15419	38.3
235.14911	2.8
239.17953	3.2
241.19337	2.0
257.18939	2.6
262.17941	2.3
267.15939	2.8
275.20166	9.9
292.19055	100.0
295.20435	2.3
310.18231	2.0
333.24210	3.7
335.26144	2.1
349.23804	4.2
365.28128	2.9
495.35382	2.1
510.26935	6.1
513.35834	14.2
527.37128	2.9
533.39319	2.4
607.43689	19.5
625.44543	42.1
626.44159	7.6
755.37366	2.1
764.20660	2.2
769.48608	2.3
787.48865	6.7
788.49286	99.4
812.77087	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	788.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.6
57.03416	0.8
60.94994	0.4
61.02899	0.9
65.03908	0.9
67.05500	3.6
69.03384	1.3
69.07034	0.9
70.42755	0.3
73.02863	1.5
79.05503	2.0
81.03374	1.4
81.07066	2.1
83.08575	0.6
85.02860	1.1
85.19450	0.4
91.03913	0.6
91.05476	4.3
92.05006	5.3
93.05736	1.6
93.06985	1.4
94.06532	1.1
95.04900	0.6
95.08556	1.3
97.02888	0.9
101.02303	0.4
105.07016	1.1
106.06565	2.5
109.02856	0.6
116.35667	0.4
117.05753	2.3
117.06995	0.7
118.06538	22.0
119.07355	2.5
119.08566	0.7
120.08085	2.5
121.10076	0.4
130.06519	2.2
131.07269	0.5
132.08072	3.2
133.10040	0.5
134.09605	1.2
144.08069	1.2
145.10028	0.5
146.09593	1.4
150.09100	0.7
159.11783	0.5
162.09132	23.2
163.09924	5.9
164.10669	0.8
176.10655	2.2
202.15918	5.3
204.13809	0.5
218.15376	0.9
230.15388	40.0
231.15782	0.8
246.18622	0.8
248.16267	2.2
262.18002	1.9
267.15845	0.6
274.17883	1.1
292.19052	94.0
293.19257	2.1
304.19113	3.0
318.20786	0.4
322.20190	0.9
332.22064	1.0
341.66095	0.5
348.21661	3.2
350.59830	0.5
452.83966	0.4
510.27029	8.7
623.53558	0.5
626.44135	4.2
788.49341	100.0
789.49609	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	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	21.6
55.05512	42.0
57.03434	22.8
57.07078	5.6
58.35649	3.0
61.02926	17.5
65.03927	4.6
67.05502	100.0
69.03426	18.3
69.07065	42.0
71.01372	4.2
71.04986	10.7
71.08651	3.8
71.57188	4.9
71.57603	4.8
73.02920	7.4
79.05489	77.6
80.05832	4.8
81.03414	46.1
81.07050	92.3
83.04968	13.9
83.08589	17.2
85.02895	21.4
85.06584	4.9
91.03954	7.6
91.05476	77.3
92.05785	3.6
93.07037	77.3
95.04967	21.8
95.08602	60.3
97.02886	27.8
97.06519	21.5
97.10188	11.8
99.04440	3.9
99.08067	4.6
105.07023	70.3
107.04955	9.0
107.08595	53.2
108.50802	3.3
109.02879	7.8
109.06515	9.7
109.10144	34.2
111.08107	5.0
115.05437	5.9
117.07011	33.5
118.06567	4.7
119.08578	51.3
121.06509	7.9
121.10128	32.8
122.18835	2.9
123.08044	8.7
123.11701	9.4
125.09652	12.6
127.03932	9.4
128.06241	9.4
129.06987	22.9
131.08577	45.4
133.10129	41.4
135.08061	11.3
135.11679	21.6
137.09665	8.1
141.07019	11.7
142.07768	6.7
143.08560	28.2
144.09451	4.2
145.06473	6.0
145.10120	40.9
147.08069	6.8
147.11667	29.9
149.09700	6.9
149.13242	11.1
151.07501	3.4
153.06923	3.3
154.07587	3.5
155.08519	19.7
155.34326	3.2
156.09259	3.7
157.06517	3.5
157.10092	26.6
159.08055	6.5
159.11679	26.8
161.09581	7.7
161.13229	15.3
162.09123	3.0
163.11172	10.1
166.07875	4.2
167.08588	11.4
169.10094	23.5
171.11700	23.8
173.04509	16.5
173.09715	5.1
173.11838	4.2
173.13249	16.9
175.11180	4.0
175.14845	7.8
177.12807	3.7
179.08546	3.5
181.10107	14.3
183.11655	19.4
185.09532	4.0
185.13191	17.1
187.11159	4.3
187.14838	8.7
193.10124	5.8
195.11684	13.2
195.13351	3.3
197.13316	13.3
199.14830	9.0
201.16458	5.0
207.11752	7.1
209.13307	10.9
211.14835	9.3
213.16426	6.6
215.14412	3.7
215.18039	4.2
219.11743	4.3
221.13358	8.0
223.14748	6.0
227.12723	7.2
227.17975	4.0
229.14316	3.8
229.19598	3.3
230.15283	4.3
235.14932	4.0
237.16429	4.1
239.17912	7.8
241.19545	5.5
243.21158	5.1
247.20468	5.2
257.19025	5.7
259.20581	11.6
273.18607	9.6
275.20132	22.1
288.53500	3.4
291.19543	3.8
292.19159	12.1
326.50644	3.5
333.24106	9.1
335.25824	8.8
337.16824	3.8
347.22333	5.4
349.23801	5.7
357.24100	3.3
365.24127	3.4
365.28726	5.5
385.23550	3.3
513.35828	25.8
515.38147	4.7
525.72052	3.4
527.37067	7.1
533.40356	6.0
607.43390	45.2
625.44586	88.9
689.41937	5.4
715.44904	3.5
757.26996	4.5
769.48053	4.9
787.49622	19.7
788.49384	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	24.6
55.05307	3.2
55.05513	34.0
55.84431	2.9
56.42905	2.9
57.03447	17.0
57.07067	6.0
59.74524	2.7
61.02913	10.2
65.03930	8.9
67.05508	82.5
69.03432	24.2
69.07066	44.9
70.83426	6.9
70.83798	5.1
71.04983	6.6
73.02890	4.0
79.05494	79.4
81.03423	52.1
81.07055	100.0
83.04975	16.2
83.08651	15.5
85.02901	23.5
90.78836	3.0
91.03941	5.7
91.05484	97.4
93.06477	5.6
93.07047	82.7
95.01362	4.2
95.04967	23.2
95.08609	58.6
97.02901	22.7
97.06528	33.2
97.10166	8.1
99.04447	5.9
99.08094	4.5
105.07033	89.3
107.04958	15.4
107.08588	45.1
109.02849	8.4
109.06535	18.1
109.10147	32.4
111.04445	3.9
111.08035	6.7
115.05446	6.7
117.07037	27.1
119.08580	56.0
121.06470	8.1
121.10147	33.5
123.08051	10.5
123.11696	8.7
125.09684	4.9
127.03902	10.5
128.06177	7.5
129.07016	20.3
130.07751	3.9
131.08562	44.4
133.06534	4.2
133.10120	46.1
135.08037	10.6
135.11649	16.6
137.09624	6.9
141.07022	9.2
142.07787	4.7
143.08562	21.3
145.10136	35.7
147.08026	9.5
147.11690	33.8
149.09605	9.7
149.13232	8.6
151.11177	8.5
155.08519	10.8
157.10120	24.4
159.08124	5.6
159.11710	25.5
161.09618	9.9
161.13235	18.4
163.11153	11.1
163.14851	4.8
165.12762	3.0
167.08592	4.3
169.10106	14.6
171.11676	20.9
173.04442	12.3
173.09604	4.3
173.13310	19.4
175.11171	7.1
175.14854	9.8
177.12692	6.6
179.08589	5.8
179.14311	4.7
181.10175	4.4
183.11702	10.9
185.13242	12.4
185.79674	3.1
187.11116	4.6
187.14806	6.9
195.11575	4.4
197.13263	12.3
199.11263	4.9
199.14873	4.7
201.16306	5.0
203.07390	3.4
205.16040	3.3
207.11664	4.2
209.13223	5.3
211.14854	6.2
213.12709	4.1
215.07646	3.1
219.17226	3.4
221.13295	4.4
223.14832	3.2
225.16293	5.4
227.17851	3.5
237.16383	3.7
239.18022	4.5
241.19553	8.8
245.18951	4.1
251.18074	3.7
257.19016	8.4
259.20435	10.6
261.22198	5.5
267.15912	7.3
273.18448	12.2
275.20093	41.6
291.19583	5.7
309.22162	3.2
315.23184	4.0
333.24252	16.4
335.25879	19.3
347.22174	8.7
349.23880	20.0
440.55792	3.3
463.39923	3.3
513.35529	7.3
527.37170	12.5
533.39514	6.6
607.43555	38.8
625.44440	51.6
649.43219	3.8
671.41711	4.3
689.42529	4.5
769.48267	6.6
787.48621	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.3
55.05264	2.9
55.05510	42.9
57.03438	14.1
57.07068	3.5
61.02911	8.3
65.03936	7.6
66.50375	1.7
67.05504	78.2
68.05836	2.1
69.03420	7.4
69.07071	22.6
69.34299	18.9
71.04984	6.8
73.02899	2.0
79.05489	67.4
81.03401	7.1
81.07056	86.5
83.04984	4.9
83.08617	15.7
85.02901	8.7
85.06511	4.3
91.03931	2.5
91.05481	96.5
93.07043	67.1
95.04968	19.4
95.08603	56.5
97.02879	6.1
97.06542	9.6
97.10159	10.1
97.63654	1.7
103.05441	2.7
103.46019	2.0
105.03423	1.8
105.07032	77.2
107.04929	5.7
107.08585	29.8
109.06500	12.7
109.10155	17.8
111.08057	5.6
115.05435	10.1
116.06226	7.0
117.07021	50.5
119.04958	2.3
119.08582	38.0
121.06500	7.8
121.10137	18.9
123.08059	11.9
123.11707	5.2
125.09660	6.4
128.06209	27.1
129.07005	33.2
130.07808	11.6
131.04811	2.0
131.08563	93.8
133.06471	11.1
133.10130	25.3
135.08025	7.2
135.11728	9.3
137.09612	3.9
139.11165	2.3
141.06978	11.0
142.07805	8.8
143.08563	90.0
144.09294	2.9
145.06509	4.3
145.10121	100.0
147.08083	13.8
147.11649	13.7
149.09601	6.5
149.13255	5.1
151.11191	2.9
154.07758	4.1
155.08565	12.3
157.10139	28.3
159.08073	4.0
159.11699	20.7
161.09634	12.3
161.13248	6.6
163.11177	8.0
165.07010	4.5
166.07826	2.7
167.08554	5.8
169.10112	19.7
171.08034	4.3
171.11681	21.0
173.09622	5.4
173.13268	6.2
175.11180	11.6
177.09059	2.1
177.12759	6.7
179.14268	2.1
180.09447	2.2
181.10182	11.3
183.11717	13.5
185.09546	3.0
185.13261	6.8
187.11206	3.0
189.12680	3.5
195.11702	23.9
197.13351	3.6
199.11230	2.6
199.17987	1.7
201.12767	2.9
203.10674	1.7
209.13304	4.0
213.12744	3.7
213.16367	2.1
219.13838	1.8
227.17903	8.3
237.16412	22.7
241.14240	1.9
245.19003	6.9
246.63208	1.9
255.17436	23.0
257.18985	2.9
261.22180	5.5
273.18491	85.7
274.18829	2.1
291.19586	5.0
329.21130	5.9
335.25787	84.7
336.26178	2.5
347.22159	40.1
388.35910	1.8
607.34180	2.9
607.43494	47.0
608.43555	2.7
625.44153	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.6
55.05509	30.0
57.03435	10.9
57.07061	4.2
61.02925	14.9
65.03949	4.9
67.05503	69.2
69.03434	11.9
69.07066	26.2
69.94071	11.1
71.01353	2.1
71.04977	6.9
73.02916	6.4
75.02383	1.9
76.17480	2.1
79.05489	55.4
79.85431	1.8
81.03424	16.5
81.07053	62.6
83.04978	5.3
83.08625	16.5
85.02908	16.4
88.33321	2.0
91.03962	8.4
91.05470	44.3
93.07040	45.9
95.04984	14.5
95.08604	41.4
97.02879	15.5
97.06541	16.8
97.10178	12.8
99.04453	4.1
99.08103	3.5
101.02372	2.5
103.05462	2.1
105.07029	44.4
107.04959	8.8
107.08587	33.4
109.02879	4.0
109.06522	9.7
109.10139	23.8
111.08083	6.7
115.05442	3.1
116.06213	2.4
117.07013	19.8
119.08578	35.6
121.06523	3.4
121.10126	17.4
123.08092	6.2
123.11703	8.2
125.09624	14.9
127.03912	4.6
128.06229	6.3
129.07019	17.4
131.08562	33.1
133.10129	32.0
135.08086	4.8
135.11708	11.6
137.09612	5.9
141.07033	9.4
142.07773	4.7
143.08565	20.6
144.09277	2.2
145.06410	2.3
145.10130	27.5
145.98450	2.0
147.08038	4.9
147.11678	17.3
149.09621	8.7
149.13240	5.5
151.11246	3.1
153.06921	2.4
154.07753	3.4
155.08556	13.8
157.10098	20.9
159.08020	3.8
159.11670	16.4
161.09628	3.5
161.13274	8.1
163.11156	3.4
165.06972	3.7
167.08607	8.1
169.10107	19.3
171.11671	16.8
173.09677	2.7
173.11870	4.4
173.13210	13.0
175.14867	2.4
175.53371	2.1
177.12762	2.8
179.08534	3.6
181.10129	8.5
182.10986	3.3
183.11679	16.0
185.13274	13.7
187.11229	2.7
187.14842	5.9
189.11205	5.2
193.10139	2.7
195.11674	13.1
195.13338	2.5
197.13318	13.4
199.11145	3.5
199.14864	6.1
201.16389	4.6
207.11665	3.0
209.13290	6.3
211.14830	9.6
213.12828	2.2
213.16383	5.4
215.18007	2.7
219.11682	2.5
221.13249	4.0
223.14899	3.5
225.10301	2.4
225.16418	4.4
227.12813	8.1
227.20105	2.3
229.14371	3.3
233.13287	2.5
235.14806	3.1
237.16479	3.8
239.17990	4.4
241.19553	4.7
246.13766	2.1
251.17830	2.7
257.18942	4.0
259.20590	8.6
263.18005	2.7
264.08151	2.5
273.18613	8.1
275.20303	12.3
291.19440	3.9
293.21194	2.5
311.23630	2.9
313.21979	2.4
315.23111	2.3
333.24347	8.0
335.25864	8.1
339.23108	2.3
347.22171	3.5
349.24115	4.7
351.23215	2.5
365.28482	3.6
401.26993	2.1
421.30927	5.9
439.32010	2.5
443.49734	2.3
495.34927	3.4
513.35620	26.8
515.38550	6.6
527.37317	2.7
529.39679	2.4
533.39813	8.2
551.40784	3.2
555.37054	3.3
607.43390	38.2
625.44635	100.0
626.44226	3.5
722.78528	2.3
769.48187	6.5
787.49908	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.0
55.05511	34.3
57.03436	12.0
57.07071	3.6
61.02923	13.1
65.03927	5.6
65.04253	1.7
67.05503	83.9
69.03424	7.0
69.07070	26.2
69.31021	4.3
69.31435	15.2
71.01372	2.1
71.04995	3.9
73.02916	4.3
77.03950	3.0
79.05008	2.0
79.05492	78.7
81.03419	7.1
81.07058	88.7
83.04983	8.0
83.08626	15.7
85.02908	9.2
85.06541	3.7
91.03976	6.1
91.05483	83.7
93.07044	73.2
95.04969	18.2
95.08604	56.9
97.02897	7.6
97.06525	9.2
97.10173	4.5
99.04501	2.0
102.60258	1.9
103.05441	4.1
105.04512	2.8
105.07030	69.4
107.04979	6.4
107.08596	36.8
107.09286	2.4
108.01923	2.2
109.06514	10.9
109.10158	19.0
111.08092	5.6
115.05439	9.1
116.06233	4.7
117.07013	57.4
119.08580	49.4
121.06508	5.9
121.10156	25.3
123.08063	7.6
123.11729	4.0
125.09605	3.2
128.06236	15.9
129.06998	33.5
130.07785	6.8
131.05043	1.9
131.08571	49.9
133.06474	14.3
133.10133	26.6
135.08061	10.7
135.11688	12.2
137.09645	3.7
139.11279	2.2
141.07018	8.6
142.07796	8.4
143.08566	36.8
144.09291	2.7
145.06477	5.2
145.10124	65.0
146.07303	1.9
147.08038	11.1
147.11687	13.6
149.09615	8.8
149.13243	6.6
153.07007	2.0
155.08551	10.7
156.09372	3.2
157.06470	2.1
157.10129	32.7
159.08092	4.8
159.11708	26.6
161.09644	19.4
161.13249	5.5
163.11179	14.6
165.07117	2.8
167.08568	5.3
169.10129	14.2
171.11694	23.2
173.09715	5.3
173.13232	11.3
175.11186	13.4
177.12814	4.1
180.09279	2.5
181.10170	8.8
182.33612	2.0
183.11719	8.2
185.09567	3.7
185.13251	7.7
187.11203	5.1
187.14856	2.4
189.12781	5.3
191.10764	2.3
193.12297	2.3
195.11708	8.4
197.13283	2.7
199.11249	3.9
199.14948	3.8
203.14441	2.4
208.12465	2.8
209.13297	3.6
211.14951	2.2
213.12833	3.0
213.16324	1.8
215.14371	4.4
217.04984	1.8
217.12257	2.5
217.15854	2.9
227.18007	11.3
237.16354	14.1
245.19017	10.7
255.17467	24.1
261.22281	3.6
271.11356	1.9
273.18481	97.1
274.19128	4.0
275.20096	2.0
291.19617	5.7
316.73825	2.0
317.24548	2.3
329.21185	4.3
335.25809	100.0
336.16946	1.8
336.26181	2.8
347.22177	46.0
348.22586	2.6
351.19373	2.5
392.88461	1.7
401.81595	1.9
451.93619	1.8
480.71365	2.2
512.61523	1.9
607.43457	35.3
625.44788	14.1
626.44617	2.2
713.49512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	30.3
55.05514	34.2
57.03439	19.0
57.39401	3.2
61.02922	10.2
63.02592	3.5
65.03940	5.9
67.05173	6.1
67.05505	75.5
69.03421	11.8
69.07062	48.3
71.04965	5.0
73.02922	3.6
74.79512	3.4
79.05495	71.7
81.03411	17.9
81.06581	5.4
81.07055	84.7
83.04976	12.1
83.08617	16.2
85.02890	11.4
90.01882	3.5
91.05482	87.6
93.07047	68.7
95.04964	23.5
95.08601	50.3
97.02882	9.5
97.06530	51.5
97.10174	9.5
97.91521	3.1
99.08118	9.1
103.05477	4.0
105.07034	100.0
107.04967	18.5
107.08594	39.3
108.53792	4.1
109.06515	11.3
109.10146	18.1
111.08092	7.3
115.05466	4.6
117.07029	25.6
119.08587	52.4
121.06493	12.7
121.10152	25.2
123.04359	4.1
123.08072	7.6
123.11689	9.0
125.09598	4.0
127.03891	4.8
128.06197	3.4
129.07004	18.4
131.08556	38.6
133.06459	3.8
133.10130	48.6
135.08061	10.3
135.11690	13.1
137.09573	4.6
143.08543	11.1
144.76262	3.5
145.06552	4.4
145.10153	33.1
147.11664	28.4
149.09654	9.3
149.13200	10.5
155.08533	10.7
157.10132	15.6
159.08153	4.2
159.11693	22.0
161.09616	8.9
161.13252	15.3
163.11153	7.6
167.08516	3.8
169.10100	8.6
171.11691	13.6
173.13252	13.3
175.11166	5.0
175.14798	8.1
177.12680	4.4
179.14259	14.8
183.11707	9.8
185.13286	8.4
187.11174	4.0
195.11694	5.9
197.13295	7.6
211.14810	4.5
213.16306	3.6
241.19467	10.1
257.19040	8.3
259.20563	22.1
273.18365	18.4
275.20053	60.0
291.19434	6.7
293.21057	3.5
312.22028	3.9
315.23236	6.5
333.24414	27.6
335.25827	24.2
347.22443	8.7
349.23798	31.1
437.34076	4.8
511.37906	5.7
513.35565	5.3
533.39801	4.3
551.40619	5.8
607.43762	52.1
625.44476	39.9
677.10815	4.2
717.64746	3.8
787.49084	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	787.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.0
55.05510	27.0
57.03415	9.7
57.07051	4.6
61.02916	11.2
65.03955	4.7
67.05500	58.5
69.03422	12.7
69.07051	19.5
71.04992	4.6
71.57689	6.5
71.66908	4.3
72.31123	3.9
79.05489	50.6
81.03418	14.6
81.07062	63.8
83.04977	6.3
83.08638	6.3
85.02895	14.8
85.06522	5.1
91.05483	52.2
93.07035	44.9
95.04946	9.7
95.08614	38.7
97.02887	7.7
97.06511	8.1
97.10172	7.0
102.34901	4.1
105.07030	54.2
107.04924	6.9
107.08597	33.2
109.06500	9.4
109.10133	16.5
117.07035	19.9
119.08584	31.9
121.06493	4.3
121.10140	17.3
123.08050	5.3
123.11691	4.7
129.07008	21.7
131.08569	28.6
133.10138	23.5
135.11649	12.4
141.07001	5.9
143.08553	15.3
145.10083	26.6
147.11703	12.1
149.13179	4.4
151.11278	7.4
155.08539	10.4
157.10132	12.3
159.11685	16.2
161.09595	6.8
163.11159	5.5
167.08575	5.9
169.10103	8.5
171.11696	12.9
173.13257	7.3
177.91254	4.5
181.10059	7.2
183.11711	13.1
185.13200	11.1
195.11685	7.2
197.13261	10.9
199.14851	5.1
259.20264	6.5
275.20010	12.8
349.23956	8.0
353.24628	6.4
371.25891	9.8
389.26895	9.1
445.29517	100.0
463.30646	23.9
513.35596	7.4
525.20575	5.0
543.17712	5.0
607.43481	17.1
625.44403	35.0
787.49762	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	787.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.5
57.03431	4.3
67.05499	32.2
69.03421	8.1
69.07064	10.4
69.99167	13.7
69.99583	6.9
70.06582	4.7
71.05026	4.6
79.05493	21.1
81.07037	30.8
83.04935	6.1
83.08602	8.7
86.09689	5.6
91.05475	37.5
93.07032	23.7
95.04973	8.5
95.08595	21.1
97.02870	7.6
97.06522	3.6
105.07018	32.3
107.08591	14.3
109.10160	8.4
117.07001	15.3
119.08582	20.9
121.10137	11.8
129.07001	13.5
131.08566	28.6
133.10101	17.0
141.06950	4.5
143.08569	9.2
145.10124	15.9
147.07965	4.7
147.11664	6.3
157.10106	9.4
159.11688	10.7
169.10158	5.4
171.11693	5.9
173.13213	7.5
185.13329	4.4
199.14764	3.7
211.14998	5.1
212.17946	4.5
275.39288	3.7
275.90134	5.0
331.06314	8.9
331.45053	3.6
332.73077	3.9
335.23712	4.5
343.26379	5.3
348.44312	3.6
353.24796	12.9
371.25897	9.7
389.26910	14.3
445.29456	100.0
446.30109	6.5
463.30646	60.6
787.41473	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	787.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05495	0.8
57.03438	3.2
61.02905	1.4
63.96955	0.3
65.03592	0.3
65.03934	0.5
67.05485	0.3
68.13607	0.3
68.99782	0.6
69.03432	1.9
71.04985	16.6
71.56783	0.4
73.02926	1.7
73.03267	0.4
75.04466	1.3
81.03422	0.8
83.04975	4.7
83.71334	0.3
85.02896	22.6
87.04422	0.4
89.03899	1.5
91.03956	0.5
91.05460	0.6
91.92469	0.3
95.04932	1.0
97.02876	1.9
99.04432	1.2
109.02865	1.3
111.00792	1.0
111.04419	3.4
113.06039	0.4
117.03370	3.7
117.05486	0.8
119.04939	1.4
121.02868	1.1
121.06486	0.5
127.03897	1.1
129.05470	7.0
137.02327	0.8
139.03888	2.0
145.02824	8.1
145.04892	0.9
147.04399	5.5
147.06540	2.3
149.05946	1.5
153.01813	6.2
153.05469	1.5
157.04958	0.5
159.06575	0.5
161.05972	0.4
163.03883	0.6
163.06023	0.8
163.52599	0.3
165.01819	2.0
165.05501	0.4
166.02538	0.7
167.03349	2.4
167.07042	0.6
171.06534	0.6
177.05453	12.9
178.05730	0.5
179.03336	0.8
183.02959	0.8
189.05405	0.4
193.04977	0.5
195.06445	0.7
201.07541	0.5
203.06950	0.4
208.03633	0.7
213.05440	0.5
216.04062	0.6
217.04964	2.2
219.02852	2.6
223.51918	0.3
233.04420	0.8
234.05254	0.5
239.09174	1.5
241.04973	0.7
244.03693	1.5
245.04456	4.4
245.39934	0.3
248.61426	0.4
255.08626	0.5
257.04388	0.4
258.05222	0.4
259.05988	0.8
272.03027	0.4
273.03918	3.2
275.11261	0.5
277.07147	0.8
285.03830	0.4
287.05472	31.3
288.05768	1.0
289.03418	1.7
290.04196	1.5
301.03384	5.2
302.04059	1.0
303.04935	0.7
304.05734	0.4
315.05075	0.8
317.06509	7.8
318.03665	9.1
318.07211	0.6
319.03799	0.4
330.03299	0.4
331.04410	0.6
333.06012	100.0
334.06357	3.3
345.06052	1.4
357.05890	1.2
371.07458	0.6
375.07150	3.1
399.07318	2.0
443.09689	0.7
449.10519	1.6
461.10406	0.6
471.89572	0.4
477.10062	0.7
479.11871	2.3
495.11533	2.2
623.16577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2299
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.4
55.05500	0.6
57.03433	3.2
59.68895	0.3
61.02926	2.7
63.02381	0.3
65.03908	0.3
67.05486	0.3
68.99794	0.3
69.03430	1.7
69.46014	0.7
69.46413	2.4
70.06592	0.3
71.01342	0.7
71.04992	18.0
71.62740	0.3
73.02902	1.2
75.04467	1.8
81.03412	1.1
83.04977	4.4
85.02900	28.4
87.04465	0.9
89.03902	1.2
91.03963	1.4
91.05475	1.2
92.02615	0.8
93.03403	1.0
95.04944	0.7
97.02892	4.3
99.04414	0.5
104.38116	0.3
109.02821	1.6
111.04462	2.4
115.05473	0.3
117.03390	2.6
119.04936	2.2
121.02863	1.2
124.29671	0.3
127.03927	2.2
129.05476	8.3
135.04453	0.5
137.02303	0.7
139.03905	1.0
145.02840	7.5
145.04893	1.4
147.04420	5.5
147.06500	3.6
148.04665	0.3
149.02357	0.3
149.05995	1.0
151.03899	1.3
153.01817	7.1
163.03909	0.4
163.06036	1.1
165.01822	1.3
177.05464	12.3
183.02986	0.3
186.05473	0.4
195.06543	0.5
201.05482	1.0
203.03432	0.4
207.65775	0.3
213.05431	0.4
217.04877	0.8
218.05724	0.4
219.02907	1.3
228.04152	0.9
229.04970	2.6
231.02779	0.4
233.04552	0.4
234.05299	0.4
244.03539	0.3
245.04497	1.1
246.05316	1.7
254.65048	0.3
255.08638	0.6
257.04477	2.7
258.05066	0.4
260.03311	0.4
273.03867	1.5
274.04678	4.0
285.03897	4.5
287.05484	28.2
288.05981	0.8
289.03568	0.4
290.04272	0.5
301.03464	0.7
302.04218	10.9
303.04831	1.5
317.06543	100.0
318.03668	5.9
318.06946	2.5
329.06577	0.9
333.06030	19.2
345.05872	0.5
359.07581	1.4
375.07187	0.6
383.07706	0.9
399.07086	0.4
443.09497	0.3
449.10748	1.6
461.10556	0.6
465.08853	0.3
479.11832	2.1
495.11206	0.6
787.28546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
57.03433	1.5
61.02925	1.7
66.81862	0.2
68.99786	0.2
69.03413	0.5
70.06571	0.2
70.54925	0.6
71.01333	0.2
71.04989	8.6
73.02901	0.8
75.04448	0.6
81.76983	0.1
83.04964	0.5
85.02901	10.6
87.04478	0.3
91.03958	1.0
91.05470	0.3
91.97028	0.1
92.02616	0.5
93.03383	0.4
97.02895	1.4
98.55022	0.2
99.04487	0.3
109.02847	0.3
111.00812	0.2
111.04424	0.3
117.03372	0.2
119.04918	0.5
121.02863	0.6
122.03714	0.2
123.04422	0.2
123.13524	0.1
125.02477	0.1
126.03129	0.3
127.03885	0.6
127.79823	0.2
129.05475	2.4
137.02336	0.3
139.03909	0.8
145.02840	0.6
145.04948	0.3
147.04387	1.2
147.06546	0.8
151.03909	0.8
153.01813	4.7
161.16779	0.2
165.01826	0.5
174.37405	0.2
177.05460	0.8
183.02914	0.3
201.05473	0.4
203.03333	0.2
217.04935	0.3
218.05780	0.4
219.02919	0.2
228.04210	0.8
229.04919	2.1
245.04510	0.6
246.05193	1.2
257.04431	2.0
260.03098	0.2
273.03879	1.1
274.04712	3.4
284.03140	0.2
285.03888	3.9
286.04626	0.3
287.05478	1.3
288.06268	0.2
302.04193	12.5
303.04779	0.6
303.59225	0.2
317.06531	100.0
318.06894	2.9
333.06088	0.9
349.74197	0.2
359.07733	0.5
413.09326	0.2
461.11044	0.2
463.12070	0.3
479.11823	18.9
480.12222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2274
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05482	0.2
55.48864	0.2
57.03430	1.6
61.02918	1.4
69.03381	0.5
69.92639	0.9
70.78979	0.1
71.04988	8.2
73.02867	0.5
75.04435	0.7
81.03350	0.3
83.04927	0.7
85.02896	11.9
87.04446	0.3
91.03930	0.8
92.02563	0.4
93.03360	0.6
97.02352	0.1
97.02870	1.2
109.02858	0.2
111.00748	0.2
111.04393	0.3
121.02837	0.8
126.03038	0.2
127.03866	0.5
127.49129	0.1
129.05473	2.7
137.02249	0.2
138.42755	0.1
139.03886	0.7
145.04881	0.5
147.06479	1.0
151.03917	0.9
153.00571	0.2
153.01799	4.4
163.03882	0.1
165.01797	0.5
177.05534	0.2
182.84230	0.2
201.05460	0.3
203.03366	0.2
217.04938	0.4
218.05721	0.3
228.04146	0.6
229.04945	2.2
231.02774	0.4
245.04436	0.5
246.05241	1.4
255.62065	0.2
256.03696	0.2
257.04364	2.2
260.03156	0.4
261.07452	0.2
271.05988	0.2
273.03928	1.2
274.04688	3.6
284.03091	0.4
285.03897	3.6
286.04553	0.2
302.04181	10.9
303.04453	0.3
317.06522	100.0
318.06866	3.4
329.06497	0.3
359.07568	0.7
374.06375	0.2
383.07568	0.2
479.11819	19.7
480.12100	1.1
750.30847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05494	0.3
57.03433	2.1
61.02911	0.5
63.02375	0.2
65.03929	0.2
67.05499	0.2
68.99474	0.2
68.99792	0.7
69.03426	0.8
69.87067	1.0
70.06583	1.0
70.33913	0.2
71.01363	0.2
71.04988	10.9
72.08120	0.2
73.02892	0.2
75.04472	0.4
75.45744	0.2
78.04695	0.3
81.03407	1.3
83.04996	0.9
85.02900	19.1
87.04452	0.1
89.03403	0.3
89.03912	3.2
91.05466	0.6
93.03391	0.3
93.07034	0.2
95.04952	0.5
97.02885	3.0
97.06545	0.2
98.21409	0.2
99.04423	0.3
103.05463	0.2
105.07027	0.4
107.04948	0.3
108.69459	0.1
109.02873	1.8
109.06499	0.2
111.00782	0.8
111.04436	0.6
117.03371	7.7
117.05492	0.5
119.04958	0.3
121.02837	1.1
121.06487	0.4
123.04417	0.2
127.03916	1.8
129.05479	2.6
131.04959	0.2
133.06342	0.2
134.03629	0.4
135.04408	1.0
137.02330	2.8
137.05960	0.9
145.02835	20.3
145.04921	1.0
145.10112	0.5
146.03244	0.2
147.04440	0.4
147.06516	0.7
147.11676	0.2
149.02309	0.4
149.05975	3.1
153.01804	3.7
159.11703	0.2
161.05971	0.4
163.03909	0.8
163.11180	0.4
165.01825	1.7
166.02629	0.3
173.06023	0.4
175.07384	0.2
177.05460	43.1
178.05830	0.5
179.07036	0.2
183.02882	0.9
183.04289	0.3
186.05479	0.6
187.03906	0.5
187.11075	0.2
191.07135	0.3
191.10677	0.2
193.04964	0.5
195.02953	0.2
195.06499	2.1
201.05492	1.5
205.04979	0.4
213.05496	0.3
219.06511	0.5
229.04944	4.2
247.06006	0.7
257.04404	3.2
274.04675	0.9
275.05328	0.2
285.03912	1.3
287.05484	2.9
290.11423	0.3
303.04965	100.0
304.05313	1.7
307.15134	0.3
308.15594	0.3
315.04898	0.6
317.06534	0.6
321.09491	0.3
339.10736	2.8
389.18497	0.2
397.16391	0.7
400.20654	0.3
449.10913	0.2
468.25165	0.2
485.16614	0.8
485.23233	0.2
575.26331	0.4
641.14697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
57.03431	1.4
62.79025	0.2
63.02348	0.3
68.99789	0.8
69.03404	0.4
70.02419	1.4
70.06553	0.3
71.01325	0.3
71.04991	8.4
75.04453	0.4
79.05472	0.4
81.03398	0.9
81.07059	0.4
83.04974	0.7
85.02899	10.8
86.09711	0.3
89.03915	4.3
91.05473	0.5
92.19607	0.3
93.03397	0.5
95.04942	0.5
97.02867	0.6
107.04890	0.3
109.02833	0.7
111.00784	0.8
111.04405	0.6
117.03373	10.7
119.04913	0.3
121.02862	1.2
123.04430	0.5
127.03889	0.9
129.05492	2.4
131.04872	0.3
134.03633	0.8
135.04425	1.9
137.02333	3.0
137.05948	0.7
139.03828	0.3
145.02834	28.9
146.10150	0.2
147.04434	0.4
149.02309	0.5
149.05977	4.1
151.03894	1.3
153.01817	4.6
155.04935	0.3
161.05890	0.5
163.03897	4.7
163.07510	0.3
165.01822	2.0
166.02628	0.3
173.05966	0.6
177.05461	51.7
178.05740	0.6
181.04906	0.3
183.02834	1.1
185.06017	0.3
186.05502	1.1
187.03896	0.3
195.06505	1.8
201.05476	2.3
205.04832	0.4
209.28610	0.2
215.03157	0.3
216.15764	0.2
219.06651	0.4
219.10194	0.2
222.38904	0.2
228.04037	0.3
229.04951	4.8
231.06538	0.3
233.08179	0.3
233.26596	0.3
245.04570	0.3
247.05925	1.0
257.04398	3.1
261.07477	0.7
273.03876	0.3
274.04715	1.2
285.03983	2.3
287.05463	3.2
302.04132	0.9
303.04971	100.0
304.05328	1.6
317.06549	7.8
321.09631	1.6
339.10727	2.7
368.86145	0.3
623.13538	0.4
644.09943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.4
64.80244	0.1
65.03911	0.3
68.99792	0.6
69.03421	0.7
70.06581	0.6
71.01363	0.2
71.04958	0.3
71.57123	0.2
72.18587	0.1
77.68015	0.1
78.04729	0.3
79.05475	0.3
81.03413	0.7
83.50428	0.2
84.04523	0.2
85.02905	2.9
89.03915	5.8
91.05481	1.8
95.04958	0.4
97.02879	1.7
105.03378	0.4
106.04164	0.2
107.04941	0.3
109.02879	0.7
111.00808	0.6
117.03380	13.4
119.04938	2.6
121.02862	2.5
121.06440	0.2
124.05202	0.2
127.03934	0.8
131.04897	0.2
133.02858	0.5
134.03638	1.2
135.04419	1.4
137.02333	0.8
137.05971	0.3
145.02841	27.8
146.03262	0.2
147.04404	8.4
149.05978	4.0
151.03836	0.3
153.01822	3.7
157.06496	0.5
158.05983	0.2
161.05975	0.2
162.03148	0.3
163.03938	0.5
163.11266	0.2
165.01808	1.2
171.04431	0.2
177.05463	42.1
178.05801	0.5
183.02888	0.6
185.05962	0.4
186.05544	0.9
189.05478	0.3
195.06514	0.9
197.05977	0.2
205.04936	0.2
207.06609	0.2
213.05504	1.0
229.04994	0.5
231.06496	1.0
233.08176	0.3
241.04947	0.8
246.05092	0.2
257.04465	0.3
258.05209	0.9
259.05997	0.5
259.09363	0.2
261.07635	0.6
269.04236	0.2
273.03940	0.2
274.04730	0.6
284.03363	0.2
285.03915	0.4
287.05481	100.0
288.05807	1.5
299.05502	0.2
302.04211	1.6
303.04932	0.4
303.08359	0.3
317.06552	12.8
318.06909	0.2
321.09601	0.9
329.06516	0.2
339.10724	0.9
434.58746	0.2
449.04474	0.3
449.10794	5.9
479.12158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2067
Annotation	Petunoside
Peak:m/z	Relative Intensity
55.01873	0.2
57.03416	0.5
61.02907	0.5
63.02365	0.3
65.03928	0.5
67.01878	0.1
68.99799	0.4
69.03426	1.2
69.68449	0.5
69.68884	0.6
70.06583	0.2
71.04977	0.5
75.49429	0.2
77.00713	0.2
78.04707	0.3
79.05474	0.3
81.03429	1.4
85.02898	11.6
89.03915	4.0
91.05472	4.2
91.06014	0.3
92.02630	0.3
93.03390	0.3
95.04974	0.3
96.36853	0.2
97.02885	5.7
99.04469	0.2
103.05496	0.2
105.03377	0.3
106.04142	0.3
107.04956	0.3
109.02873	1.6
111.00791	0.5
117.03373	11.5
119.04933	7.9
121.02860	2.6
124.48740	0.1
127.03915	1.7
130.55862	0.2
133.02823	0.2
134.03661	0.8
135.04390	1.3
137.02353	0.9
137.05988	0.3
139.03860	0.2
145.02837	25.4
145.04877	0.7
146.03188	0.3
147.04401	25.2
148.04808	0.1
149.05972	4.0
151.03905	0.5
153.01822	5.0
157.06482	0.2
158.05977	0.3
162.03075	0.2
163.03911	0.5
165.01836	1.6
165.05464	0.6
169.01340	0.3
177.05460	42.2
178.05804	0.3
183.02982	0.7
185.05943	0.3
186.05511	1.0
187.03941	0.2
195.06502	2.2
201.05536	0.2
203.03383	0.2
213.05492	1.0
217.04971	0.3
228.04141	0.4
229.04869	1.0
231.06529	0.6
240.97643	0.2
241.04942	0.8
245.04459	0.5
246.05235	0.6
257.04398	0.7
258.05292	1.0
259.06012	0.3
261.07608	0.3
269.04276	0.2
273.03888	0.6
274.04678	1.5
285.03854	1.5
287.05478	100.0
288.05844	1.0
299.05573	0.6
302.04172	4.0
303.04916	0.4
309.09674	0.5
317.06540	37.8
318.06848	0.6
321.09619	0.3
329.06482	0.5
333.06042	2.2
339.10779	1.6
353.06625	0.3
392.83249	0.2
395.07364	0.3
413.08560	0.2
425.08859	0.2
449.10757	6.7
450.11090	0.2
461.11069	0.1
479.11862	3.0
625.14551	0.2
747.23602	0.2
816.89392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.6
55.05512	36.7
56.95590	2.8
57.03432	12.8
57.07075	8.2
61.02927	16.2
62.28378	3.1
65.03945	4.6
67.05502	96.5
69.03425	27.7
69.07069	31.7
69.48449	7.5
69.48853	23.0
71.01344	4.0
71.04993	7.5
73.02910	10.1
79.05061	5.8
79.05492	78.9
81.03411	36.3
81.07057	97.4
83.04976	12.0
83.08618	18.9
85.02901	21.1
85.06566	3.5
91.03961	8.9
91.05475	82.7
93.07042	70.7
95.04980	20.3
95.08604	53.8
97.02889	26.3
97.06524	11.4
97.10178	8.3
99.04473	5.1
99.08093	7.5
103.05552	3.2
105.07025	76.5
107.04970	15.7
107.08595	45.4
107.69693	2.8
109.02876	9.0
109.06525	14.0
109.10150	25.1
111.04390	3.5
111.08076	3.4
115.05453	5.2
117.07027	40.7
119.08572	50.5
119.49675	3.1
121.05737	3.1
121.06527	12.4
121.10130	26.6
123.08068	6.7
123.11707	7.3
125.09628	4.1
127.03920	8.3
128.06250	6.4
129.05476	3.3
129.07001	27.7
131.08569	39.3
133.06500	10.4
133.10136	37.2
135.04463	2.9
135.08055	13.9
135.11702	16.9
137.09637	7.8
139.11186	3.5
141.07002	8.4
142.07780	8.5
143.08569	26.6
145.06506	9.3
145.10109	46.0
147.08064	9.6
147.11696	22.5
149.09647	11.5
149.13271	5.1
151.11081	4.3
153.06964	5.6
155.08551	17.3
157.10161	25.7
159.08051	8.8
159.11703	20.3
161.09639	9.0
161.13257	13.3
163.11182	10.5
165.08989	3.7
167.08524	9.0
169.10092	18.2
171.08148	3.4
171.11710	22.2
173.04485	8.7
173.09555	7.9
173.13171	7.7
175.11163	11.5
175.14713	4.8
177.12758	6.3
178.07875	3.2
179.08611	5.3
181.08485	2.9
181.10110	12.0
183.11685	12.9
185.09612	6.3
185.13254	10.9
187.11198	6.0
187.14915	4.9
189.12762	5.4
191.10814	4.1
193.10107	9.0
195.11690	12.4
197.13252	11.9
199.11243	3.8
199.14931	6.7
201.16487	3.3
203.14328	3.9
207.11703	8.4
209.13310	11.0
211.11090	4.6
211.14854	7.4
213.12794	4.3
213.16370	5.0
221.13229	8.5
223.14861	7.3
225.16255	6.2
227.17911	6.7
235.14760	4.7
237.16389	3.9
239.18002	6.4
241.19618	5.7
245.19061	6.6
249.16365	4.0
251.18024	5.3
255.17455	9.6
257.18997	14.1
259.20581	9.7
273.18469	39.2
273.21228	4.1
275.20081	34.9
299.20001	3.1
331.22888	4.8
333.24246	16.8
347.22037	14.8
349.23807	12.1
383.21805	4.5
392.22421	3.8
513.37244	4.7
530.32965	3.1
531.38037	12.9
549.39331	9.4
565.38757	6.6
587.41187	4.5
595.43872	3.6
604.42322	7.5
605.42255	67.7
623.43066	100.0
687.40808	4.2
713.44055	3.3
767.48004	5.0
785.48712	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	15.7
55.05505	66.6
57.03417	11.7
57.07061	6.1
61.02919	16.3
65.03918	6.1
67.05500	85.2
69.03422	20.9
69.07066	34.1
69.42204	28.7
71.04977	12.0
71.08630	3.5
73.02898	8.2
79.05487	74.0
81.03410	27.9
81.07051	63.6
83.04966	11.7
83.08610	25.9
85.02892	17.2
85.06487	5.5
88.91426	3.2
91.03941	5.7
91.05472	72.4
91.28580	3.1
92.26330	3.2
93.07035	56.2
95.04967	20.3
95.08590	46.0
97.02893	16.3
97.06537	7.8
97.10159	35.5
98.21485	4.4
99.08064	3.8
103.05453	4.4
105.07021	56.0
107.04929	10.9
107.08585	44.5
109.02858	5.0
109.06506	8.9
109.10150	27.7
111.08087	4.2
115.05464	7.1
117.07020	26.8
119.04877	3.8
119.08566	39.9
121.06512	6.5
121.10148	18.8
123.08041	5.6
123.11727	4.3
125.09633	33.1
127.03906	7.4
128.06207	12.1
129.07007	35.2
130.07759	4.6
131.08542	33.6
133.06453	7.3
133.10101	24.1
135.08028	9.4
135.11684	8.6
141.06975	14.2
142.07741	6.1
143.08530	32.9
144.09297	2.9
145.06474	9.9
145.10124	29.8
147.08044	5.3
147.11636	14.7
149.09679	4.6
149.13220	3.9
153.06946	7.4
154.07751	7.7
155.08536	24.1
156.09346	3.3
157.06532	4.0
157.10052	21.1
159.08054	8.6
159.11655	19.1
161.09610	6.8
161.13239	9.8
163.14844	3.7
165.06993	3.8
167.08525	11.4
168.09363	6.6
169.10117	29.9
171.07999	4.8
171.11647	22.8
173.04460	6.0
173.09578	7.4
173.11835	4.1
173.13260	11.8
175.11140	5.9
179.08536	9.7
181.10068	17.2
182.10893	4.7
183.11655	17.4
185.09560	4.1
185.13229	12.8
187.11195	6.5
187.14699	4.8
189.11218	16.6
189.12721	4.1
193.10097	5.5
195.08020	5.5
195.11703	14.4
197.09618	5.5
197.13264	20.1
199.11147	5.2
199.14771	8.9
201.12709	3.5
207.11682	11.0
209.13190	10.4
211.11266	5.5
211.13033	3.3
211.14812	9.4
213.16405	4.7
219.11563	4.6
221.13252	10.8
223.11179	4.3
223.14896	7.1
225.12852	5.0
225.16354	6.3
227.12762	13.4
233.13206	4.8
235.14880	7.1
237.16310	5.6
239.17947	7.6
241.15729	3.3
241.19653	4.2
247.14677	4.1
249.16458	3.4
251.17857	3.6
253.15822	3.4
257.19128	4.1
261.16428	3.9
271.17053	6.7
271.20493	5.7
273.18497	10.8
275.20062	7.8
291.19452	14.6
309.22131	5.3
333.24371	4.1
335.26056	4.3
347.23425	3.0
351.77393	3.4
379.30133	17.3
385.23682	3.6
399.72198	3.4
431.29037	3.5
513.37103	5.7
529.35443	5.1
531.38123	10.4
549.39313	4.7
553.34875	3.1
554.35858	6.8
605.42072	31.0
605.59393	3.4
623.42987	100.0
652.43726	3.1
767.46436	10.0
785.48090	28.6
795.46387	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	785.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.7
55.05506	12.8
57.03440	6.5
59.04979	1.0
61.02923	27.8
62.50713	0.9
65.03925	1.7
67.05504	29.7
69.03425	6.8
69.07062	10.2
70.18957	4.5
70.48074	0.8
71.01342	1.1
71.04973	3.7
72.01433	0.9
73.02911	7.5
79.05486	26.4
81.03400	3.8
81.06581	1.7
81.07051	29.2
83.04967	3.8
83.08611	7.8
85.02899	27.9
85.06496	1.2
91.03953	16.4
91.05473	34.9
93.07035	24.6
95.04969	5.4
95.08600	18.1
97.02884	19.6
97.06519	5.1
97.10139	2.7
99.04475	1.4
99.08084	1.1
103.05468	1.8
105.07023	26.2
107.04951	5.5
107.08573	12.7
109.02879	1.6
109.06503	5.2
109.10144	5.9
111.08064	2.6
115.03939	1.2
115.05437	3.6
117.06217	1.7
117.07013	24.6
119.04924	1.2
119.08567	14.5
121.06470	4.6
121.10134	9.3
123.08045	4.2
123.11703	0.9
125.05964	0.9
125.09569	1.2
127.03892	5.7
128.06219	5.9
129.06996	26.0
130.07744	1.7
131.05038	1.5
131.07578	1.8
131.08559	29.4
133.06516	5.5
133.10118	9.4
135.08020	5.4
135.11696	3.5
137.09608	1.7
139.11192	1.3
141.06992	12.2
142.07755	4.0
142.08794	0.9
143.08553	22.1
144.09340	1.8
145.04919	4.1
145.06517	7.1
145.10117	16.9
147.04424	1.1
147.08031	3.8
147.11670	5.8
149.09607	3.9
149.13177	1.0
151.11172	1.7
153.06982	2.1
154.07751	1.5
155.08543	18.9
156.09210	1.6
157.06487	2.7
157.10117	13.7
159.08081	5.1
159.11696	10.1
161.09596	3.1
161.13173	1.7
163.06004	3.3
163.11224	2.0
165.06976	2.3
165.12784	0.9
166.07797	1.1
167.08559	9.1
167.93982	1.0
169.10130	12.0
171.08032	3.9
171.11674	7.7
173.09569	2.5
173.13196	2.6
175.11188	3.4
177.12720	2.7
179.08546	4.0
180.09286	1.6
181.10088	10.1
182.10861	2.1
183.08051	2.3
183.11714	8.6
185.09673	1.9
185.13237	5.9
187.11150	2.1
189.12805	1.2
190.30205	0.9
192.09264	0.9
193.10109	4.7
195.08006	1.1
195.11757	9.8
195.13539	1.8
197.09599	2.4
197.13214	6.9
199.11171	2.0
199.14821	2.8
201.12747	2.6
203.14378	1.1
205.10176	2.0
205.12149	1.1
207.11678	2.7
209.13234	6.5
211.11147	2.3
211.14827	4.8
213.12698	4.0
213.16327	1.8
215.14285	3.6
219.11690	1.8
221.13307	7.4
223.14798	7.0
225.12648	2.5
225.16371	1.6
227.14365	1.3
229.12109	1.0
233.13232	1.8
235.14815	3.6
237.16385	2.3
239.14267	5.3
241.12161	1.2
241.16048	2.0
243.13680	1.0
243.17448	1.7
245.15390	1.8
249.16360	1.9
251.14256	1.1
253.15860	2.7
255.17490	0.9
257.15414	2.9
259.16956	1.4
271.16885	3.2
273.18567	1.1
275.16324	1.1
283.16922	1.3
303.19559	1.2
305.22641	1.8
315.21152	1.5
323.23706	4.3
333.22089	11.8
341.20822	1.0
341.24597	5.4
351.23166	32.8
352.23404	1.5
369.24203	28.2
370.24734	1.3
387.25293	17.7
388.25439	1.2
407.25504	1.4
425.26749	7.7
433.29544	1.2
443.27896	100.0
444.28012	3.3
461.28958	63.3
462.29123	3.4
485.28778	3.0
494.21722	0.9
503.29916	2.7
548.62640	0.9
551.29791	1.2
569.30798	1.7
572.80707	1.1
581.63995	1.1
587.32031	2.9
605.33295	1.4
623.33862	2.3
626.17053	0.9
710.05292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.1
57.03426	5.9
57.07054	3.9
61.02918	6.1
64.30614	1.6
67.05499	13.6
69.03430	6.6
69.07064	15.2
71.58178	2.3
73.02910	12.2
77.77380	1.4
78.71420	1.6
79.05483	9.2
81.03426	2.9
81.07058	34.8
82.07391	2.0
83.08617	6.1
85.02887	11.2
85.93538	1.5
91.03964	2.3
91.05496	7.5
93.07031	22.8
94.07386	1.6
95.01353	3.9
95.04945	1.9
95.08600	58.3
97.02883	18.8
97.10155	4.7
105.07033	15.0
107.08580	32.5
109.06432	2.3
109.10155	34.8
115.03925	10.0
117.07001	2.2
119.08572	27.1
121.10136	34.7
123.11685	20.2
131.08559	5.7
133.10112	20.6
135.11668	21.6
137.05969	2.4
137.13263	13.5
141.01843	13.4
145.10094	12.6
147.11671	13.8
149.12151	3.3
149.13245	24.4
149.14366	2.4
153.09140	1.7
157.10071	1.9
159.02908	4.0
159.11731	4.6
161.13232	12.5
163.14807	6.6
173.13300	4.5
175.14830	6.1
177.16380	7.5
179.17850	1.9
181.12392	1.7
187.14796	2.9
189.16374	33.2
191.17932	56.3
191.19589	3.2
193.19571	2.1
201.16356	42.0
203.17928	40.9
205.19518	37.7
207.17508	2.3
213.16362	1.8
215.17961	16.7
217.19438	11.0
221.15520	1.7
231.21080	3.4
233.15456	2.2
235.16994	6.2
241.19574	2.8
243.21065	4.9
245.22656	3.1
247.16910	27.7
249.18564	6.1
255.21063	2.4
257.22665	4.7
261.18536	12.9
289.21512	2.7
323.58371	1.7
393.35114	14.0
439.35678	100.0
440.36041	3.5
444.18915	2.1
450.31442	2.1
535.28436	2.1
536.29144	2.4
657.84363	2.0
721.76721	2.0
738.40930	2.8
764.43042	1.8
782.43793	52.9
783.43671	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	782.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.8
57.03428	5.6
57.07056	3.5
59.04989	2.3
60.83372	1.9
61.02911	6.3
67.05505	18.8
67.86458	2.3
69.03425	9.1
69.07066	22.7
70.48096	4.3
71.01360	2.3
71.08649	3.4
73.02912	24.3
79.05481	9.4
81.03428	2.3
81.07053	48.6
83.08605	9.9
85.02907	17.0
91.05476	10.0
93.07044	30.8
93.80276	1.8
95.01318	11.6
95.08606	84.6
96.36449	2.0
97.02885	23.6
97.10166	8.9
98.21416	2.2
103.03931	2.7
105.07040	22.0
107.08591	48.1
109.10153	48.6
111.11707	2.8
115.03912	9.1
117.07043	2.3
119.08580	38.2
121.10141	48.3
123.11706	24.7
127.03938	2.9
131.08553	8.7
133.04973	10.1
133.10124	26.6
135.11691	38.2
137.13269	20.5
141.01819	47.5
145.10138	17.1
147.11693	20.3
149.13251	33.6
150.07742	2.4
151.14824	3.9
153.09106	3.6
159.02863	6.3
159.11722	9.8
161.13234	11.7
163.14799	9.8
173.04555	2.1
173.13246	7.0
175.14799	13.4
177.16373	9.6
187.14812	7.3
189.16386	38.8
191.17943	63.4
199.14798	4.3
201.16385	56.7
202.16690	2.6
203.17953	60.2
205.19524	52.1
213.16438	2.8
215.17953	21.8
217.07065	2.7
217.19511	12.4
219.04880	2.5
229.19553	3.8
231.21085	3.2
235.16957	9.7
243.21037	3.6
245.22665	7.3
247.16975	31.7
249.18515	7.9
255.20984	3.0
257.22574	4.6
261.18384	13.7
273.06000	5.7
289.21588	3.7
301.21320	2.5
393.35114	17.4
411.36011	2.5
439.35709	100.0
440.35965	6.5
704.38586	2.5
782.43585	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4358
Annotation	Tragopogonoside A
Peak:m/z	Relative Intensity
55.05494	12.3
57.03422	11.9
57.07055	3.9
61.02903	3.6
67.05496	21.6
69.03428	19.0
69.07070	21.0
69.67272	20.0
71.01351	8.6
71.04984	14.4
73.02917	16.8
75.04460	6.1
79.05478	15.4
81.07058	46.5
81.64080	3.1
83.04977	29.0
83.08585	7.5
85.02900	70.8
87.28781	2.9
91.05476	20.2
93.07038	34.0
95.01324	35.8
95.04968	3.2
95.08602	79.4
97.02883	33.3
97.06538	4.4
97.10162	6.0
103.03951	3.5
105.07008	36.4
107.04948	4.0
107.08600	51.2
109.02839	3.2
109.06459	3.3
109.10152	49.5
111.04425	27.2
111.08089	25.6
113.02358	6.8
114.10585	2.5
115.03920	12.2
119.08580	49.9
119.99120	2.9
121.10122	40.9
123.11711	14.3
125.09663	3.0
129.05463	17.3
131.03380	3.6
131.08546	13.1
133.04970	6.0
133.10130	47.1
135.11687	33.2
137.13252	4.9
139.11163	6.4
140.90694	2.9
141.01813	100.0
143.08508	4.8
145.10120	24.6
147.06519	8.6
147.11685	33.1
149.12149	4.5
149.13246	34.4
157.10094	6.3
159.02881	15.0
159.11674	20.7
161.13266	36.1
163.14803	29.0
169.10229	3.2
171.11700	5.8
173.13297	19.9
175.14842	31.7
177.16371	31.3
178.99588	2.8
181.71036	2.9
184.07307	7.8
185.13184	4.5
187.14833	21.4
189.16383	56.8
191.17917	15.6
193.15903	5.0
195.17471	4.6
199.14850	7.0
201.16353	40.2
203.17949	68.4
205.15854	9.3
205.19525	6.6
207.17395	16.8
213.16333	8.3
215.17982	26.1
217.19470	13.1
219.17438	9.9
221.18982	8.2
225.16121	3.8
227.17932	5.5
229.19522	11.1
233.19086	6.4
235.16774	3.7
239.17799	3.3
241.19534	4.7
243.21021	4.0
247.16936	4.3
247.20586	5.1
249.18437	7.0
255.05000	4.0
257.22537	3.4
261.18341	4.7
267.20840	2.9
269.22699	4.0
271.24118	2.8
281.22751	2.8
287.07965	4.1
299.20526	2.7
305.08682	11.7
315.26569	3.3
329.24765	3.5
343.25958	5.6
379.20493	4.8
391.33524	12.2
397.30652	5.2
405.35120	4.2
409.34628	32.7
411.35941	3.4
423.36148	35.7
425.34207	6.5
437.34186	70.4
441.37311	29.9
455.35092	23.7
567.36743	5.1
599.39233	5.3
615.63983	3.2
619.39331	4.3
746.57422	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.03429	1.6
61.02921	5.9
67.05502	5.8
69.03435	2.8
69.07061	1.0
69.86548	4.9
71.04987	1.0
73.02911	5.5
79.05492	4.9
81.03413	2.5
81.07055	5.6
83.08630	1.0
85.02901	5.1
91.03952	2.1
91.05500	2.7
93.07067	3.8
93.57614	0.9
95.08606	3.5
97.02903	4.7
98.21397	1.4
100.85969	0.8
101.02391	2.4
105.07054	2.0
107.08591	2.3
109.10178	1.1
119.08578	2.0
121.10141	2.2
127.03911	1.3
131.08603	1.3
133.10173	1.6
135.11661	0.8
147.11714	1.2
149.09654	1.6
173.71049	0.8
184.07338	1.3
201.15860	0.9
212.69797	0.8
234.28445	0.8
243.08527	2.4
264.35678	1.0
283.15161	5.4
359.34818	0.9
423.61136	0.9
501.23157	5.7
519.29279	5.8
577.78076	1.0
779.45465	100.0
780.45575	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	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
56.43806	0.5
57.03429	2.0
61.02932	4.7
63.20557	0.5
67.05503	3.7
69.03432	2.7
69.07068	2.2
69.89753	3.1
71.01337	0.5
71.04996	0.7
73.02921	3.7
73.83462	0.6
79.05502	3.6
81.03413	1.8
81.07056	7.9
83.04993	1.0
83.08637	1.5
85.02909	4.2
85.06519	0.8
91.03945	2.8
91.05466	3.1
93.07053	4.3
95.04972	1.0
95.08613	2.3
97.02895	3.5
97.53290	0.8
101.02387	2.2
105.07024	4.0
107.08605	2.3
109.02852	0.7
109.10163	1.1
114.70610	0.6
117.82627	0.6
119.08567	2.1
121.10159	1.8
123.11710	0.9
127.03954	1.6
131.08582	0.6
133.10129	1.0
135.11728	0.8
147.11679	3.8
165.12744	1.4
184.07352	1.3
185.04179	0.6
203.05368	0.7
217.95427	0.8
243.08464	2.2
251.12619	1.7
307.15164	0.6
333.20523	0.9
439.20026	0.8
453.20612	1.2
461.47766	0.8
469.20398	9.9
492.98206	0.6
551.28345	4.3
681.34326	1.2
735.41931	0.6
779.41779	100.0
780.42133	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	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03426	1.8
61.02923	4.5
67.05501	3.6
69.03423	3.2
69.07075	2.7
71.04993	0.7
71.58128	0.6
73.02906	4.0
78.68048	0.4
79.05494	3.8
81.03433	1.6
81.07054	8.2
83.04994	1.0
83.08591	0.8
85.02902	4.1
85.06547	0.6
87.04499	0.6
91.03934	2.1
91.05474	3.4
93.07039	2.8
94.61568	0.5
95.04994	0.6
95.08604	3.1
97.02894	4.2
97.06517	0.8
99.04469	0.7
99.67313	0.4
99.94331	0.4
101.02393	1.9
105.07042	3.2
107.04937	0.5
107.08628	1.8
109.02899	1.1
109.06496	0.6
109.10175	1.0
117.07023	0.9
119.08574	2.6
121.06629	0.6
121.10159	1.4
123.11726	1.4
127.03927	1.4
129.05431	0.5
131.08624	0.6
133.10132	1.5
135.11752	0.7
145.10098	0.7
147.11679	3.8
159.11668	0.6
165.12796	1.1
171.11649	0.5
184.07326	2.2
185.04330	0.8
229.30316	0.5
243.08406	2.3
251.11269	0.9
269.12418	1.6
274.12708	0.6
287.13464	0.7
325.14957	0.9
333.20160	1.8
349.94058	0.4
439.19043	0.7
469.20178	12.9
470.20123	0.7
515.21259	0.4
551.28247	5.3
667.32483	0.6
761.40643	0.9
779.41779	100.0
780.42078	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	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.5
55.05507	56.5
55.05758	5.2
57.03450	18.1
57.07062	3.1
59.05000	2.7
61.02919	3.9
65.03926	4.0
67.05502	100.0
69.03411	4.1
69.07059	23.2
71.05019	3.3
71.58206	4.7
79.05067	5.1
79.05494	62.3
81.03415	8.1
81.07053	67.9
83.04996	5.0
83.08634	18.3
85.02910	12.8
87.04469	5.5
91.05476	31.0
93.07043	57.8
95.04973	11.3
95.08602	48.7
97.02956	4.5
97.06513	7.1
97.10149	22.6
105.07030	23.5
107.04938	3.5
107.08595	32.7
109.10158	47.0
117.06999	7.8
119.08589	18.3
121.10142	26.9
123.11717	4.7
125.09625	17.4
126.80845	2.8
129.07027	4.2
131.08562	13.9
133.10129	11.9
135.11678	14.9
139.11183	3.9
143.08542	3.2
145.10141	16.1
147.08080	2.9
147.11697	7.1
149.13319	7.4
155.08498	3.5
159.11694	7.7
161.13219	5.3
163.11139	4.9
173.11758	12.9
173.13191	6.4
187.14857	3.1
199.13301	10.2
209.11774	3.3
227.12738	7.3
229.14267	33.8
230.03767	2.7
243.21074	3.9
247.48061	3.6
261.22101	13.2
301.16437	15.7
319.17441	3.1
335.25809	61.8
363.25058	4.4
477.35693	10.8
489.35693	13.4
561.37848	4.9
781.73022	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	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.3
55.05259	4.1
55.05514	38.1
57.03436	15.7
57.88907	3.3
59.05006	2.9
62.36293	3.0
65.03951	4.2
67.05506	100.0
69.03427	3.6
69.07063	16.0
71.04972	4.7
71.31018	2.7
71.58018	4.7
72.56783	2.8
74.03704	3.0
79.05486	38.2
81.03399	5.2
81.07056	57.7
83.04994	4.0
83.08617	15.6
85.02892	12.7
87.04461	10.7
87.87851	3.0
91.05479	26.9
93.07037	40.1
95.04980	8.2
95.08606	39.8
97.06511	4.5
97.10187	21.6
105.07041	16.1
107.08600	29.0
109.10162	44.9
116.14626	2.9
117.07019	9.0
119.08605	14.6
121.09341	3.4
121.10117	19.5
123.08031	3.4
123.11701	3.2
125.09637	21.8
131.08551	11.1
133.10130	8.8
135.11693	10.3
136.74461	2.6
145.10182	5.1
147.11671	9.0
149.09656	4.2
149.13281	7.6
159.11662	5.9
161.08104	3.2
161.13301	3.4
163.11121	4.8
163.14854	4.3
173.11729	10.4
173.13141	3.9
181.12082	4.0
193.12346	3.5
199.13261	11.9
227.12814	6.7
229.14381	32.0
236.03178	3.2
259.20538	5.2
261.22070	7.9
267.15811	3.8
282.78357	2.8
301.16379	12.2
315.23187	3.3
327.22815	2.9
335.25800	53.5
336.26404	5.0
466.01071	3.1
477.35880	6.5
489.35760	8.7
561.37500	6.8
664.45044	3.8
792.08765	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	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81713	1.0
55.01870	4.2
55.05508	35.0
57.03185	1.7
57.03437	16.0
57.07064	2.4
59.05001	3.0
61.02921	2.3
65.03924	3.1
67.05502	100.0
69.03420	4.4
69.07065	15.3
69.78664	3.5
69.79069	2.3
70.81034	0.9
71.04987	4.1
73.02915	1.0
79.05014	1.0
79.05491	44.9
81.03416	5.4
81.07054	59.0
83.04980	5.0
83.08612	16.1
85.02415	1.5
85.02900	13.7
85.06532	3.6
87.04491	6.2
91.03950	1.2
91.05473	23.1
93.07040	39.9
95.04958	8.7
95.08601	39.4
97.02908	2.5
97.06522	3.4
97.10167	22.9
98.20841	1.7
99.08077	1.6
103.03970	1.3
105.07031	15.4
107.04966	1.2
107.08592	26.4
109.02867	1.1
109.06519	2.0
109.10152	57.0
111.04443	1.1
111.08086	4.2
117.07020	6.9
119.08577	14.2
121.10138	20.8
123.08087	1.9
123.11697	5.8
125.09625	21.9
129.05441	1.2
129.07007	3.1
131.08545	10.4
133.06638	1.2
133.10139	9.8
135.08064	1.3
135.11679	12.5
137.09637	2.8
137.13242	1.4
139.11195	2.3
143.08565	1.8
143.10684	4.3
145.10112	9.2
147.11687	6.5
149.09621	1.5
149.13251	5.2
151.11139	1.5
153.12793	1.9
155.10701	2.8
157.10120	3.3
159.11703	8.1
161.13274	4.4
163.11205	5.0
163.14824	3.3
171.11728	2.1
173.11740	16.7
173.13240	4.7
175.11214	1.3
175.14827	2.0
181.12219	1.1
185.13266	1.7
187.14853	2.7
193.12247	2.5
199.13277	8.9
199.14818	1.6
201.16351	1.4
202.35445	1.0
209.11653	2.1
217.14259	2.0
220.64154	0.9
224.49207	0.9
227.12752	5.1
229.14342	45.2
243.21103	4.4
245.13882	3.3
257.13837	1.2
259.20490	1.6
261.22131	14.9
267.15903	3.9
277.21396	1.1
283.15369	1.5
301.16489	13.2
309.22034	1.0
317.24905	2.3
320.37988	1.1
333.24423	1.8
335.25793	73.4
363.25320	2.6
477.35938	8.7
489.35754	15.0
543.36548	2.4
561.37848	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	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05263	3.1
55.05509	38.4
57.03435	18.5
59.05003	3.1
61.02910	3.4
65.03944	4.2
67.05499	100.0
69.03431	3.9
69.07066	16.8
71.04994	4.8
71.58868	3.4
79.05487	42.6
80.94051	1.7
81.03411	5.0
81.06579	4.0
81.07050	64.8
83.04968	6.6
83.08598	14.8
85.02896	15.9
85.06532	3.6
87.04465	7.4
89.06030	5.8
91.05471	31.6
92.05811	1.8
93.07040	40.2
95.04951	6.8
95.08602	40.9
97.02888	6.1
97.06538	3.9
97.10152	22.1
103.05544	1.7
105.07015	13.0
107.04957	2.7
107.08578	27.4
109.06536	4.5
109.10149	55.7
111.04449	2.0
111.08066	3.4
117.07006	6.0
117.67834	1.8
119.04775	2.0
119.08576	16.3
121.06499	2.1
121.10126	21.5
123.11707	5.3
125.09628	19.6
127.48988	2.1
129.06992	2.3
131.08537	12.5
133.08594	2.6
133.10155	10.9
135.11708	10.4
135.12552	2.0
137.09616	3.4
139.11150	4.1
143.08635	2.5
143.10674	2.8
145.10118	6.0
147.11696	6.7
149.09567	2.6
149.13242	7.2
153.12840	2.3
155.10571	3.1
159.11667	7.9
161.13205	5.7
163.11185	7.0
163.14816	3.6
167.25131	1.8
171.11652	2.4
173.11742	18.5
173.13307	5.5
175.14799	3.2
181.12366	2.5
184.07401	5.6
187.14839	2.7
191.10704	2.2
193.12213	2.3
199.13301	12.0
226.60951	1.8
227.12799	5.7
229.14334	49.5
243.21013	3.4
245.13692	2.1
261.22095	15.0
267.16034	4.8
301.16446	12.9
315.22946	2.9
335.25781	62.4
342.36169	1.8
477.35916	9.6
489.35703	12.8
543.36249	2.5
561.37207	4.4
776.00690	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	775.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
57.03418	1.0
61.02905	0.6
65.03936	4.4
67.05476	2.0
68.99767	0.5
69.03431	3.6
71.04965	1.0
73.02882	1.0
75.61078	0.5
77.03885	0.6
78.04704	4.3
79.05473	2.5
81.03387	2.1
81.07031	1.1
82.04156	1.8
83.04977	0.5
85.02449	0.5
85.02901	7.6
91.05479	6.1
93.03385	0.6
94.04176	0.6
95.04983	2.9
97.02880	3.5
97.06485	1.4
98.21510	1.1
99.04377	0.6
103.05475	2.5
105.03378	0.9
105.07003	0.8
106.04145	1.8
107.04949	4.6
108.02045	1.0
109.02870	1.2
110.03650	2.3
111.04412	1.5
115.05441	7.9
116.06255	0.7
117.07004	10.2
119.04940	6.4
119.08539	0.9
121.06482	1.0
122.03655	1.5
123.04414	10.4
124.05233	4.0
125.05975	2.1
127.03902	1.7
127.05415	1.9
129.06999	0.8
130.04123	0.6
131.04903	2.0
131.08559	0.5
132.05670	0.6
133.02837	1.2
133.06425	1.1
134.03647	0.6
137.05966	17.7
138.03065	1.1
138.06239	0.5
142.02586	1.7
143.04906	2.1
144.05692	1.0
145.02797	0.7
145.06474	16.7
147.04393	7.8
147.08034	1.6
148.07579	1.2
149.05949	1.1
151.03879	4.7
151.07513	1.4
152.04684	3.1
153.05440	1.7
155.04970	0.6
155.06046	4.3
155.07184	0.6
159.04538	0.7
160.05191	1.1
161.05930	2.1
162.06715	0.8
163.07536	1.1
165.05409	1.8
167.07028	100.0
168.07356	1.3
171.06493	4.8
172.05138	0.6
173.05981	22.0
174.06628	0.6
175.07558	2.3
176.04611	0.6
177.05537	1.1
179.07100	3.0
181.04944	70.3
182.05203	0.8
190.06284	0.7
191.07069	2.9
195.06569	0.8
201.05463	1.1
203.06996	3.9
205.06691	0.5
205.08539	7.2
207.06453	0.7
207.10066	0.6
209.07947	0.7
217.08617	1.9
219.06425	1.3
221.08124	1.6
222.06757	0.6
231.06459	1.3
233.05835	0.8
233.08037	8.3
234.06712	0.8
234.08832	1.0
235.07530	1.0
235.09621	10.2
237.09225	0.6
250.06265	1.2
251.06909	0.7
252.07867	0.7
264.07825	0.6
265.08499	1.1
269.91122	0.5
281.08267	0.5
283.09628	0.8
287.05475	1.1
288.05753	1.1
289.05954	0.9
290.06042	0.6
293.08130	1.6
295.06033	0.6
297.11224	1.7
303.04929	1.5
307.09561	0.6
310.08405	1.9
325.10583	2.9
326.11475	1.1
327.08618	0.8
327.12152	0.8
329.13882	0.9
337.10797	0.5
341.10349	0.7
342.10919	0.6
353.10037	0.7
354.10934	0.6
355.11850	1.1
357.13336	9.3
367.11865	0.9
369.13486	1.0
381.13480	1.0
385.12790	43.5
386.13437	1.2
387.14337	11.7
397.12869	2.2
399.14160	1.1
403.13843	3.0
415.13937	4.6
416.14560	1.2
417.15460	13.1
515.17218	0.8
565.20593	1.0
583.22070	1.1
595.21295	0.8
613.22736	17.8
614.23596	0.8
675.43915	0.5
771.05267	0.6
775.27972	22.9
776.28510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
55.05483	0.3
57.03421	0.8
61.02902	0.7
65.03934	3.7
65.26482	0.3
66.04691	0.5
67.05497	1.8
69.03433	2.7
70.06551	0.6
71.04957	0.6
71.57248	0.5
73.02905	0.8
77.03909	0.4
78.04699	3.7
79.05490	2.2
81.03388	1.6
81.07059	0.4
82.04176	1.0
85.02433	0.5
85.02899	6.9
86.09686	0.5
91.05476	5.0
93.03373	1.1
94.04182	0.7
95.04951	2.5
97.02865	1.5
97.06512	0.9
98.97591	0.5
102.00176	0.4
103.05444	2.0
105.03375	0.6
105.06995	0.6
106.04158	1.3
107.04941	2.7
108.02058	0.4
109.02834	0.8
109.06503	0.4
110.03638	1.3
111.04441	1.7
115.05446	6.0
117.06221	0.6
117.07008	9.0
119.04922	5.0
121.06505	0.7
122.03632	0.6
123.04420	7.9
124.05223	3.2
125.05954	1.1
127.03916	0.7
127.05433	1.5
131.04889	0.8
133.02838	0.6
133.06470	0.6
134.03603	0.6
135.04370	0.5
137.02350	0.4
137.05005	0.6
137.05965	7.0
138.03081	1.0
139.03854	0.5
142.02591	1.1
143.04871	0.6
144.05626	0.6
145.02768	0.4
145.06468	15.4
145.07629	0.7
146.58693	0.4
147.04390	5.6
147.08032	1.1
149.05971	0.4
151.03926	2.8
151.07545	1.4
152.04642	2.4
153.05432	1.3
155.04910	0.4
155.06027	4.0
159.04375	0.5
160.05167	0.6
161.05894	1.1
162.06664	0.5
163.07515	0.5
165.05501	1.2
167.07024	100.0
168.07402	1.7
171.06502	3.5
172.05157	0.4
173.05969	22.0
174.06499	0.6
175.03818	0.5
175.07523	1.5
177.05516	0.7
179.07027	2.1
181.04939	55.1
182.05374	0.6
187.03854	0.4
188.04607	0.5
189.05449	0.6
190.06152	0.6
191.07028	1.6
194.07086	0.4
196.40463	0.4
201.05489	1.2
203.06981	2.9
205.08589	6.0
207.06471	0.5
219.06544	1.1
219.10123	0.4
221.08031	0.7
222.06828	0.5
231.06358	0.8
233.08041	5.2
234.08940	0.5
235.07507	0.8
235.09648	6.1
237.09175	0.5
250.06169	0.5
263.07010	0.6
265.08591	1.2
267.10147	0.6
281.08167	0.7
282.08798	0.5
283.09720	0.6
287.05621	0.7
293.07986	0.9
297.11298	1.4
299.09329	0.5
303.04971	1.3
310.08429	1.4
311.09094	0.8
324.10208	0.5
325.10724	1.6
326.11292	0.6
327.12091	0.4
329.13983	0.5
341.09979	0.5
342.10916	0.9
353.10291	0.9
354.10773	0.5
355.11899	0.5
357.13330	7.0
367.11636	0.8
385.12781	32.8
386.13342	1.3
387.14352	6.4
397.12881	1.3
399.14508	0.5
403.13974	2.1
415.13904	3.2
417.15405	24.8
418.15594	0.7
515.16962	0.5
565.21429	0.6
583.21674	0.8
613.22754	13.8
614.23175	0.6
775.27954	18.5
776.28473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06870	1.7
55.01870	3.9
55.05515	23.7
57.03439	23.2
57.07055	2.6
65.03930	2.7
66.92371	1.7
67.05508	71.2
69.03432	4.2
69.07077	14.5
69.24086	17.7
69.24493	2.5
71.04984	5.1
79.05492	52.3
81.03420	94.2
81.07056	68.9
82.14194	1.9
83.04971	5.4
83.08617	24.6
85.02923	1.9
91.05476	35.4
93.07046	47.3
93.75611	1.7
93.83301	1.7
94.41598	2.3
95.04963	26.1
95.08607	48.7
97.02891	4.2
97.06516	3.8
97.10172	7.2
99.08083	2.4
105.07020	26.8
107.04967	6.5
107.08596	26.5
109.06503	5.1
109.10157	19.3
111.04469	2.2
111.08076	8.0
111.53229	1.8
115.05383	2.8
117.07028	9.4
119.08589	25.1
121.06521	3.2
121.10152	20.8
123.08054	3.2
123.11691	5.3
125.09657	4.0
129.06993	10.6
129.44179	1.9
131.08556	22.9
132.17239	1.7
133.06502	4.9
133.10126	14.5
135.08087	2.5
135.11684	13.6
137.09599	2.2
137.13271	2.2
145.10146	12.6
147.08029	5.2
147.11674	15.0
149.09622	5.8
149.13324	9.4
157.10124	10.6
159.11647	6.3
161.09511	2.0
161.13269	5.9
163.11166	2.7
163.14830	2.8
169.10149	1.9
171.11682	3.1
173.13258	7.6
175.11162	9.6
175.14828	2.3
185.13364	2.2
187.14870	4.5
189.11253	2.4
193.12225	20.1
227.12798	6.7
227.55321	1.7
235.13368	2.2
241.18451	1.9
243.15855	1.8
243.21095	6.0
249.15013	2.1
261.22186	16.2
267.15915	100.0
273.14664	2.1
301.25327	9.3
309.16840	2.3
317.24786	4.5
335.25784	87.3
435.32635	4.8
453.33466	8.7
471.34702	4.4
509.36087	2.4
527.37317	55.3
545.30420	3.0
545.38336	36.3
569.38269	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05511	28.1
57.03431	12.6
57.07082	3.8
61.02922	4.3
65.03913	4.0
67.05503	81.0
69.03418	4.5
69.07071	22.6
71.04996	38.5
71.82377	3.0
79.05495	58.1
81.03414	5.1
81.07055	100.0
81.07529	6.1
83.05009	4.0
83.08613	16.2
85.02886	4.6
85.06537	8.6
91.05479	72.1
93.07045	48.4
95.04972	8.7
95.08607	33.7
97.06503	7.7
97.10178	6.0
98.21543	7.2
105.07034	73.0
107.08585	33.1
109.06491	4.8
109.10145	18.0
117.06994	21.9
119.08578	36.9
121.10134	21.7
123.11722	11.5
125.09644	7.1
128.97661	3.0
129.05553	3.3
129.07021	12.2
131.08563	33.7
133.10126	47.9
135.11687	14.4
143.08589	13.1
145.10086	22.6
147.11671	23.5
149.09618	3.8
149.13281	10.6
151.11194	9.6
157.10153	12.9
159.11684	23.3
161.13248	13.5
169.10216	4.4
171.11713	13.1
173.13260	12.7
175.14757	3.9
183.11711	3.9
184.07170	3.2
185.13280	5.8
187.13332	4.3
187.14899	5.2
195.11739	4.7
197.13208	3.4
199.14851	5.3
241.19504	14.1
243.15834	4.6
257.17453	5.2
259.20587	25.6
269.17514	6.6
301.20059	16.4
315.23303	5.2
333.24323	25.2
335.25903	7.2
391.29544	6.1
409.30795	7.5
435.32431	5.3
483.34805	5.3
501.35776	70.0
503.37488	3.4
522.84882	3.7
527.37378	42.4
533.38416	8.2
545.38153	8.0
546.51135	3.5
559.40015	18.3
714.44244	3.7
753.93683	3.3
774.41071	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.7
55.05508	15.8
57.03431	14.1
61.02905	4.1
63.23991	2.9
63.65597	3.3
67.05505	75.9
69.07066	15.2
71.04977	6.1
71.57784	3.8
79.05485	39.6
81.07056	70.4
83.04976	8.0
83.08607	10.0
85.02896	4.0
85.06540	10.3
89.62859	3.1
91.05481	61.7
93.07047	40.5
95.04958	9.5
95.08596	39.6
99.04463	3.4
105.07041	39.8
107.08588	33.9
109.06501	7.8
109.10155	49.7
111.08086	5.6
113.05950	6.1
117.06976	10.2
119.08581	16.5
121.10141	19.2
123.11737	7.0
131.08591	9.7
133.10132	93.8
135.11691	10.3
143.08589	7.1
145.10158	4.1
147.11627	3.5
149.13239	4.8
151.11185	36.9
159.11618	4.1
161.09566	17.1
169.12215	8.9
179.10703	15.9
197.11757	5.3
215.12798	24.8
243.21030	3.9
253.14273	22.1
261.22159	17.3
271.15390	8.6
299.14868	7.8
317.15936	100.0
317.24634	4.6
318.16483	3.6
335.25821	99.6
531.36774	6.5
577.37219	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.7
55.05508	15.8
57.03431	14.1
61.02905	4.1
63.23991	2.9
63.65597	3.3
67.05505	75.9
69.07066	15.2
71.04977	6.1
71.57784	3.8
79.05485	39.6
81.07056	70.4
83.04976	8.0
83.08607	10.0
85.02896	4.0
85.06540	10.3
89.62859	3.1
91.05481	61.7
93.07047	40.5
95.04958	9.5
95.08596	39.6
99.04463	3.4
105.07041	39.8
107.08588	33.9
109.06501	7.8
109.10155	49.7
111.08086	5.6
113.05950	6.1
117.06976	10.2
119.08581	16.5
121.10141	19.2
123.11737	7.0
131.08591	9.7
133.10132	93.8
135.11691	10.3
143.08589	7.1
145.10158	4.1
147.11627	3.5
149.13239	4.8
151.11185	36.9
159.11618	4.1
161.09566	17.1
169.12215	8.9
179.10703	15.9
197.11757	5.3
215.12798	24.8
243.21030	3.9
253.14273	22.1
261.22159	17.3
271.15390	8.6
299.14868	7.8
317.15936	100.0
317.24634	4.6
318.16483	3.6
335.25821	99.6
531.36774	6.5
577.37219	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.1
55.05264	1.5
55.05505	20.2
55.47007	1.0
57.03433	11.8
57.07053	1.6
57.64846	1.0
61.02917	3.1
65.03930	3.9
67.05500	57.7
69.03408	6.6
69.07064	31.4
69.31266	8.9
69.48103	1.0
70.07352	1.1
71.04986	6.0
73.02882	1.8
77.03930	1.2
78.03330	0.9
78.92941	1.1
79.05489	43.4
81.03416	10.1
81.07051	100.0
81.58316	1.0
82.07354	1.4
83.04971	13.3
83.08612	16.3
85.02893	5.4
85.06545	5.2
88.31332	1.1
91.03904	1.2
91.05476	46.6
93.07038	38.0
95.01353	1.1
95.04966	8.2
95.08601	33.3
97.02878	4.6
97.06532	15.7
97.10166	10.6
99.04438	1.6
99.08081	4.6
99.92371	1.0
101.06011	1.5
101.59720	1.0
105.04527	1.2
105.07025	52.9
107.04951	8.2
107.08588	34.4
109.02839	1.4
109.06512	8.8
109.10123	9.2
111.08063	2.9
117.07005	10.7
119.08572	36.6
121.06498	3.5
121.10134	26.5
123.08064	8.4
123.11694	26.5
125.09634	8.3
127.03902	3.4
127.07495	2.3
128.06201	1.7
129.06987	3.7
131.08551	11.4
133.06427	1.5
133.10124	17.4
135.08058	3.9
135.11673	8.4
137.09590	3.2
137.13257	3.2
143.08553	4.4
145.06470	1.3
145.10112	15.0
147.08018	1.8
147.11679	65.9
148.12024	1.7
149.09619	10.2
149.13261	5.7
151.11165	1.6
157.10127	4.9
159.11687	9.1
161.09668	1.3
161.13222	4.0
163.11171	7.5
165.12752	24.3
169.10187	2.2
171.10245	1.2
171.11696	2.9
173.04459	2.3
173.13258	4.5
175.11189	4.1
177.12741	3.9
179.14355	1.5
183.11778	1.9
183.13808	3.5
184.07269	1.9
187.11110	1.3
189.11237	4.6
193.12247	2.3
195.13770	1.9
197.13278	1.3
227.12798	13.1
229.14310	8.1
239.17950	4.1
245.13678	1.5
247.20525	1.3
255.15813	4.9
257.18997	10.2
267.15897	71.4
268.16293	1.1
269.17438	14.4
275.20065	34.9
276.20428	1.1
285.16953	47.4
291.19547	2.0
293.21109	3.8
331.22598	2.9
337.00665	1.2
349.23712	30.8
367.24734	2.9
436.10751	1.3
437.25330	3.7
439.27063	2.6
443.93622	1.2
455.26071	2.7
463.30673	1.4
465.28592	10.7
479.30035	40.3
519.33148	1.5
537.81152	1.1
541.35071	4.2
559.27545	1.8
559.36224	34.9
577.37408	7.3
621.16882	1.1
623.34308	1.5
677.29242	1.4
735.28558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.4
57.03426	16.1
61.02922	20.1
67.05497	69.3
69.03441	7.2
69.07050	18.8
71.19178	8.8
73.02907	8.2
79.05498	60.2
81.03421	6.1
81.07056	71.1
83.08604	16.7
83.09082	4.9
83.35685	4.5
84.25597	4.9
85.02918	14.4
90.59153	4.1
91.03986	5.0
91.05473	57.3
93.07028	63.5
95.04945	13.5
95.08611	67.4
97.02881	12.1
97.06509	6.0
105.07022	57.2
107.08590	35.3
109.10134	23.7
117.07010	23.1
119.08583	48.0
121.10114	29.1
123.11665	9.0
129.07005	13.1
131.08583	38.9
133.10141	49.3
135.11679	21.6
136.96638	4.9
143.08542	17.5
144.29472	5.6
145.10112	33.7
147.11685	32.0
149.13252	10.1
157.10152	20.5
159.11707	28.6
161.13242	23.0
163.11179	5.2
171.11673	20.5
173.13243	22.1
175.14838	14.9
183.11711	8.2
185.13266	14.3
187.14793	8.6
195.11662	7.1
197.13242	5.2
199.14922	8.9
201.16438	5.3
211.14836	5.3
213.16316	6.0
215.17900	7.4
219.21841	5.0
231.21245	6.2
241.19492	25.3
259.20523	33.0
261.22226	6.5
333.24255	21.3
335.25815	71.5
385.18381	5.0
385.23523	5.3
537.43115	5.0
580.02228	4.9
593.45587	13.9
611.46735	100.0
623.46539	6.3
755.51031	6.1
773.52490	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	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.3
57.03419	13.5
57.07061	3.7
61.02910	15.3
65.03933	6.1
67.05183	5.5
67.05506	89.2
67.06055	3.6
69.03416	13.5
69.07076	30.5
69.90852	23.7
71.04997	3.7
72.06917	3.3
73.02922	10.0
79.05490	74.9
81.03416	6.8
81.07053	91.3
83.04989	4.9
83.08615	11.9
85.02885	16.7
85.06530	6.1
89.23035	3.6
91.03944	7.1
91.05479	65.0
93.07041	81.5
95.04958	17.1
95.08603	73.3
96.56474	3.1
97.02882	9.6
97.06534	7.1
97.10134	6.2
105.07034	69.2
107.08593	45.7
109.06496	7.1
109.10139	28.2
115.05400	4.1
117.07008	27.0
117.07719	4.6
119.08576	63.6
121.06457	6.0
121.10139	39.2
123.11678	11.3
127.03876	3.8
128.06259	4.3
129.06989	14.4
131.08551	37.4
133.10133	52.9
135.11697	30.6
137.09567	3.8
139.09494	3.7
140.98788	4.0
141.06987	6.7
143.08560	24.6
145.10133	33.8
147.11679	41.0
149.13249	15.6
155.08517	6.2
157.10132	21.8
159.11705	32.2
161.13261	29.5
163.14799	7.0
167.08557	5.2
169.10091	9.8
171.11667	27.3
173.13216	25.9
175.14809	17.4
182.07335	3.5
183.11655	12.4
185.13232	16.5
187.14839	9.8
189.16435	3.9
195.11737	4.4
197.13254	7.7
199.14822	11.0
201.16403	4.5
213.16411	6.9
231.20946	5.6
239.18004	5.0
241.19582	23.6
243.21017	7.3
257.19034	7.7
259.20526	34.6
261.22113	8.8
301.21545	4.5
333.24136	27.0
335.25793	76.1
337.27527	4.6
351.25198	4.1
395.98380	4.3
442.12875	3.8
456.40320	4.1
519.41791	5.7
593.45325	8.2
611.46619	100.0
701.47900	6.2
710.77716	4.1
737.49396	6.2
773.51093	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	773.2144
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.97938	0.2
55.01863	0.3
55.05516	0.5
57.03432	2.7
58.99572	0.8
59.99894	0.2
61.02929	2.2
61.41257	0.2
64.79665	0.2
67.05493	0.4
68.99783	0.6
69.03410	1.5
70.72237	0.7
71.04993	11.5
73.02926	1.1
74.09692	0.3
75.04466	0.9
76.02224	3.6
79.05485	0.5
81.03421	2.9
82.03749	0.4
83.04977	2.0
83.08616	0.6
84.04501	0.7
85.02904	19.8
87.04435	0.5
91.03474	0.2
91.03960	1.6
91.05470	2.0
93.07024	0.4
95.04947	1.3
97.02892	2.8
99.04437	0.6
103.03934	0.3
107.04957	0.4
109.02869	1.0
111.00791	1.0
111.04423	1.0
111.08088	0.3
115.03975	0.3
116.01659	0.8
119.04945	3.2
121.02879	1.4
123.04430	0.5
127.03914	1.9
129.05482	5.3
130.05025	0.7
135.04381	0.3
137.02336	3.0
139.18146	0.2
144.01131	0.3
145.02852	0.3
145.04956	1.2
145.06367	0.3
147.04410	9.2
147.06429	2.0
149.02307	0.3
153.01836	3.5
162.02171	1.5
163.02660	0.2
163.03906	0.8
163.06071	1.3
163.07256	0.2
165.01840	2.0
165.05524	0.3
166.02637	0.3
173.06021	0.3
175.11166	0.3
177.03296	0.3
179.03407	0.3
179.04865	2.3
180.05101	0.4
183.02882	0.7
193.12228	1.1
194.12596	0.6
198.96945	0.2
201.05453	1.5
207.02873	0.3
215.03384	0.4
219.06401	0.4
228.04257	0.3
229.04961	4.6
229.07033	0.4
233.06033	0.5
247.05954	0.8
255.08730	0.3
257.04388	2.5
267.15878	0.6
268.16217	0.8
274.04688	1.0
275.05237	0.3
285.03958	1.2
285.16873	0.7
286.17398	0.3
287.05447	1.5
303.04984	100.0
303.75369	0.3
304.05325	2.1
308.09152	2.9
309.09332	1.2
315.05002	1.3
319.04584	0.5
327.05017	0.4
341.06711	0.4
345.05994	1.5
350.84741	0.2
369.06012	0.8
381.06332	0.3
429.07678	0.4
465.10339	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	773.2126
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05500	0.6
57.03432	3.0
61.02923	2.1
64.35317	0.4
68.99791	0.6
69.03412	1.2
70.55304	0.7
70.55692	1.0
71.04990	12.8
73.02907	1.6
75.04460	0.9
76.02231	0.8
81.03403	1.8
81.10799	0.4
83.04964	2.1
84.04472	0.4
85.02900	20.1
87.04448	0.5
91.03947	2.2
91.05438	0.7
95.04943	0.5
97.02880	1.6
99.04409	0.4
102.16142	0.4
109.02876	0.7
111.00781	0.8
111.04419	1.6
116.01641	0.6
119.04922	1.1
121.02863	1.1
127.03915	1.8
129.05475	5.8
134.76036	0.4
135.04466	0.5
137.02336	2.9
145.04919	1.4
145.53381	0.4
147.04385	4.1
147.06485	2.9
149.02330	0.6
151.07080	0.4
153.01788	3.7
163.03918	0.9
163.05992	1.0
165.01805	2.4
179.04869	1.0
183.02911	0.9
187.03789	0.5
193.12277	0.5
201.05441	1.2
206.37405	0.4
229.05005	4.1
247.06133	1.1
257.04431	2.8
274.04861	0.7
285.03879	1.3
287.05542	0.8
303.04962	100.0
303.48865	0.5
304.05185	1.8
308.09113	1.1
309.09344	0.6
315.05054	1.0
322.44800	0.4
327.05527	0.4
345.05948	1.5
368.45261	0.4
369.05963	0.9
381.05930	0.5
453.93546	0.4
465.10266	2.7
495.21295	0.5
651.09589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01855	0.2
55.92657	0.1
57.03434	1.3
61.02927	1.5
65.03912	0.2
65.59464	0.1
68.99757	0.4
69.03388	0.4
71.01299	0.1
71.04989	8.3
71.08862	0.2
71.49012	0.1
73.02901	0.6
74.37789	0.1
75.04424	0.4
81.03408	0.6
81.06297	0.1
83.04981	0.7
84.04456	0.2
85.02901	11.0
86.03172	0.1
87.04427	0.3
91.03950	0.9
91.05444	0.5
93.03372	0.3
95.04909	0.3
97.02888	1.3
99.04424	0.2
107.04887	0.1
109.02834	0.6
111.00808	0.8
111.04379	0.4
119.04922	0.9
121.02857	0.9
123.04391	0.3
127.03890	0.7
129.04640	0.2
129.05486	2.5
137.02321	2.7
139.03860	0.2
145.04935	0.3
147.04405	3.8
147.06439	0.5
147.07515	0.2
149.02330	0.5
153.01823	3.2
161.05902	0.2
163.03935	0.6
165.01819	1.9
165.05428	0.2
166.02515	0.1
173.05997	0.3
183.02942	0.8
183.04369	0.2
187.03882	0.3
193.92065	0.1
195.02940	0.3
200.92978	0.1
201.05426	1.2
205.04845	0.1
213.05498	0.2
219.02956	0.2
219.06543	0.3
229.04950	3.5
247.06038	0.6
257.04419	2.7
274.04626	0.5
275.05423	0.2
285.03931	1.3
287.05499	2.3
302.04697	0.2
303.04965	100.0
304.05310	2.0
308.09216	0.2
315.04959	0.2
317.06534	0.4
319.04553	0.4
345.06024	0.6
369.05981	0.3
447.08481	0.2
449.10709	0.4
465.10266	17.1
466.10358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2123
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05493	0.3
55.80542	0.1
57.03437	1.5
59.04960	0.1
61.02920	1.6
66.01376	0.2
68.99789	0.4
69.03419	0.5
71.01326	0.2
71.04988	8.3
71.26775	0.3
73.02895	0.6
74.87785	0.1
75.04452	0.2
81.03412	0.3
83.04967	0.6
84.20276	0.1
85.02899	10.4
87.04461	0.3
87.41299	0.2
91.03943	0.9
96.26685	0.1
97.02892	1.0
98.11262	0.2
99.04440	0.3
109.02891	0.5
111.00815	0.8
111.04389	0.2
121.02872	0.6
123.04398	0.3
127.03904	0.7
128.48183	0.2
129.05476	2.6
137.02319	3.0
145.04927	0.3
147.06483	0.8
149.02327	0.5
153.01810	2.8
160.15831	0.2
161.05963	0.2
163.03894	0.6
163.06020	0.2
164.98549	0.2
165.01843	2.0
166.02747	0.2
170.93404	0.2
173.06065	0.2
183.02867	0.9
183.04398	0.3
187.03940	0.2
191.03410	0.2
195.02914	0.2
201.05463	1.4
205.04967	0.2
213.05414	0.2
219.06514	0.3
229.04945	4.0
233.04620	0.2
247.05984	0.8
257.04379	2.9
274.04675	0.7
275.05551	0.2
285.04007	1.3
303.04959	100.0
304.05334	1.9
315.04895	0.4
345.05832	0.7
369.06152	0.3
413.08511	0.2
434.37872	0.2
449.10776	0.3
465.10266	18.0
466.10556	0.6
682.75702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1898
Annotation	6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)
Peak:m/z	Relative Intensity
56.96524	0.1
57.03427	0.3
58.99538	0.1
61.02923	0.3
65.03925	1.2
65.13307	0.2
68.99795	0.8
69.03407	0.5
71.04976	0.6
76.02199	0.5
81.03418	1.3
83.04956	0.2
85.02895	2.3
91.05470	9.1
93.03371	0.2
95.04944	0.5
97.02889	1.0
98.21555	0.5
100.67503	0.1
101.66339	0.2
107.04949	0.3
107.55898	0.1
109.02862	0.8
111.00764	0.9
111.08121	0.1
119.04928	21.6
121.02864	1.0
123.04411	0.3
127.03930	1.0
129.05489	0.2
131.08592	0.2
133.06425	0.2
135.04436	0.2
137.02313	3.8
144.01178	0.2
145.02721	0.2
145.06483	0.2
147.04390	69.1
148.04718	0.5
149.02351	0.4
153.01813	3.6
155.04848	0.2
159.04471	0.2
160.86160	0.2
161.06006	0.3
162.02158	0.2
163.03923	0.6
165.01801	2.4
165.05443	2.1
173.06010	0.6
175.11192	0.2
177.05513	0.4
179.03441	0.2
179.04875	0.4
183.02922	1.0
183.04337	0.3
185.05962	0.2
187.03925	0.2
190.53502	0.2
193.12289	0.2
194.12657	0.2
201.05431	1.7
205.04901	0.2
209.29108	0.2
219.06561	0.4
229.04947	4.4
230.05475	0.2
230.08229	0.2
231.06525	0.5
247.05858	1.0
257.04434	3.2
267.15952	0.2
273.07437	0.2
274.04700	0.7
275.05365	0.3
285.03787	1.3
287.05502	0.4
291.08652	0.8
302.04297	0.3
303.04947	100.0
304.05185	1.5
308.09091	0.5
309.09741	1.4
317.06354	0.2
319.04291	0.3
345.06052	0.5
377.01801	0.5
465.10266	6.9
532.34991	0.1
560.98993	0.2
794.42645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.7
55.05509	21.2
57.03433	7.1
57.80291	1.6
61.02933	2.7
67.05168	3.2
67.05502	35.6
69.03423	7.2
69.07066	26.6
71.04983	4.1
71.58554	2.0
79.05487	28.5
81.03403	9.8
81.03851	1.7
81.07052	66.8
83.04971	7.5
83.08622	12.8
85.02906	4.2
85.06557	3.2
87.04510	1.7
87.86955	1.8
91.05479	29.6
93.07031	25.7
95.04962	7.8
95.08607	20.7
97.02878	11.2
97.06538	5.9
97.10157	11.3
99.08093	2.1
105.07035	30.0
107.04956	5.4
107.08588	18.0
109.06532	4.8
109.10180	8.4
111.04456	2.2
116.06203	1.9
117.07014	6.5
119.08585	28.0
121.06542	2.9
121.10130	14.0
123.08073	4.7
123.11680	17.8
125.09619	11.6
129.07014	4.2
131.08557	9.1
133.06500	3.5
133.10146	6.4
135.08087	3.6
143.08585	3.9
145.10074	10.2
147.08035	5.3
147.11679	41.6
149.09587	3.3
151.11179	2.1
157.10146	4.6
159.11682	2.7
161.09625	2.7
163.11128	2.7
165.08994	2.6
165.12756	15.3
169.10123	2.4
171.11650	2.4
175.11212	3.0
181.12163	2.2
183.13808	3.1
189.11259	5.3
193.12227	3.9
211.13350	2.3
223.13274	14.6
227.12755	7.1
229.14389	2.8
249.14803	2.1
267.15921	62.5
273.18484	19.3
275.20023	2.1
283.15387	2.8
285.16943	50.9
291.19528	100.0
292.19949	2.5
347.22131	4.2
365.23230	53.3
437.25058	2.6
495.29379	2.4
557.34613	4.7
575.35687	69.6
576.36078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.6
55.05514	20.2
57.03421	7.7
65.03928	3.3
67.05173	3.3
67.05505	41.5
69.03407	8.0
69.07075	20.8
71.04987	5.3
71.57621	2.9
79.05059	3.6
79.05492	45.6
81.03401	7.3
81.07053	50.2
83.04977	6.9
83.08614	14.0
85.02882	5.0
85.41645	2.0
91.03996	3.0
91.05477	32.6
93.07045	61.1
95.04962	13.1
95.08604	45.2
97.02886	7.5
97.06525	13.5
97.10157	8.5
99.04453	3.9
105.07035	29.0
107.04940	12.3
107.08583	50.4
109.06518	4.6
109.10126	9.8
111.04433	2.9
111.08058	3.3
117.07004	19.8
119.08585	24.9
121.06489	6.6
121.10149	16.5
123.08099	2.5
125.06023	4.3
125.09634	6.0
129.06987	4.1
130.07820	3.0
131.08528	11.0
133.10138	14.7
135.08105	5.2
135.11684	47.9
139.07495	3.0
143.08546	3.9
145.10118	35.9
147.11707	7.2
149.09601	8.3
149.13177	3.3
157.10185	3.1
159.11674	8.2
163.11171	62.1
173.13170	3.8
179.14339	2.8
181.12254	9.8
183.11681	3.5
189.11258	4.4
205.50830	2.2
227.10510	4.8
227.12782	100.0
257.19006	8.5
267.15643	3.3
269.17484	9.2
275.20074	20.0
283.15390	51.4
307.53400	2.7
331.22711	3.2
349.23764	28.1
453.24915	4.6
461.28809	4.4
463.26770	7.3
477.28375	34.2
557.34680	30.9
575.35553	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	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05513	8.6
57.03419	4.9
61.02923	13.5
67.05504	18.1
69.03432	7.8
69.07067	7.3
69.89635	4.5
69.90047	2.5
71.01347	1.6
73.02910	7.1
79.05488	14.4
81.03407	1.8
81.06644	1.5
81.07063	15.5
83.08611	3.8
85.02901	13.9
91.03937	6.4
91.05474	11.0
93.07041	12.4
95.04962	2.7
95.08599	13.1
97.02890	11.8
97.10141	1.8
99.04444	1.5
101.02336	2.3
105.07022	9.7
107.08584	9.5
109.02859	1.6
109.10134	5.5
117.07019	6.2
119.08587	11.3
121.10126	5.7
127.03896	2.2
128.06232	1.8
129.07014	7.6
131.08543	12.4
133.10106	10.3
135.11667	3.2
141.07002	5.5
142.07793	2.7
143.08574	9.5
145.10106	10.2
147.11690	4.0
149.13228	1.4
155.08495	6.1
157.10085	10.4
159.11748	7.2
160.92169	1.2
161.13261	2.6
166.07799	1.6
167.08591	4.4
169.10135	10.2
171.11705	7.4
173.13246	5.4
175.14774	1.5
179.08554	1.6
181.10120	4.8
182.10985	1.5
183.11679	13.0
185.13255	7.0
187.14896	2.6
193.10138	3.8
195.11705	5.8
197.13234	7.9
199.14795	4.0
207.11670	2.8
207.58189	1.2
209.13228	6.0
211.14867	6.6
213.16377	3.4
213.87686	1.3
221.13228	2.5
223.14801	4.7
224.96756	1.1
225.16394	3.9
227.18117	1.5
235.14838	1.7
237.16405	2.3
253.19524	1.4
280.98404	1.3
351.26996	2.3
466.27103	1.5
517.40594	6.7
535.41071	3.0
539.37555	2.4
541.38947	1.7
544.33557	1.3
591.43842	4.3
607.43378	1.7
609.45123	100.0
610.45239	7.8
611.45691	1.4
771.38116	1.4
771.50458	16.5
772.51111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05269	0.8
55.05511	12.5
57.03438	5.7
57.07065	2.2
61.02922	16.2
65.03930	1.9
67.05500	25.1
68.70880	0.5
69.03425	10.1
69.07065	10.8
70.19241	1.7
71.01350	1.8
71.04974	2.0
73.02913	8.5
79.05491	18.8
81.03410	4.5
81.07050	23.3
82.44859	0.5
83.04979	2.7
83.08619	7.0
85.02897	14.7
85.06554	1.6
91.03955	7.4
91.04911	0.5
91.05479	14.7
93.07035	20.3
93.07625	1.0
95.04957	3.6
95.08601	19.7
97.02888	12.6
97.06521	2.1
97.10162	3.7
99.04433	1.6
99.08061	0.6
101.02392	1.9
105.07025	16.4
107.04955	2.3
107.08583	10.5
109.02881	1.7
109.06513	2.6
109.10142	8.8
111.08090	1.5
111.11734	0.7
113.09646	0.6
115.03926	0.7
115.05450	2.1
117.07016	10.4
119.08581	13.4
121.06514	1.0
121.10133	8.4
123.08087	1.8
123.11726	1.9
125.09621	1.6
127.03860	2.7
128.06221	2.5
129.06992	10.8
131.03444	0.6
131.08566	13.8
133.10109	8.9
135.08064	1.4
135.11676	4.9
137.09641	0.9
137.13280	0.8
141.06975	5.0
142.07758	3.4
143.08556	12.1
144.09328	0.6
145.05023	0.5
145.06502	0.7
145.10120	12.2
147.11661	6.1
147.12665	0.7
149.02159	0.5
149.09639	1.0
149.13300	2.2
151.11229	0.6
153.07039	1.6
154.07767	1.9
155.08543	10.0
156.09325	1.4
157.10115	13.8
158.10895	0.9
159.11682	9.5
161.09607	0.9
161.13232	2.9
163.14821	1.4
165.07048	1.3
166.07764	0.7
167.08571	4.6
168.09331	2.0
169.10118	12.9
170.10892	1.1
171.11682	10.8
173.09659	0.7
173.13264	6.9
175.14828	1.9
179.08575	2.3
180.09369	1.0
181.10104	7.7
182.10878	1.2
183.08139	0.7
183.11702	12.6
185.09676	0.9
185.13237	8.5
187.11111	0.7
187.14769	4.0
189.16399	1.5
191.08421	0.7
193.10051	3.6
194.10909	0.7
195.11673	9.4
196.12457	1.4
197.13237	9.4
199.14799	4.9
201.16399	1.7
205.10130	2.1
206.10770	0.6
207.11693	3.4
209.13300	6.1
211.14804	5.9
213.16415	2.9
215.17934	0.6
219.11716	1.5
221.13315	2.9
223.14836	5.6
225.16324	3.9
227.18069	2.0
233.13318	1.1
235.14853	2.3
237.16446	2.9
239.17908	3.7
241.19804	1.3
247.14819	0.9
249.16393	1.6
251.17998	2.2
253.19635	1.5
257.19092	0.8
261.16354	0.8
263.18079	1.7
265.19589	0.8
268.21606	0.7
277.19653	1.0
279.21149	1.4
283.20395	0.9
285.22101	0.8
287.20114	0.8
295.20670	0.8
297.22455	0.8
299.20267	0.8
299.23651	1.0
301.22089	0.6
307.20691	1.1
311.23505	1.3
313.21811	0.9
319.23929	0.6
323.23792	1.4
325.25150	0.7
335.26065	1.6
337.25250	1.2
342.27173	0.6
349.25360	1.6
351.26797	1.5
353.24692	1.6
355.26154	0.8
363.26700	1.1
365.28690	1.2
369.28189	1.0
375.26831	0.7
377.28433	1.0
379.29968	1.5
391.30408	0.9
393.31677	0.7
395.29401	0.6
403.29736	0.7
407.29510	0.9
426.49615	0.6
435.32944	1.0
447.32541	1.6
449.34387	0.9
461.33887	0.8
473.33221	0.7
487.34158	0.9
499.39664	1.4
501.35995	0.9
513.35748	1.1
515.37927	0.9
517.40479	9.2
521.36389	0.7
525.35742	0.9
527.37274	1.1
535.41541	4.3
539.37024	2.7
541.38983	1.5
553.40320	1.0
555.41406	0.6
567.40326	0.9
573.43158	1.9
589.41821	0.9
591.44025	7.0
607.43921	3.6
609.45074	100.0
610.45422	7.0
621.45013	1.4
651.45892	1.0
675.46069	0.8
699.46283	0.8
717.47034	1.4
735.48053	1.6
753.49261	2.3
771.50372	17.3
772.49994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2347
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
55.01870	0.4
55.05508	0.9
56.96578	0.5
57.03434	4.4
61.02923	0.7
67.05500	0.4
67.15731	0.2
69.03427	2.9
71.01344	0.6
71.04992	25.9
73.02911	2.0
75.04465	1.7
78.47311	0.2
81.03408	0.5
83.04978	5.2
83.05462	0.4
85.02901	34.1
87.04460	1.0
91.03946	0.3
92.02654	0.3
93.03413	0.5
95.04961	0.8
97.02895	0.6
97.06523	0.4
98.20633	0.4
98.97577	0.2
99.04436	1.2
100.69784	0.2
101.06015	0.6
103.03866	0.2
104.76082	0.2
109.02898	0.5
109.06564	0.3
111.04440	4.6
111.14085	0.2
113.06001	0.7
117.05476	1.0
121.02892	0.6
121.16767	0.2
123.04415	0.4
125.06001	0.3
127.03902	0.7
129.05476	8.8
137.02350	0.5
137.06021	0.3
139.03880	1.0
145.04964	0.4
147.06512	2.6
151.03891	2.8
153.01823	4.6
153.05453	1.6
157.04939	0.5
163.03931	0.4
163.06017	0.9
165.01863	0.6
165.09012	0.2
171.06500	1.0
175.03601	0.2
177.05450	0.4
179.06960	0.3
183.02907	0.3
193.08621	0.3
195.02956	0.5
201.05496	0.5
201.07727	0.7
203.03549	0.2
211.09544	0.2
213.07611	0.5
217.04988	0.5
218.05759	0.4
228.04143	0.7
229.04991	2.4
230.31683	0.4
231.02802	0.4
231.09052	0.4
237.02748	0.4
239.09029	1.0
245.04424	0.8
246.05170	1.1
256.03644	0.4
257.04514	2.3
257.10263	0.4
260.03101	0.3
261.07486	0.4
271.05991	0.4
273.03940	1.1
274.04703	2.9
275.11279	0.2
283.12125	0.3
284.03207	0.3
285.03931	3.6
286.04755	0.4
288.06161	0.3
298.04767	0.4
299.05521	0.4
301.03806	0.3
301.07114	1.2
302.04227	11.0
303.04855	0.7
313.07217	0.3
314.04236	1.0
315.04968	1.2
316.05847	0.6
317.06546	100.0
318.06931	2.3
327.04913	0.2
329.06534	5.0
330.07278	0.5
341.06540	1.8
343.08142	0.4
353.06564	0.4
355.08206	0.7
359.07587	7.8
365.05386	0.3
367.08133	0.4
371.07632	0.2
381.09784	0.3
383.07532	3.0
385.09024	0.3
389.08475	0.5
395.07642	0.3
401.08707	0.2
409.09027	0.8
425.08789	0.4
427.10278	2.2
443.09918	0.5
445.11224	1.9
445.17328	0.6
451.10388	0.2
461.10797	0.8
463.12387	7.8
463.18439	0.3
479.11847	21.7
480.12372	0.3
489.13971	0.2
556.23639	0.2
625.17371	0.9
647.55292	0.2
771.26837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2332
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05497	0.7
57.03445	2.8
60.02753	0.5
60.04134	0.5
61.02920	1.2
69.03421	1.2
70.15393	2.1
71.04988	20.6
73.02905	2.1
75.04471	1.2
78.32337	0.6
83.04987	4.3
85.02899	24.2
87.04460	0.7
91.03986	0.9
92.02615	0.5
93.03383	0.9
95.04942	0.7
96.85074	0.5
97.02877	1.4
109.02865	0.6
111.04456	2.9
113.05978	0.6
117.03355	0.7
117.05499	0.5
119.04922	0.8
121.02901	0.9
127.03905	0.8
129.05487	6.0
145.02834	1.4
147.04405	2.4
147.06522	1.9
151.03911	1.2
153.01826	5.4
153.05440	1.5
163.06013	0.6
170.13235	0.5
177.05476	3.1
223.59856	0.5
228.04153	0.6
229.04912	2.7
239.09180	1.4
245.04515	1.0
246.05225	0.9
255.79875	0.5
257.04437	2.0
273.03937	2.1
274.04779	2.9
285.03903	4.0
287.05594	2.8
302.04218	11.7
317.06543	100.0
318.06845	1.9
329.06537	1.7
359.03021	0.6
359.07458	2.7
383.07755	1.3
427.10132	1.1
463.11920	0.8
479.11774	1.9
605.22681	0.7
625.15320	0.6
644.76056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06092	0.2
57.03434	1.1
63.02369	0.3
68.99780	0.5
69.03410	0.4
70.06577	0.6
70.21522	0.2
70.21798	0.9
71.04987	6.3
75.04474	0.3
81.03386	0.3
83.04974	0.6
85.02899	7.1
87.04465	0.3
89.03909	4.7
91.05444	0.5
95.04993	0.2
105.03368	0.3
106.04166	0.2
107.04911	0.4
109.02891	0.4
111.00787	0.5
111.04414	0.4
117.03372	12.7
118.06871	0.6
118.62319	0.2
121.02861	2.3
127.03917	0.4
129.05493	1.6
129.06958	0.2
133.02821	0.4
134.03615	1.2
135.04420	1.3
137.02348	0.6
137.05971	0.3
141.07043	0.3
145.02834	29.3
146.03180	0.4
147.04341	0.9
147.06488	0.3
149.05975	4.4
153.01834	3.3
157.06494	0.4
161.05975	0.2
162.03127	0.3
163.03900	0.3
165.01830	1.7
177.05458	49.8
178.05800	1.0
183.02887	1.0
185.05946	0.5
186.05458	0.7
187.21313	0.2
189.05476	0.3
191.07124	0.3
195.06454	0.7
203.07076	0.3
213.05466	1.4
215.06932	0.2
231.06439	1.0
233.08130	0.2
241.04926	0.9
258.05383	1.0
259.05881	0.5
261.07678	1.0
283.43625	0.2
287.05478	100.0
288.05847	2.8
303.08597	0.6
317.06540	0.8
321.09750	1.8
323.11438	0.3
329.06464	0.3
339.10794	1.5
366.60950	0.2
373.19073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05511	0.2
57.03432	1.6
61.02922	0.4
63.02364	0.2
65.03934	0.1
68.99791	0.7
69.03425	0.9
70.06583	0.6
71.01345	0.2
71.04987	9.5
73.02898	0.3
75.04477	0.4
79.05473	0.2
80.75873	0.2
80.94875	0.1
81.03416	1.2
83.04975	0.7
84.04537	0.2
85.02900	16.8
87.04437	0.2
89.03913	3.3
91.05470	0.2
95.02926	0.1
95.04977	0.2
97.02885	2.1
99.04437	0.2
101.43999	0.1
103.05446	0.3
105.03403	0.3
106.04163	0.1
107.04942	0.4
109.02888	1.0
110.78512	0.1
111.00800	0.6
111.04430	0.6
117.03372	9.5
118.06879	0.6
119.04947	0.2
121.02855	2.8
127.03889	1.0
129.05478	1.7
129.07010	0.2
133.02831	0.5
134.03610	0.9
135.04443	1.0
137.02332	1.0
137.05984	0.2
138.09619	0.1
145.02837	21.1
145.04805	0.5
147.04413	0.8
147.06514	0.4
149.05965	3.0
153.01823	4.1
153.17085	0.2
157.06509	0.6
163.03909	0.4
163.07610	0.2
165.01804	2.1
171.04459	0.2
177.05460	36.5
178.05818	0.5
183.02893	0.8
185.05977	0.5
186.05476	0.6
195.06514	1.4
213.05428	1.4
229.63715	0.2
231.06450	0.9
241.04893	0.9
258.05234	1.3
259.06012	0.5
274.12097	0.2
287.05475	100.0
288.05823	2.6
299.05530	0.6
302.04321	0.2
317.06601	0.3
321.09747	0.3
322.35062	0.2
329.06534	0.2
339.10782	1.7
413.09003	0.2
485.16214	0.4
506.75644	0.2
625.15460	0.4
653.44647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03436	1.2
61.02896	0.2
63.02370	0.2
65.03932	0.3
68.99785	0.5
69.03429	0.2
69.61467	0.9
70.06578	0.6
71.04988	8.3
73.85027	0.1
75.04472	0.3
79.05479	0.2
81.03396	0.5
83.04962	0.7
84.04485	0.1
85.02898	9.4
87.04463	0.3
89.03902	3.1
91.05493	1.4
97.02891	0.7
98.21504	0.3
99.04459	0.2
103.05470	0.3
105.03397	0.2
106.04169	0.1
107.04932	0.6
109.02870	0.4
111.00800	0.8
111.04449	0.4
117.03374	9.5
118.06863	0.7
119.04913	2.2
121.02866	2.5
121.18672	0.1
125.96909	0.2
127.03867	0.4
129.05455	2.1
133.02843	0.4
134.03639	0.6
135.04422	1.0
137.02342	0.8
137.05925	0.2
145.02832	24.9
146.03174	0.3
147.04402	8.5
149.05965	3.8
153.01817	4.5
157.06462	0.6
161.05920	0.3
163.03862	0.5
165.01828	1.8
165.05492	0.3
171.04518	0.3
175.03891	0.2
177.05455	45.9
178.05800	0.9
183.02869	1.0
183.33986	0.1
185.05959	0.6
185.07465	0.2
186.05511	0.4
189.05467	0.4
195.06499	1.8
196.80745	0.1
197.05986	0.3
203.07022	0.3
205.04922	0.2
207.06483	0.2
213.05443	1.4
213.12279	0.2
217.08615	0.2
229.04892	0.5
231.06517	0.8
233.08064	0.2
241.04936	0.7
245.04272	0.1
257.04483	0.5
258.05246	1.0
259.06039	0.5
261.07541	0.8
273.07224	0.2
274.04721	0.5
274.12119	0.3
285.03925	0.6
287.05472	100.0
288.05811	2.8
291.08389	0.3
302.04208	1.6
303.08594	0.4
305.09940	0.2
317.06531	12.3
318.06894	0.3
321.09702	1.4
323.11249	0.4
329.06464	0.3
339.10791	2.1
373.18903	0.3
401.02209	0.2
468.66345	0.2
607.14056	0.3
632.44171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.8
55.05511	41.2
57.03427	12.8
57.07069	5.6
61.02919	14.7
65.03926	12.5
67.05169	8.2
67.05501	100.0
69.03423	40.0
69.07067	39.5
70.46842	4.2
71.04984	12.5
71.58367	4.0
71.58853	7.0
73.02908	6.0
79.05488	89.4
81.03414	64.5
81.07049	98.7
83.04984	18.4
83.08609	21.7
85.02900	23.4
85.06540	6.8
91.03947	6.4
91.05473	81.6
93.07041	72.1
95.04966	24.4
95.08595	67.7
97.02888	29.7
97.06523	12.8
97.10179	16.7
99.04453	11.6
105.07024	79.5
107.04958	10.9
107.08579	38.8
109.02860	11.0
109.06501	8.4
109.10146	28.9
111.08099	7.3
117.07008	43.3
119.08578	52.5
121.06538	6.9
121.10123	27.9
123.08097	9.1
123.11729	6.8
125.09612	10.0
127.03863	12.0
128.06236	13.0
129.06990	27.2
130.07732	5.2
131.08565	48.9
133.06497	7.6
133.10143	36.9
135.08058	8.6
135.11679	17.8
137.09511	4.6
141.06998	13.5
142.07846	7.3
143.08562	33.5
144.09360	6.0
145.04973	5.4
145.10121	35.5
147.08043	5.6
147.11690	25.0
149.09663	13.3
149.13240	12.4
151.11209	4.7
154.07803	6.1
155.08560	28.3
156.09372	5.6
157.10153	27.7
159.11711	25.0
161.09605	8.2
161.13239	12.6
163.11151	8.7
165.06940	7.0
167.08562	15.9
169.10172	25.6
171.08038	5.3
171.11713	26.2
173.04486	25.6
173.09669	7.9
173.13232	11.5
175.11201	5.8
175.14891	7.1
177.12602	5.7
179.08580	6.9
181.10094	15.7
183.11681	26.3
185.13283	14.0
187.11197	8.1
187.14879	5.6
193.10132	8.3
195.11700	19.5
197.13254	20.8
199.14745	8.0
201.16478	5.3
207.11668	10.8
209.13214	12.8
211.14859	7.6
221.13197	11.1
223.14883	7.6
225.16422	8.4
250.48114	5.3
257.19073	8.3
259.20584	6.8
273.18488	12.4
275.20248	21.5
291.19550	9.6
292.19858	6.7
365.23303	5.6
515.38428	14.0
572.36481	15.5
589.42389	7.0
607.43542	83.5
733.45728	12.8
751.47479	10.5
769.48761	38.8
770.48846	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	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
55.05515	27.7
57.03421	12.5
57.07066	14.0
61.02921	12.1
64.03062	4.3
64.13780	3.8
65.03924	6.9
67.05501	61.0
69.03427	30.7
69.07067	20.2
71.04996	7.9
71.08629	7.8
73.02908	9.8
77.63964	4.1
79.05492	39.8
81.03410	32.1
81.07060	68.2
81.08355	4.4
83.04984	7.8
83.08612	10.1
85.02885	14.6
89.06033	10.0
91.03935	4.2
91.05485	59.4
93.07030	46.6
95.04960	14.3
95.08606	46.9
97.02884	15.0
97.06548	8.4
97.10152	10.7
99.04429	8.8
105.07014	44.3
107.04946	8.6
107.08589	23.0
108.50054	3.7
109.02886	7.0
109.06544	4.7
109.10148	17.3
111.04401	5.2
111.08051	4.9
115.05460	6.1
117.07043	23.3
119.08566	37.1
121.06464	4.8
121.10136	20.0
123.08043	5.3
123.11700	4.4
125.09595	8.4
127.03928	7.1
128.06210	9.1
129.07002	20.0
131.08575	36.1
133.10155	35.1
135.08032	8.0
135.11688	7.7
141.06970	9.0
142.07707	3.7
143.08568	27.5
145.10114	29.1
146.05888	5.0
147.08096	5.8
147.11684	17.4
149.02328	12.1
149.09590	7.4
154.07776	5.4
155.08577	20.8
157.10121	17.0
159.11662	13.6
161.09650	4.5
161.13257	8.3
163.11223	4.6
166.07782	5.5
167.08524	7.7
169.10159	20.7
171.11700	17.5
173.13235	10.3
179.08539	8.3
181.10104	18.4
183.11714	22.7
185.09721	5.6
185.13264	15.0
187.14836	9.2
193.05031	7.8
193.10199	6.8
195.11699	13.9
197.13249	18.3
199.14828	9.0
205.10234	5.6
207.11888	4.7
209.13220	12.4
211.14745	7.7
213.16335	6.4
221.13313	6.2
223.14832	5.2
227.20052	100.0
228.86671	5.0
233.13228	5.9
237.16347	7.1
257.19016	5.6
259.20398	5.9
271.20377	5.1
273.18240	4.2
275.20007	11.4
301.21829	5.3
308.75378	5.1
313.21677	4.6
349.23871	4.9
515.38922	6.4
607.43475	62.0
625.44153	7.2
649.46014	4.2
705.44611	4.9
751.46814	5.0
769.48663	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	769.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.8
55.05508	23.6
57.03434	9.1
57.07072	3.0
61.02921	9.4
65.03932	15.4
67.05503	47.0
69.03427	19.9
69.07069	18.9
69.66413	12.8
71.04980	5.3
73.02913	4.7
79.05487	40.8
81.03418	28.2
81.07052	48.7
83.04975	7.9
83.08622	8.5
85.02901	11.9
85.06541	3.8
86.99507	1.8
91.03932	5.8
91.05476	46.5
93.07035	38.8
94.72041	1.8
95.04979	12.7
95.08602	34.6
97.02880	14.8
97.06522	4.1
97.10135	4.8
98.21443	3.4
99.04433	4.7
99.08054	2.0
101.02391	3.2
103.05466	2.8
105.07023	39.8
107.04942	8.0
107.08586	21.7
109.02875	5.7
109.06509	5.9
109.10162	14.1
111.04456	3.5
111.08099	3.5
115.05456	4.3
117.07011	19.4
118.05188	1.6
119.08574	25.5
121.02885	3.6
121.06513	4.3
121.10133	17.5
123.08025	4.5
123.11723	4.2
125.09627	3.0
127.03867	5.8
128.06226	6.4
129.05473	2.9
129.06984	15.9
131.08577	26.6
133.06499	2.2
133.10109	20.8
135.08031	4.0
135.11693	9.5
137.09633	3.4
139.03882	5.4
141.06985	6.7
142.07834	3.5
143.08551	17.5
145.10107	20.8
147.04393	2.7
147.08080	4.4
147.11688	11.6
149.02342	94.4
149.03418	7.8
149.09613	4.4
149.13245	5.4
150.02689	2.7
151.11208	1.8
153.07008	3.2
154.07776	3.0
155.08540	15.7
157.06494	3.2
157.10141	14.0
159.08017	2.8
159.11679	13.7
161.13248	7.2
163.11235	2.9
163.14816	2.1
165.07024	2.9
166.07790	3.2
167.08545	7.0
168.09392	2.6
169.10104	14.8
171.11656	13.1
173.04419	9.6
173.09676	2.6
173.13211	10.7
175.11098	1.9
175.14825	2.2
177.12732	2.9
178.07733	1.9
179.08578	5.3
180.09303	2.3
181.10124	14.5
182.10721	1.8
183.11693	12.9
185.09605	1.9
185.13261	9.7
187.14810	5.5
193.04948	100.0
193.10124	6.8
194.05344	6.7
195.11678	12.0
197.09628	2.0
197.13223	11.5
199.14763	4.3
201.16312	2.9
205.10172	2.7
207.11734	6.0
207.13583	1.8
208.12468	2.4
209.13171	11.5
211.14777	4.3
213.16335	3.7
218.00937	2.1
221.13266	6.9
223.14818	6.7
225.16391	2.8
227.20053	7.1
233.13200	2.7
235.11078	2.4
235.14857	3.1
237.16418	3.5
239.18018	2.4
241.19504	2.2
247.14694	3.0
249.16510	3.1
251.18042	2.3
253.19650	2.0
257.18912	3.4
259.20609	5.7
261.22253	1.9
265.19534	2.2
275.19962	11.1
293.14438	1.7
313.21841	2.0
315.23090	2.3
333.24374	1.7
337.21640	2.1
337.25275	2.2
339.22781	2.4
341.06586	4.8
351.23172	3.8
367.22421	2.4
385.09320	4.4
391.29941	2.0
398.74374	2.0
399.00757	1.9
459.27225	3.1
464.63367	1.6
504.13678	1.8
513.35785	4.0
515.38873	3.1
533.39746	3.9
537.35693	2.6
589.42175	2.6
605.41028	2.7
607.34113	3.8
607.43518	62.2
608.43451	3.4
625.44226	3.8
733.46100	4.0
751.47150	7.6
769.16980	7.1
769.48676	26.6
770.17499	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	767.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
56.00647	2.6
57.03429	5.9
61.02931	5.1
67.05501	29.4
69.03417	13.0
69.07066	15.7
69.56038	3.2
70.63295	6.8
70.63662	6.6
73.02917	20.7
79.05479	18.3
81.07058	44.7
83.08612	11.6
85.02901	27.3
91.05470	17.6
93.07040	36.1
95.01337	32.9
95.05002	5.1
95.07990	5.2
95.08599	89.8
97.02879	26.2
97.10179	5.8
105.07022	37.1
107.08587	64.4
109.06512	5.6
109.10153	61.9
111.08064	18.2
111.36555	3.2
113.02306	4.8
114.28693	3.4
115.03942	11.8
119.08594	48.0
121.10138	40.0
123.11696	21.9
131.08545	10.6
133.10130	40.6
135.11681	36.8
137.13249	5.7
139.11212	7.0
140.65962	3.0
141.01816	73.1
141.07077	3.0
141.19321	3.1
145.10132	17.4
147.11703	33.3
149.13239	32.1
151.11192	5.1
159.02899	13.8
159.11705	22.6
161.13232	30.9
163.11150	4.5
163.14833	22.5
169.10207	4.1
173.13231	15.8
175.14862	22.1
177.04001	4.0
177.16417	23.1
185.13197	5.4
186.86917	3.0
187.14757	15.6
189.16376	28.1
191.18022	10.1
193.15884	4.6
195.17482	10.1
199.14832	4.7
201.16385	22.7
203.17957	40.6
205.15897	6.3
205.19450	6.3
207.17461	13.3
213.16231	4.4
215.17964	17.7
217.19479	24.9
219.17513	10.7
221.19011	14.8
227.17978	6.7
229.19478	21.9
233.19026	11.9
243.20950	7.4
247.20630	14.9
255.21133	5.5
257.22665	6.7
259.20627	5.5
269.22641	4.6
365.32059	5.9
383.33090	9.8
405.34937	18.5
411.36249	7.1
423.36169	100.0
441.37259	85.6
498.71106	3.3
529.32385	3.0
599.39185	11.4
652.98926	3.5
767.41687	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	767.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	60.1
57.81111	2.9
66.34293	2.5
70.05618	2.9
70.98125	3.3
71.55808	4.4
71.56216	5.5
72.87599	2.6
74.97605	7.5
84.96021	19.5
87.09273	3.2
97.02862	4.7
98.97575	66.3
102.97076	6.2
110.97559	16.5
116.98601	63.9
117.03396	5.9
119.04939	6.2
128.98592	41.2
134.99654	38.7
140.98622	6.0
143.00156	11.6
145.01825	5.5
145.02859	21.9
145.03828	3.6
146.99655	54.8
147.04395	19.1
149.05911	3.5
152.98598	3.4
153.00703	4.0
158.01241	3.3
158.99661	35.4
161.01228	35.9
162.99107	3.4
165.00693	9.1
170.99614	22.1
173.01228	4.8
174.99170	7.3
177.00710	42.7
177.02206	4.6
177.05463	30.9
179.02281	7.1
182.99768	13.9
186.99156	4.4
189.00717	49.6
190.98642	3.0
193.00244	7.2
193.01904	3.4
195.01738	4.5
201.00681	78.6
202.95436	3.3
205.00203	7.1
207.01715	6.9
210.01988	3.6
213.00766	5.5
219.01758	79.6
221.01279	7.0
225.04373	12.9
231.01756	6.5
233.01233	6.5
235.99861	4.9
237.02827	40.4
239.02264	7.3
242.03400	4.4
243.01707	25.3
243.05457	8.3
248.99182	9.9
250.01518	3.9
251.02232	26.3
254.01019	4.8
261.02817	96.7
267.00317	8.8
268.02588	3.3
269.03323	73.7
272.02136	4.4
273.02820	3.5
275.02271	4.7
279.03882	61.6
283.04868	6.4
283.19489	3.1
287.04395	100.0
291.00256	9.3
291.03931	19.1
292.04904	3.7
293.03281	6.4
302.05493	9.1
309.01270	4.7
311.04440	28.7
315.01883	5.0
321.01315	2.5
321.04895	50.2
329.05429	12.2
331.03439	3.5
333.05273	4.9
335.04602	5.2
341.05249	4.1
349.04434	8.1
351.05972	8.7
353.05362	8.4
381.07037	8.6
393.03781	11.9
395.06412	7.0
399.07553	4.9
407.02911	4.4
411.04330	9.5
413.07605	19.3
416.06464	4.5
425.04041	8.8
437.07544	13.4
443.04926	12.4
455.07056	46.2
457.08774	3.5
467.04291	5.8
485.05765	3.8
493.08627	8.2
495.08096	7.8
497.05847	4.8
511.09598	8.3
527.06268	4.2
551.06232	3.8
555.08569	11.0
569.07916	11.6
573.09766	16.7
575.12915	48.5
587.09137	11.9
635.44739	3.5
657.13226	20.4
749.13751	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	766.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
56.06135	1.1
57.03431	2.4
57.07074	1.5
65.55947	1.0
67.05499	9.8
68.99802	1.9
69.03416	4.6
69.07069	8.4
69.93169	6.7
71.01357	5.2
73.02918	3.1
75.04477	1.8
79.05495	6.6
81.07055	24.5
81.66956	1.2
83.08607	2.6
85.02902	30.4
87.00828	12.2
91.05479	8.6
93.07038	16.4
95.01328	12.6
95.04949	2.4
95.08601	44.4
97.02886	3.7
97.06516	2.1
97.10158	3.1
98.21449	1.6
99.00869	1.1
101.02357	1.8
103.03937	1.9
105.01866	6.7
105.06319	1.6
105.07025	27.7
107.08586	28.7
109.06520	1.7
109.10157	16.5
111.08057	4.0
113.02364	13.2
117.07021	3.8
119.08576	44.1
121.10142	19.8
123.08048	1.9
123.11712	8.6
125.09680	1.0
129.06992	1.8
131.03395	12.4
131.08551	11.8
133.10123	33.6
134.10478	1.4
134.63605	1.1
135.11694	10.5
137.09637	1.3
137.13254	2.8
141.01816	33.1
143.08522	2.7
145.10120	28.3
147.11682	21.4
149.13257	14.3
153.09084	1.6
157.10129	4.4
159.02875	12.7
159.11670	14.4
161.09608	2.8
161.13242	24.8
163.14810	17.8
165.09123	1.2
170.10869	1.3
171.11729	2.7
172.12531	1.1
173.13254	12.9
175.14809	27.1
175.16263	1.5
177.03944	2.7
177.16382	14.4
179.10594	1.8
180.73419	1.2
183.11658	2.6
184.07303	1.4
185.13275	3.5
187.14815	53.7
188.15198	1.7
189.16379	60.0
191.14267	5.6
191.17931	4.9
193.12285	1.2
193.15863	2.1
199.14807	3.9
201.16379	35.8
203.17949	18.5
205.15860	1.5
207.17421	8.5
211.14864	1.4
213.16412	5.1
215.17924	8.0
216.81610	1.3
217.03532	2.2
217.15919	2.4
219.13919	1.4
219.17468	1.4
221.15370	6.9
227.17990	3.7
229.19444	5.8
231.17429	2.7
233.15453	3.9
233.19017	1.5
235.16898	6.3
239.17961	2.8
241.19510	3.4
245.02907	9.9
247.16942	11.4
247.19354	1.2
247.20543	1.9
249.18526	10.1
253.19606	2.5
256.32657	1.0
261.18573	11.1
263.03970	7.9
267.21249	2.0
275.20001	3.4
281.22623	3.5
282.23474	1.2
285.18588	1.4
303.54971	1.1
341.24921	1.8
377.31995	12.4
387.30753	1.5
395.33096	28.4
397.34692	2.5
405.31476	12.1
423.32550	100.0
424.32919	5.0
425.34073	1.6
433.31055	2.4
434.44781	1.2
441.33655	40.2
451.32083	10.7
469.33197	16.2
667.34338	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	766.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05503	5.0
57.03437	3.4
60.02232	1.3
62.04425	1.5
67.05509	11.6
69.03429	3.2
69.07056	5.1
70.17162	1.5
71.01342	6.4
71.58029	2.4
79.05491	5.4
81.03411	1.6
81.07050	26.3
83.08597	2.1
85.02904	67.2
87.00822	17.9
91.05461	10.8
93.07035	16.5
93.08401	1.4
94.93089	1.6
95.01324	6.8
95.04957	3.5
95.08607	41.9
97.02882	6.6
97.06521	2.8
97.10155	2.8
105.01861	6.1
105.07025	28.2
106.07407	1.6
107.08598	27.5
109.10140	16.7
111.08052	2.8
113.02364	14.4
117.07050	3.0
119.08571	38.6
121.10151	16.6
123.08094	2.7
123.11732	7.2
127.03800	1.6
129.07021	1.8
131.03419	12.3
131.08560	17.7
133.10124	30.1
135.11673	12.3
137.13249	3.0
141.01814	16.8
143.08611	4.2
145.10118	31.3
147.08040	1.8
147.11678	17.7
149.13269	13.2
157.10106	3.4
159.02905	12.6
159.11668	14.7
161.13249	19.0
163.14799	16.1
171.02885	5.8
171.11734	2.8
173.13234	13.1
175.14824	23.4
177.16396	10.5
182.08852	1.7
185.13300	2.6
187.14813	61.9
189.12834	2.1
189.16377	50.6
189.18109	2.6
191.14285	2.2
191.17879	3.8
197.13255	1.8
199.14870	3.9
201.16386	29.3
203.17946	16.9
207.17468	4.0
211.14854	1.7
213.16377	5.6
215.17963	6.6
217.03502	2.1
217.16006	2.8
221.15341	6.4
225.16399	2.7
227.01793	2.2
227.17981	3.9
229.19424	2.8
232.35103	1.5
233.15253	1.6
233.19012	1.7
235.16982	4.9
239.17920	2.0
241.19537	3.7
245.02960	11.5
247.16928	10.2
249.18513	10.1
261.18457	7.8
263.03992	21.7
267.20993	3.2
275.20074	4.1
281.22525	2.9
327.23172	2.6
353.39261	1.5
377.31973	10.3
387.30289	2.1
395.33084	19.2
405.31482	10.1
423.32547	100.0
424.32770	3.9
425.33832	2.1
430.85870	1.7
433.31039	1.9
441.33591	25.2
451.32019	10.0
469.32980	14.6
667.35327	2.4
766.44403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
57.03429	2.8
61.02924	6.6
67.05508	6.3
69.03426	4.5
69.07080	2.6
70.83842	2.6
71.04995	1.0
73.02913	5.3
79.05498	4.4
81.03423	3.2
81.07054	6.5
91.03947	4.2
91.05465	4.1
93.07042	4.9
95.04979	0.8
95.08602	5.2
97.02875	4.2
99.04449	1.3
101.02386	2.5
105.07037	2.4
107.08585	3.8
109.02908	1.6
109.10147	1.7
119.08535	1.1
121.10143	4.2
127.03924	2.8
131.08595	1.1
133.10175	1.7
135.11694	0.9
145.13887	0.9
182.66058	0.8
185.04300	1.1
213.43045	1.1
224.70695	0.8
243.08522	2.5
267.15826	0.9
269.13626	1.6
269.50790	0.9
335.25793	1.0
443.18555	4.9
469.20786	1.4
487.21640	4.4
519.29492	8.6
591.31403	0.8
630.61298	0.9
721.42065	1.2
747.43408	3.1
765.43799	100.0
766.43225	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	765.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22482	1.0
57.79047	1.0
65.03928	1.1
67.05492	1.5
67.65764	0.9
70.89332	1.3
70.89655	1.5
75.46083	1.0
79.05485	6.0
85.02877	1.2
89.03850	1.2
90.29549	0.9
91.05466	4.0
93.07030	4.4
94.06555	7.8
95.04977	2.5
103.05475	5.1
105.05760	1.4
105.07009	1.0
106.06530	5.9
107.07356	1.7
108.04479	1.2
108.08118	10.6
110.06049	2.2
110.09741	1.1
114.99044	1.0
116.04925	1.2
118.06561	2.5
120.04448	4.5
120.08099	31.5
122.06020	23.7
122.09669	2.1
124.07592	3.1
132.08086	1.7
133.16534	1.1
134.05998	2.5
134.09685	1.9
136.07573	16.0
138.05516	2.8
138.09135	2.4
146.06009	19.0
146.09636	2.1
148.07564	69.7
150.09134	9.3
152.07066	13.6
158.06004	1.4
160.04044	1.2
160.07578	3.3
162.05540	2.6
162.09091	1.7
164.07059	13.5
166.08626	37.7
172.03935	13.7
174.05540	1.6
176.07054	1.4
178.08618	1.6
180.10144	1.1
186.05585	1.4
190.04964	12.5
192.06497	1.7
192.10161	1.2
196.09886	2.1
197.10733	4.0
198.11539	5.4
199.12297	2.0
201.87047	1.1
204.04657	2.1
204.06538	21.1
206.08107	1.5
207.09039	1.6
208.09866	2.4
209.10757	3.8
210.11534	4.0
211.08516	1.6
211.12274	9.0
212.09396	1.7
212.13083	2.6
213.13934	1.1
218.08144	3.2
220.09769	1.3
221.10722	1.2
222.11458	1.6
223.12202	8.1
224.09276	4.1
224.13168	1.8
225.10242	6.2
225.13885	2.0
226.11002	4.2
227.11783	5.6
234.11598	1.4
235.08665	3.7
235.12314	3.1
236.09442	4.6
237.10251	10.0
237.13861	1.5
238.10933	9.1
239.11807	13.3
240.12453	1.2
241.13409	2.1
246.07504	1.5
248.09500	3.9
249.10248	15.9
250.10976	10.4
251.08061	1.3
251.11787	20.8
252.08670	6.2
252.12569	4.2
253.09747	3.8
253.13315	9.0
255.11317	4.2
256.12048	1.8
262.11105	2.4
263.07870	1.4
263.11789	33.3
263.14465	2.1
264.08917	4.2
264.12390	8.7
265.09756	8.3
265.13354	15.3
266.10529	5.0
266.14005	1.1
267.11292	11.2
269.12833	4.0
271.10687	1.8
271.14554	1.3
273.12332	1.1
275.11823	3.1
277.09686	5.7
277.13028	1.9
278.10495	6.2
279.11267	35.7
280.12070	3.3
281.12833	12.8
282.10065	2.3
283.10818	5.8
283.14264	2.3
284.11508	3.8
285.12323	15.3
287.13861	3.6
291.11252	28.0
292.12039	7.3
293.09634	1.5
293.12790	21.6
295.10739	4.7
296.11609	2.3
297.12311	27.1
298.13080	5.0
299.13904	9.8
303.13678	1.4
305.08887	1.8
305.15067	2.1
307.10712	7.6
307.14337	1.9
309.12323	23.5
310.13046	1.7
311.10260	2.6
311.13931	10.8
313.15338	1.8
315.13562	1.4
316.14679	1.3
319.10760	22.7
321.12424	5.7
323.10345	7.0
323.13516	1.5
323.16266	1.5
324.11072	1.6
325.11777	21.3
325.15433	1.7
327.13495	4.0
328.14127	2.1
330.15964	1.3
337.11786	80.4
338.12103	1.6
339.13391	9.7
341.15073	2.4
342.12314	1.6
344.17795	1.4
351.13556	3.3
355.12860	3.9
356.13718	2.1
357.14432	8.5
358.15460	1.5
358.19379	2.0
359.12280	2.6
367.12830	1.7
369.14615	7.3
370.15457	1.8
371.16156	1.9
372.17072	2.5
376.19946	2.0
383.12460	3.1
385.14090	5.7
386.18820	1.4
398.15002	1.5
399.15771	2.1
401.13394	16.8
404.20010	2.6
411.11826	9.9
412.16632	1.5
416.15878	3.1
418.21466	1.5
428.19440	1.5
429.12830	2.8
430.17529	2.2
432.19113	1.4
443.14197	3.1
444.19086	3.3
446.20743	2.2
458.16907	2.0
459.13687	1.2
464.17236	2.5
464.22720	1.8
472.18536	8.7
474.20239	2.2
476.18143	2.8
482.18961	2.0
488.21988	3.7
490.19318	5.2
494.19016	1.5
504.21274	2.2
506.22977	9.8
514.20959	1.8
532.20795	15.2
534.21765	1.2
536.20160	3.4
548.20361	5.2
550.21820	47.9
551.22272	1.8
558.18622	1.3
564.22864	2.3
565.24139	1.4
576.19745	100.0
577.19830	3.4
578.21405	3.1
583.25287	1.4
593.23944	1.2
594.20477	3.0
608.22333	23.2
608.31757	0.9
609.22968	3.9
611.24969	2.8
629.25635	1.4
671.27020	1.5
673.24335	1.6
689.28088	2.6
697.24829	5.6
715.26215	5.3
729.29681	1.1
733.26819	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61951	1.0
55.01867	2.2
65.03927	2.9
67.05487	1.5
70.27927	1.4
70.28333	3.3
73.67368	0.8
79.05485	3.0
81.03385	2.2
81.07036	1.2
81.29711	1.0
85.02886	3.9
91.05476	5.4
94.04189	1.8
95.04958	4.3
97.06504	1.3
103.05466	16.5
105.03395	1.6
105.07044	3.0
107.04964	3.8
109.06512	1.7
115.05453	3.1
117.06979	2.5
118.04153	3.0
119.04964	6.0
120.08002	0.9
121.06486	2.4
122.03649	3.4
123.04419	1.6
125.05985	2.4
129.07007	2.2
130.04091	1.3
131.04919	31.5
133.02838	4.5
133.06467	3.9
135.08060	1.1
136.06509	0.8
136.07578	3.6
137.05971	70.3
139.07533	1.1
141.05498	2.6
143.04869	2.4
145.06526	4.8
146.03679	1.7
147.04428	6.3
147.08002	1.4
148.05157	7.1
149.05943	2.9
151.03900	78.6
151.04947	3.8
153.05460	2.8
155.07043	1.2
157.06470	1.8
159.08043	1.3
160.05096	1.8
161.05969	4.9
163.07530	23.1
165.05515	3.9
167.07016	10.2
173.06012	4.0
175.07539	8.5
176.04675	2.5
177.05482	3.4
177.09079	1.1
179.07047	6.8
181.04944	18.1
181.06503	1.1
187.07526	3.8
189.09033	2.1
191.07021	100.0
192.07541	1.4
193.04910	1.1
193.08601	2.7
195.06544	1.7
197.06169	0.9
201.05424	1.2
203.07039	6.1
205.06708	1.8
205.08620	3.8
207.10158	1.9
209.08089	4.5
215.06978	1.4
217.08582	2.2
219.10077	1.1
227.07173	0.9
233.08034	4.4
235.07555	1.6
235.09633	4.6
237.08992	1.4
245.08054	1.6
249.09184	1.7
256.64621	0.9
263.06589	1.9
263.09146	23.8
265.09448	2.0
266.09915	1.8
267.10635	1.4
277.08591	1.7
291.10312	1.0
293.08920	2.0
294.09253	1.4
295.10336	2.2
297.11221	1.4
307.09631	1.8
309.11206	1.9
322.08920	1.6
325.10886	1.7
327.12308	5.2
329.13718	1.4
337.10403	1.3
339.09586	3.6
340.10071	3.4
341.13937	1.3
351.12143	1.1
355.11688	10.7
355.15616	1.4
357.13470	1.5
359.15018	1.1
365.13721	1.1
369.13367	6.2
387.14362	45.1
388.14819	1.3
389.13367	2.3
390.13684	2.9
473.41885	1.1
517.18585	1.6
549.20471	1.3
652.92804	0.9
714.25659	1.1
764.28424	1.2
779.25024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.02140	0.8
62.87141	0.7
65.03934	2.4
66.04726	0.7
67.05502	1.7
69.03421	2.2
69.15207	0.8
69.67116	1.0
77.97714	0.8
78.73183	0.9
79.05472	1.1
81.03397	1.8
85.02892	3.5
91.05484	5.7
93.07063	0.8
94.04184	1.8
95.04971	4.3
97.02891	0.9
98.21567	1.3
98.98408	0.8
103.03882	1.2
103.05461	18.6
105.07020	2.5
107.04939	3.6
108.02064	0.9
109.06490	1.7
111.04427	1.1
115.05452	3.6
117.06997	4.5
118.04163	3.2
118.13329	0.8
119.04945	5.3
120.08120	1.1
121.06500	2.4
122.03622	4.2
123.04424	1.5
125.05990	2.9
127.03881	0.9
129.06976	1.5
130.04121	0.9
131.04918	33.2
132.05762	1.1
133.02840	4.1
133.06473	3.8
135.04509	0.9
135.08037	1.3
136.07520	1.8
137.05968	70.6
139.07426	0.8
141.05476	2.0
143.04919	2.4
144.05748	1.1
145.06470	4.7
146.03647	1.5
147.04391	6.3
148.05174	8.2
149.05927	2.2
151.03894	79.8
151.04921	3.9
153.05457	2.6
157.06482	1.0
159.04460	1.2
160.05196	1.4
161.06003	4.4
163.07524	22.6
165.05463	4.3
165.09171	1.6
167.07028	11.0
171.06517	1.3
173.05956	3.7
174.06744	1.0
175.07571	7.2
176.04718	1.5
177.05460	3.6
177.09189	1.3
179.07022	6.2
181.04941	19.9
181.06500	1.3
187.07571	3.1
189.05460	1.6
189.09111	3.2
191.07016	100.0
192.07419	1.0
193.04909	1.2
193.08566	2.0
201.05437	1.0
203.07013	3.8
204.06447	1.0
205.06743	1.9
205.08658	4.0
207.06480	0.9
207.10088	0.9
209.08038	4.5
217.08548	1.6
219.10132	1.8
221.08122	1.0
223.09698	1.7
227.07210	0.8
233.08086	3.5
235.07532	1.4
235.09608	4.3
237.09131	1.9
259.09601	1.0
263.06589	2.0
263.09143	21.3
265.08817	1.1
266.09811	1.1
277.08600	1.7
281.11798	1.1
293.08740	2.1
294.09488	2.0
295.09692	1.8
296.11194	0.9
299.09027	1.0
307.09448	1.1
309.11182	2.3
325.10828	2.2
327.12280	3.7
329.13803	2.2
337.10709	1.8
339.09293	1.2
339.12915	1.3
340.10040	2.0
351.12369	2.2
355.11700	10.5
357.13519	2.3
359.14792	1.9
369.13306	6.2
387.14362	53.4
388.14078	1.0
389.13303	1.9
390.13834	1.8
517.18323	2.3
549.20569	1.2
714.24200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.3
55.95108	1.1
56.85502	0.9
57.03426	1.9
64.88992	0.9
65.03935	23.5
67.05497	2.4
69.03433	1.6
70.34498	4.3
71.04969	1.4
79.05480	2.3
81.03403	2.1
81.07067	0.9
82.04186	5.6
85.02901	3.9
91.05463	8.1
93.03397	5.9
93.27666	1.1
95.01317	4.2
95.04958	5.1
97.02884	2.0
97.06522	2.8
98.21459	1.3
98.79208	0.9
103.03983	1.0
103.05437	2.3
105.07014	2.0
105.66167	1.0
107.04934	4.3
108.02111	1.7
110.03659	23.4
111.04433	34.8
115.05460	2.4
119.04929	4.7
119.08575	1.2
121.02846	17.5
121.06500	2.7
122.03699	1.9
125.05985	29.3
129.07037	1.8
131.04919	4.2
132.05688	1.4
133.02846	5.6
133.06496	3.5
135.04379	1.2
137.05965	15.7
138.03082	3.1
140.37926	1.1
144.05721	1.4
145.06468	3.7
146.07323	1.1
147.04396	4.7
147.08075	1.8
148.05150	1.7
149.02263	1.2
149.05948	3.4
151.03909	1.5
151.07532	3.8
153.05453	100.0
154.05795	1.5
159.08009	4.7
160.05154	1.8
161.05984	5.4
163.07501	2.1
165.05502	1.1
165.06888	2.1
165.74318	0.9
167.07030	14.8
167.08440	2.0
172.05142	1.4
174.06755	1.3
175.07510	7.4
177.05434	3.3
177.06943	1.0
179.06985	3.3
179.08472	1.9
181.04945	4.2
181.06383	2.0
182.07265	1.0
186.06706	1.5
187.07632	5.6
189.05423	1.9
189.06975	1.3
190.07675	1.4
191.06961	3.0
191.08519	2.7
193.06503	1.0
195.08063	3.3
197.09557	2.2
199.07504	1.8
203.06906	1.4
204.07785	1.4
205.06505	2.5
205.08554	2.0
206.07198	1.8
207.08008	2.7
208.08881	2.2
209.07944	2.0
209.09651	1.7
210.06741	3.1
211.07536	2.9
215.06996	1.2
216.07751	3.8
217.08531	1.2
218.07310	2.5
219.07999	6.1
220.08774	2.7
221.05952	2.8
221.09517	2.1
222.06741	1.4
223.07513	5.5
224.08212	1.4
225.09114	4.6
226.06229	3.9
229.08627	2.8
233.05745	0.9
234.06731	1.8
235.07538	3.5
236.08359	4.9
237.09102	2.6
238.06255	1.6
239.07016	6.2
239.10660	1.6
241.08707	1.4
247.07468	2.2
247.09677	15.2
248.08109	1.3
249.09067	2.9
251.07004	2.4
251.10719	6.9
253.08575	14.2
254.09386	4.5
255.10141	1.3
261.05463	1.2
261.09097	1.6
262.06244	1.2
263.07022	2.2
264.07751	5.5
265.08630	5.4
266.09302	2.5
267.06558	1.8
267.10080	3.9
269.11710	6.6
275.07034	2.0
277.08603	1.9
278.09393	1.9
279.10068	5.0
281.08096	3.3
281.11679	1.7
282.08911	4.0
283.09641	3.4
290.09280	1.0
291.10214	1.2
293.08307	1.6
294.08752	2.8
295.09512	2.9
296.10181	1.1
297.11200	10.3
298.11795	1.4
304.07166	1.1
307.09586	16.6
309.07629	1.4
309.11169	3.2
311.09018	2.5
319.09634	1.7
325.10678	54.9
326.11298	2.9
327.12234	2.1
329.13754	1.7
337.10605	2.6
339.12262	34.0
339.16345	1.9
340.12894	3.2
341.13782	6.3
345.04633	1.2
351.12109	6.8
355.11719	1.4
357.13303	57.6
358.13672	1.6
369.13330	7.7
370.13849	1.7
387.14377	3.8
415.14136	1.9
429.94220	1.0
489.18777	2.4
499.17459	1.8
632.14105	1.0
717.22009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.1
56.85634	0.9
56.89676	0.9
57.03426	0.9
58.22482	0.9
59.80856	0.9
65.03937	21.6
67.05484	3.1
69.03428	1.1
70.06573	1.1
71.04992	1.8
79.05491	2.1
80.01190	1.0
81.03407	2.3
81.07052	1.2
82.04195	3.5
85.02892	3.6
91.05466	6.4
93.03391	5.1
93.07030	1.1
95.01334	3.4
95.04955	3.4
97.06514	1.5
98.21539	1.5
103.05447	2.1
105.03383	1.2
105.07053	3.4
106.04203	1.7
107.04943	3.7
108.02108	1.4
110.03658	21.3
111.04433	34.8
115.05455	2.7
117.03433	0.9
119.04906	4.8
119.08534	1.0
121.02865	16.4
121.06500	1.9
123.04469	1.7
125.05988	23.9
128.06158	1.4
129.07016	1.7
131.04929	2.8
133.02834	5.6
133.06480	2.6
137.05969	16.9
137.06958	1.7
138.03114	2.9
142.65714	0.9
145.02797	1.1
145.06468	2.2
146.07298	1.9
147.04381	4.7
147.08006	1.8
148.05193	1.1
148.07578	0.9
149.05983	4.2
149.88121	0.9
151.03815	1.3
151.07558	3.2
153.05461	100.0
155.04852	1.1
157.06435	1.2
159.08070	5.3
161.04807	1.0
161.05913	5.6
163.03838	1.4
163.07524	1.3
165.05542	1.4
165.07028	2.1
167.07039	14.8
174.06747	1.5
175.07510	8.1
177.05446	3.5
177.06827	1.4
179.07028	4.3
179.08464	1.7
181.04950	6.0
181.06383	1.7
186.06842	1.3
187.07471	4.6
189.05293	1.1
189.06911	1.1
190.07768	1.1
191.06958	2.0
191.08560	2.7
194.07271	1.4
195.08066	4.0
197.09621	1.4
199.07573	2.8
202.07715	1.1
203.06949	1.4
203.08638	1.4
205.06534	1.0
205.08557	2.4
207.08040	2.7
208.08792	1.6
209.06046	1.1
209.08069	2.9
209.09834	1.6
210.06786	2.0
210.14928	1.4
211.07460	2.0
216.07814	4.8
217.08559	1.4
218.07242	1.7
219.08170	4.9
220.08900	3.1
221.09569	1.7
223.07574	3.4
224.08392	2.2
225.09132	3.1
226.06212	2.9
226.09846	1.2
229.08623	3.0
231.08224	1.7
234.06773	2.1
235.07547	3.9
235.09685	1.3
236.08301	5.0
237.09045	4.2
238.06262	1.5
239.06952	4.9
239.10675	2.4
240.07791	1.2
246.06723	1.0
247.07443	2.5
247.09663	14.0
248.08234	1.7
249.09099	3.2
250.06119	1.3
251.07018	2.7
251.10634	6.7
252.07910	2.1
253.08627	12.3
254.09283	3.6
255.06551	1.3
255.10115	1.2
262.10028	1.1
263.06992	3.0
264.07828	6.3
265.08627	4.1
266.09341	2.3
267.10266	2.8
268.10812	0.9
269.11633	6.7
275.06906	2.1
276.07751	2.4
277.08551	2.6
278.09460	1.6
279.06952	0.9
279.10123	5.1
280.10654	1.5
281.08051	3.0
281.11615	1.8
282.08801	4.7
283.09647	2.9
291.10010	1.7
292.07492	1.4
292.10736	1.2
293.08237	2.0
293.11642	1.0
294.08749	2.7
295.09619	2.8
297.11212	8.1
299.12646	1.4
306.08954	1.0
307.09634	15.5
308.10364	2.7
309.11240	2.1
311.09305	2.0
311.12799	2.3
314.02090	1.1
319.09540	1.2
321.11169	2.0
324.09543	2.0
325.10690	53.8
326.11273	3.1
327.12131	1.4
329.13824	1.2
337.10718	2.8
339.12241	29.4
340.12762	2.0
341.13876	5.7
342.10913	1.3
346.04828	1.9
351.12213	6.8
353.13956	1.1
355.11691	2.1
357.13318	56.0
365.14154	1.3
369.13333	8.5
387.14313	4.3
395.60217	1.2
415.13556	1.7
489.18909	1.5
499.17358	1.5
679.50897	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52453	0.6
55.01860	1.8
57.03414	0.8
65.03935	2.0
67.05495	1.7
68.44274	0.7
69.03427	1.7
70.06589	1.4
71.29066	0.8
71.57243	1.2
79.05479	2.7
81.03408	2.8
81.07029	1.0
84.10507	0.7
85.02898	4.4
91.05479	5.6
93.07046	0.6
94.04173	2.3
95.04967	4.3
97.02876	1.1
97.06521	0.8
103.04790	1.5
103.05457	20.9
104.06289	0.8
105.03378	1.2
105.06991	3.4
107.04937	3.0
108.02074	1.3
109.02816	0.8
109.06485	1.6
110.03651	1.1
111.04453	1.2
115.05458	4.4
117.07012	3.9
118.04141	3.6
119.04932	6.4
121.06501	1.5
122.03645	4.7
123.04418	2.6
125.05970	2.5
127.03891	0.8
128.06229	0.9
129.06979	2.1
130.04135	1.5
131.04921	40.0
133.02829	5.2
133.06464	4.7
135.04381	1.7
135.08026	2.9
137.05969	79.9
139.07469	0.9
141.05440	2.6
143.04881	2.3
144.05630	1.0
145.06458	5.3
146.03654	1.5
147.04425	6.5
147.08141	1.4
148.05174	9.9
149.05968	3.9
151.03894	86.2
151.04973	5.1
151.07535	1.9
153.05441	3.8
157.06454	2.0
159.04393	1.1
159.08139	1.0
160.05203	3.2
161.05966	5.6
162.06766	1.3
163.07539	26.0
165.05435	3.7
167.07037	9.7
171.04410	0.9
171.06557	1.2
173.05998	3.3
174.06688	1.5
175.07518	10.0
176.04666	3.0
177.05423	3.0
177.09027	1.6
179.07018	7.4
181.04953	23.7
187.07521	3.8
189.05457	1.9
189.09081	3.0
190.06227	1.1
190.87422	0.8
191.07018	100.0
193.04951	1.4
193.08586	2.4
195.06584	1.3
201.05519	0.9
203.07018	7.0
205.06696	1.2
205.08603	4.7
207.06395	1.2
207.08203	1.5
207.10107	1.4
209.08070	5.1
217.08641	2.2
219.08231	0.8
219.10136	2.1
223.09671	1.3
225.09206	0.8
231.06380	0.7
233.08037	4.9
234.06691	1.6
234.08774	1.0
235.07487	1.4
235.09647	5.7
237.09148	2.5
245.08086	1.1
247.07510	0.9
249.09044	2.5
263.09155	21.4
265.08630	1.4
267.10141	1.9
276.27921	0.7
277.08582	2.2
279.10089	1.4
293.07977	1.0
295.09686	3.0
297.11383	1.6
299.12875	1.2
307.09460	1.5
309.11206	1.5
314.11740	1.1
314.98105	0.7
325.10727	2.2
327.12296	3.6
329.13815	1.9
337.10681	1.9
339.12430	1.5
341.13873	2.2
351.12186	2.1
353.13708	1.3
355.11679	11.5
357.13364	3.0
359.14655	2.0
365.13965	0.9
369.13400	5.0
380.31464	0.7
387.14362	49.7
413.13751	0.8
473.72723	0.7
517.17957	1.6
549.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.5
56.96553	0.6
68.05010	0.4
69.07052	2.5
69.37927	4.0
70.06586	100.0
71.06913	0.6
78.68726	0.4
79.05489	0.5
80.94495	0.4
82.23697	0.4
84.08138	3.9
86.09699	40.7
86.73985	0.5
87.10069	0.4
91.05472	2.7
93.07053	0.6
95.04942	0.6
97.06541	0.7
97.07625	0.4
98.06041	4.6
98.97580	0.5
103.05467	1.2
105.07024	0.5
105.18237	0.4
109.07619	0.6
109.18072	0.4
112.07612	2.0
115.08675	3.6
116.98635	0.9
120.08092	28.8
121.08434	0.5
125.07111	0.6
126.05510	1.6
130.06537	1.0
131.04926	0.5
136.07570	1.5
137.07088	3.6
138.12770	3.7
140.07057	1.6
147.04387	1.0
148.07599	1.5
149.07018	0.5
154.15971	1.3
160.07570	2.1
163.12344	0.5
165.05499	0.5
165.13873	1.7
171.04416	0.5
174.12798	0.4
175.08708	0.6
177.09105	1.3
179.36049	0.4
181.13382	2.7
182.08197	0.9
183.14917	8.9
186.12825	0.6
188.14301	2.6
189.05475	0.8
189.09024	3.6
191.11754	2.2
193.13412	1.2
194.14146	1.0
202.12271	5.3
206.08093	0.8
209.12830	15.6
211.14442	5.2
213.09232	0.4
214.12349	1.0
219.10112	0.5
220.13268	0.4
231.10129	2.6
231.14935	1.4
233.16446	5.5
248.12784	5.9
250.15488	0.6
253.15347	0.5
259.14511	1.6
261.15988	4.6
265.15463	4.0
269.13110	0.5
275.13959	0.6
276.20688	0.5
278.22324	1.9
285.19452	0.5
287.14111	0.5
304.20071	4.6
322.21198	20.1
356.19629	3.6
361.21204	0.7
362.20865	1.7
372.22882	0.6
375.16840	0.8
390.20078	2.2
393.17926	1.2
412.22266	1.3
417.18079	1.0
435.19180	1.2
440.21835	0.7
441.28540	1.3
442.23364	1.1
468.21313	0.5
469.28003	4.2
503.28561	2.9
508.27890	1.4
525.30798	1.3
537.27148	1.8
553.30096	6.4
581.29724	0.9
582.36597	1.2
622.36023	3.1
632.34448	0.5
650.35431	14.5
651.36108	0.9
735.44427	3.5
763.43793	28.3
764.44244	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	763.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01887	0.7
55.05518	1.2
57.03432	1.8
57.07070	0.5
61.02927	6.6
67.05505	6.8
69.03427	3.8
69.07065	1.6
69.41323	5.7
71.04984	1.6
73.02913	4.0
79.05495	3.8
81.03415	2.1
81.07056	5.2
83.08602	0.6
85.02905	6.9
91.03973	4.1
91.05487	2.3
93.07044	3.8
95.08600	3.4
97.02898	6.4
98.21572	1.0
101.02393	1.6
105.07043	1.9
107.08612	2.7
109.02893	0.6
109.10175	1.6
117.07095	0.7
119.08616	1.3
119.54383	0.5
121.10181	1.6
122.94844	0.6
123.11684	1.0
127.03935	1.8
131.08612	1.0
133.10129	2.4
135.11743	1.0
149.13272	0.9
159.11792	0.6
183.13985	0.5
192.96596	0.6
231.37274	0.6
235.85338	0.6
243.08620	1.7
267.15808	1.6
335.25906	0.8
365.71994	0.6
414.68283	0.6
423.66342	0.6
485.23624	5.0
519.29260	9.1
602.82117	0.6
621.46527	0.6
691.15216	0.7
763.46008	100.0
764.46637	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.8
67.05516	2.3
69.43655	10.1
69.44079	4.1
81.07071	2.2
93.07038	1.8
119.53308	1.6
182.06516	1.8
239.28577	1.7
259.12149	2.7
285.10150	2.2
388.35278	1.6
398.68649	1.5
433.40939	1.8
485.16977	7.8
492.26498	1.8
763.40210	100.0
764.40479	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01860	0.8
55.05507	1.0
57.03434	2.9
61.02934	5.3
64.88520	0.8
67.05502	5.0
68.67858	0.8
69.03429	2.4
69.07076	1.9
73.02908	4.7
76.43824	0.8
79.05484	4.3
81.03419	1.7
81.07052	7.6
82.75491	0.7
83.04961	0.8
83.08623	0.9
83.24599	0.7
85.02898	5.4
85.06562	0.8
86.09702	0.9
91.03944	3.9
91.05477	5.4
93.07049	4.1
95.04990	1.1
95.08630	3.3
97.02869	4.7
97.06522	1.3
98.20724	1.7
101.02395	1.7
101.20681	0.7
105.07031	4.5
107.08605	3.0
109.10210	1.2
119.08596	2.2
121.10153	3.1
123.11723	1.6
127.03898	1.1
131.08546	2.0
133.10181	2.2
135.11708	0.8
143.08607	0.8
145.10104	0.9
147.11673	4.1
149.13319	1.1
159.11714	0.9
165.12767	1.2
184.07396	2.3
187.37177	0.8
214.79935	0.7
243.08514	2.3
250.28336	0.7
251.11086	0.7
269.12427	2.6
276.61426	0.9
301.09106	0.9
325.15073	0.9
469.20209	15.4
507.47925	0.9
517.27472	1.0
535.28845	6.5
541.22491	1.1
665.35004	0.9
745.41254	14.6
746.42194	0.9
763.42297	100.0
764.42633	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	763.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01864	2.8
65.03926	1.9
67.05502	3.0
69.27567	14.0
70.06577	1.6
79.05492	8.5
80.05007	4.1
81.07060	2.0
87.04422	1.3
91.05457	6.5
93.03967	1.2
93.07043	10.0
94.06541	5.6
95.04929	3.4
96.08109	2.4
103.05451	8.7
105.05746	2.1
105.06993	1.4
106.06541	1.8
108.04464	4.8
108.08109	10.1
117.07006	1.7
118.06516	3.9
119.07288	2.8
120.04473	6.3
120.08092	52.5
122.06019	14.0
122.09650	2.7
132.08070	1.9
134.05983	2.5
135.04378	1.4
136.07558	14.6
144.04430	2.7
146.05971	2.2
147.62852	1.4
148.07559	100.0
152.07080	2.6
160.03914	1.2
160.07562	3.4
162.05490	1.8
164.07042	3.6
166.08655	6.0
167.07161	1.8
172.03873	2.2
185.07201	2.1
187.08745	1.5
188.07088	2.0
190.04910	3.4
190.08585	1.3
195.09180	2.3
197.07028	1.7
199.08627	6.8
201.06674	1.6
201.10178	1.6
201.63570	1.2
202.27248	1.3
204.06540	4.6
208.09688	1.3
211.08655	7.9
211.12157	2.6
213.06555	6.1
213.10217	4.3
221.10701	2.7
222.07732	1.6
223.08655	7.1
223.12263	2.7
224.09245	2.9
225.06693	7.1
225.10175	10.1
226.10985	2.0
227.08148	4.0
227.11784	3.1
233.10745	1.8
234.07811	1.9
235.08640	5.9
236.09474	3.9
237.10257	11.9
238.10979	3.2
239.08112	5.8
239.11800	4.7
241.09647	3.8
242.08185	1.5
243.11298	2.7
247.08727	1.6
248.09517	2.2
249.10252	19.1
249.12694	2.3
250.10892	7.2
251.08075	9.7
251.11737	23.1
252.08647	13.3
252.12497	4.8
253.09705	6.1
253.13370	2.3
254.10466	1.7
255.07719	1.6
255.11253	3.6
259.10733	2.6
261.10156	3.1
262.11133	2.1
263.08182	3.6
263.11768	7.8
264.12421	1.3
265.09738	7.9
265.13351	3.9
267.07690	2.2
267.11316	6.1
269.09244	2.1
271.10614	2.1
273.12344	3.1
275.11755	2.0
276.11935	2.0
277.09726	8.6
278.10443	2.8
279.11234	10.2
280.12033	1.7
281.09164	5.3
281.12653	2.9
283.10815	8.2
285.08438	1.7
285.12424	5.3
286.10498	1.5
291.11270	4.0
293.09061	4.3
293.12943	2.0
295.10675	4.7
295.14102	1.5
297.12335	5.6
299.13983	2.9
300.11627	1.8
301.12222	2.8
302.09470	1.9
302.12796	2.4
303.13828	2.8
304.10733	1.3
304.14539	1.9
305.09140	4.4
307.10620	2.2
309.12360	8.3
311.14017	3.7
312.11389	2.5
313.12744	2.7
314.13046	5.9
314.16367	1.6
315.10724	1.7
315.13947	1.9
316.11005	1.9
316.14438	6.4
316.17978	1.5
317.11859	2.2
318.12439	3.9
321.12302	1.9
323.10172	7.5
325.11972	2.7
326.12891	3.3
326.16565	2.8
327.13638	6.8
328.10913	2.6
328.14438	3.5
329.11609	3.1
329.15817	1.8
330.12305	9.7
330.16061	3.5
331.13019	2.9
332.13879	3.7
333.14847	2.4
338.12549	1.8
339.13309	3.8
340.14438	3.1
341.12134	2.0
342.12408	5.6
342.16080	2.0
343.13293	4.1
344.13934	9.8
345.14865	3.2
346.11667	2.0
346.15466	3.5
353.11374	1.9
354.12134	3.2
354.16101	3.1
355.13239	3.9
356.13754	6.0
357.14612	5.1
358.11798	3.1
358.15677	7.2
359.16238	2.6
360.13327	4.7
361.14127	2.1
362.15149	1.6
367.12961	1.6
368.13873	2.4
369.14432	3.7
370.11606	1.7
370.15518	3.4
371.12421	5.5
371.16284	3.4
372.13177	5.3
372.17105	4.1
373.14127	4.5
374.14963	2.2
376.16620	1.6
382.15588	4.9
384.12750	1.7
384.17023	5.7
385.15433	1.6
386.14795	7.7
387.15674	4.8
388.12280	2.0
388.16989	6.9
389.13681	5.6
392.15759	1.7
400.16754	11.8
401.13889	4.2
402.14133	2.7
402.18811	2.1
403.15521	4.1
405.16980	1.7
410.14932	5.0
412.16461	3.6
413.13641	1.6
414.14478	3.5
415.15436	2.9
416.15921	12.2
418.17688	13.5
420.15503	3.8
421.16403	1.7
428.16071	14.2
430.17654	16.7
432.15414	2.3
434.17212	8.8
435.17892	1.7
436.18671	1.9
438.14383	3.8
444.15356	16.5
446.17050	20.2
447.16769	2.4
448.18881	1.6
452.17642	1.8
456.15576	14.2
460.18976	1.9
462.16519	29.3
464.18176	2.1
474.16559	57.2
475.17126	2.7
476.18088	2.6
480.17493	6.8
488.18289	3.7
492.17474	11.0
494.19138	16.4
506.19202	43.0
507.19223	3.0
512.20441	11.5
524.20306	42.6
525.20227	2.0
535.23907	1.9
553.24390	1.5
563.23010	1.9
565.23749	1.7
581.23834	7.6
591.22186	5.2
599.24176	2.2
609.23499	16.8
623.24896	4.2
627.24585	9.5
641.26007	14.4
645.25818	1.7
651.24365	6.3
653.22388	1.8
659.26764	5.4
667.23199	2.6
669.25494	18.8
670.25031	1.8
677.21991	4.2
683.26654	4.4
685.25024	10.5
687.26819	6.4
695.23462	12.5
701.27692	4.8
713.24500	36.2
714.24884	1.7
727.25604	5.4
731.25354	14.4
745.26794	3.2
763.36646	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	761.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
57.03433	2.4
61.02916	4.5
67.05511	5.5
67.51310	1.2
69.03429	2.2
69.07070	2.5
70.26295	1.0
71.58062	1.5
73.02911	3.0
79.05496	7.3
79.47359	1.0
81.03409	2.2
81.07041	5.4
85.02912	4.7
86.09695	2.4
91.03947	2.4
91.05471	4.6
93.07040	6.8
95.08612	3.8
97.02901	3.4
101.02335	1.8
105.07021	5.5
105.91649	1.1
107.04980	2.1
107.08610	3.4
117.07005	1.9
118.69293	1.0
119.08572	4.8
121.10155	3.2
129.07010	1.2
131.08595	1.7
133.10138	2.6
135.11673	2.0
145.04936	1.1
145.10074	2.1
157.10193	1.2
161.13226	1.4
163.11234	2.5
184.07324	5.8
227.12799	2.0
243.08430	4.3
249.10962	8.7
276.89789	1.4
301.08957	1.5
305.13672	1.7
467.18732	7.7
535.28534	7.9
539.20605	1.9
704.54193	1.2
761.40692	100.0
762.41034	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.05513	2.1
67.05501	4.0
68.56436	2.2
70.06583	3.3
70.81927	2.3
70.82259	5.6
72.22433	2.1
79.05489	8.5
80.04995	2.8
81.07046	6.2
85.02917	4.4
91.05479	8.9
93.07052	8.5
94.06554	7.6
95.04977	2.8
95.08601	5.4
97.02896	2.9
103.05456	6.0
103.30252	2.6
105.06998	5.0
107.08600	4.3
107.92090	1.8
108.04457	3.7
108.08124	11.6
109.02853	2.3
109.10177	4.7
116.04967	6.0
119.08559	4.4
120.04501	5.1
120.06564	2.6
120.08101	33.0
121.06438	2.4
121.10147	6.0
122.06007	23.1
122.09674	3.8
123.11733	2.5
124.07599	4.4
125.06021	2.6
131.08600	3.4
133.10149	3.5
134.06020	5.7
136.07559	23.5
137.05954	5.7
138.05447	3.1
144.04454	7.8
145.10078	3.4
146.06000	13.7
147.04338	3.8
147.11621	3.2
148.07565	49.2
150.09134	2.9
152.07089	3.5
153.05463	3.3
157.47275	1.9
158.12134	2.1
159.11693	2.3
160.03891	3.2
162.05553	6.9
164.07095	5.6
167.07072	4.9
172.03925	42.7
173.13333	3.6
174.05598	3.1
176.07016	5.1
177.05429	3.7
185.10735	3.1
186.05588	2.2
187.14781	5.9
189.16364	3.8
190.04988	35.6
191.17963	7.6
195.09135	2.2
197.10863	2.2
198.07788	2.2
199.08549	3.0
201.16452	2.0
204.06555	65.6
204.08488	4.2
208.09819	3.4
211.08693	3.2
213.10243	8.6
214.11035	2.5
215.11668	4.4
221.10587	2.1
223.12317	6.5
224.09480	2.2
225.10243	6.5
226.08670	3.9
226.10786	2.4
227.11804	5.6
227.78448	2.0
229.09767	2.4
235.08717	4.5
236.09442	8.2
237.10208	7.2
238.10960	5.4
239.11723	5.0
241.09755	6.0
243.11266	27.8
249.10303	4.7
250.10976	3.6
251.08163	2.0
251.11763	7.4
252.08804	5.8
253.09567	5.1
254.10429	2.1
255.11337	8.7
256.11975	2.8
257.12579	2.1
263.11810	3.6
264.09048	10.0
265.09778	6.3
266.10587	2.6
267.11401	2.6
269.09167	6.6
271.10910	4.5
273.12308	5.7
277.09714	6.0
278.10510	4.1
279.11282	23.6
281.12857	6.3
283.10797	9.6
285.12375	29.4
287.10226	16.6
297.12271	7.8
301.11838	4.4
302.12741	4.1
303.13394	43.2
304.14246	2.7
305.09375	2.5
306.09390	2.1
307.10818	17.6
309.12216	3.4
311.13898	2.7
313.12030	4.6
315.10345	2.5
315.13779	2.9
316.10834	3.9
318.16183	2.9
319.10730	2.7
323.10223	8.3
325.11945	11.0
329.11655	3.0
330.12335	5.0
331.13315	2.7
337.11798	4.2
339.13287	20.7
341.14539	2.9
342.12354	3.6
342.16193	3.2
343.13049	3.4
344.13870	3.9
346.15524	4.2
347.16418	2.9
355.12766	3.8
356.13666	2.9
357.14795	4.0
358.15491	8.0
359.12500	7.8
360.13376	2.5
367.12747	5.9
368.13998	3.8
369.14325	2.6
370.11606	2.9
371.12695	5.6
372.13412	7.5
373.13916	2.7
374.15118	5.1
381.10687	6.5
385.13904	9.9
386.14993	16.3
387.15616	7.6
388.16833	2.6
390.18436	2.8
392.16074	2.5
396.13239	2.5
400.16525	4.6
402.14157	4.9
404.15933	12.7
406.17596	4.4
411.11804	32.5
413.13370	5.2
414.14447	20.0
415.15198	30.2
416.15756	3.5
418.17593	5.1
420.15457	5.8
423.32462	4.1
428.16290	5.2
429.12799	9.2
430.17526	6.9
432.15512	20.6
438.16092	3.4
443.14383	13.3
444.15366	4.0
446.16931	5.1
456.15451	11.5
462.16522	14.2
464.17847	4.1
474.16528	44.2
475.16837	2.6
506.19339	6.8
562.20929	2.8
581.23474	10.9
591.22382	3.0
606.20453	6.2
608.22400	3.8
609.23462	23.9
625.26135	6.1
627.24622	27.1
641.25183	2.9
651.24231	5.3
669.25726	23.0
671.22791	6.9
695.23499	13.6
713.24463	100.0
714.24664	7.2
745.26959	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	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01881	3.4
55.05504	22.3
57.03439	20.7
57.07061	3.8
60.23929	2.5
61.02923	6.1
64.62362	2.9
65.03925	5.6
67.05503	91.0
68.05801	3.3
69.03433	6.2
69.07066	17.1
69.73486	2.5
71.04996	4.7
71.31249	3.0
73.02890	4.1
79.05492	53.9
81.03419	95.6
81.07054	81.4
81.19448	2.4
83.04980	8.0
83.08618	28.5
85.02902	6.1
85.06549	5.1
91.05473	37.5
91.59319	2.4
93.06477	4.2
93.07047	58.2
95.04962	35.3
95.08605	59.4
96.08926	2.7
97.02921	2.7
97.06547	5.5
97.10158	9.1
105.07034	34.9
106.07342	2.8
107.04962	9.6
107.08577	36.4
109.06512	6.8
109.10150	22.8
111.04430	3.6
111.08078	8.8
115.05440	4.5
117.06998	13.1
119.07782	4.2
119.08575	32.6
121.06514	4.7
121.10138	29.9
123.08063	5.8
123.11698	7.6
125.09627	7.6
129.06990	10.9
131.08553	25.1
133.06502	5.0
133.10109	16.9
135.11687	16.3
137.13281	4.1
142.07770	4.4
143.08556	4.0
143.15163	3.0
145.10078	13.9
147.11707	18.6
149.09605	6.0
149.13292	7.8
155.08534	3.7
157.10088	11.8
159.11691	9.0
161.13251	5.4
163.11221	3.7
163.14833	3.9
165.12801	4.1
171.11658	5.5
173.13264	8.4
175.11192	8.7
175.14812	4.3
183.11821	4.0
184.07341	7.2
187.14845	5.0
189.11269	3.6
193.12227	27.0
201.16470	2.7
224.12787	2.8
227.12811	9.5
235.13452	3.3
243.21062	6.1
249.14900	5.4
261.22113	19.5
267.15918	100.0
285.16779	3.8
301.14212	4.0
301.25250	6.3
317.24811	2.8
333.24344	3.4
335.25793	96.2
336.26093	4.8
435.32669	7.3
453.33606	10.7
465.20587	3.5
466.21249	4.7
471.34509	5.7
508.70203	3.2
527.37286	71.1
536.29144	4.4
545.38269	46.8
563.38855	5.2
569.38184	4.1
760.43188	74.6
761.41895	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	759.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01867	4.8
55.05502	4.4
57.03418	1.7
57.07066	1.4
63.66004	0.5
67.05495	7.9
69.03420	0.6
69.07062	7.7
69.28773	3.9
69.29183	1.6
71.00961	0.9
71.01350	18.0
71.04982	0.5
71.08601	0.6
73.02908	0.9
75.04479	5.4
78.02548	0.5
78.91130	0.5
79.05482	4.6
81.03412	0.7
81.07050	14.0
82.96053	0.5
83.08611	3.9
85.02900	22.6
85.06521	0.7
91.05465	7.5
93.07034	10.9
95.01318	0.9
95.04965	0.9
95.08601	29.4
97.02904	0.7
97.06518	0.9
97.10169	2.4
98.21562	1.2
99.04444	1.3
99.08092	0.6
101.02370	32.4
105.04507	0.5
105.07026	14.5
107.08582	17.3
109.02892	0.7
109.06512	1.1
109.10146	15.9
111.08081	1.2
111.11723	0.7
113.02376	1.1
117.07007	2.1
119.08572	24.0
121.10131	15.9
123.08082	4.3
123.11699	7.8
125.09599	0.8
127.03909	100.0
128.06224	0.8
129.06995	1.4
131.03383	0.6
131.08551	6.9
133.10120	14.9
135.08066	0.6
135.11682	11.6
137.13237	2.1
141.01823	1.9
142.07779	1.8
143.08507	3.9
144.09372	1.0
145.04947	25.5
145.10106	13.3
145.11255	0.5
147.11684	13.1
149.09592	0.6
149.13254	7.5
155.08530	1.6
156.09331	1.3
157.10098	7.8
159.11678	11.0
159.13025	0.6
159.47841	0.6
160.12524	0.8
161.09633	0.7
161.13232	9.4
163.11140	0.7
163.14806	7.3
169.10144	1.8
170.10963	0.7
171.11684	5.7
173.09627	0.8
173.13248	9.6
175.11255	0.8
175.14821	7.8
177.12761	2.0
177.16362	4.0
183.11681	1.6
184.12517	0.7
185.13251	3.4
187.14798	9.5
189.16365	15.5
191.14326	5.6
191.17937	31.6
197.13268	2.4
199.14821	4.7
201.12650	0.5
201.16357	8.2
203.14389	3.0
203.17960	15.9
205.15849	0.7
205.19514	2.1
207.17506	1.2
211.14821	1.4
213.16347	5.9
215.14391	2.7
215.17908	4.5
217.15904	2.9
217.19537	2.3
219.17474	1.2
219.21098	0.7
223.14835	0.5
225.16396	0.8
227.17979	1.8
229.15848	1.9
229.19545	2.4
231.17433	9.5
231.20918	3.1
233.18912	0.6
239.17905	1.0
241.15840	0.6
241.19373	1.2
243.17619	0.6
243.21097	1.5
245.22705	1.1
253.19678	0.8
255.20984	1.3
257.18893	0.6
267.21124	0.7
269.22592	1.1
271.20584	0.7
281.22592	0.6
283.20923	0.6
285.22052	1.0
293.22708	0.7
317.14951	1.6
363.30557	0.7
367.97736	0.5
391.33356	0.7
393.35065	5.0
403.33542	4.1
421.34592	24.1
422.35013	0.6
439.35666	2.1
489.07443	0.7
565.39429	1.1
585.37628	1.6
615.38947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01866	4.9
55.05509	4.1
56.79280	0.5
57.03424	1.7
57.07056	2.0
61.99184	0.5
65.03930	0.7
67.05496	7.3
69.07065	7.6
69.55289	2.5
69.55717	2.1
71.01349	17.0
71.04974	1.3
73.02903	1.2
75.04476	5.2
79.05484	4.4
81.07051	12.6
83.04969	0.6
83.08626	3.7
85.02895	20.7
91.05465	5.9
93.07036	13.2
95.01311	0.9
95.08599	28.5
97.06540	0.8
97.10155	1.8
99.04488	0.9
101.02370	32.6
103.03884	0.6
105.07028	14.4
105.81447	0.6
107.08587	17.6
108.08907	0.7
109.10159	15.3
111.08054	1.4
111.11716	0.7
113.02319	0.8
117.07027	2.2
119.08572	24.5
121.10136	19.7
123.08053	4.2
123.11698	5.6
125.09616	0.7
127.03908	100.0
128.04218	1.3
128.06207	0.7
129.06981	1.1
130.07651	0.6
131.08556	6.8
133.10118	15.5
135.08040	0.9
135.11682	10.5
137.13243	3.7
141.01810	2.5
142.07800	1.6
143.08569	4.5
144.09377	0.7
145.04948	25.8
145.10110	13.0
147.11684	13.5
149.09671	0.8
149.13251	6.8
151.11143	0.7
155.08723	0.7
156.09389	1.5
157.10106	6.9
159.02893	0.7
159.11681	13.5
160.12302	0.8
161.09630	0.8
161.13245	8.0
163.11201	0.7
163.14798	8.2
169.10104	2.1
170.10902	0.6
171.11693	4.5
173.13235	9.1
175.11177	1.5
175.14842	7.0
177.12764	1.7
177.16350	3.1
179.08624	0.6
181.10114	0.7
183.11684	2.0
185.13237	4.2
187.14819	10.1
189.12714	1.4
189.16386	14.6
191.14311	6.5
191.17931	34.1
197.13232	1.6
199.14816	2.8
201.12675	0.8
201.16357	8.7
203.14365	4.0
203.17940	15.1
205.15822	0.8
205.19542	2.3
207.17500	0.7
211.14842	1.8
212.70161	0.6
213.16351	5.7
215.14336	3.0
215.17918	3.2
217.15875	2.3
217.19508	3.1
219.17508	1.3
225.16289	1.3
227.17894	2.3
229.15895	2.6
229.19507	3.5
231.17418	9.3
231.20927	3.2
233.19028	0.7
237.16331	0.7
239.17888	0.9
241.19502	1.0
243.17377	1.0
243.21033	1.5
245.22655	1.0
255.21013	1.7
259.20447	0.8
269.19141	0.7
283.20621	0.7
297.25656	0.8
337.02393	0.6
363.30313	0.8
365.28415	1.0
387.28485	0.6
391.33569	1.1
393.35251	4.0
403.33636	4.0
421.34598	19.5
422.35077	1.1
439.35721	2.5
585.37933	2.0
615.38806	0.8
723.59277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71500	1.8
67.05491	3.7
69.03419	3.5
69.07050	2.5
79.05480	6.3
81.07050	8.5
85.02914	4.5
91.05481	5.3
93.07026	6.9
94.06535	3.3
95.08584	2.8
97.02922	2.6
98.21618	3.1
104.37784	1.6
105.07006	4.1
107.08573	3.3
108.08086	6.8
109.02840	1.8
109.06505	2.7
109.10154	5.1
118.06504	2.1
119.08578	2.2
120.08120	17.2
122.06023	22.9
122.09666	4.2
127.03943	3.3
131.64360	1.8
133.10091	2.5
134.05981	2.4
136.07571	13.6
137.06006	4.0
145.04926	3.2
147.11717	2.6
148.07565	33.9
150.09161	3.9
153.78180	1.8
166.08658	3.2
177.05496	3.1
189.21364	1.9
208.09801	2.2
209.10732	4.3
223.08841	2.0
235.08629	4.7
236.09442	6.0
237.10219	22.9
243.11230	2.6
249.10274	16.2
250.10962	5.7
251.11729	6.9
252.08749	1.8
253.09715	3.4
263.08017	3.4
264.08990	13.9
265.09656	10.7
266.10568	2.3
267.11237	6.6
269.00937	2.0
277.09756	15.5
278.10339	6.3
279.08121	2.8
279.11218	14.5
281.09198	4.6
285.12265	2.7
287.05505	2.7
287.29419	2.1
289.09705	2.1
291.07468	2.4
292.08542	3.1
293.09232	51.7
293.12781	6.6
294.09753	3.0
295.10715	4.4
305.09225	11.0
306.09769	2.4
307.10815	18.7
309.08774	3.4
309.12335	3.6
311.10172	5.0
311.13522	2.2
313.11801	2.2
317.15024	3.6
319.10590	3.0
321.08569	2.1
323.10233	7.6
325.11707	4.6
327.13437	2.7
333.08633	6.7
337.11816	4.7
339.13513	11.1
340.10727	2.3
342.12378	3.1
347.09903	2.5
351.09775	27.6
353.11142	3.4
353.15039	2.6
354.12250	3.8
355.12827	3.5
356.14087	3.5
365.11264	6.5
366.12051	4.7
368.13925	3.7
369.14633	3.6
370.15396	2.9
371.12305	2.9
383.12363	8.2
384.12650	2.9
384.17181	2.6
385.13901	6.1
397.13852	6.4
398.14856	6.8
428.16025	3.5
438.14478	3.9
444.19269	3.4
446.16742	2.7
456.15344	8.1
457.32944	2.4
458.17004	4.8
460.18805	3.6
476.18115	3.6
488.17874	7.8
520.20355	5.6
551.22522	3.0
561.20795	3.1
564.19403	9.2
578.20795	2.6
591.22260	3.5
592.22809	30.8
593.23596	16.9
595.25403	2.4
605.19543	9.3
622.19952	2.9
623.24969	3.3
636.11505	4.0
636.21796	47.4
637.22644	100.0
638.22491	4.3
683.26105	11.0
695.23511	3.1
723.28424	2.4
727.25684	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	758.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05511	15.6
56.09767	1.3
57.03435	7.1
57.07072	2.4
61.02921	2.1
64.71880	1.3
65.03932	1.9
67.05504	64.9
68.75846	1.2
69.07067	11.1
71.04990	22.2
79.05067	2.5
79.05496	34.6
81.03376	1.2
81.07055	100.0
83.04974	3.8
83.08614	10.2
85.02902	2.1
85.06541	7.1
91.05479	28.8
93.07044	34.9
95.04959	5.4
95.08613	23.0
97.02898	1.6
97.06532	3.8
97.10151	1.4
98.20779	4.0
105.07026	19.8
107.08590	24.8
109.06525	2.0
109.10160	15.8
111.08060	2.5
112.70879	1.1
117.07008	5.1
119.08592	8.0
121.10146	15.1
123.08039	1.4
123.11703	13.4
131.08568	6.8
133.10135	19.9
135.11705	9.0
145.10109	4.9
147.11713	3.3
149.13234	7.0
151.11151	5.0
159.11737	6.4
160.38556	1.3
161.13245	2.9
171.11687	1.4
173.13287	2.6
177.12740	2.9
183.13892	2.7
187.13318	3.6
187.14870	1.9
195.13913	1.7
227.16357	3.6
229.24132	1.8
253.17969	1.5
257.17441	1.7
261.22110	2.2
269.17462	5.1
301.20068	17.1
335.25790	19.1
411.32581	1.7
437.33810	2.0
485.36206	3.1
503.37305	78.7
504.37558	3.3
517.38623	5.3
529.38892	13.1
561.41492	63.6
562.42072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.05511	20.3
57.03418	9.5
65.03949	4.6
66.45652	2.9
67.05177	5.6
67.05503	60.3
69.03405	4.0
69.07060	22.0
71.04971	6.5
73.41057	2.9
79.05491	47.1
81.06588	5.9
81.07054	100.0
83.04971	7.7
83.08604	13.9
85.06523	4.3
91.05475	60.9
93.07043	49.7
95.04949	11.1
95.08598	36.0
97.02899	3.4
97.06513	8.3
98.20691	6.8
101.54097	2.9
105.07025	65.9
107.04971	6.5
107.08593	38.1
109.06491	6.5
109.10119	11.8
111.08081	5.4
117.07011	18.9
119.08579	60.2
121.10134	37.7
123.08051	5.1
123.11709	23.5
129.07019	4.6
131.08533	19.9
133.09163	4.4
133.10120	28.9
135.08066	3.6
135.11655	17.0
137.09561	3.8
143.08539	5.1
145.10110	12.8
147.11684	66.8
149.13255	13.4
150.14922	2.8
151.75534	3.1
157.10086	7.3
159.11703	17.9
161.13292	16.6
163.11140	3.9
165.12752	20.5
169.10088	4.5
171.11691	8.4
173.13246	8.1
175.11206	3.6
175.14801	7.5
183.11664	3.6
184.07394	6.7
185.13249	6.1
195.13649	3.3
199.14774	4.2
229.14262	5.3
231.20995	5.5
241.19579	20.4
259.20584	46.5
262.18100	20.3
267.15906	31.4
269.17416	11.7
275.20178	6.6
277.21680	6.5
280.25864	3.0
285.16974	53.5
315.22977	6.0
333.24216	49.8
349.08902	3.3
351.25375	5.9
451.32004	4.4
463.30664	15.2
525.35382	9.9
543.36707	32.7
561.37402	13.3
588.27368	3.4
595.93207	3.6
704.45074	3.8
758.47968	17.3
759.38477	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.6
53.58914	3.0
54.10137	2.7
55.01869	7.2
55.05515	29.1
57.03426	12.7
57.07063	4.0
61.02901	8.7
67.05506	100.0
69.03423	6.9
69.07062	27.7
69.49741	19.0
69.50146	7.6
71.04990	6.9
74.72570	2.8
79.05061	5.2
79.05494	69.4
81.03401	7.1
81.07056	75.6
83.04968	11.8
83.08611	15.8
85.02882	8.3
85.06512	6.4
91.04961	5.3
91.05482	59.4
93.06476	4.4
93.07040	62.1
95.04971	19.9
95.08077	2.8
95.08614	45.8
97.02874	7.0
97.06520	13.5
97.10143	6.6
99.04469	4.2
105.07027	46.2
107.04972	9.4
107.08585	42.0
109.06507	9.0
109.10155	37.7
111.04430	9.9
111.08105	6.8
117.07039	22.1
117.28101	2.9
119.08591	33.2
121.06478	7.3
121.10159	30.6
123.08061	6.9
123.11688	10.5
125.09634	7.4
129.05472	4.6
129.07004	8.2
131.08578	26.3
133.06477	5.4
133.10139	38.2
135.08078	7.8
135.11676	28.6
137.09564	7.7
139.11179	4.7
141.07030	5.0
143.08556	13.6
145.06468	5.0
145.10124	28.9
147.08035	6.2
147.11693	17.9
149.09618	9.6
149.13249	9.2
151.11214	4.9
153.09073	3.7
155.08536	6.9
157.10109	11.4
159.11684	17.5
161.09618	4.8
161.13293	5.9
163.11183	11.4
169.10034	5.7
171.11708	8.3
173.09613	7.8
173.11800	4.6
173.13274	10.0
175.11169	6.7
181.10118	4.5
181.12230	5.0
183.11740	6.5
185.13271	7.7
187.14792	4.5
189.11212	4.1
189.12866	4.2
191.10667	6.9
197.13213	5.2
199.14909	5.2
209.11726	13.5
227.12691	8.0
227.16409	6.2
229.14261	9.5
253.14348	4.0
253.19472	3.4
255.15880	11.3
259.20605	3.4
261.22284	5.4
271.20410	4.1
273.22293	7.2
277.21649	3.4
283.15411	51.6
289.21628	7.3
289.76620	3.5
299.20151	3.9
301.16510	7.6
315.23184	10.9
317.21106	6.3
335.25867	20.9
373.23785	7.6
391.24954	3.6
433.30878	9.0
451.31915	16.6
455.36298	3.3
469.32944	13.2
497.36688	3.9
503.37415	3.6
525.35760	25.3
543.36920	87.2
544.37286	7.7
561.37878	38.5
590.71045	3.3
650.19873	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01862	7.6
55.05507	30.2
57.03432	15.3
61.02925	6.0
61.49006	2.4
65.03948	5.5
67.05501	100.0
69.03400	5.7
69.07063	30.0
69.38103	9.0
69.38527	16.5
71.04967	4.4
72.16212	2.4
73.02919	2.8
79.05487	68.1
81.03389	6.7
81.07053	89.5
83.04967	11.5
83.08608	17.1
85.02896	6.8
85.06527	5.5
91.03989	2.7
91.05475	58.0
93.07038	81.0
95.04956	20.3
95.08601	52.4
97.02890	11.2
97.06519	10.3
97.10146	5.3
98.20780	6.1
105.07027	44.8
107.04955	11.4
107.07954	4.3
107.08602	42.0
109.06505	11.8
109.10160	40.2
111.04445	11.7
111.08069	9.1
113.05991	3.7
117.06999	21.3
119.08574	38.2
121.10139	32.7
123.08042	8.0
123.11713	6.5
125.09635	8.8
128.06178	3.0
129.07013	13.5
130.75871	2.8
131.08566	29.9
133.06503	4.0
133.10115	32.6
135.08020	7.6
135.11684	25.4
137.09578	5.6
139.11130	4.3
141.06998	3.3
143.08533	10.0
145.06465	4.7
145.10136	35.2
147.08043	6.8
147.11693	20.5
149.09616	9.4
149.13235	8.1
151.11191	4.1
155.08534	8.3
157.10132	14.8
159.08041	3.9
159.11656	20.5
161.09653	8.1
161.13251	10.8
163.11176	11.7
167.08572	3.4
169.10129	9.1
171.11707	11.4
173.09584	10.3
173.11858	4.0
173.13261	10.0
175.14952	4.4
177.12712	3.3
183.11697	5.9
185.13269	7.1
187.11154	5.1
187.14783	3.0
189.11136	4.1
191.10664	4.4
197.13177	4.8
199.14873	3.6
209.11624	17.3
211.04637	2.7
211.14812	3.0
219.17567	2.9
223.57527	3.1
227.12756	9.8
227.16316	6.3
229.14343	9.2
245.13675	5.3
253.14377	3.5
255.15919	4.1
259.20477	4.3
261.22165	3.3
271.20596	7.7
273.22119	10.5
277.21597	3.4
283.15344	59.1
289.21420	3.7
299.20059	3.1
301.16406	11.1
301.21396	4.5
313.21497	4.1
315.23199	11.9
317.21176	8.0
329.24768	3.2
331.22375	3.3
333.23929	4.3
335.25726	28.1
347.25925	3.9
363.25171	3.9
373.23676	5.4
389.26950	4.8
433.31088	14.8
445.29361	3.0
451.32153	17.9
469.33084	15.1
487.34064	7.2
515.37439	3.9
525.35626	24.9
543.36798	99.2
544.36932	4.2
561.37726	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.9
55.05510	28.4
57.03433	15.7
57.07067	5.2
61.02933	4.8
65.03925	4.2
67.05501	85.3
69.03420	10.6
69.07069	33.4
69.64707	13.8
71.05004	6.3
79.05493	63.0
81.03410	17.6
81.07054	100.0
83.04977	11.2
83.08611	23.8
85.02911	14.1
85.06542	5.2
91.05472	53.3
93.07037	79.9
95.04976	14.9
95.08612	40.0
97.02894	6.2
97.06547	16.7
97.10162	9.3
98.21446	6.0
99.04456	3.2
99.08118	5.1
101.65369	2.8
105.07016	38.3
107.04955	9.0
107.08588	52.8
109.06512	8.5
109.10160	12.5
111.08088	3.6
117.07008	15.1
119.08593	26.6
121.06545	4.5
121.10124	26.1
123.11758	4.6
125.09641	11.7
129.06996	6.3
131.08580	20.3
132.08084	3.3
133.08925	6.5
133.10133	21.5
135.08066	4.2
135.11736	14.8
143.08559	5.4
145.10117	13.9
147.11674	12.5
149.09637	13.0
149.13260	26.6
157.10150	4.7
159.11713	18.3
161.13235	8.0
163.11165	8.3
165.12769	2.9
169.10168	2.9
171.11742	3.0
173.13252	3.6
177.12785	7.9
179.14294	4.0
184.07410	6.7
189.11296	5.7
195.13844	14.4
202.58992	3.2
211.13268	3.1
227.12740	22.2
229.19478	3.9
239.17955	3.9
255.24542	3.4
257.19034	8.6
259.20538	6.1
262.17999	40.0
267.15668	3.3
269.17487	70.2
275.19998	31.3
282.53644	3.7
285.16858	4.1
293.21381	3.9
321.29190	3.1
333.24377	4.5
349.23685	21.1
439.26917	4.6
449.28967	14.5
463.30524	44.6
503.33826	3.5
509.07709	3.1
517.35510	3.6
543.36865	51.0
561.37994	5.2
741.29852	3.6
758.48254	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.1
55.82074	8.6
57.07058	15.5
61.02913	14.3
67.05502	38.5
69.03415	24.2
69.07063	48.5
70.06579	11.8
71.04988	14.8
71.09822	22.5
71.10210	7.2
79.05490	28.2
79.76840	8.4
81.03404	15.4
81.07048	100.0
83.08591	29.7
85.02901	91.2
87.00809	24.9
91.05463	47.5
93.05799	10.7
93.07027	35.2
95.04953	11.2
95.08597	91.8
97.02850	30.3
97.10149	20.1
99.04465	10.1
103.05472	9.7
105.01901	47.7
105.07014	28.8
107.08579	29.7
109.02849	24.4
109.06534	8.0
109.10140	53.1
111.11720	17.3
115.05482	10.8
119.04914	11.0
119.08575	15.1
121.06471	11.3
121.10155	18.0
123.11688	35.6
125.09628	9.5
125.13290	8.9
127.03921	46.3
131.04953	10.1
131.08553	9.4
133.10098	13.0
135.04468	9.7
135.11671	14.2
136.07556	10.8
137.05943	38.4
137.13264	19.5
145.04994	12.9
145.10063	10.5
147.04385	24.5
149.13228	33.2
151.03865	11.1
151.07503	10.5
163.14742	10.2
167.07057	27.0
177.05418	20.7
181.04919	13.5
202.13634	7.5
204.13837	13.8
231.05042	9.7
249.05933	9.2
275.09961	8.8
275.27350	13.0
287.05420	49.1
293.28320	58.3
303.04950	20.2
311.29587	15.5
325.10858	13.3
434.28815	11.7
448.30515	14.5
507.33929	20.1
551.33374	49.6
577.34796	14.8
595.35559	65.0
713.39313	11.0
757.40271	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2173
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.05501	1.2
57.03436	5.2
57.22548	0.7
61.02927	4.5
69.03426	2.1
70.72629	0.9
70.72958	1.9
71.04988	25.6
73.02912	3.2
75.04463	2.1
81.03410	1.1
83.04971	7.0
83.61749	0.7
85.02903	42.3
87.04474	1.0
91.03944	2.3
95.04985	1.2
97.02898	2.6
99.04443	1.4
108.70202	0.7
109.02853	1.5
111.00803	1.8
111.04434	4.1
113.05971	0.9
121.02872	3.2
126.88034	0.8
127.03896	2.2
129.05473	13.9
137.02357	3.4
145.04967	2.2
147.04405	2.2
147.06505	6.6
153.01836	6.0
161.20290	0.8
163.06024	2.2
165.01860	3.2
183.02867	1.1
201.05501	1.6
213.05513	2.1
215.25412	0.9
229.04950	3.4
239.09131	1.8
241.05006	1.2
247.05878	0.9
257.04495	1.8
258.05136	1.5
280.67252	0.8
287.05487	100.0
288.05917	2.9
299.05374	1.4
303.04974	99.8
304.05258	1.8
315.04977	1.2
325.07120	0.9
329.06650	2.0
345.06036	2.4
353.06635	1.5
431.09808	1.4
449.10648	4.2
465.10144	2.5
551.12067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2181
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03913	0.3
54.38615	0.1
55.01863	0.2
55.05496	0.2
55.77905	0.1
57.03439	1.2
61.02923	1.3
65.03915	0.2
68.99779	0.3
69.03391	0.5
70.47733	0.4
71.04991	7.3
73.02893	0.6
75.04430	0.4
81.03392	0.2
83.04947	0.5
85.02901	9.7
86.03198	0.1
87.04443	0.3
91.03951	0.8
91.05454	0.3
95.04936	0.2
97.02895	1.1
99.04425	0.2
105.03346	0.1
107.04951	0.2
109.02862	0.3
111.00774	0.5
111.04403	0.4
119.04942	1.0
121.02856	2.2
121.06474	0.1
127.03901	0.6
129.05475	2.3
133.02805	0.4
135.04381	0.2
137.02348	0.6
145.04912	0.3
145.06421	0.1
147.03229	0.2
147.04393	3.2
147.06453	0.5
153.01820	2.3
157.06517	0.2
161.05914	0.2
163.06055	0.1
165.01836	1.4
169.01152	0.1
174.42097	0.1
183.02893	0.7
185.05946	0.3
213.05440	1.0
231.06439	0.6
241.04965	0.5
258.05313	0.9
259.05984	0.3
261.50650	0.1
269.04388	0.1
287.05475	100.0
288.05844	1.5
299.05414	0.3
303.04959	3.2
325.06937	0.1
329.06546	0.4
338.68149	0.1
345.06152	0.1
353.06625	0.2
357.07532	0.1
378.02963	0.1
431.09528	0.2
449.10773	15.8
450.10959	0.3
465.10480	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	757.2174
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
54.65765	0.1
55.78014	0.1
57.03438	1.4
59.04982	0.2
60.32080	0.2
61.02924	1.4
62.73308	0.1
65.77387	0.1
67.77755	0.1
68.99793	0.5
69.03417	0.6
70.62552	0.3
70.62884	0.3
71.04988	7.4
73.02904	0.7
73.57306	0.1
75.04470	0.4
81.03403	0.2
82.10212	0.1
83.04950	0.5
85.02899	9.9
87.04467	0.2
91.03954	1.0
93.23087	0.1
97.02890	1.0
97.95284	0.1
102.46687	0.1
105.03394	0.1
107.04958	0.3
109.02851	0.3
111.00795	0.6
111.04434	0.5
121.02847	2.5
127.03905	0.7
129.05464	2.1
133.02832	0.4
135.04465	0.2
136.80635	0.1
137.02324	0.7
145.04979	0.4
147.04411	0.5
147.06535	0.6
153.01820	2.7
157.06508	0.3
163.05911	0.1
165.01822	1.5
183.02936	0.7
185.05928	0.2
189.05385	0.1
197.05887	0.2
213.05391	1.0
231.06497	0.7
232.34048	0.1
241.04967	0.8
253.10860	0.1
258.05261	0.9
259.05997	0.3
269.04321	0.2
285.03821	0.2
287.05472	100.0
288.05817	2.4
299.05582	0.3
303.04868	0.2
329.06494	0.5
353.06390	0.3
395.07755	0.2
431.09430	0.3
433.10892	0.2
449.10770	16.3
450.11035	0.7
529.83459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1965
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.03928	0.2
55.01859	0.2
55.05507	0.2
57.03427	1.3
65.03929	1.2
68.99775	0.7
69.03423	0.9
69.34681	0.7
69.35115	0.6
71.01340	0.2
71.04990	8.0
73.02909	0.1
75.04458	0.3
81.03409	0.5
83.04984	0.8
85.02902	8.3
87.04440	0.3
91.05475	7.0
93.03410	0.3
95.04951	0.4
97.02888	0.7
98.21416	0.3
99.04440	0.1
103.05466	0.1
104.87680	0.1
107.04945	0.5
108.86526	0.1
109.02881	0.6
111.00816	0.8
111.04432	0.5
115.03902	0.3
117.03363	0.1
117.06985	0.2
119.04936	16.3
120.05255	0.3
121.02859	1.2
123.04409	0.4
127.03896	0.6
129.05487	1.9
129.06952	0.2
131.04933	0.4
135.04422	0.3
137.02328	3.4
137.05962	0.5
145.02832	0.4
145.06509	0.4
147.04401	59.2
148.04742	1.1
149.02342	0.5
149.05899	0.1
151.04007	0.2
153.01820	3.9
155.04906	0.2
161.05977	0.4
163.03915	0.6
165.01843	2.3
165.05478	0.9
166.02644	0.3
167.07051	0.4
173.05957	0.6
177.05450	0.8
179.03374	0.2
179.04961	0.2
181.04893	0.3
183.02861	1.0
183.04353	0.3
185.05965	0.2
187.03947	0.3
187.07491	0.2
191.03494	0.2
195.02908	0.2
201.05476	1.9
205.05099	0.2
213.05486	0.3
215.07010	0.1
217.04994	0.1
219.02875	0.2
219.06528	0.4
228.04259	0.2
229.04970	4.0
229.08366	0.2
230.05312	0.2
231.06482	0.8
239.03427	0.3
247.06003	0.5
257.04419	2.6
273.07401	0.3
274.04785	0.6
275.05539	0.2
275.08954	0.3
285.03922	1.2
287.05490	4.0
288.05865	0.2
291.08612	1.4
293.10217	0.4
303.04968	100.0
304.05295	2.8
309.09689	0.9
315.05081	0.1
317.06537	0.3
345.06046	0.3
449.10614	0.6
593.12787	0.2
633.96887	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	757.1969
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.01838	0.1
53.03951	0.2
55.01868	0.3
55.05519	0.2
55.80073	0.1
57.03431	1.3
61.02916	0.2
65.03930	0.9
68.99791	0.7
69.03406	0.3
69.44765	0.6
69.45193	0.6
71.04990	7.6
75.04443	0.2
79.93262	0.1
81.03413	0.5
83.04963	0.5
85.02901	9.2
87.04458	0.2
91.05479	5.8
92.05773	0.2
93.03438	0.2
95.04961	0.3
97.02876	0.6
107.04958	0.3
109.02863	0.5
111.00784	1.1
111.04394	0.3
117.07072	0.2
119.04936	14.2
120.05267	0.1
121.02875	1.0
123.04426	0.4
127.03909	0.5
127.06468	0.1
129.05472	2.0
130.86212	0.1
135.04420	0.3
137.02319	3.0
137.03381	0.1
137.05882	0.2
145.06500	0.2
147.04402	61.2
148.04752	0.6
149.02356	0.4
153.01819	3.5
155.04910	0.2
161.05962	0.2
163.03947	1.0
165.01840	2.2
165.05472	2.2
166.02567	0.3
171.02969	0.2
173.06010	0.4
176.15919	0.1
177.05484	0.3
183.02898	0.8
183.04346	0.3
187.03922	0.4
188.72342	0.1
191.06836	0.1
195.02945	0.3
201.05457	1.7
203.06956	0.2
205.04927	0.2
213.05344	0.3
219.06479	0.2
228.04222	0.2
229.04950	4.6
231.06483	0.3
247.05925	0.7
257.04428	2.5
273.07553	0.2
274.04761	0.9
275.05499	0.2
275.09070	0.3
285.03967	1.5
287.05518	1.7
291.08603	1.1
292.32703	0.1
293.10251	0.3
298.14267	0.2
303.04971	100.0
304.05319	1.7
309.09662	1.5
345.05942	0.3
369.06265	0.2
449.10193	0.2
593.12372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1953
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.16712	0.1
61.02922	0.2
65.03931	1.2
68.99779	0.5
69.03427	0.2
69.43840	0.1
69.44187	1.0
70.06558	0.1
71.01346	0.1
71.04988	0.2
76.02219	0.2
81.03400	0.4
85.02898	0.7
91.05472	9.3
95.04951	0.2
97.02893	0.6
98.21474	0.1
105.03381	0.3
107.04934	0.4
109.02859	0.4
111.00804	0.6
111.04426	0.2
119.04929	17.9
120.05256	0.3
121.02850	2.6
127.03912	0.3
129.06934	0.1
133.02841	0.6
135.04385	0.1
137.02345	0.5
145.06422	0.2
147.04393	50.1
148.04716	0.6
153.01814	3.1
157.06458	0.3
161.05913	0.1
165.01810	1.7
165.05458	1.0
169.06421	0.1
171.02895	0.1
171.04439	0.2
175.03821	0.1
183.02888	1.0
185.05949	0.6
191.81721	0.1
196.68208	0.1
197.06013	0.1
201.05521	0.1
201.82877	0.1
203.07057	0.2
213.05458	1.6
215.07040	0.1
217.04883	0.1
231.06523	1.0
241.04889	0.7
258.05231	1.0
259.05988	0.3
269.04434	0.2
285.03998	0.1
287.05463	100.0
288.05811	2.1
288.08826	0.1
291.08658	0.8
303.04904	0.4
309.09518	0.6
329.06570	0.3
341.54269	0.1
347.89810	0.1
393.77783	0.1
447.21301	0.2
448.21646	0.2
449.10760	6.0
450.11032	0.2
472.97626	0.1
491.28323	0.1
573.27692	0.1
595.27069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1956
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03433	0.1
65.03928	1.0
66.19458	0.1
68.99785	0.5
69.03405	0.4
69.53526	1.0
71.04990	0.6
79.05483	0.1
81.03407	0.5
83.04972	0.2
85.02900	1.5
88.58321	0.1
91.05475	7.8
92.26850	0.1
95.04963	0.1
96.46217	0.1
97.02882	0.6
103.05372	0.1
105.03381	0.3
105.74744	0.1
107.04956	0.4
109.02867	0.4
111.00809	0.5
111.04412	0.2
119.04933	16.9
120.05240	0.2
121.02858	2.4
127.03899	0.5
129.05493	0.2
133.02850	0.4
137.02287	0.8
141.06892	0.1
143.03423	0.2
145.06473	0.3
147.04398	57.2
148.04730	0.7
149.05960	0.1
153.01810	3.2
157.06476	0.5
161.06007	0.2
165.01816	1.5
165.05470	2.1
171.02962	0.1
171.04391	0.2
183.02864	0.6
185.05997	0.5
203.07013	0.3
213.05450	1.5
215.74591	0.1
229.05002	0.2
231.06436	0.9
241.04956	0.7
258.05237	0.8
259.05991	0.5
269.04315	0.2
273.07623	0.2
286.04739	0.2
287.05469	100.0
288.05798	2.1
291.08566	0.9
301.07132	0.2
302.07230	0.2
303.04910	2.1
303.08215	0.2
309.09738	1.0
329.06665	0.3
360.10913	0.1
418.95602	0.1
419.21490	0.1
449.04453	0.3
449.10745	5.5
465.10358	0.2
611.14081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1948
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01857	0.1
57.03420	0.4
61.02922	0.4
65.03931	1.2
65.89890	0.1
68.99797	0.5
69.03422	0.8
71.04994	0.8
71.56518	0.2
76.12132	0.1
81.03420	1.1
83.04957	0.2
85.02901	8.3
89.12579	0.1
91.05476	7.3
95.04981	0.3
97.02888	3.5
99.04445	0.1
105.03369	0.3
107.04977	0.3
109.02881	1.3
111.00797	0.6
111.04415	0.3
119.04936	16.8
120.05254	0.1
121.02850	2.6
127.03879	1.2
129.05495	0.2
129.06976	0.1
133.02852	0.5
137.02335	0.9
144.57118	0.2
145.04930	0.3
145.06477	0.2
147.04402	55.8
148.04726	0.8
153.01823	3.1
157.06523	0.4
161.06050	0.2
165.01837	1.3
165.05464	1.8
183.02925	0.8
185.05952	0.3
213.05482	1.3
229.04851	0.2
231.06552	0.6
241.04933	0.8
257.04446	0.1
258.05231	0.9
259.05991	0.5
287.05478	100.0
288.05795	2.1
291.08392	0.2
299.05420	0.6
300.00082	0.2
303.04974	3.5
309.09702	1.2
315.04984	0.2
329.06491	0.4
353.06683	0.2
365.06512	0.2
392.74149	0.1
395.07523	0.2
413.08521	0.3
431.09824	0.2
449.10782	6.4
465.10242	0.3
595.14630	0.2
612.89813	0.1
743.46375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	3.3
55.01871	3.2
55.05509	19.6
56.92514	3.0
57.03441	15.6
61.02927	3.3
67.05507	52.1
69.03438	4.8
69.07059	12.5
69.30767	2.7
69.89373	2.4
71.04987	3.6
71.57455	2.6
77.35529	2.6
79.05492	36.6
80.23552	2.8
81.03410	3.5
81.07055	57.9
83.08627	13.3
85.02877	3.2
86.52641	3.2
91.05483	33.5
93.07046	44.8
95.04976	9.2
95.08607	28.2
97.02897	6.4
97.06523	6.8
97.10173	3.3
99.00828	13.5
99.08128	3.0
105.07040	24.5
105.64812	2.7
107.04955	9.9
107.08572	20.7
109.02884	7.7
109.06504	7.4
109.10156	22.8
111.08070	4.6
117.07021	8.8
119.08601	16.4
121.06516	7.4
121.10162	18.6
123.08061	3.1
123.11707	7.1
129.06992	2.7
131.08580	11.1
133.10130	45.1
135.11722	13.5
139.07587	3.4
143.08621	4.3
144.96339	2.8
145.10121	8.2
147.08040	3.0
147.11697	8.3
149.09642	3.1
149.13307	5.0
151.11188	14.6
159.11688	5.3
161.09619	15.9
163.14830	4.0
173.13284	5.3
179.10710	8.0
189.09094	6.4
197.11694	4.1
225.11316	13.2
243.21135	3.7
261.22156	17.5
275.20154	3.0
281.13882	7.8
299.14905	89.1
317.24890	5.0
335.25787	100.0
467.31677	4.5
481.96851	3.3
529.81158	2.9
541.35150	12.7
559.36389	54.2
668.26532	3.5
706.03992	3.7
706.16400	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	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.0
53.03946	2.5
55.01884	4.4
55.05511	15.5
57.03435	9.2
59.05003	1.7
61.02909	3.4
67.05505	43.9
68.42459	1.5
69.07077	11.0
71.04998	1.5
71.08634	1.6
73.02935	2.4
79.05500	23.1
81.03429	4.0
81.07059	46.0
83.08611	12.9
85.02892	4.8
85.06581	1.8
91.05482	29.5
93.07043	34.0
95.04953	6.4
95.08609	29.4
97.02882	4.4
97.06506	2.6
97.10179	2.9
99.00809	14.9
105.07029	23.0
107.04971	6.2
107.08592	14.2
109.02867	8.9
109.06500	4.1
109.10152	17.6
111.08080	3.5
115.03974	2.6
117.07016	4.2
119.08595	15.5
121.06522	6.1
121.10154	11.1
123.04501	2.0
123.11733	7.5
125.09680	1.6
127.03939	2.2
131.08560	7.6
133.06445	1.6
133.10129	35.1
135.11670	7.5
137.09602	2.0
139.07564	2.6
143.08591	3.8
145.10133	7.8
146.50058	1.6
147.11726	5.4
149.13269	4.3
151.11172	12.1
159.11674	2.6
161.09604	17.3
161.13245	2.8
163.11259	1.7
163.14861	2.4
171.08002	2.5
173.13220	3.8
179.10709	10.5
187.14711	1.7
189.09117	7.7
197.11705	3.5
207.10196	2.5
225.11230	18.2
243.12192	5.5
243.21083	5.9
259.20670	1.7
261.22131	20.4
273.18768	1.5
281.13837	3.8
299.14890	100.0
315.22928	2.3
317.24893	1.9
335.25793	79.6
337.69815	2.0
361.96158	1.6
449.30112	2.2
467.31436	4.9
485.32507	2.7
515.37195	2.0
531.35962	1.8
541.35181	6.4
559.36334	33.9
635.68677	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	756.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
55.05508	9.7
57.03429	6.7
59.04985	1.3
65.03922	1.3
67.05501	27.8
69.03426	2.4
69.07069	13.5
70.17329	1.9
70.17738	2.7
71.04977	2.9
73.02921	1.4
74.53180	1.0
76.76387	1.1
79.05082	0.8
79.05492	14.4
81.03399	2.8
81.07051	78.6
83.04970	6.1
83.08617	8.1
85.02892	3.8
85.06522	4.9
90.18155	1.1
91.05473	21.8
93.07040	13.0
95.04954	3.7
95.08604	19.8
97.06516	7.3
97.10165	1.7
99.04430	2.0
99.08088	3.7
105.07023	40.6
107.04916	1.5
107.08589	12.8
109.02852	2.6
109.06503	5.5
109.10155	2.2
110.03657	1.6
111.04420	2.1
111.08108	2.0
113.05961	1.3
119.07703	1.0
119.08572	31.4
121.10130	21.3
123.08080	4.7
123.11698	31.4
127.03915	2.2
127.07529	4.9
129.06975	2.2
131.08559	2.2
133.06476	0.9
133.10109	4.3
135.11679	1.1
137.05940	1.0
137.13214	2.4
145.10136	3.0
147.11678	78.0
149.09601	1.3
157.10110	3.3
165.12744	35.5
175.11186	3.1
183.13795	3.9
191.00095	2.6
193.12231	3.2
229.14319	14.4
235.27348	0.9
267.15897	89.6
268.16248	1.4
285.16943	100.0
286.17343	1.2
403.68509	1.0
419.13507	2.1
436.19998	1.1
477.28458	16.9
493.17450	7.1
495.29504	63.3
496.29721	1.3
511.18457	12.0
576.38696	1.1
703.28870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
53.34120	1.1
55.01864	4.1
55.05499	1.6
57.03428	2.3
57.55808	1.3
57.56083	1.3
65.03945	6.6
65.35045	1.2
66.04732	1.3
69.03435	2.1
69.07069	1.6
70.06591	1.5
71.05010	1.6
71.57121	2.2
75.04489	2.5
78.04712	4.2
79.05500	5.6
81.03418	4.0
81.07070	1.7
83.08626	1.1
85.02900	9.3
86.42953	1.2
91.05484	13.8
93.03410	5.9
93.07052	4.3
95.04969	7.6
95.08614	1.8
97.02899	2.1
97.06548	3.2
103.05462	22.5
105.03389	2.6
105.07037	12.5
106.04147	12.6
107.04953	11.9
109.02834	1.8
109.06522	1.5
110.03664	3.2
111.04429	2.9
115.05447	5.5
117.07031	3.5
118.04160	5.2
119.04958	3.9
119.08609	2.6
120.08118	1.4
121.06501	21.5
122.03640	1.4
123.04434	5.4
124.05219	2.8
125.05970	8.7
130.04134	2.0
131.04930	22.8
131.05948	1.9
132.05644	2.5
133.06493	10.3
134.03624	2.6
135.04456	2.2
135.07996	3.2
137.05975	9.2
138.03131	2.0
139.07552	3.0
143.04939	2.0
144.05653	2.2
145.02895	2.2
145.06453	8.4
146.03670	1.7
146.07321	1.7
147.04413	3.7
147.08064	2.5
148.05185	12.8
149.05960	29.3
151.03915	8.0
151.07529	3.4
153.05461	4.1
153.09100	6.5
157.06438	1.8
159.04419	2.7
159.08083	3.2
161.05986	9.8
162.01375	2.9
163.03906	1.9
163.07523	28.5
163.08789	2.0
167.07033	68.3
168.07349	1.9
171.06572	5.9
173.06023	6.1
175.07564	3.6
176.04718	2.6
177.05458	24.1
179.01573	1.7
179.06995	1.9
181.04950	81.5
181.08536	19.1
182.05299	1.7
184.07352	1.5
187.07576	2.7
189.05334	1.4
189.09114	1.8
189.16414	3.5
190.06352	2.1
190.16708	1.5
191.07022	100.0
192.07512	2.9
193.04948	2.0
193.08655	3.5
195.06543	5.5
201.05463	3.0
203.07103	2.0
205.08633	5.3
207.06514	2.9
207.10214	2.0
209.08081	90.9
217.08513	1.9
219.08261	2.6
219.10236	5.6
223.04260	19.3
233.08110	5.8
235.07578	2.5
235.09666	5.2
245.08040	2.9
246.81073	1.6
263.06638	2.4
263.09171	22.6
267.10272	4.0
281.07950	2.2
287.05548	1.7
295.09891	2.0
307.09741	1.7
312.08969	2.1
325.10699	6.1
337.10800	1.7
339.12488	1.5
357.13190	9.0
367.11588	2.6
381.13184	1.4
385.12735	13.9
387.15033	3.6
399.14511	4.0
415.15222	2.7
415.26105	1.6
417.15515	12.7
447.17816	7.4
623.20483	2.7
748.34052	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01864	0.6
55.05503	1.2
57.03441	1.7
61.02927	4.6
64.58529	0.3
67.05505	4.4
69.03432	2.8
69.07053	1.0
71.01362	0.4
71.04980	0.4
71.19221	0.6
73.02913	3.1
79.05495	3.3
81.03417	1.2
81.07056	6.2
83.08615	0.4
85.02905	4.4
87.04461	0.3
91.03949	2.6
91.05476	2.7
93.07058	2.4
95.05021	0.4
95.08594	2.8
97.02898	4.2
97.06561	0.7
99.04453	0.8
100.58590	0.3
101.02369	1.7
105.07037	2.5
107.08602	1.4
109.02871	0.5
109.06490	0.4
109.10159	0.6
115.03923	0.5
119.08572	2.0
121.10168	2.0
123.11726	1.3
127.03934	1.6
131.08607	0.4
133.10162	0.5
135.11719	0.3
147.11688	3.5
149.13248	0.3
165.12810	1.3
185.04298	0.6
203.05284	0.5
243.08443	1.1
251.12595	1.2
335.25998	0.6
425.21451	0.4
469.20395	10.7
519.29352	4.9
585.37189	0.6
703.43933	1.0
747.42877	100.0
748.43372	4.8
776.33228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
57.03422	2.6
61.02927	3.6
64.99029	1.1
65.22079	1.0
67.05505	7.1
69.03432	3.4
69.07075	3.2
71.58086	1.3
73.02910	3.9
75.16390	1.0
79.05495	4.8
81.03402	2.5
81.07043	7.0
83.08633	1.2
85.02901	6.8
91.03951	3.0
91.05480	3.5
93.07041	6.4
95.08620	4.5
97.02908	4.3
98.16566	1.0
101.02384	1.4
105.07050	3.1
107.08601	4.2
113.04174	1.2
119.08592	2.1
121.10152	2.2
127.03912	1.1
128.31085	1.0
131.08597	2.5
133.10094	2.4
135.11711	1.4
147.11659	1.4
149.13266	1.6
157.10155	1.4
159.11667	1.8
184.07364	2.7
185.04347	1.2
243.08452	2.3
269.17676	1.0
297.55725	1.3
453.20972	7.4
535.28955	5.6
747.42859	100.0
748.43561	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	745.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.9
55.05511	19.8
57.03436	3.1
57.07073	5.0
65.03957	1.8
67.05502	27.7
69.03439	1.9
69.07065	29.1
70.71397	6.0
71.01351	36.5
73.02909	2.9
75.04475	12.1
79.05492	14.0
81.07057	53.6
83.08616	11.8
85.02902	47.9
90.14924	1.6
91.05479	15.9
93.07037	40.0
95.01324	7.4
95.04950	4.0
95.08601	100.0
97.10172	8.7
99.00824	2.3
99.04437	2.6
101.02377	64.5
101.03030	3.8
105.07027	34.9
107.08584	60.5
109.06547	2.7
109.10152	82.3
111.08063	3.0
111.11721	5.2
112.43871	2.0
113.02377	4.2
113.07832	1.6
117.07008	4.6
119.08577	54.4
121.10142	54.9
123.11697	33.8
127.03914	13.4
131.03461	4.1
131.08586	9.7
133.10127	51.1
135.11688	43.2
137.13257	13.8
141.01831	11.5
143.08568	2.5
145.04947	73.7
145.10112	21.2
147.11691	37.1
149.13261	23.6
151.11124	2.8
157.10173	3.2
159.02815	2.3
159.11700	18.1
161.13248	41.9
163.14806	23.7
173.13278	12.5
175.14824	24.6
177.16376	36.4
179.17947	5.6
184.07309	2.7
185.13358	2.9
187.14838	16.5
189.16379	57.7
191.17947	58.0
199.14835	2.3
201.16359	19.2
203.17946	45.6
205.19516	16.6
207.17397	10.5
213.16362	3.9
215.17957	16.1
217.19489	41.2
219.21004	4.2
221.18948	3.6
227.17917	3.6
229.19513	13.0
231.21071	11.0
241.19565	2.7
243.21098	6.7
245.22678	7.4
255.21107	6.7
257.19257	1.9
257.22675	5.8
269.22644	5.3
271.24222	10.8
283.24170	4.0
285.25836	2.2
297.25800	13.9
337.28656	3.2
365.32108	2.7
383.20752	2.4
407.36737	70.4
425.37720	22.6
601.23798	2.1
601.40918	4.2
745.38147	4.8
765.35925	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01863	7.3
55.05500	11.8
57.03415	4.6
57.07067	6.2
60.11487	2.0
61.02910	6.0
61.05181	2.1
67.05499	28.8
69.03397	2.0
69.07062	26.7
71.01347	30.3
73.02898	7.1
75.04471	8.2
79.05505	16.3
81.07050	48.0
83.08611	14.1
85.02898	52.4
85.56149	2.1
86.13820	2.1
87.89880	2.3
91.03938	8.4
91.05464	14.4
92.27291	2.0
93.07040	33.3
95.01295	4.6
95.08604	100.0
97.02867	12.0
97.10152	5.9
99.04440	3.0
101.02372	58.8
105.07021	33.3
107.08578	58.9
109.10146	79.5
111.08095	3.8
111.11705	6.8
112.53309	1.9
113.02419	4.2
119.08569	55.9
121.10128	51.6
123.11686	30.1
125.63699	2.1
127.03918	14.3
131.03386	4.1
131.08530	6.8
133.10127	56.2
135.11681	49.3
137.13219	9.2
137.40790	2.2
138.19997	2.1
141.01817	9.3
145.03773	3.2
145.04942	67.4
145.10107	15.4
147.11661	38.5
149.13248	27.9
157.10123	3.5
159.11659	19.9
159.98149	2.0
161.13252	36.8
163.14810	26.6
168.46335	1.9
169.09904	2.5
171.11655	4.0
173.13196	15.3
175.14822	31.5
177.16368	36.3
179.17918	5.3
185.13290	2.8
187.14781	16.3
189.16360	74.2
191.17932	55.2
201.16335	24.0
203.17935	44.3
205.19499	18.8
207.17403	12.2
207.19153	2.7
213.16380	3.7
215.17940	16.9
217.19492	37.2
219.21063	5.8
227.17976	5.2
229.19496	19.0
231.21114	13.6
232.44229	2.2
241.19583	2.9
243.21124	9.1
245.22704	7.6
255.21048	4.6
257.22672	10.7
269.22623	6.8
271.24210	11.6
297.25781	8.8
311.27051	3.2
365.31955	2.9
407.36694	69.7
425.37857	13.4
601.41022	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05514	1.3
57.03434	1.7
61.02922	4.3
64.95196	0.4
67.05504	5.4
69.03427	2.6
69.07071	1.2
69.66272	3.2
71.05005	0.6
73.02918	3.0
75.27518	0.4
79.05487	4.5
81.03396	1.0
81.07052	4.9
83.04961	0.5
83.08630	0.8
85.02905	4.4
91.03484	0.4
91.03960	2.5
91.05473	2.1
93.07052	4.9
95.04968	1.0
95.08621	4.4
97.02893	4.2
99.04437	1.0
100.57939	0.4
101.02392	1.9
104.84565	0.4
104.88107	0.4
105.07019	2.1
107.04998	0.5
107.08570	3.1
108.77055	0.4
109.02884	0.7
109.10149	1.3
111.04444	0.5
117.07040	1.0
118.46554	0.4
119.08589	1.2
121.10135	2.2
127.03934	0.9
129.06953	0.4
131.08577	0.7
131.87498	0.4
135.11673	4.0
135.12381	0.4
139.26416	0.4
145.10081	2.1
147.11732	0.5
161.13231	0.6
163.11169	3.8
181.12297	0.6
185.04286	0.5
194.58296	0.4
202.02281	0.5
227.12741	3.3
243.08423	2.0
249.10992	9.1
267.72223	0.4
305.13611	2.0
335.25858	0.8
419.69159	0.5
467.18884	12.0
467.25369	0.7
519.29401	5.6
583.35846	0.7
723.88470	0.5
745.41248	100.0
746.41547	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	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05500	1.5
56.01554	0.3
57.03433	2.5
61.02643	0.5
61.02929	6.5
67.05501	6.9
69.03426	3.8
69.07079	1.9
70.15975	1.9
71.04981	0.8
71.36253	0.4
71.63913	0.4
73.02916	5.4
79.05489	5.5
81.03411	1.6
81.07053	6.7
83.08642	0.8
85.02905	5.1
87.04470	0.4
90.71686	0.3
91.03943	3.6
91.05483	2.9
92.29136	0.3
93.07041	5.2
94.40417	0.4
95.04974	1.0
95.08609	5.0
97.02888	5.3
97.06535	0.8
98.21373	0.4
99.04475	0.9
101.02399	1.9
105.07037	2.0
107.08607	2.6
109.02902	0.7
109.10180	1.3
117.07011	0.6
119.08596	1.7
121.10125	2.1
123.11765	0.5
127.03940	1.5
131.08548	0.9
133.10092	0.8
135.11699	2.9
143.08488	0.4
145.10138	1.2
149.13335	0.6
158.94858	0.4
159.11711	0.5
161.13290	0.5
163.11200	2.5
184.07339	0.8
189.39233	0.4
209.36394	0.4
219.09917	0.5
227.12727	1.0
239.56343	0.4
243.08380	2.1
249.11005	12.2
305.13577	1.0
335.25986	0.8
336.26233	0.4
336.56738	0.4
467.18896	5.4
519.29297	10.8
548.40302	0.6
745.41278	100.0
746.41614	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	745.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	2.1
56.96539	1.6
65.03930	1.8
67.05486	3.8
69.07041	2.2
70.06583	2.9
71.57261	3.0
79.05492	8.0
80.04995	3.7
81.03424	3.2
81.07037	2.5
83.04977	1.9
85.02886	3.7
86.60500	1.7
86.89477	1.6
89.03911	2.9
91.05474	9.5
93.05756	1.6
93.07014	6.9
94.06563	17.7
95.04967	4.4
97.06522	1.6
100.24765	1.8
103.05457	7.4
105.05773	1.8
105.06993	3.1
106.06530	3.7
107.08580	2.2
108.04477	3.7
108.08125	16.5
109.06535	2.5
115.05437	2.1
116.04956	12.9
118.06569	3.4
119.04923	5.2
119.08575	2.0
120.04448	8.9
120.08102	41.9
121.10161	2.2
122.03606	2.2
122.06011	28.7
124.07599	5.6
129.07002	2.2
130.06522	1.9
131.04916	4.2
132.04474	2.2
134.05971	8.0
136.07565	27.4
137.05966	36.4
138.05458	2.0
138.09145	3.7
144.04431	17.9
145.02866	2.6
145.06459	3.0
146.06001	15.2
147.04398	3.7
148.07567	65.1
151.03859	3.3
152.07057	4.0
158.05994	3.5
160.03923	6.4
160.07515	6.0
161.05951	2.1
162.05518	6.9
163.07570	2.1
164.07060	10.4
166.08614	5.5
167.07037	8.6
172.03926	58.8
172.07603	1.6
174.05533	4.2
175.03949	3.6
175.06236	2.1
176.07004	8.1
177.05432	7.3
177.09789	3.5
181.04929	4.5
183.09111	2.1
184.09869	2.6
185.10768	3.7
186.05496	2.3
187.12318	2.4
190.03398	3.1
190.04980	41.1
191.07190	2.2
194.09712	2.1
195.09195	2.2
196.07587	2.0
196.09892	2.3
197.07050	2.4
197.10760	3.7
198.07774	3.8
198.11446	2.2
199.08685	4.6
199.12332	2.1
200.09393	2.1
201.10220	2.3
204.06546	85.6
207.06563	5.7
208.09952	4.0
209.10738	3.7
210.11401	1.8
210.38170	1.8
211.08669	4.6
211.12256	5.5
212.09489	5.0
213.10243	11.9
214.11024	1.6
215.11790	7.1
221.10696	1.9
222.11433	2.1
223.08595	3.0
223.12265	3.7
224.09438	3.6
225.10275	8.4
225.13789	1.6
226.08681	3.9
226.11005	5.1
227.08371	4.4
227.11771	8.5
229.13269	2.5
235.08707	2.8
236.09430	10.2
237.10208	8.9
238.10860	9.7
239.11749	4.1
241.09740	10.6
243.11308	29.9
249.10289	5.1
250.10843	2.8
251.11859	12.1
252.08655	10.5
253.09715	4.8
253.13402	3.2
255.11263	13.9
256.11972	2.5
257.12976	3.9
259.10818	2.3
263.08276	2.4
264.09045	12.8
265.09808	9.4
266.10559	2.7
266.95901	1.7
267.11230	4.1
269.09174	10.8
269.12506	2.8
270.10062	2.6
271.10764	6.0
273.12225	8.1
277.09592	5.8
278.10464	5.6
279.11325	30.3
281.09558	2.4
281.12842	6.2
282.10123	2.5
283.10648	15.4
284.11487	2.9
285.12308	44.5
287.10229	22.2
293.08984	4.6
294.09995	2.8
295.10709	4.7
296.11502	2.8
297.12201	9.5
301.11938	8.6
302.12921	6.1
303.13382	66.0
303.16870	3.8
304.14404	2.8
307.10745	19.1
309.12262	5.9
311.10422	3.2
311.13861	4.1
313.11838	7.6
314.13251	3.0
315.10001	4.0
315.13583	5.9
316.10803	5.0
316.14429	4.5
318.15891	4.1
323.10150	16.2
325.11877	11.7
326.12595	2.6
328.10861	2.4
328.14529	2.9
329.11237	5.9
330.12405	8.4
330.15805	2.7
331.13120	3.1
332.14050	2.4
337.11880	3.6
339.13385	27.5
341.15405	2.2
343.13062	5.0
344.13953	6.8
345.14539	3.0
346.15445	6.8
347.16238	4.5
353.11319	3.0
355.12759	3.1
356.14224	2.5
357.14230	2.8
358.15726	13.3
359.12283	11.7
360.13052	2.4
360.17212	2.1
367.12744	7.2
369.14755	2.3
370.11874	5.9
371.12460	8.6
372.13391	9.2
373.13986	3.7
374.14868	6.7
376.16525	3.8
377.13809	2.5
381.10858	17.9
383.12354	3.9
384.17609	1.9
385.14078	14.5
386.14935	24.9
387.14700	22.0
388.16791	2.6
389.13409	2.1
392.16183	3.6
396.13263	3.2
400.16873	3.3
401.13663	3.4
402.13867	7.6
402.18759	2.9
403.15317	2.5
404.16019	18.9
406.17685	5.5
411.11871	42.1
412.16617	2.4
413.13330	8.7
414.14459	23.0
415.15244	40.7
416.15689	4.8
417.16623	3.8
418.17453	8.1
420.15540	5.1
421.16214	4.0
428.16202	4.2
429.12817	11.1
430.17502	5.6
432.15552	28.7
433.15698	2.3
438.16312	6.9
443.14447	8.7
444.15460	4.6
446.16983	7.5
456.15341	12.2
462.16541	26.9
463.17056	2.1
464.18073	3.9
474.16592	73.8
475.16608	3.1
488.18112	2.6
506.19293	7.7
516.17706	2.9
563.22614	2.3
581.23883	17.8
591.22504	5.6
599.24780	1.9
609.23383	32.5
610.23236	2.2
625.26343	4.3
627.24493	46.0
628.24536	2.3
641.25879	3.2
651.24054	7.8
669.25476	31.7
671.23157	18.0
695.23462	16.0
713.24493	100.0
714.24554	3.8
745.28198	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	745.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01868	0.3
65.03923	1.0
66.04720	0.4
67.05480	0.5
69.03408	0.4
69.78392	0.3
69.78786	0.5
70.06587	0.2
71.05001	0.3
77.03966	0.1
78.04685	0.2
79.05479	0.7
81.07043	0.4
85.02887	1.2
88.80163	0.2
91.05482	1.0
94.03608	0.2
94.04181	2.8
95.04943	0.5
97.02891	0.2
97.06502	0.3
103.05475	0.3
107.04935	0.7
109.02870	0.2
110.03657	0.4
111.04420	0.4
115.05453	1.4
117.07008	1.8
119.04911	0.4
119.08529	0.2
120.04453	1.4
121.04799	0.2
122.03644	7.5
123.04410	0.6
124.05225	0.2
125.05965	0.4
131.04924	0.3
133.06464	0.2
137.05971	100.0
138.03043	0.2
138.06326	0.6
142.02602	0.3
143.04919	3.8
145.06474	2.4
147.04405	0.4
147.08035	0.4
149.05983	0.1
151.03903	3.1
151.05022	0.1
152.04649	0.4
153.05492	0.2
155.06007	0.4
160.05157	0.2
161.05969	0.4
167.07039	10.4
171.06537	1.0
173.05981	3.6
175.07509	0.8
177.05399	0.2
179.07013	0.2
181.04947	13.5
189.05431	0.2
191.07031	0.2
203.07027	1.0
205.06725	0.3
205.08585	2.2
211.07773	0.2
221.07988	0.4
233.08096	0.6
235.09593	1.9
239.26212	0.2
267.10294	0.2
303.04578	0.2
317.06512	0.9
318.06784	1.0
355.11856	0.4
357.13303	9.7
385.12671	0.2
387.14355	57.9
388.14581	0.6
583.21960	0.3
745.26831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.1
62.06704	0.7
65.03928	1.4
67.05501	2.7
69.03418	1.1
69.51835	1.7
69.52245	4.6
70.06590	3.5
79.05501	3.2
80.04986	0.9
80.63194	0.7
81.03412	2.3
81.07067	2.0
85.02905	2.6
91.05483	3.5
93.07029	3.4
94.06554	2.7
95.04966	1.8
95.08600	1.7
97.02905	1.2
97.06537	1.1
98.21484	1.5
103.05484	4.5
105.07012	2.6
106.06560	0.9
107.08517	1.0
108.04437	0.9
108.08115	1.5
109.10165	1.6
111.04347	0.9
116.04971	3.1
118.06531	1.5
119.08503	0.9
120.04469	1.4
120.08092	7.8
121.06487	1.1
121.10150	1.2
122.06007	10.4
124.07554	0.9
127.03948	1.0
129.06999	1.0
131.04939	3.9
131.08565	1.6
133.10106	1.1
134.06015	1.6
136.07564	9.3
137.05971	8.4
144.04445	3.8
144.08073	1.0
145.02885	1.2
145.04985	0.9
145.10158	0.9
146.06030	2.6
148.07574	13.5
150.05457	1.5
151.07561	1.0
157.08791	1.0
161.07103	1.0
161.09557	1.0
162.05553	4.6
163.07539	1.4
164.07027	4.3
167.07150	2.0
170.09605	3.8
172.03925	25.0
174.05528	1.9
175.07463	1.7
177.05418	2.0
181.04999	0.9
186.05521	1.4
186.09178	1.5
187.12250	5.6
190.05000	3.7
197.08479	1.2
197.10751	1.0
198.09149	23.7
199.12331	0.8
200.09416	2.9
204.06558	37.5
212.10786	5.0
215.08551	1.1
215.11803	19.8
223.12273	1.2
225.10252	2.0
226.08652	6.2
227.08243	1.0
227.11818	2.4
228.08907	1.0
229.09669	0.9
237.10127	1.3
240.10214	3.2
241.09691	2.7
241.13383	1.6
242.10486	2.0
243.11282	100.0
244.11539	1.2
251.11797	2.8
252.08731	3.0
253.09795	1.2
255.11369	5.6
257.12820	5.0
265.09677	1.0
266.10626	1.1
267.11124	1.1
269.09088	2.4
271.68613	0.9
278.10349	0.9
279.11395	4.2
281.12866	3.6
285.12329	88.1
286.12692	1.2
295.10794	1.6
297.12500	1.3
301.11893	4.8
303.13379	82.2
304.13687	1.3
307.10516	2.3
311.13541	1.0
313.11838	3.5
315.09671	2.0
329.11191	1.3
339.13275	6.8
341.11115	1.2
341.14893	1.1
351.12314	1.1
358.15436	1.0
385.13882	5.5
387.14520	1.2
411.11771	4.7
418.17920	1.4
428.15985	1.2
429.12805	1.0
430.17609	1.6
434.17264	0.9
443.14557	3.3
462.16522	3.4
474.16449	2.2
494.19104	2.7
533.90247	1.0
581.22974	1.3
588.01550	0.8
591.21936	1.1
609.23102	2.7
623.25385	1.0
625.26337	2.1
627.24664	1.1
641.26123	1.1
651.23596	1.1
669.25714	7.4
683.26642	1.4
685.24615	2.3
713.24493	6.2
727.25763	1.3
745.34998	2.4
770.38013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03425	8.3
57.07087	3.0
59.04981	3.0
61.02913	5.1
65.03957	3.7
67.05506	100.0
69.03423	3.3
69.07054	9.4
71.04993	20.4
71.58647	3.5
79.05499	35.6
80.05821	3.1
81.07056	37.7
83.04967	4.7
83.08601	9.9
85.02907	5.4
85.06531	4.1
91.05483	25.4
93.07043	38.7
95.04964	4.7
95.08610	32.9
95.19540	2.6
97.02843	2.5
97.06541	4.4
97.10136	2.6
105.07032	13.5
107.08607	22.3
109.06547	2.6
109.10158	56.4
110.66592	2.2
117.07023	3.0
119.08578	16.5
121.10131	18.0
123.11716	2.4
125.09642	4.4
131.08548	6.1
133.10130	5.7
135.11684	17.6
137.09613	8.1
137.99542	2.4
145.10120	8.7
147.11694	4.7
149.13234	4.6
159.11646	4.5
173.11717	7.8
175.14571	2.4
186.12747	4.6
227.12837	3.2
255.15805	4.0
284.10532	3.6
287.18506	16.3
335.25830	24.3
346.46637	2.4
410.20963	3.6
451.53061	3.0
489.35764	83.9
490.36145	3.9
503.37201	3.4
515.37695	11.8
547.39880	64.4
559.74719	2.6
744.40765	4.1
745.41479	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.05512	20.6
55.21830	1.8
57.03428	13.0
57.07067	3.2
58.87172	2.1
60.08152	3.1
61.02917	3.9
61.29308	1.8
65.03921	2.4
67.05505	72.5
69.07069	16.0
71.04985	5.4
71.57735	1.9
71.58199	3.7
79.05061	3.3
79.05493	44.3
81.03431	4.4
81.07059	98.6
83.04979	7.7
83.08627	10.2
84.04063	2.5
85.02901	3.0
85.06526	9.4
86.09700	6.4
91.05479	27.0
93.07039	53.0
95.04964	4.3
95.08609	36.2
97.06528	7.3
97.10183	4.9
99.08060	2.8
105.07007	14.5
107.08598	24.8
109.06523	3.4
109.10148	11.1
117.07005	7.2
119.08570	9.1
121.10139	16.6
122.35745	1.8
123.11687	8.4
125.00002	6.5
131.08540	14.3
133.10152	12.9
133.40591	1.8
135.11688	14.1
145.10127	5.2
147.11699	4.8
149.13274	15.1
151.11198	4.5
159.11702	11.7
161.13275	2.8
166.08344	2.0
171.11662	2.0
173.13222	3.3
175.14781	2.0
177.12775	5.5
184.07379	23.0
187.13274	8.6
195.13799	6.3
226.05582	2.0
243.15973	22.3
243.21149	3.5
261.22186	9.6
269.17474	36.2
287.18564	28.2
317.24924	2.8
335.25754	59.9
387.07880	2.2
455.35016	2.6
503.37314	100.0
504.37668	5.4
511.30945	2.1
529.38733	8.7
530.38940	2.3
547.39868	42.8
548.39612	2.3
640.78864	2.0
651.89777	2.2
744.51221	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2022
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03944	0.3
55.01857	0.9
55.05485	0.5
57.03435	2.2
61.02898	0.8
65.03928	0.3
67.05521	0.3
68.99803	0.4
69.03422	3.2
69.48165	2.4
71.01349	0.3
71.04988	13.2
73.02905	4.3
75.04464	0.5
81.03391	0.7
83.04964	1.5
85.02897	16.4
87.04458	0.6
93.03410	0.3
95.04944	0.6
97.02892	2.9
97.73335	0.2
98.20769	0.6
99.04455	0.9
103.03897	0.4
109.02881	0.4
111.00776	0.7
111.04434	1.3
115.03908	1.9
117.38988	0.3
121.02847	1.1
127.03899	0.6
129.05466	4.5
133.04929	0.6
137.02312	3.7
137.05894	0.3
139.03885	0.7
145.04984	0.5
147.06494	1.5
149.02283	0.7
153.01811	3.0
153.05386	0.3
163.03909	0.5
165.01811	1.8
171.06488	0.3
173.05936	0.4
183.02864	0.8
183.04341	0.3
201.05386	1.7
203.03262	0.4
225.07631	0.6
229.04919	3.8
247.05986	0.9
257.04431	2.8
274.04684	0.7
285.03900	1.1
287.05441	1.1
289.05316	0.3
303.04956	100.0
304.05328	1.6
315.04819	1.9
327.04916	0.9
329.15744	0.3
341.06467	0.8
345.06055	2.7
353.06586	0.6
369.05969	1.5
375.21317	0.3
381.05838	0.6
399.07135	1.6
417.07883	0.9
435.09146	2.6
449.10611	0.7
465.10260	20.3
581.65588	0.3
597.13922	0.3
642.23737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43019	1.4
53.03934	2.6
55.01857	1.5
55.05502	17.2
57.03438	12.3
59.04993	2.1
60.08144	2.2
61.02925	2.8
67.05503	75.0
69.07069	13.2
71.04980	7.1
71.58123	2.9
79.05486	37.0
81.03423	3.6
81.04193	1.8
81.07052	100.0
82.07359	1.6
83.04984	4.5
83.08617	12.6
85.02898	3.7
85.06544	7.6
86.09710	6.9
91.05482	28.2
93.06477	2.9
93.07043	44.5
93.07628	2.5
95.04972	7.4
95.08607	30.6
97.06527	10.0
97.10168	2.9
99.08082	2.6
102.87547	1.7
105.07017	13.4
107.08598	27.6
109.06501	3.1
109.10126	16.9
111.08084	5.1
117.07024	6.2
119.08556	8.3
121.06473	2.6
121.10136	21.6
123.11691	10.4
124.99991	5.8
129.07106	1.6
131.08560	13.3
133.10120	16.4
135.08034	1.7
135.11693	15.3
145.10085	4.9
147.11655	3.1
149.13246	12.8
151.11180	3.5
159.11664	13.0
161.13254	2.2
173.13243	2.3
177.12753	6.0
184.07288	17.0
187.13280	8.2
187.14766	1.8
195.13843	6.6
213.14793	2.2
216.45880	1.6
243.15929	23.5
243.21188	2.2
261.22110	5.5
269.17459	18.0
287.18506	29.4
287.23502	2.6
293.76422	1.8
335.25797	42.5
343.04779	1.6
503.37262	74.9
504.37488	4.6
529.38519	6.4
547.39874	27.8
745.41559	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
53.31422	2.0
55.05284	2.3
55.05505	19.9
57.03432	12.2
57.07062	4.4
61.02901	4.1
67.05499	61.6
69.07070	16.4
71.04990	5.3
71.49478	4.1
71.49825	3.1
79.05064	3.9
79.05492	48.5
81.03414	51.7
81.07051	65.6
83.04987	12.2
83.08612	21.6
85.02892	25.0
91.04965	3.8
91.05479	40.1
93.07040	52.2
95.04960	23.3
95.08602	38.9
97.02876	5.0
97.06516	5.5
97.10167	2.8
105.07014	29.6
107.04926	6.4
107.08588	20.4
109.06467	5.7
109.10170	12.4
111.04449	2.3
111.08075	7.6
113.06032	3.6
117.07001	5.8
119.08581	24.7
121.10125	18.1
123.11676	5.1
129.06982	8.8
131.08557	14.8
133.06465	2.7
133.10120	13.8
135.11661	11.8
137.09602	2.9
139.78265	2.2
142.07730	4.8
145.10120	8.2
147.07956	2.4
147.11662	15.8
149.09596	6.0
149.13245	4.9
151.27362	2.5
157.10104	12.9
159.11644	5.2
161.13252	4.6
163.14839	4.4
165.12654	3.6
173.13235	3.4
175.11198	13.5
191.04112	2.1
193.12231	35.1
211.13254	50.1
227.20087	3.6
261.22116	12.4
267.15875	11.9
276.65460	2.0
285.16931	47.6
335.25772	94.3
435.32263	2.8
446.64133	2.8
527.37274	14.0
545.38330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01864	4.3
55.05262	2.8
55.05503	26.6
55.51184	2.3
57.03436	15.6
57.07067	2.4
60.47892	2.4
61.02910	4.1
65.03938	4.2
67.05500	69.2
69.03416	5.5
69.07064	21.7
70.56881	7.8
71.04977	5.5
73.02891	3.0
79.05488	59.1
79.39574	2.6
81.03410	65.7
81.06584	4.8
81.07050	84.4
83.04980	15.7
83.08608	30.6
85.02898	24.6
87.30219	2.2
88.24368	2.4
91.05473	48.2
93.06471	3.8
93.07038	53.1
95.04961	30.9
95.08591	43.3
97.02885	3.9
97.06509	5.8
97.10144	5.9
99.08078	3.0
105.07021	42.6
107.04937	8.3
107.08592	24.8
109.06508	8.0
109.10149	17.7
111.08064	14.7
113.05981	2.9
117.07027	7.4
119.08557	33.1
121.06499	2.8
121.10130	21.6
123.08039	2.9
123.11653	5.1
125.09603	4.0
129.06990	15.2
131.08565	21.3
133.06433	3.1
133.10112	24.0
135.11668	11.3
142.07776	3.2
145.10078	8.4
147.11662	18.5
149.09604	5.8
149.13240	6.7
157.10130	15.7
159.11688	7.3
165.12766	5.8
173.13187	5.1
175.11206	15.9
187.14859	2.5
193.12219	48.0
194.22034	2.2
201.34590	2.8
211.13261	82.0
227.20064	3.6
243.21170	3.7
245.84883	2.6
261.22110	11.4
267.15970	16.4
285.16937	85.5
303.64795	2.9
317.24911	4.5
335.25778	95.9
527.37445	14.5
545.38348	100.0
546.38483	3.3
689.84882	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46730	5.1
55.05509	19.0
57.03431	16.6
60.83662	5.3
61.02939	5.9
67.05504	90.0
69.07091	28.6
71.04977	6.1
71.57814	5.8
71.58181	7.2
74.95362	5.1
79.05492	75.3
81.03417	23.6
81.07059	100.0
83.04990	9.6
83.08614	20.9
85.02950	6.8
85.06581	6.3
91.05476	69.2
93.07045	98.1
95.04977	19.0
95.08595	45.1
97.06520	8.4
99.99937	6.0
105.07011	68.8
107.08584	55.6
109.06557	6.1
109.10143	15.6
117.07034	17.4
119.08574	45.8
121.10164	22.7
123.08067	9.8
123.11711	6.5
129.06989	13.7
131.07689	5.4
131.08513	31.8
133.10127	41.8
135.11687	19.1
143.08549	7.5
145.10130	20.9
147.11711	39.7
149.09708	5.7
149.13249	37.2
157.10126	8.7
159.11685	29.7
161.13258	18.4
171.11707	10.8
173.13324	12.9
175.14871	11.2
184.07372	13.3
185.13257	10.4
215.41573	5.5
241.19527	24.4
259.20575	63.9
261.22266	7.6
267.15884	22.2
269.17477	71.6
315.23166	5.9
333.24173	44.4
335.25818	27.3
385.55557	6.2
527.37390	51.8
545.38464	18.4
580.35376	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.16372	1.6
55.01883	1.9
55.05510	19.3
56.84310	1.5
57.03437	17.4
57.07068	1.7
61.02896	1.6
65.03934	2.2
67.05501	53.6
69.03411	7.5
69.07066	15.9
69.34589	10.7
69.35013	5.5
71.04987	6.0
73.02943	1.8
75.80931	1.5
79.05487	42.4
81.03413	49.0
81.07055	61.9
83.04974	16.4
83.08617	23.6
85.02901	18.6
85.06549	3.7
91.04914	2.3
91.05475	38.3
93.07043	36.5
94.07368	2.0
95.04963	21.9
95.08605	38.7
97.02894	5.6
97.06512	4.9
97.10168	6.0
105.07029	27.7
107.04956	5.8
107.08594	25.3
109.06503	6.3
109.10159	10.7
111.04459	2.6
111.08076	5.9
113.05984	2.3
117.07020	5.7
119.08578	28.6
119.20996	1.7
121.06467	2.1
121.10150	24.9
123.08073	4.5
123.11720	11.9
129.07027	8.4
131.08565	12.4
133.06444	3.3
133.10152	14.8
135.08012	1.8
135.11691	9.1
137.09641	2.9
138.46625	1.5
142.07819	2.1
143.08528	2.7
145.10143	7.4
147.11670	32.3
149.09604	6.2
149.13234	4.5
149.18335	1.6
157.10136	12.0
159.11697	5.9
161.13254	3.3
163.11166	3.1
165.12732	10.6
173.13301	4.1
175.11176	12.9
183.13731	2.0
193.12241	33.6
201.16335	2.5
211.13284	54.2
214.00394	1.7
216.83981	1.7
227.12877	4.3
229.14259	3.8
243.21069	3.0
261.22153	7.6
267.15894	27.2
285.16956	99.5
286.17026	1.8
335.25809	49.5
336.26068	3.9
337.26443	1.8
404.85828	2.2
527.37170	7.8
545.38330	100.0
546.38727	3.5
759.97980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05506	14.8
57.03438	11.9
57.07080	2.3
61.02923	2.9
65.03941	2.9
66.97192	1.6
67.05501	51.7
69.03446	1.7
69.07063	16.9
70.71484	5.1
71.05003	2.5
78.83817	1.6
79.05493	32.7
81.03429	2.3
81.07051	85.8
83.04993	4.8
83.08627	7.3
83.95177	1.6
85.02914	1.8
85.06543	4.4
91.05486	22.2
93.07043	34.5
95.04956	4.1
95.08611	39.2
97.02895	1.7
97.06540	6.5
99.08102	2.8
105.07027	28.2
105.07688	2.4
106.03739	1.4
107.08586	21.7
109.06517	4.5
109.10147	10.8
117.06992	3.2
119.07772	3.0
119.08577	25.2
121.10155	23.4
123.08101	3.6
123.11718	20.6
127.07601	2.0
131.08574	6.9
133.10141	6.6
135.11722	10.2
137.13234	3.1
145.10147	5.3
147.11674	43.4
147.12784	2.3
149.09702	2.3
149.13245	4.3
159.11662	2.3
161.13235	2.9
163.14905	1.7
165.12738	19.1
173.13321	2.7
175.11302	2.0
183.13782	2.0
183.81177	1.6
198.23880	1.8
222.71922	1.6
229.14333	4.4
243.21056	4.7
261.22195	14.9
267.15912	55.9
269.93259	1.6
285.16956	59.7
317.24805	2.9
335.25766	100.0
336.26193	2.1
513.57373	1.7
515.21082	2.0
527.37085	5.4
545.38348	48.0
546.38672	2.0
696.05157	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	741.2227
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03943	0.3
54.47078	0.1
55.01868	0.5
55.05510	1.1
55.90643	0.1
57.03434	3.9
59.04987	0.3
61.02930	0.6
63.10191	0.1
65.03937	0.2
66.31828	0.1
67.01848	0.1
67.05503	0.5
68.99798	0.4
69.03419	1.8
71.01357	0.6
71.04986	23.2
73.02911	1.7
74.02441	0.4
75.04480	1.5
79.05490	0.3
80.07770	0.1
81.03417	1.8
81.07059	0.2
83.04974	4.4
83.08607	0.4
85.02898	28.4
85.06526	0.1
86.06106	0.1
87.04445	0.8
87.05595	0.7
91.03948	0.4
91.05473	0.3
93.07076	0.1
95.04961	1.2
97.02881	1.0
97.06532	0.3
99.04449	1.1
101.05990	0.3
103.03971	0.2
105.03379	0.2
105.07011	0.2
107.04940	0.5
109.02851	0.8
109.06478	0.2
111.00787	0.7
111.04430	3.5
111.08009	0.2
111.71575	0.1
113.02346	0.2
113.06017	0.5
116.03394	0.2
117.05473	1.0
119.08568	0.2
121.02862	3.6
121.03722	0.2
121.06506	0.3
123.04411	0.2
125.05943	0.2
125.32352	0.1
127.03927	1.3
129.05469	7.4
129.06999	0.2
133.02870	0.6
133.06070	2.1
135.04413	0.3
137.02335	0.7
137.05930	0.2
139.03926	0.3
145.04941	0.3
145.06509	0.2
147.04408	0.5
147.06494	2.1
147.07724	0.1
151.03923	0.1
153.01811	2.4
153.02959	0.1
153.05432	1.4
157.04948	0.4
157.06448	0.3
159.06522	0.4
163.05997	0.9
165.01842	1.1
171.04300	0.3
171.06470	0.8
175.03885	0.2
175.11232	0.3
183.02916	0.5
183.06494	0.2
185.05876	0.3
193.08461	0.2
193.12204	1.1
195.02913	0.1
201.07587	0.5
203.07080	0.2
213.05464	1.1
213.07486	0.3
229.04961	0.3
230.07297	0.1
231.06551	0.5
239.09081	1.3
241.04904	0.7
257.10031	0.3
258.05203	0.9
259.05948	0.6
267.15869	0.6
271.05969	1.8
272.06857	0.1
275.11288	0.3
283.06018	0.4
285.16968	1.0
286.04745	0.7
287.05466	100.0
288.05774	1.5
297.07547	0.2
299.05496	3.9
300.06210	0.9
309.17020	0.3
311.05533	1.4
313.07092	0.4
316.69785	0.1
323.05548	0.2
325.06912	0.8
327.05057	0.1
329.06537	6.9
335.09152	0.1
337.07065	0.3
339.08838	0.2
341.06482	0.4
351.08447	0.2
353.06503	2.8
355.08099	0.1
359.07483	0.2
379.08035	0.8
383.07648	0.3
395.07571	0.3
397.09082	3.0
413.08658	0.5
415.10239	1.8
431.09695	0.6
433.05310	0.3
433.11261	6.4
449.10767	17.5
450.11011	0.4
579.16687	0.1
595.16095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2226
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05508	0.9
57.03432	2.1
61.02911	1.1
68.99764	0.7
69.03419	1.3
69.52259	4.6
69.52570	1.0
71.04993	13.0
73.02918	1.5
73.94846	0.6
75.04478	0.8
83.04987	3.2
85.02904	20.7
85.06877	0.5
91.03983	0.7
98.20744	0.8
99.04439	1.3
100.94770	0.5
111.00791	0.6
111.04446	1.9
112.90280	0.6
119.04934	0.6
119.16016	0.6
121.02866	2.0
127.03972	0.7
129.05467	6.0
132.67268	0.5
145.04962	0.7
147.04402	2.0
147.06525	2.3
153.01817	2.8
153.05472	0.8
165.01837	1.5
239.09123	1.4
258.05032	0.9
268.94302	0.6
287.05493	100.0
288.05695	1.3
299.05554	1.9
329.06558	1.8
353.06552	0.8
419.61356	0.6
433.11298	1.7
449.10776	1.9
616.85699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2014
Annotation	Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
53.03926	0.3
55.01855	0.2
55.05509	0.2
57.03436	1.4
61.02927	0.3
61.04432	0.1
65.03928	0.5
68.99788	0.4
69.03423	0.9
71.04990	9.4
73.02912	0.3
75.04470	0.3
81.03433	0.7
83.04994	0.9
85.02898	15.9
91.05474	4.9
91.35858	0.1
95.04965	0.2
97.02871	1.8
98.21501	0.4
99.04448	0.3
99.21154	0.2
103.05387	0.1
105.03387	0.2
107.04930	0.4
109.02878	0.9
111.00794	0.4
111.04429	0.6
116.96404	0.2
119.04935	10.8
121.02867	2.6
127.03908	1.1
129.05460	2.3
133.02803	0.3
137.02365	0.7
145.04942	0.4
145.06573	0.2
147.04398	46.8
148.04747	0.6
153.01805	2.8
157.06496	0.4
165.01823	1.7
165.05478	1.5
171.04391	0.3
173.05890	0.2
183.02855	0.8
185.05965	0.4
189.05554	0.2
197.05963	0.2
213.05554	1.0
229.04755	0.2
229.48955	0.3
231.06488	0.6
241.04988	0.7
243.06590	0.2
258.05194	1.1
259.06039	0.3
269.04352	0.2
287.05472	100.0
288.05820	1.5
291.08444	0.2
293.10367	0.2
299.05582	0.8
299.28693	0.2
309.09674	1.6
329.06296	0.2
353.06540	0.2
365.06479	0.3
395.07626	0.2
449.10425	0.4
455.15414	0.3
524.55060	0.2
595.14697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2016
Annotation	UNII-7NMJ4SI4P6
Peak:m/z	Relative Intensity
53.03944	0.2
55.05495	0.3
57.03432	1.3
57.64674	0.1
58.80973	0.1
61.02912	0.1
65.03932	0.8
68.76703	0.1
68.99799	0.5
69.03437	0.2
70.18664	0.7
71.01356	0.2
71.04987	6.9
75.04462	0.3
79.44368	0.1
81.03409	0.2
83.04965	0.5
83.86072	0.1
83.96078	0.1
85.02900	6.8
91.05472	7.0
92.05807	0.1
97.02879	0.2
105.03381	0.3
107.04921	0.5
109.02876	0.4
111.00797	0.7
111.04414	0.4
119.04931	15.5
120.05286	0.2
121.02858	2.6
123.74336	0.1
127.03916	0.4
129.05470	1.5
129.07005	0.1
131.04921	0.2
133.02846	0.4
137.02335	0.9
141.06956	0.2
145.06467	0.4
147.04396	52.8
148.04720	0.9
153.01816	3.4
157.06450	0.5
161.06041	0.2
165.01852	1.9
165.05481	0.8
171.04405	0.3
175.03889	0.2
183.02881	1.0
185.06003	0.8
189.05453	0.2
197.05977	0.2
201.05411	0.1
203.06973	0.2
213.05443	1.6
215.06999	0.2
229.04912	0.3
231.06487	1.5
241.04941	0.8
258.05206	1.1
259.06000	0.4
269.09073	0.2
273.07513	0.2
275.08948	0.2
287.05472	100.0
288.05811	2.9
291.08594	1.2
309.09589	0.8
329.06503	0.3
343.83273	0.1
449.10641	0.2
651.62457	0.2
717.12500	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2012
Annotation	Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
51.87625	0.1
55.05503	0.2
57.03436	1.1
59.17008	0.1
65.03934	0.8
68.99477	0.1
68.99776	0.6
69.03407	0.3
69.26927	0.2
69.27329	1.4
71.04987	6.9
73.02898	0.2
75.04452	0.3
79.05470	0.2
81.03400	0.3
83.04961	0.3
85.02898	7.1
87.04452	0.2
91.05470	5.1
95.04956	0.2
96.80715	0.1
97.02889	0.6
99.04475	0.2
103.05460	0.6
105.03383	0.3
107.04950	0.4
109.02866	0.4
111.00812	0.6
111.04445	0.5
115.05384	0.1
119.04928	12.9
120.05247	0.2
121.02858	2.7
124.54626	0.1
127.03905	0.4
129.05470	1.6
129.06990	0.2
131.04910	1.4
133.02826	0.5
137.02332	0.8
145.06453	0.3
147.04393	53.6
148.04774	0.8
153.01805	3.8
157.06461	0.5
159.18199	0.1
161.06006	0.3
162.19609	0.1
165.01822	1.9
165.05464	2.0
169.06453	0.1
171.04378	0.2
173.05954	0.2
180.24048	0.1
183.02902	0.9
185.05952	0.5
189.05518	0.2
197.06143	0.1
201.05428	0.2
203.07053	0.2
213.05421	1.4
229.04962	0.2
231.06442	1.0
238.25571	0.1
241.04877	0.9
242.05371	0.1
243.06386	0.2
257.04382	0.1
258.05270	1.3
259.05945	0.3
269.04410	0.3
273.07431	0.1
287.05463	100.0
288.05777	2.8
288.08817	0.2
291.08676	0.6
293.09930	0.2
309.09665	1.2
329.06393	0.3
449.10632	0.4
577.13342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
54.06602	0.6
55.01852	3.1
55.05272	1.2
55.05509	15.6
57.03432	11.8
57.07050	2.8
60.26157	0.6
61.02930	0.9
65.03932	2.2
67.05499	48.7
69.03406	3.0
69.06721	1.1
69.07065	12.4
71.04975	3.4
73.02900	2.0
75.15206	0.7
77.03907	0.8
79.05489	47.2
81.03404	2.5
81.07050	49.0
82.07381	0.9
83.04967	4.8
83.08612	10.9
85.02883	2.0
85.06523	1.7
91.04899	1.3
91.05466	18.8
93.07038	61.8
94.07339	0.9
95.04384	0.8
95.04971	11.6
95.08601	65.0
97.02884	4.8
97.06516	4.9
97.10143	1.7
99.04456	4.8
99.08076	0.8
103.05508	1.2
105.04472	1.0
105.07022	14.8
107.04942	9.6
107.08588	40.5
109.06503	2.9
109.10149	11.8
111.04428	0.8
111.08051	1.8
117.07008	12.9
119.07798	1.2
119.08583	15.1
121.06503	5.4
121.10136	22.8
123.11685	2.6
125.05965	2.5
126.39063	0.6
127.07563	1.0
130.07753	2.1
131.08583	6.3
133.10123	7.7
135.08022	2.4
135.11682	58.3
137.13283	1.0
139.07516	2.3
143.08554	1.1
145.10112	35.4
147.11670	2.1
149.13220	3.4
153.12730	1.0
155.08539	0.8
159.11746	2.4
161.13229	1.7
163.11166	64.1
164.11528	1.1
173.09567	1.0
173.13225	1.7
175.14828	1.2
181.12227	11.9
209.11754	1.5
227.12766	95.2
228.13184	1.5
243.21036	2.4
261.22137	8.6
283.15381	91.3
284.15756	1.4
285.26196	0.7
317.24750	2.9
317.75714	0.7
335.25772	100.0
336.26190	3.0
342.23102	0.9
361.70642	0.8
438.23691	0.9
543.36786	83.4
544.37091	4.5
588.75281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.28260	0.6
54.87353	0.5
55.01872	2.6
55.05508	15.6
57.03432	11.3
57.07054	2.0
61.02925	1.3
65.03938	1.1
67.05502	43.9
69.03405	1.6
69.07063	12.9
69.94527	2.1
71.04986	2.8
73.02908	1.5
79.05489	37.2
81.03403	1.8
81.07050	45.1
83.04973	4.0
83.08617	9.7
83.25528	0.5
85.02895	1.4
85.06538	0.9
91.03974	0.6
91.05476	17.6
93.07038	55.3
94.07403	0.6
95.04956	8.2
95.08601	52.8
97.02902	2.8
97.06509	3.3
97.10141	2.0
99.04436	2.6
99.08079	0.8
105.04470	0.6
105.07024	13.5
107.04948	7.1
107.08588	34.9
109.06491	2.3
109.09389	0.6
109.10146	11.5
111.04433	0.8
111.08068	1.0
117.07006	9.7
119.08575	14.0
121.06528	4.3
121.10141	19.1
121.11029	1.1
123.07984	0.8
123.11678	3.2
125.05955	1.7
125.09618	0.6
130.07755	1.5
131.08553	4.2
133.10127	6.8
133.44650	0.6
135.08064	1.9
135.11684	44.6
137.13231	1.0
139.07547	1.6
143.08507	1.1
145.10110	26.1
146.10512	0.6
147.11670	3.1
149.09668	0.8
149.13228	3.2
153.12706	0.7
159.11702	2.5
161.13269	1.3
163.11169	46.7
163.14821	1.1
173.13269	1.7
175.14789	1.0
177.16377	0.6
178.64861	0.6
181.12215	7.2
187.14809	1.3
209.11748	0.9
227.12766	58.8
228.13109	0.7
243.21030	2.1
256.31839	0.5
261.22098	7.0
266.94601	0.5
283.15378	46.9
284.15787	0.9
317.24667	1.9
335.25778	100.0
336.26166	2.9
354.10559	0.6
521.63300	0.6
543.36780	70.9
544.37341	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	737.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.8
55.01863	4.2
55.05509	17.3
57.03442	8.8
61.02924	11.3
62.91072	1.5
65.03929	2.6
65.77317	1.4
67.05175	1.3
67.05500	31.0
69.03422	5.6
69.07074	12.7
70.94167	4.3
71.05004	4.1
73.02903	3.7
79.05491	32.2
81.03429	3.9
81.07054	71.5
83.04988	9.9
83.08614	10.4
85.02907	9.6
85.06564	3.0
91.03940	3.3
91.05478	34.5
93.07043	25.9
94.07428	1.7
95.04965	8.7
95.08600	27.2
97.02893	6.7
97.06528	6.4
99.04506	1.7
99.08108	3.5
101.02361	2.1
103.05476	2.3
105.07028	41.1
107.04957	5.9
107.08598	17.4
109.02832	1.7
109.06519	10.7
109.10141	7.1
111.08073	4.4
115.05475	4.3
117.07026	18.3
119.04978	3.1
119.08584	31.5
121.06505	4.8
121.10133	18.7
123.08089	6.6
123.11690	15.2
127.03931	2.6
127.07447	1.6
128.06171	3.7
129.06973	11.7
130.07785	2.3
131.08562	22.2
133.06491	11.2
133.10159	10.6
135.08073	4.1
135.11673	3.2
137.09636	1.9
137.13223	1.9
141.07024	2.1
142.07797	3.5
143.08591	11.7
145.06462	3.8
145.10124	29.6
147.08061	6.5
147.11679	41.8
148.63591	1.5
149.09624	3.3
149.13272	2.6
155.08553	4.2
157.10101	16.3
157.11157	1.7
159.08035	2.8
159.11716	13.7
161.09621	9.0
161.13196	2.8
163.11211	5.8
165.07124	1.6
165.12737	15.8
167.08621	1.7
169.10117	4.7
171.11667	9.7
173.09598	5.1
173.13289	2.5
175.11157	10.6
175.14908	1.9
177.12770	5.2
177.76903	1.6
181.10123	3.1
183.11707	2.1
183.13737	2.1
185.09622	3.2
185.13251	3.3
187.11215	2.2
187.14816	2.7
189.12648	3.1
191.10718	2.7
193.10234	1.3
193.12296	1.8
195.11725	3.9
199.11198	1.6
199.14705	2.5
203.18121	1.4
205.24652	1.4
209.13260	4.1
211.14861	1.8
213.12738	2.6
215.14265	2.5
217.12233	1.9
217.19472	1.8
227.17966	8.6
229.14218	3.4
237.16364	7.9
245.19040	11.4
255.17398	15.7
267.15909	36.3
273.18488	100.0
274.18710	1.6
275.20004	1.7
285.16956	41.6
291.19577	6.0
329.21271	2.5
347.22131	38.5
365.23499	2.3
407.36508	2.4
557.34692	31.5
575.35510	17.3
608.85956	1.5
737.36420	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	737.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.6
55.05447	0.9
57.03391	0.6
61.02864	0.8
63.48854	0.5
65.68505	0.5
67.05417	1.6
68.22784	0.5
69.03330	1.5
69.07009	0.8
70.75791	1.9
72.04423	6.5
73.02831	0.9
79.05412	0.6
81.03312	1.7
81.06963	2.0
81.07385	0.5
85.02869	2.5
91.05393	0.8
93.06955	1.2
95.04901	0.8
95.08527	1.0
97.02811	1.1
97.06504	0.7
105.06958	1.3
107.07299	0.7
107.08521	1.1
109.02776	0.7
109.06418	0.7
109.10058	0.7
117.03278	0.5
117.05617	0.8
118.06510	3.8
119.08460	0.8
120.07951	0.6
127.03841	1.1
130.04875	0.8
130.06416	1.6
131.07207	1.2
132.08046	3.8
133.08780	0.8
133.09949	0.6
137.05911	1.0
144.08060	2.9
145.02760	0.6
145.08817	0.7
145.09940	0.7
146.09671	4.7
151.07430	0.6
156.08049	0.6
158.09534	1.5
159.10391	0.7
160.11055	0.8
170.09502	0.6
172.11122	2.5
177.05331	1.8
189.10219	2.7
201.10194	0.9
202.15820	0.8
203.11800	2.7
214.15833	0.6
217.13329	3.2
228.17361	1.0
230.15335	0.6
242.18997	0.8
256.16962	1.1
274.18018	0.9
276.69873	0.6
287.21118	0.9
303.04904	0.6
312.26678	1.3
317.18671	0.7
324.26807	2.8
331.04410	0.7
332.05029	0.7
340.26398	6.0
353.29089	0.5
356.25848	1.0
358.27457	0.6
368.25818	19.8
369.26358	0.7
381.83795	0.5
386.22119	1.1
386.26822	14.3
394.27817	0.9
404.27966	3.5
412.28391	1.7
429.11969	3.2
430.29443	4.9
438.26431	1.3
442.29395	4.6
445.30777	1.9
457.30530	1.9
460.30515	12.1
465.27725	0.7
473.30136	0.7
475.31650	6.3
478.31799	0.7
483.28720	2.8
486.32181	5.5
501.29782	1.6
513.32935	3.8
515.34698	0.8
529.32745	0.9
530.31061	2.8
531.34277	32.6
532.34613	1.2
557.32080	11.4
558.30609	14.0
575.33215	100.0
576.33478	2.8
648.37036	1.2
677.79199	0.7
693.39478	7.9
720.36005	3.3
737.38507	36.5
738.39044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.4
57.03391	1.6
57.03642	0.6
61.02894	0.7
67.05445	1.9
69.03383	1.2
69.07027	1.1
69.94999	2.1
69.95404	1.2
70.06554	0.9
72.04507	6.4
73.02864	1.8
73.12214	0.6
79.05434	0.9
81.03368	1.6
81.07026	1.2
82.06507	0.7
83.08561	1.2
85.02843	2.8
91.05409	1.8
93.06989	1.9
93.69934	0.6
95.04910	1.0
95.08570	1.7
97.02840	1.5
99.04335	0.8
103.05386	0.9
105.06979	1.5
106.06498	0.9
107.07317	1.2
107.08537	1.5
109.10095	1.5
117.05685	0.9
118.06529	3.7
119.07198	0.6
119.08535	0.8
120.08012	1.4
121.10065	0.9
127.03857	1.3
130.06467	1.7
131.08516	1.0
132.08055	3.4
133.10059	1.2
137.05904	2.1
144.08101	3.8
145.02786	1.1
145.10039	1.4
146.09654	3.8
147.04350	0.9
147.11566	1.2
158.09561	2.7
167.06993	1.4
170.09583	0.9
172.11124	2.8
177.05383	2.3
189.10136	1.9
201.10181	0.6
202.15793	1.2
203.11784	3.3
214.15729	0.9
215.11943	0.8
216.17438	1.0
217.13380	3.9
228.17393	0.8
231.14784	1.1
256.16895	1.8
260.16296	1.1
269.10568	0.7
274.17993	0.8
283.72565	0.7
287.05405	0.7
287.20938	0.7
312.26721	1.1
324.26776	3.0
340.26337	6.6
356.25754	1.1
359.23279	0.9
368.25812	20.8
374.26758	1.1
386.26837	14.4
404.27930	4.8
410.26483	0.9
412.28375	1.6
423.43964	0.9
430.29495	4.6
438.26288	2.0
439.29950	1.0
442.29446	4.5
445.30664	1.8
456.27325	1.3
457.30536	2.2
460.30521	12.5
460.36728	1.1
475.31641	7.6
483.28543	4.1
486.32086	5.6
501.29605	1.8
512.30164	0.8
513.33234	3.9
529.32874	1.6
530.30927	3.0
531.34229	34.2
532.34711	1.6
557.32269	12.2
558.30542	14.8
575.33228	100.0
576.33386	2.6
629.81439	0.7
648.37555	1.8
693.39508	9.8
720.35858	2.5
737.38458	43.4
738.38202	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	737.144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	81.1
56.96842	3.9
71.92827	1.6
71.95271	2.2
74.97600	5.1
84.96028	26.9
85.02895	4.7
91.05482	3.4
98.97572	80.3
102.97067	5.6
110.97544	20.4
110.98229	1.8
116.98615	73.6
117.03353	2.0
119.04930	8.6
127.03873	1.7
128.98599	43.5
131.00128	3.0
134.02451	1.6
134.99652	36.7
139.00755	1.6
140.00165	2.7
140.98570	8.1
143.00142	18.0
144.98047	2.6
145.01767	2.9
145.02870	5.2
146.99646	47.8
147.04391	37.7
149.01196	3.8
150.99228	2.0
152.98634	2.6
153.00658	2.9
156.98116	2.1
158.01346	1.7
158.99641	36.1
161.01205	31.9
162.99142	4.0
163.89909	1.7
165.00710	10.4
168.98016	2.1
170.99638	35.5
173.01279	4.6
173.02972	2.5
174.99138	8.2
177.00714	41.4
177.02150	2.4
177.05472	13.6
178.08089	1.7
179.02292	8.8
182.99657	12.3
185.01198	5.4
185.02855	2.7
186.99146	7.4
187.02823	2.1
188.99004	3.2
189.00697	58.4
190.98586	2.0
191.02191	2.5
193.00192	6.5
195.01736	8.8
195.03261	2.4
200.02336	3.0
201.00682	89.0
202.98596	2.0
203.00258	7.0
203.02211	3.9
205.00185	5.0
207.01724	9.6
209.01215	3.8
211.02773	4.0
212.02306	2.0
213.00757	6.5
213.04318	19.4
215.02287	2.1
217.00157	3.3
219.01749	88.2
220.99284	2.9
221.01151	18.7
221.02924	3.5
223.02797	3.0
224.02252	2.9
227.02290	3.1
229.00275	4.0
231.01837	9.5
231.05362	2.3
235.02939	3.4
237.02789	40.4
239.02254	90.5
242.03392	4.9
243.01738	26.7
245.01062	2.1
245.03163	1.8
247.01196	3.5
248.99083	8.0
253.03731	8.2
255.03819	5.3
257.00668	4.4
257.03317	89.1
259.21414	1.7
260.04382	3.1
261.02805	100.0
262.03824	5.7
263.02148	8.9
267.00156	9.2
271.04901	2.7
273.02802	8.3
275.02206	2.4
277.03952	3.1
279.03888	61.4
279.06903	3.4
280.04797	2.4
281.03290	29.9
285.00787	3.5
287.04547	2.3
289.03989	2.4
291.00302	10.0
291.03882	18.3
293.03610	2.2
295.04919	3.9
299.04404	10.4
301.02405	2.0
302.05386	4.7
303.01724	5.2
304.04828	2.5
305.03214	4.9
307.04706	2.1
309.01288	4.8
309.04770	2.9
311.04346	3.2
321.01706	3.4
321.05011	42.9
323.04355	7.4
331.03418	3.1
333.04922	6.6
335.04306	4.5
345.02600	2.6
347.04382	2.5
348.99472	2.4
349.04205	4.3
351.02203	2.7
351.06290	10.1
353.05017	3.3
363.03424	1.8
365.05478	10.1
377.01538	4.2
381.06918	7.2
383.06482	19.0
393.03506	14.1
395.02744	15.9
399.08188	13.2
407.06418	18.2
411.04437	8.3
413.04004	12.9
419.02966	2.4
425.07269	5.6
437.03983	6.7
447.05908	4.5
455.07034	44.3
457.08698	2.8
465.06982	6.6
481.08936	2.4
493.08585	6.8
511.09659	6.6
539.07141	8.6
545.11725	52.2
555.08533	13.0
557.08331	13.7
573.09534	15.9
627.12195	21.3
651.07947	1.8
701.11462	2.2
719.13531	13.4
737.14313	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	736.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.6
57.07064	8.9
61.94207	1.9
67.05504	22.5
69.07066	23.5
70.18556	8.6
72.16804	1.8
79.05500	13.9
81.03411	3.7
81.07054	56.3
83.08604	15.7
85.02885	4.7
90.03912	1.9
91.05476	14.3
93.07038	36.4
94.58382	2.0
95.04907	2.1
95.08600	91.7
97.10167	11.8
105.07017	25.0
107.07865	3.5
107.08593	56.3
109.10152	57.8
109.10909	3.3
113.02357	1.9
119.08578	44.5
121.10142	53.3
122.10517	2.5
123.08089	2.8
123.11707	28.6
131.08527	10.9
133.10121	32.7
135.11691	35.1
137.13254	21.9
140.85204	2.5
141.01791	2.6
143.08566	3.0
145.10143	20.6
147.11673	27.9
149.13255	43.3
151.14795	4.0
153.09143	3.9
159.11703	12.1
159.12837	2.3
160.12515	2.1
161.13258	16.3
163.14806	13.6
171.11736	2.1
173.13257	11.5
175.14824	15.5
177.16351	10.5
179.10699	2.4
179.17935	6.2
184.07388	2.4
187.14824	7.6
189.16383	55.7
191.10712	2.9
191.16197	4.2
191.17940	79.7
198.17548	1.8
201.16380	74.2
202.16663	2.2
203.17958	63.5
205.19499	65.3
207.17508	2.0
211.15112	1.8
213.16460	3.3
215.17953	33.9
217.19536	21.7
219.17494	2.9
221.15407	2.6
227.17886	2.4
229.19495	4.8
231.21024	4.3
233.15274	2.1
235.16913	14.5
241.19470	5.3
243.21082	8.8
245.14894	2.3
245.22604	6.4
247.16940	39.7
249.18471	8.7
255.21088	4.9
257.22693	3.2
261.18423	16.2
269.22574	2.8
275.20056	3.2
280.62454	2.0
287.20111	2.1
289.21616	5.6
301.21591	2.2
328.65799	2.0
329.24661	2.5
335.26093	2.5
355.26245	2.4
393.35114	22.6
421.34662	3.0
439.35696	100.0
440.36142	3.5
475.13095	2.7
484.96286	2.2
592.17401	2.4
673.06964	2.4
737.34924	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	735.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01862	12.4
55.05503	23.6
57.03420	9.1
57.07067	3.7
65.03928	5.8
67.05504	75.1
69.07052	14.1
71.04984	4.8
71.57955	5.2
79.05490	55.6
80.32567	3.8
81.03445	7.6
81.07059	85.8
83.04990	4.1
83.08618	10.9
85.02893	4.8
87.31555	3.2
89.26836	3.4
91.05473	34.9
93.07037	55.6
94.11372	3.0
95.01332	44.8
95.04952	12.9
95.08603	53.1
97.10162	5.3
99.04375	3.2
105.07030	27.7
107.04946	10.3
107.08611	33.1
109.02892	5.1
109.06493	5.5
109.10136	19.1
113.40723	3.2
117.07024	10.2
117.75442	3.1
119.04922	4.2
119.08583	24.5
121.02811	5.6
121.10155	30.7
123.04439	5.8
123.08084	6.0
123.11699	12.2
125.02340	8.7
127.03933	4.1
129.06985	8.3
131.08569	17.8
133.06493	4.6
133.10117	21.3
135.08051	6.1
135.11682	17.8
137.02304	9.5
137.13283	4.9
139.03839	3.8
141.01868	8.5
141.73845	3.7
143.08496	8.0
145.10106	18.2
147.11638	7.6
149.09560	6.7
149.13255	9.2
151.03883	7.4
155.08499	3.7
157.06464	6.4
157.10168	4.3
159.11703	10.2
161.09659	9.4
163.11119	5.1
163.14815	7.0
165.01813	22.0
165.05556	3.9
165.06984	4.7
167.03358	8.8
169.10088	4.8
171.08080	5.0
173.09656	5.6
173.13246	8.5
178.07828	5.4
185.09590	7.6
187.14893	4.5
189.09161	6.8
191.10692	10.8
205.04967	7.6
207.10095	9.6
213.09135	5.1
217.08794	4.4
229.12302	3.8
235.09512	6.6
239.06993	5.0
239.10715	5.7
241.08612	4.6
241.12250	6.5
243.21123	8.1
249.03882	5.2
253.10643	5.0
257.11612	4.5
259.13312	19.6
261.22101	42.2
261.39447	3.7
283.09537	4.2
285.11200	10.1
301.10754	16.9
303.12146	7.1
311.09149	12.4
317.24725	15.2
319.11597	16.9
321.13315	9.6
329.10104	11.7
335.25778	100.0
337.12692	20.1
347.11356	18.5
365.12164	23.3
381.38373	4.1
457.17081	55.3
643.34436	5.0
717.38458	27.8
735.41479	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01871	9.9
55.05517	22.5
57.03427	11.2
57.07048	5.0
58.94260	3.5
65.03938	3.7
67.05505	79.2
69.03418	4.3
69.07072	15.9
71.58232	5.4
79.01842	3.8
79.05497	63.9
81.03409	10.0
81.07052	67.1
83.04969	3.9
83.08623	9.2
85.02851	4.1
85.06503	3.4
85.93320	3.0
91.05479	44.1
93.07037	69.7
95.01317	35.9
95.04961	15.3
95.08603	54.0
95.68493	3.4
97.02936	4.7
97.06522	4.7
97.10166	7.6
103.85027	3.7
105.07024	30.4
107.04970	9.3
107.08570	39.5
109.02894	4.6
109.10149	26.6
111.00769	5.8
113.09639	3.6
117.07040	16.8
119.08582	23.5
120.45200	3.4
121.10141	37.5
123.04430	4.8
123.08044	4.2
123.11724	16.0
128.06226	6.2
129.07005	4.4
131.08553	19.1
133.06479	6.9
133.10091	17.7
135.08038	7.6
135.11659	21.2
137.02336	11.9
141.01869	10.1
143.08553	5.7
145.06544	5.6
145.10136	24.5
147.04431	8.0
147.11734	9.0
149.02347	5.3
149.09702	5.2
149.13263	14.9
151.03897	7.0
157.06465	4.0
159.11707	9.8
161.09663	10.6
161.13297	6.4
163.03989	3.9
163.11221	5.8
163.14830	9.1
165.01846	21.7
167.03464	8.3
169.06573	3.5
171.08029	4.2
173.09650	5.7
173.13249	8.1
175.03995	3.9
185.09543	4.6
187.03911	3.5
187.14775	6.3
189.09103	8.0
191.10698	8.5
205.04964	6.2
207.10204	8.5
209.11682	3.7
229.12241	5.1
235.09630	6.9
237.09160	5.2
239.10742	4.2
243.21089	14.6
257.11920	4.9
259.13278	27.0
261.22153	72.4
283.09714	5.0
285.11255	9.3
301.10580	17.1
303.12268	8.5
311.09235	12.0
317.24771	10.2
319.11804	17.9
321.13339	10.0
329.10062	12.7
335.25793	100.0
337.12692	18.0
347.11063	16.5
365.12280	13.3
457.17047	57.8
643.33813	3.4
717.38409	26.3
735.41583	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05518	0.9
57.03429	2.0
61.02924	5.8
67.05508	6.4
69.03419	3.2
69.07072	1.8
73.02912	4.1
79.05485	4.3
81.03419	1.5
81.07059	5.7
81.73070	0.7
85.02909	6.1
91.03976	3.9
91.05475	1.7
93.07044	4.4
95.08592	4.2
95.24075	0.8
97.02898	4.1
97.06535	0.9
101.02385	2.3
105.06998	0.9
107.08604	1.7
109.10151	1.6
110.20970	0.8
119.08631	0.8
121.10115	1.5
121.58343	0.8
127.03895	1.0
133.10135	1.6
149.13243	1.0
185.04164	1.0
191.42509	0.9
192.25465	0.9
243.08357	1.5
293.51538	0.8
453.21045	3.4
512.71747	0.9
519.29254	8.9
731.43372	100.0
732.43835	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	733.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01858	5.3
55.05505	18.5
57.03426	10.7
57.07070	5.0
59.05006	2.0
61.02921	9.1
64.95644	1.5
65.03946	2.5
65.04314	1.7
67.05502	32.7
69.03423	15.9
69.07066	28.4
69.28854	2.4
69.29256	17.2
71.01353	9.0
73.02915	67.7
76.73466	1.6
79.05481	17.8
81.03424	4.8
81.07054	51.4
83.04970	2.9
83.08607	15.5
85.02903	33.4
91.05476	21.5
93.07039	34.9
93.79960	1.9
95.01316	17.4
95.04960	5.9
95.08603	100.0
97.02888	28.0
97.06533	1.8
97.10162	8.0
99.00827	2.8
101.02387	2.1
103.03940	2.8
105.07022	44.0
107.04939	3.2
107.08591	55.9
109.02886	2.6
109.10153	72.9
111.04458	2.6
111.11709	5.6
113.02382	5.1
115.03944	18.5
117.07033	7.8
119.08579	62.6
121.10140	54.7
123.08079	2.0
123.11695	30.0
125.09646	1.8
127.03881	3.7
129.07018	3.5
131.03407	2.6
131.08542	17.0
133.04950	8.4
133.10120	43.1
133.11084	2.7
135.11687	40.4
136.06091	2.0
137.13254	10.4
139.03925	4.5
141.01820	37.7
143.08578	3.5
145.10124	24.2
147.11682	44.3
149.13243	29.4
151.03842	3.3
157.10156	6.9
159.02890	5.5
159.11690	25.7
161.13255	34.5
163.03952	2.1
163.14822	23.2
171.11679	5.2
173.13271	18.3
175.14822	28.3
177.16380	38.6
179.17953	3.5
183.03011	2.0
185.13306	3.5
187.14816	21.4
189.16376	76.8
191.17949	61.0
199.05998	2.5
199.14888	3.8
201.16365	35.2
203.17947	51.6
205.19534	20.7
213.16444	4.2
215.17926	22.1
217.07094	9.5
217.19498	40.6
219.21121	7.0
227.17972	6.8
229.19510	22.1
231.21080	13.4
241.19560	7.3
243.21103	9.0
245.22665	6.1
255.21045	6.2
257.22562	12.1
259.20660	5.4
269.22678	7.9
271.24240	7.2
283.24197	3.5
297.25812	11.8
311.27197	2.8
333.24265	6.1
365.32001	3.9
407.36707	65.8
408.37354	2.1
425.37811	5.0
457.17102	2.3
692.29828	1.9
733.45715	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	731.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01895	4.3
55.05514	10.9
57.03416	2.6
57.07088	3.3
65.03926	3.6
65.14497	2.3
67.05496	20.7
69.03437	6.2
69.07072	13.4
71.01360	4.5
71.11780	6.9
79.05480	14.4
81.03445	3.5
81.07056	41.4
83.08624	7.7
85.02898	47.6
87.00821	3.9
91.05466	23.0
93.07044	34.4
95.01324	14.5
95.04955	12.8
95.08609	61.8
97.02915	7.5
97.06523	3.4
97.10180	5.1
105.07034	46.4
107.08588	50.9
109.10147	24.7
111.08071	4.3
113.02379	3.6
115.05521	2.7
117.07034	10.0
119.08579	79.7
120.43336	2.4
121.06468	3.6
121.10160	31.4
122.03668	3.0
123.08050	5.7
123.11736	9.2
129.07062	3.4
131.08563	33.6
133.10120	58.4
133.11069	3.3
135.11693	12.8
137.05962	16.6
137.09669	2.7
141.01831	22.5
143.08583	9.5
144.09325	4.7
145.04964	4.5
145.10129	59.3
147.08095	3.1
147.11674	39.2
149.13239	21.1
151.14743	3.0
153.09091	3.1
157.10170	11.6
159.08102	3.2
159.11676	32.9
159.12875	3.1
161.09631	5.5
161.13254	30.5
163.11160	2.8
163.14828	23.1
169.10104	3.5
170.10945	2.5
171.02942	4.2
171.11743	8.9
173.09659	3.4
173.13261	45.8
173.14673	3.0
175.11200	4.1
175.14827	55.8
177.16357	23.7
183.11763	4.3
185.13286	9.9
187.14810	91.8
189.16379	78.6
191.10625	2.5
191.14406	10.6
191.17943	7.3
197.13300	3.6
199.14839	10.8
201.12621	3.2
201.16379	35.5
203.05357	4.8
203.14413	4.2
203.17955	54.2
203.19707	3.5
205.15858	2.9
207.17538	5.6
211.14795	2.6
213.16457	7.6
215.14481	4.4
215.18051	8.3
217.15953	7.1
221.15393	3.5
225.16431	3.2
227.17989	4.7
229.19536	6.3
231.17477	5.1
233.15298	3.5
235.17003	6.7
237.16251	3.8
239.18167	3.7
241.19481	5.0
245.03036	4.9
247.17140	4.4
249.18600	8.5
271.06137	3.8
279.21078	2.9
295.24185	3.6
299.94675	2.4
327.23141	3.2
377.31903	13.6
389.32544	2.9
395.33200	23.8
405.31427	18.2
423.32590	57.6
441.33881	10.5
451.32385	8.2
465.17624	3.3
487.21698	2.7
569.29419	14.8
627.35229	11.2
667.34778	23.1
685.36188	7.2
731.34747	100.0
732.35498	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	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29768	1.5
59.51978	1.7
67.05486	3.5
69.07059	2.8
70.82895	3.6
70.83250	2.8
73.29589	1.6
79.05489	6.2
81.07056	4.8
85.02905	6.7
91.05477	5.3
93.07035	8.4
93.35327	1.6
94.06573	6.7
95.01284	1.5
95.04978	3.0
95.08595	10.1
97.02860	2.1
101.02360	1.9
103.05477	1.9
105.07040	6.2
106.06549	2.6
107.08602	6.0
108.08112	7.6
109.10178	5.5
110.09669	2.0
116.04974	2.5
116.66892	1.4
118.06522	1.5
119.08568	12.1
120.04460	1.9
120.08095	24.2
121.10155	6.6
122.06033	18.0
124.07583	2.1
131.08582	2.7
133.10164	6.1
134.06007	2.0
135.11726	1.9
136.07571	16.3
138.09148	1.8
141.01839	4.4
144.04501	3.5
145.10141	6.5
146.06003	8.6
147.11722	4.5
148.07559	50.1
150.09171	4.9
152.07085	12.0
157.10133	2.0
159.11708	4.2
160.07724	1.5
161.09625	2.1
161.13278	3.4
162.05466	1.9
163.14783	2.5
164.07120	6.7
166.08656	9.5
172.03905	12.3
173.13260	3.7
175.11290	1.5
175.14897	6.1
177.16470	1.7
187.14757	8.6
189.16391	11.6
190.04970	10.8
196.09996	1.5
197.10724	2.7
198.11571	3.5
199.12241	2.2
199.14967	1.9
201.16399	4.0
202.14453	1.4
203.05270	1.8
203.18016	6.9
204.06549	15.9
208.09921	1.9
209.10844	1.6
210.11549	2.7
211.12248	9.9
221.15411	1.7
222.11424	2.3
223.12376	6.3
224.09416	3.6
225.10327	6.9
225.13869	2.3
226.11040	4.9
227.11844	4.1
235.08731	2.4
235.12199	1.8
236.09486	3.2
237.10211	9.2
238.10982	8.6
239.11778	11.5
248.09549	4.1
249.10188	8.5
250.10999	5.9
251.11803	15.5
252.08795	5.0
252.12679	5.4
253.09666	3.3
253.13419	4.0
255.11377	5.2
256.12067	4.5
259.07822	2.9
262.11075	5.0
263.11765	16.4
264.08914	5.5
264.12714	5.0
265.09628	8.6
265.13376	7.9
266.10556	4.6
267.11227	13.6
267.13583	1.4
269.13022	4.1
271.06085	2.6
271.11102	2.4
271.14508	5.7
277.09790	3.4
278.10641	2.8
279.11255	29.3
280.12061	4.1
281.12845	9.5
283.10861	2.0
284.11462	7.2
285.12320	33.3
287.13885	3.5
291.11227	13.0
292.12106	4.3
293.09677	3.7
293.12747	14.9
295.10565	2.1
296.11600	3.8
297.12311	34.6
298.12668	2.4
307.10773	5.7
309.12311	16.3
310.13248	4.1
311.10587	2.4
311.13934	3.6
319.10773	10.8
321.12338	13.3
323.10394	6.9
324.10931	2.1
325.11865	13.9
327.13260	3.8
337.11816	48.4
339.13406	7.7
344.17847	2.3
347.09494	2.3
355.12924	3.4
356.13782	2.0
357.14639	3.4
359.12610	2.4
365.10690	2.9
367.13025	1.8
369.14349	3.5
370.15479	2.8
372.17029	2.4
377.32251	2.1
385.14032	7.1
395.33224	4.2
404.20044	3.3
405.31720	3.1
407.23865	2.2
411.12018	6.8
413.13171	2.1
414.18332	2.0
416.20435	2.1
418.16974	2.4
423.32623	5.0
430.17661	6.2
431.18375	2.4
432.19351	3.1
441.33691	2.1
444.19351	2.8
445.16037	1.8
446.20840	5.2
448.18619	16.1
457.20490	3.3
460.18652	16.0
471.21817	2.4
472.18689	6.8
474.20215	4.9
478.19107	2.5
488.22083	2.3
490.19788	5.0
491.20563	4.8
492.21426	6.4
516.22552	2.6
517.35931	1.6
518.19336	6.7
520.20764	5.0
532.20953	6.9
535.19312	20.2
536.20068	16.7
548.20325	3.6
562.18225	4.7
563.19141	4.2
564.20197	4.5
567.25671	1.8
569.29150	10.6
576.19733	53.3
577.20422	7.7
578.20856	7.7
595.25238	7.8
608.22150	9.3
609.22833	7.2
613.26257	9.9
637.26434	3.4
655.27307	2.2
667.34998	3.3
681.25568	6.5
699.26410	24.9
731.34570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46386	6.1
56.96554	9.4
65.03931	6.7
67.05485	21.0
69.03412	11.9
69.07061	7.4
70.20658	31.3
71.01355	12.1
71.04984	6.5
72.16118	7.3
79.05487	16.4
81.03415	8.5
81.07036	19.0
83.04974	9.1
83.08611	7.8
85.02905	32.1
87.00842	6.2
91.05479	26.9
93.07038	24.3
95.04939	14.5
95.08587	25.3
97.02860	12.6
98.20226	7.7
99.04450	12.2
100.08829	6.9
101.02346	24.2
101.46235	6.2
103.05463	8.2
105.07013	18.5
106.06602	8.2
107.07344	6.8
107.08591	24.6
108.08090	19.5
109.10131	24.4
116.27094	6.4
117.07030	8.7
118.06538	6.8
119.08572	14.8
120.08106	54.9
121.10147	18.8
122.06008	33.8
122.09642	7.5
123.11687	8.5
127.03913	17.8
129.06998	6.9
133.10114	18.5
135.11662	11.9
136.07555	29.1
137.05969	16.5
138.09167	6.8
141.97594	7.2
144.04489	9.7
145.04973	58.2
145.10153	7.1
146.05920	10.0
147.11638	14.2
148.07564	100.0
150.09180	17.3
152.07051	25.7
152.08331	6.1
159.11621	9.1
161.13260	11.4
164.07011	20.2
166.08623	16.2
172.03934	28.8
175.14810	11.8
181.80499	6.8
189.16425	9.9
190.05074	17.3
191.18011	9.1
203.17853	8.9
204.06535	37.2
207.17365	10.6
210.11554	13.0
211.12279	18.1
221.10692	8.6
223.12256	14.8
224.09254	11.1
225.10265	10.4
225.13852	9.7
226.10974	15.9
227.11905	9.9
236.78853	7.7
237.10152	22.3
238.10983	29.8
239.11710	19.3
249.10208	15.8
250.10895	15.6
251.11780	33.6
252.08665	15.9
252.12593	7.0
253.13512	8.2
255.11275	10.7
256.12079	10.5
262.10928	11.3
263.11765	23.3
264.09036	7.3
264.12234	12.9
265.09610	21.7
265.13141	15.5
266.10406	13.1
267.11371	34.2
267.15839	6.7
269.12735	8.0
271.14316	15.4
277.09723	8.3
278.10269	9.5
279.11221	44.5
281.12686	14.8
283.10831	7.7
284.11530	14.0
285.12317	56.9
287.13907	8.1
291.11276	19.0
293.12762	24.8
296.11279	10.5
297.12299	87.2
307.10638	10.1
309.12234	12.9
310.12860	9.9
311.10101	8.2
311.13950	7.6
319.10712	23.5
321.12216	37.7
323.10217	13.3
325.11755	27.7
327.13223	15.7
337.11807	88.4
338.12271	9.7
339.13431	13.5
358.14932	9.8
375.50125	9.6
385.14053	10.0
386.18604	8.5
404.19373	9.0
412.16669	8.3
425.37573	10.6
430.17395	20.8
432.18585	12.8
448.18732	33.3
460.18607	22.2
472.18753	11.6
492.20871	12.3
506.75299	7.8
518.18396	10.8
520.20618	12.6
532.20612	9.2
535.19098	35.8
536.20056	31.0
541.37640	8.2
576.19775	80.7
577.20709	15.5
578.20868	21.4
608.22113	33.4
609.22900	14.6
610.22925	11.5
613.26190	21.0
641.31561	7.9
681.25409	12.8
699.26367	50.2
731.37427	79.4
745.30652	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	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43230	1.1
52.45043	1.2
53.03927	1.6
53.91644	1.3
55.05484	1.8
65.03944	1.3
67.05496	4.0
69.07029	1.3
70.09902	5.7
78.57809	1.1
79.05482	8.3
80.05013	3.9
81.07069	2.0
85.02920	1.8
90.49529	1.2
91.05473	6.6
93.07042	7.6
94.06558	9.0
95.04950	2.9
95.08575	1.8
96.08135	1.6
103.05463	6.3
105.07064	1.8
106.06541	5.8
107.07333	2.3
108.08110	17.9
116.05035	2.1
118.06525	4.9
119.07362	1.9
119.08564	1.6
120.04459	4.1
120.08096	45.1
122.06024	32.6
122.09649	6.1
124.07554	2.3
132.08092	3.6
134.06032	5.4
134.09651	2.5
136.07567	34.9
138.05467	4.4
138.09105	4.2
144.04448	6.4
144.08134	2.4
146.06010	15.0
148.07568	100.0
149.08031	1.5
150.09119	15.5
152.07037	30.1
160.07567	4.1
162.05518	4.9
162.09177	3.0
164.07062	19.8
166.08626	19.8
170.05902	1.5
172.03918	33.9
172.07530	1.5
174.05515	3.8
174.09183	2.9
176.07036	3.1
180.10316	2.1
184.09952	1.9
186.09123	1.4
188.07169	1.6
190.04985	17.9
192.06575	1.6
195.09082	1.4
196.09869	2.0
197.10684	4.7
198.09256	1.3
198.11516	9.2
199.12262	3.1
203.04985	1.2
204.06552	55.4
205.73157	1.4
206.08199	1.9
208.09763	2.6
209.10675	6.5
210.09280	2.9
210.11519	8.5
211.12247	22.1
212.09326	2.8
212.13046	5.0
213.10162	3.4
213.13849	2.6
218.08205	2.4
220.09764	1.7
221.10727	3.0
222.11456	2.2
223.08723	2.4
223.12296	15.0
224.09250	6.4
225.10226	14.6
225.13814	3.8
226.10939	13.1
227.11772	11.2
228.12306	1.2
229.09689	3.3
229.13358	1.8
233.10548	1.5
234.07561	1.6
234.11458	1.8
235.08752	4.4
235.12215	4.6
236.09364	4.7
236.13036	1.5
237.10184	21.2
237.13838	2.8
238.10977	22.5
239.11784	18.1
240.12605	2.1
241.09755	1.6
241.13336	4.5
246.07550	1.5
248.09370	6.8
249.10239	18.2
250.10951	11.1
251.08217	3.9
251.11777	33.4
252.08702	12.9
252.12596	7.5
253.09676	5.9
253.13290	11.6
254.10457	2.1
255.11253	9.5
256.11996	10.6
257.13034	1.8
259.14386	1.5
261.10272	2.1
262.11096	7.8
263.11768	37.4
264.08777	6.9
264.12552	8.4
265.09720	15.2
265.13324	17.8
266.10406	13.3
267.11282	29.5
268.11908	2.0
269.12811	6.9
271.11029	2.8
271.14386	11.2
273.12286	1.9
275.11731	3.0
276.09152	1.8
276.12598	1.6
277.09686	7.8
277.12811	1.9
278.10501	8.0
279.11261	64.4
280.12067	11.1
281.12857	17.4
282.10083	2.2
282.13464	2.2
283.10779	9.1
283.14160	2.9
284.11581	15.7
285.12329	60.8
286.12820	1.9
287.13733	6.6
291.11243	28.0
292.12076	7.4
293.09344	2.5
293.12790	21.8
294.10040	2.3
295.07678	1.4
295.10785	4.9
295.14133	2.0
296.11487	6.9
297.12326	79.0
298.12994	4.2
299.13800	4.3
302.16275	1.9
305.09384	3.0
305.12738	1.8
307.10815	7.5
308.11319	2.2
309.12296	31.6
310.12976	7.1
311.10242	5.7
311.13864	7.1
312.11108	2.0
313.11636	3.0
315.13702	1.6
316.14471	2.7
319.10742	19.4
321.12354	21.5
322.12860	1.6
323.10208	16.8
324.11035	1.6
325.11856	21.5
326.12701	1.7
327.13315	10.0
328.14542	3.0
329.15314	2.9
330.15869	5.6
330.19473	2.2
331.16818	1.7
337.11795	82.3
338.12448	3.3
339.13315	11.7
341.11380	2.0
341.15167	2.3
342.12192	1.7
342.15900	3.8
343.12997	2.0
343.17142	1.6
344.17593	3.7
351.13422	4.3
355.12854	10.7
356.13892	3.6
357.14423	6.7
358.15366	3.9
358.19159	3.4
359.12299	2.4
367.12866	2.5
369.14484	9.4
370.15427	2.8
371.16061	2.1
372.17096	5.6
384.17108	2.7
385.13977	5.6
386.18646	5.2
387.15521	1.8
388.16501	3.7
390.18088	2.7
392.19449	1.6
396.17072	1.9
399.15924	1.9
400.16284	1.8
401.16949	1.9
402.18057	2.7
403.19150	2.2
404.19952	9.0
406.17300	1.6
407.23544	1.5
411.11838	7.8
412.16580	3.7
413.13300	3.6
414.18008	5.1
416.20090	2.7
418.17291	1.8
424.16080	1.8
427.11469	2.7
428.19742	3.0
430.17468	16.1
431.18335	3.5
432.18982	8.9
443.14355	3.6
444.18811	3.7
445.15866	4.7
446.20932	6.2
448.18701	22.5
449.19339	3.1
456.18976	2.4
459.13922	4.6
460.18723	21.5
462.20441	1.5
464.21698	2.5
472.18808	10.5
474.20206	8.2
475.82065	1.5
478.19589	3.4
480.21222	1.8
488.21716	5.3
490.19904	6.4
491.20682	10.7
492.21304	11.1
504.21176	4.4
508.20685	2.1
516.21033	5.8
518.19061	9.5
519.19360	2.3
520.20703	6.9
531.07031	1.5
532.20667	12.9
533.21375	3.9
534.22345	2.7
535.19458	30.8
536.20227	34.8
548.20007	4.7
558.18750	1.7
560.20288	2.1
562.18097	8.9
563.19226	11.0
564.19135	6.2
567.25677	4.7
569.28992	4.8
576.19696	66.8
577.20288	12.8
578.21350	15.2
595.25354	12.3
608.22296	46.6
609.23291	11.7
611.28162	1.8
613.26575	15.3
637.26410	4.5
655.28070	6.4
657.26196	1.9
663.24445	2.0
681.25598	11.1
699.26550	42.3
699.38818	2.2
731.34753	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95520	1.9
51.51536	1.7
55.01883	2.5
65.03931	5.7
67.05493	4.1
69.03409	3.0
69.07066	3.4
70.06575	2.9
71.57188	2.1
79.05490	8.1
80.05000	4.5
81.03414	5.9
81.07053	3.7
85.02911	5.7
91.05475	8.8
92.04993	3.2
93.07037	5.6
94.06573	10.5
95.04964	2.3
97.06521	3.1
103.05481	6.6
105.07053	7.0
106.06487	2.5
106.23768	2.3
107.04981	2.5
107.08595	2.9
108.04512	3.6
108.08125	12.8
109.10130	3.8
115.05463	3.5
116.04984	9.4
117.07050	3.6
118.06573	3.4
119.08564	2.9
120.04414	10.6
120.08105	32.9
121.06496	3.6
122.06023	21.1
123.04475	2.5
124.07604	4.3
129.07021	2.8
131.04929	3.7
131.08595	3.1
133.10155	6.0
134.06021	6.2
134.09575	2.4
136.07590	22.7
137.05957	11.3
143.04932	7.4
144.04448	10.7
144.05597	2.9
145.06514	4.0
145.10120	3.6
146.06003	14.5
147.04405	4.4
148.07567	47.6
150.05559	2.6
151.03897	10.2
153.05424	4.6
160.03969	5.9
161.05977	4.1
162.05522	8.0
164.07098	5.3
165.09097	2.7
167.03378	2.9
167.07077	6.7
172.03923	41.9
175.07530	2.4
176.07027	4.0
177.05440	5.8
182.09729	3.0
186.09166	3.6
188.07036	2.7
190.04988	33.6
191.07060	2.5
191.71098	2.1
196.09947	3.4
197.10727	5.5
199.08727	2.9
199.12292	6.9
203.07083	2.7
204.06532	65.5
205.06770	2.3
207.09247	2.3
208.09776	2.2
209.10753	4.9
210.11693	3.2
211.08742	7.2
211.12320	3.5
212.09470	4.3
213.10257	2.5
223.08717	3.4
223.12328	5.2
224.09256	2.8
225.10188	20.3
227.11778	42.4
235.08644	3.0
236.09503	9.7
237.10225	8.5
239.11824	7.6
241.13414	3.2
249.10210	4.6
250.10954	2.9
251.08163	2.3
251.11853	12.8
252.08885	8.6
253.09732	14.1
253.13365	3.5
255.11374	6.4
262.11020	2.6
263.08038	3.8
263.12170	2.8
264.08957	13.1
267.11240	5.4
269.12784	35.7
271.10767	22.7
277.09659	5.9
278.10437	6.1
279.11206	25.4
281.12805	6.3
283.10678	7.8
284.11606	8.8
285.12341	8.7
287.10977	3.3
287.13916	34.0
291.10968	2.9
293.08276	2.2
295.10645	4.5
297.12277	11.5
300.11182	3.5
305.09128	3.0
307.10748	14.4
311.14334	3.2
312.15164	3.2
313.12018	4.2
314.12881	6.3
315.13513	9.5
316.10843	4.0
316.14517	3.9
319.10587	4.1
323.10254	14.5
325.11957	11.0
326.16568	2.5
328.10812	7.6
328.14493	5.4
330.12411	3.1
330.16083	5.7
331.16956	3.8
339.13477	23.6
340.14581	3.4
341.11438	7.0
342.12390	22.5
343.13129	10.4
344.13815	5.6
354.12296	4.1
355.13147	5.4
356.14014	15.6
356.45480	2.6
357.14703	6.2
358.15430	9.0
359.12286	11.1
365.11230	19.6
367.13150	5.2
369.14584	3.3
370.11536	2.4
370.15677	11.6
371.16351	3.3
372.17056	2.8
378.18170	3.8
380.13776	3.8
382.11975	6.4
383.12625	5.9
384.13477	5.5
385.14264	11.5
386.14584	4.6
386.18967	4.5
387.15527	3.5
388.16525	3.1
390.18250	5.8
397.14246	4.3
398.14987	36.7
399.15781	42.8
400.16269	3.1
404.16116	7.8
411.11826	31.9
412.16592	5.3
414.18414	10.1
416.15997	37.9
417.16486	2.6
422.16821	4.8
428.15930	3.4
429.12918	7.4
430.17618	6.3
440.16122	12.6
443.14218	10.7
446.17218	23.7
458.17090	63.8
490.19687	9.9
527.19366	2.3
565.24518	14.2
575.22729	5.1
593.23969	24.0
609.26636	5.1
611.24982	45.1
628.25830	2.1
635.24805	9.5
653.25995	25.8
655.23822	12.3
679.23993	13.0
697.24957	100.0
698.24591	5.9
711.24054	7.0
729.32526	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	729.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	1.8
61.02914	2.7
65.03932	3.5
67.05498	6.2
69.03434	2.0
69.07048	2.1
70.06591	11.4
71.18831	3.8
71.19175	2.2
73.02922	1.6
79.05480	7.7
81.03388	1.7
81.07042	5.4
85.02903	5.4
86.06052	1.7
91.05466	10.0
92.04994	3.4
93.07030	7.5
94.06547	8.2
95.04958	5.0
95.08590	5.2
97.02898	3.5
103.05453	2.7
104.07088	2.7
105.07043	6.0
107.08575	2.9
108.04447	2.8
108.08095	10.3
109.06512	1.8
109.10149	2.4
116.04967	4.3
117.07008	1.6
118.06536	2.4
119.08596	4.4
120.04457	7.0
120.08094	30.5
121.10120	2.4
122.06011	23.1
123.08068	1.6
124.07595	1.7
129.06993	2.2
131.08594	3.2
132.04404	1.8
134.06004	4.6
136.07552	22.6
137.05972	5.4
138.05478	2.9
144.04428	18.3
145.10091	2.8
146.05978	10.7
148.07556	35.2
152.07071	3.5
159.08009	2.1
160.03949	2.6
162.05528	9.0
163.04015	2.0
164.07072	6.1
165.09169	1.9
166.08569	2.0
167.07047	2.2
172.03918	59.1
172.07603	2.1
174.05467	3.8
176.07108	2.1
177.05431	2.9
183.09280	1.7
186.05482	2.0
186.09183	1.8
190.04976	22.7
194.99275	1.6
195.09109	1.7
197.10699	3.5
199.08708	2.0
199.12340	5.3
202.97487	1.7
204.06540	100.0
209.10683	4.1
210.09267	3.8
210.11287	1.8
211.08675	7.0
211.12259	3.3
212.09325	2.3
213.10187	2.2
221.10722	2.5
223.08682	2.1
223.12238	2.1
224.09343	2.4
225.10196	16.4
226.10732	2.0
227.11758	26.3
228.12364	1.7
234.07394	2.3
235.08617	1.8
236.09470	6.1
237.10318	8.3
238.10933	2.5
239.11774	6.4
241.09665	2.6
241.13344	3.6
249.10231	6.2
250.11028	1.7
251.08006	2.0
251.11807	11.6
252.08707	5.5
253.09665	11.4
253.13431	2.7
255.11214	6.2
257.55597	1.6
262.11401	1.8
264.08990	7.0
265.09720	6.2
265.13205	2.2
266.10388	1.9
267.11252	5.3
269.12781	22.2
271.10754	22.7
277.09680	4.5
278.10541	3.1
279.11237	17.8
281.09167	1.9
281.12811	4.2
283.10849	7.8
284.11560	6.9
285.12430	8.1
286.13095	2.0
287.13879	22.9
295.10818	2.3
296.11072	1.6
297.12271	9.7
301.12485	2.1
302.13220	2.9
307.10669	10.5
311.10391	2.0
311.14145	2.9
312.14917	2.0
313.11844	5.2
314.12921	4.9
315.13498	4.5
316.14166	3.6
321.12457	2.0
323.10214	12.1
324.14825	1.9
325.11746	8.3
326.16586	2.5
328.10806	6.9
328.14511	5.1
330.15948	5.1
331.16983	3.7
337.11856	2.5
339.13388	33.6
341.11487	5.3
342.12363	13.7
342.15988	2.4
343.13135	7.5
344.13815	2.3
352.14603	2.0
354.16150	2.6
355.13068	4.6
356.13907	9.4
357.14557	3.8
358.15491	4.9
359.12509	9.4
365.11407	9.2
367.12964	7.1
369.14639	5.0
370.15622	9.2
371.16147	5.2
373.13916	2.8
378.17981	2.3
380.13510	2.5
382.11765	4.2
383.12457	3.8
384.13501	5.4
385.13980	9.6
386.14703	4.4
386.18790	4.5
388.16577	2.9
390.18158	3.0
394.15375	2.4
397.14398	3.3
398.14899	26.6
399.15753	37.9
400.16324	4.0
401.13858	2.2
402.17978	2.8
404.15915	5.5
411.11893	15.8
412.16492	2.8
414.18002	5.7
416.16095	22.3
422.16943	4.3
428.15747	3.6
429.12888	4.4
430.17426	3.5
440.16138	8.1
443.14426	10.7
446.17029	17.1
458.17038	49.3
459.17099	2.8
490.19870	7.5
523.23224	2.3
526.25690	1.8
551.22192	1.9
565.24493	9.0
567.37335	3.4
575.22729	4.4
593.23999	14.3
609.26440	5.4
611.24933	29.1
625.26483	2.7
635.24500	4.7
653.25891	21.5
655.23865	11.1
679.23846	9.0
685.28064	2.2
697.24945	67.7
698.25055	3.2
728.42188	2.8
729.29675	2.9
729.33698	2.4
729.42017	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	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60754	1.0
57.03468	1.3
64.73527	1.2
65.03949	2.6
67.05492	1.3
69.34243	1.3
69.34587	12.5
70.06584	3.5
74.47778	1.3
79.05499	4.1
80.05004	2.1
89.03899	2.1
91.05469	5.1
93.07040	5.4
94.06574	10.2
96.08157	1.8
98.20780	2.5
103.05466	3.5
104.07114	1.1
105.05782	1.6
105.07016	1.5
105.40225	1.2
106.06573	2.7
107.07340	1.4
108.04482	3.7
108.08107	11.3
110.06013	1.4
116.04973	7.0
118.06564	4.2
120.04469	10.2
120.08102	36.3
122.06020	19.7
122.09650	1.6
124.07601	4.6
130.06537	1.3
134.06003	7.3
135.80917	1.2
136.07568	20.7
137.05963	5.2
138.05504	2.5
138.09131	3.2
143.04955	1.8
144.04437	9.3
144.08057	2.0
146.06020	15.9
148.07558	45.3
149.07959	1.4
150.05469	1.3
151.03922	2.6
152.07095	4.4
156.08118	1.4
158.05986	2.3
158.09695	1.2
160.03940	3.4
160.07509	2.6
162.05508	5.1
164.07066	5.5
166.08649	3.0
167.07225	2.6
168.08101	1.4
172.03915	42.5
172.07562	1.8
174.05550	2.9
176.07036	2.7
182.09700	4.1
184.09908	1.8
186.05524	3.3
187.08774	2.0
190.04973	36.8
195.09187	2.8
196.10028	2.7
197.10744	6.9
198.09251	2.0
199.08675	2.2
199.12338	5.5
204.06554	73.4
205.07011	1.5
207.09123	1.5
207.63449	1.2
208.09920	2.7
209.10776	3.3
210.07617	2.4
210.09396	2.1
210.11476	2.1
211.08685	8.2
211.12303	3.5
212.09340	6.2
213.10178	1.5
219.09187	1.4
221.10693	3.1
223.08665	3.1
223.12318	5.7
224.09395	3.9
225.10205	23.1
226.10931	2.6
227.11771	31.4
228.12209	2.2
233.10838	1.5
234.07491	2.1
235.08684	5.2
236.09358	9.6
237.10161	8.4
238.10928	3.4
239.11716	7.3
241.09782	2.3
241.13297	2.5
242.11697	1.8
249.10251	6.1
250.10970	2.4
251.08087	2.2
251.11736	12.1
252.08694	9.1
253.09706	13.8
253.13393	1.6
255.11240	8.9
263.08151	4.2
263.11792	2.5
264.08954	11.3
265.09711	4.8
267.11304	6.8
269.09885	1.8
269.12833	40.1
271.10754	22.0
273.12512	2.1
277.09732	4.4
278.10413	3.0
279.11240	25.2
280.12018	1.3
281.12866	5.3
283.10681	9.1
284.11545	7.7
285.12256	8.0
286.13153	2.8
287.10907	2.6
287.13889	33.9
293.09143	2.7
294.10095	1.7
295.10645	3.9
296.11520	2.3
297.12344	13.5
298.10541	1.6
300.11594	1.6
302.13162	2.1
305.09131	2.6
307.10745	13.2
309.12411	2.7
310.13794	1.5
311.14120	3.5
312.15100	2.4
313.12598	2.9
314.12869	7.2
315.10309	1.3
315.13492	7.2
316.10916	2.7
316.14484	3.3
317.15244	1.5
319.10825	2.2
321.12299	3.3
323.10211	16.6
324.11099	1.9
325.11905	11.0
326.13022	2.5
326.16473	2.6
327.13910	2.0
328.10773	8.8
328.14423	4.8
329.15320	2.7
330.12466	1.9
330.16046	4.9
331.16788	3.2
337.11938	2.9
339.13504	23.5
340.14267	3.6
341.11517	3.8
341.15195	2.9
342.12390	21.0
342.16046	3.2
343.13031	9.5
344.14029	3.0
352.14539	1.9
353.12851	1.9
354.12344	1.5
354.16248	2.0
355.13419	4.5
356.13922	13.2
357.14825	3.5
358.15439	7.8
359.12292	12.1
359.15555	1.2
365.11316	26.8
367.13141	7.7
369.14886	2.2
370.15472	9.7
371.16135	3.6
372.17175	2.8
380.13895	2.2
382.07452	1.6
382.11646	7.5
383.12369	7.1
384.13025	8.9
385.13858	10.5
386.14899	5.0
386.18866	3.5
387.15637	1.5
388.16568	2.3
390.18243	5.7
394.15350	3.6
396.17050	1.8
397.14273	4.9
398.14932	35.6
399.15747	40.5
400.16144	3.8
401.13654	1.9
404.16013	7.1
411.11841	37.4
412.16464	4.6
413.13162	1.6
414.18484	7.2
416.16003	31.0
417.16568	2.9
422.16888	5.5
424.79565	1.3
428.15930	4.0
429.12891	8.1
430.17572	3.9
440.16006	14.8
443.14523	7.0
446.17078	24.7
448.18369	2.5
458.17053	59.1
459.17493	4.1
472.18317	1.6
490.19632	7.9
505.22183	1.9
518.19678	1.3
547.23181	2.0
551.22681	1.8
565.24469	13.9
566.24231	1.6
575.22815	4.9
593.23914	25.8
594.24115	2.6
609.26886	4.8
611.24969	39.5
612.24591	2.8
625.26947	2.8
629.24854	1.5
635.25043	7.6
653.26025	28.2
654.26270	1.9
655.23895	12.8
669.25342	2.5
679.23663	13.0
680.23676	1.7
697.24982	100.0
698.25323	7.4
718.19012	1.5
729.26807	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	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
62.86433	1.4
65.03921	4.2
67.05504	1.7
70.14810	4.2
70.15219	2.7
79.05489	6.8
80.05011	1.8
81.07063	2.4
85.20650	1.2
89.03869	1.4
91.04898	1.2
91.05466	4.7
92.05003	2.3
93.07030	4.8
94.06557	9.7
95.04949	2.5
103.05441	3.2
105.05742	1.3
105.07041	2.4
106.06540	2.3
108.04517	2.9
108.08105	10.4
110.09686	1.8
116.04973	4.9
118.06534	2.7
119.08559	2.0
120.04464	9.9
120.08092	30.1
122.06025	18.9
124.07562	3.9
129.07024	1.3
132.08095	1.7
134.06075	6.0
136.07567	20.2
138.05458	2.9
138.09135	2.3
144.04430	11.9
146.05995	15.5
147.11667	2.3
148.07561	44.0
152.07050	2.9
156.08104	1.7
156.33585	1.1
158.06122	1.7
158.09647	1.3
160.03879	4.8
160.07593	1.8
162.05489	5.9
164.07002	3.6
166.08627	3.9
172.03937	41.3
172.05424	2.2
172.07491	2.3
173.04189	1.3
174.05486	2.8
176.07053	4.7
182.08241	1.5
182.09639	3.6
183.09128	1.7
184.09911	2.2
186.05464	3.7
187.08696	2.2
188.07039	1.7
190.04967	30.8
190.06546	2.5
194.09683	1.8
196.09862	2.2
197.07071	2.0
197.10751	7.5
199.08604	1.8
199.12296	5.6
204.06548	65.8
207.09166	3.4
208.09875	3.3
209.10725	5.4
210.07645	1.9
210.09305	2.9
210.11401	3.0
211.08624	8.7
211.12361	3.0
212.09419	3.4
213.10109	2.7
221.10722	2.1
223.12270	5.4
224.09296	3.2
225.10223	22.7
226.10876	1.6
227.11775	40.1
235.08614	4.2
236.09364	9.0
237.10199	6.7
238.11018	4.9
239.11763	8.1
241.09680	2.7
249.10161	6.5
250.10875	2.6
251.11714	8.2
252.08678	7.7
253.09703	15.9
253.13548	1.9
254.10217	1.5
255.11343	9.0
261.10193	1.7
263.07996	2.9
263.11807	1.5
264.08908	12.7
265.09589	4.5
266.10391	1.6
267.11212	5.3
269.12845	33.4
271.10739	20.6
275.37625	1.3
277.09610	6.2
278.10394	4.6
279.11258	27.8
280.11819	2.0
281.09680	1.8
281.12848	4.8
283.10742	9.9
284.11508	6.3
285.12292	9.7
286.13251	2.5
287.13901	34.3
291.11325	1.5
292.08261	1.6
293.09192	2.0
293.12762	2.4
295.10699	2.2
297.12360	12.2
300.11584	2.4
300.14993	1.8
302.12912	2.3
307.10739	16.5
312.15146	2.0
313.12537	4.1
314.12732	5.7
315.13419	5.6
316.10800	2.7
316.14365	3.2
317.15088	1.6
321.12567	2.2
323.10278	15.1
325.11731	11.1
326.12823	3.0
326.16565	3.1
327.13702	3.1
327.17245	2.9
328.10745	9.5
328.14465	5.1
329.11502	3.0
329.15216	1.9
330.12482	1.8
330.15958	3.5
331.13150	1.6
331.16751	3.1
338.12991	1.4
339.13538	20.5
340.14221	2.1
340.17914	1.6
341.11511	5.7
341.15244	2.3
342.12344	16.9
342.16107	2.9
343.13058	9.5
344.13959	2.0
352.14331	2.1
353.12524	1.8
354.12259	2.8
354.16138	1.6
355.13071	3.8
355.16992	1.5
356.13858	12.9
357.14703	4.0
358.15466	7.4
359.12283	8.8
365.11285	23.4
366.16003	1.9
367.12949	5.8
368.13910	1.5
369.14996	2.3
370.11536	1.6
370.15540	8.7
371.16113	2.6
372.17239	2.2
378.18027	3.5
380.13782	1.6
382.11710	6.8
383.12473	8.5
384.13229	7.2
384.17511	2.1
385.13965	11.0
386.14847	4.8
386.18997	2.7
388.16684	1.9
390.18076	4.0
394.15106	2.4
396.17197	2.1
397.14069	4.8
398.15002	31.4
399.15771	39.8
400.16293	3.5
401.13416	2.3
402.18546	2.5
404.16003	6.8
411.11816	38.3
412.16519	5.5
413.13019	2.0
414.18268	7.8
416.16031	31.8
417.16644	2.7
422.16879	4.7
428.16040	4.6
429.12854	6.2
430.17459	5.5
440.16006	13.8
443.14624	7.9
446.17093	19.7
458.17081	49.8
459.17227	2.6
469.20419	2.8
472.18845	2.0
490.19763	7.5
505.21307	1.9
523.23370	2.2
547.22784	1.6
551.22583	2.7
565.24609	14.7
575.22467	4.4
583.25000	2.0
593.23926	24.8
609.26794	5.4
611.14948	2.1
611.24884	41.6
625.26324	3.4
635.24835	6.3
653.25977	26.5
654.26086	1.7
655.23975	13.7
679.23810	11.7
679.33661	2.2
697.24994	100.0
698.24817	4.0
729.36884	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	729.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01855	1.1
57.81525	0.9
61.02913	0.8
65.03935	16.6
67.05495	2.5
69.03421	3.0
71.56477	1.6
78.04709	1.8
79.05481	5.9
81.03407	1.7
82.04192	2.2
85.02887	4.0
86.09673	1.4
88.93365	0.8
89.03927	1.0
91.05482	11.1
93.03396	1.9
94.04166	1.4
95.01341	3.0
95.04956	3.7
97.02894	1.6
97.06542	1.6
97.99793	0.9
103.05479	4.0
104.91850	0.8
105.03335	1.6
105.07024	10.9
105.45731	0.9
106.04148	1.7
107.04941	9.8
108.02122	1.2
110.03658	14.4
111.04434	23.5
111.08034	1.0
115.05434	3.9
116.06257	1.2
117.07009	2.1
118.04160	2.2
119.04916	6.1
119.08569	1.9
121.02869	1.0
121.06495	2.3
122.03670	1.3
123.04421	4.7
124.05209	2.8
125.05979	20.5
128.06232	3.6
129.07013	3.9
131.04901	5.5
132.05661	2.9
133.02855	2.6
133.06505	5.5
135.04396	2.0
136.05244	2.1
137.02448	0.9
137.05972	11.6
138.03117	2.0
141.07007	1.2
143.04915	1.2
144.05730	1.0
145.06468	2.7
147.04405	7.6
147.08028	2.6
149.05995	3.1
151.03880	1.5
151.07559	2.3
152.04630	1.0
153.05455	84.1
154.05775	1.5
155.04941	1.6
155.06094	0.9
157.06528	1.4
159.08041	7.3
160.05162	1.2
161.05962	8.6
163.07558	1.8
165.05542	1.1
165.06931	1.5
167.07027	58.8
168.07359	1.0
169.06476	1.0
172.05194	2.5
175.03818	1.4
175.07529	15.1
176.04713	1.2
176.06148	1.0
177.05472	5.9
178.07780	3.1
179.07033	6.6
179.08435	1.6
181.04933	1.3
181.06412	1.4
181.08655	1.4
184.05164	2.0
185.05931	3.2
186.06715	3.3
187.07507	14.0
189.05461	4.1
189.07040	3.3
189.09055	1.3
190.07759	2.5
191.07195	5.6
191.08301	5.8
194.07253	1.7
195.07970	1.7
198.06685	1.0
199.07515	6.2
201.05453	1.8
202.07706	5.3
203.06956	1.3
203.08563	6.0
205.06528	3.8
205.10187	1.2
206.07240	3.4
207.06454	2.5
207.08086	3.5
208.08846	1.9
209.08096	3.7
214.06284	1.7
215.06978	2.5
215.08720	1.5
216.07758	7.7
217.06558	1.9
218.07199	6.3
219.08002	11.8
220.08788	6.7
221.06041	3.2
221.09622	4.0
223.07596	2.0
225.09129	1.2
229.08592	7.7
231.08067	4.8
232.08876	3.0
233.06042	4.3
233.09599	2.7
234.06685	5.7
235.07515	8.0
236.08325	5.3
237.09042	3.8
239.07042	1.7
241.08664	1.4
245.06036	1.9
246.06818	2.8
247.07489	6.9
247.09673	1.6
248.08272	5.9
249.09038	7.7
250.06340	1.7
250.09818	1.9
251.07069	2.4
251.10689	12.8
253.08621	3.0
258.06882	1.6
259.07523	3.3
260.08304	2.7
261.05511	3.7
261.09009	6.4
262.06223	2.6
262.09943	1.9
263.07043	4.1
263.10608	2.4
264.07797	10.1
265.08566	14.2
266.09338	2.5
267.10474	1.0
273.05664	1.1
273.08951	1.5
274.06232	1.9
275.07007	3.5
276.07779	11.0
277.08551	8.5
278.06146	1.3
278.09396	5.4
279.06833	1.6
279.10175	7.9
280.07294	1.1
280.10590	1.5
281.08267	1.8
281.11728	5.5
283.09818	1.5
283.13116	1.2
288.07831	1.8
289.08606	3.9
290.09375	3.1
291.06873	1.6
291.10141	6.0
292.07239	2.8
292.10620	1.4
293.08032	8.1
293.11670	3.1
294.08859	1.7
295.09619	2.1
296.10571	1.2
304.07599	1.8
305.08029	3.8
306.08939	2.4
307.09619	38.8
307.13116	2.2
308.10291	11.0
309.11142	9.9
310.11667	1.3
311.12781	2.6
319.09613	12.4
320.10486	2.6
321.11142	7.7
322.11908	1.1
323.09241	1.4
323.12671	8.2
324.09857	1.4
325.10760	4.1
326.11459	1.8
336.09961	2.0
337.10599	2.7
337.14471	1.3
338.11206	1.1
339.12244	100.0
340.12607	3.9
341.13812	15.7
351.12225	33.3
351.16544	2.0
352.12723	1.9
353.13788	5.4
357.13159	4.0
369.13223	3.5
399.70477	1.0
499.17444	1.6
519.47461	1.0
593.89636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2076
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03933	0.3
55.01870	0.3
55.05505	0.3
57.03437	2.4
58.79137	0.2
59.05007	0.2
61.02919	0.8
62.22782	0.2
64.74085	0.2
68.99809	0.3
69.03426	2.1
69.32484	0.2
71.01348	0.3
71.04993	10.7
73.02914	3.8
75.04473	0.5
79.58254	0.2
81.03407	0.2
83.04984	1.4
85.02901	15.6
87.04456	0.7
89.22058	0.2
94.59061	0.2
97.02889	2.2
99.04434	0.5
103.03906	0.3
105.03378	0.2
106.47713	0.2
107.04938	0.3
109.02841	0.2
111.00790	0.7
111.04426	1.4
113.02322	0.2
115.03925	1.9
119.37102	0.2
121.02858	2.0
127.03897	0.6
129.05469	3.7
133.02847	0.2
133.04948	0.5
137.02318	0.4
137.05980	0.4
139.03906	0.5
143.70790	0.2
145.05006	0.4
147.04378	0.7
147.06511	1.6
153.01817	2.1
162.39871	0.2
165.01828	1.1
169.05020	0.3
171.06538	0.4
183.02892	0.4
185.06102	0.3
213.05429	0.9
225.07596	0.6
231.06520	0.4
241.04968	0.7
258.05219	0.7
259.06012	0.2
267.51352	0.2
269.04489	0.2
287.05484	100.0
288.05817	2.8
299.05502	1.8
311.05420	0.4
313.07059	0.2
325.06964	0.6
329.06528	2.0
337.07056	0.4
353.06641	1.5
365.06552	0.4
383.07611	1.7
401.08542	1.4
419.09619	2.4
433.11060	0.4
449.10800	18.4
450.10864	0.4
599.49524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01862	1.3
57.03426	0.9
61.02921	0.7
64.02758	0.7
65.03941	13.5
67.05486	1.8
68.43847	0.6
69.03423	1.8
71.04977	0.6
78.04684	1.6
79.05489	5.3
81.03416	1.6
81.07046	0.8
82.04183	2.4
85.02890	5.4
88.90369	0.8
91.05472	9.2
93.03392	2.9
94.04179	1.1
95.01325	2.7
95.04968	4.8
97.02882	1.9
97.06541	1.0
101.57275	0.6
103.05463	3.2
105.03403	1.0
105.07034	6.9
106.04165	1.4
107.04948	7.7
108.02070	2.0
109.02850	0.7
110.03658	15.3
111.03706	1.2
111.04436	19.9
115.05429	3.3
117.07010	1.6
118.04140	2.0
119.04932	6.8
119.08579	1.2
121.02814	0.7
121.06483	1.0
122.03645	1.9
123.04431	4.6
124.05190	1.9
125.05991	16.9
127.03830	0.8
128.06224	2.9
129.06999	6.3
130.04106	0.9
131.04924	3.5
132.05708	2.2
133.02827	2.7
133.06506	5.8
136.05191	1.4
137.05968	9.9
138.03122	1.5
143.04945	1.1
144.05711	2.0
145.06509	3.4
146.03659	0.8
147.04402	10.1
147.08034	1.8
148.05098	1.0
149.05974	1.5
151.03914	2.0
151.07498	2.0
152.04671	1.9
153.05457	77.6
154.05766	0.9
155.04921	1.6
155.06047	0.8
156.05777	0.8
157.06497	0.7
159.08034	6.4
160.05252	1.3
161.05991	6.9
162.06770	1.0
163.03911	0.8
163.07509	1.6
165.05472	2.1
165.07036	1.9
167.07037	53.8
171.04346	1.6
171.08020	1.1
172.05167	1.5
175.07532	10.8
176.04741	1.0
177.05441	3.1
178.07767	2.4
179.07065	6.3
179.08585	1.2
181.04910	0.7
184.05171	1.3
185.05977	2.3
186.06779	4.5
187.07541	11.0
189.05435	5.2
189.06987	2.4
189.09018	1.1
190.06216	1.0
190.07692	3.7
191.07225	4.5
191.08475	5.2
192.04175	0.9
193.06479	1.2
193.10121	0.9
194.07259	1.0
195.08012	1.6
198.06752	0.8
199.07524	6.2
201.05443	1.2
202.07780	3.4
203.06967	0.8
203.08560	5.0
204.09296	1.3
205.06516	4.8
205.10191	1.1
206.07286	3.0
207.06445	2.1
207.08073	2.9
208.08792	2.3
209.07996	0.8
214.06296	0.8
215.07034	2.2
215.08679	1.7
216.07747	9.0
217.06497	1.6
218.07281	7.0
219.08051	10.3
220.08772	5.6
221.05989	2.6
221.09598	4.3
222.06764	0.8
222.10255	0.7
223.07487	2.1
225.09071	0.8
229.06490	1.2
229.08568	8.8
229.21304	0.7
231.08046	6.0
232.08784	2.7
233.06081	3.5
233.09560	4.8
234.06725	5.4
234.10388	0.9
235.07446	7.3
236.08295	6.7
237.09053	3.0
243.07951	0.7
245.06000	1.9
246.06784	3.7
247.07494	6.9
248.08279	7.5
249.05440	1.8
249.09103	8.5
250.06160	1.0
250.09880	1.8
251.07013	2.4
251.10667	12.4
252.11288	0.9
253.08548	2.2
253.11945	0.7
258.06796	0.8
259.07477	3.9
260.08316	2.7
261.05453	2.9
261.09140	5.6
262.06219	2.2
262.09695	1.3
263.07092	4.3
263.10635	2.3
264.07800	10.6
265.08554	12.2
266.09207	1.3
267.10068	1.1
274.06247	1.2
275.06982	3.2
276.07797	12.5
277.08545	8.4
278.09363	4.8
279.06842	1.4
279.10107	8.8
280.07352	1.0
280.10678	1.6
281.08084	1.9
281.11737	5.3
287.05380	1.1
288.07971	1.7
289.08612	4.8
290.06317	0.8
290.09320	2.8
291.06842	1.3
291.10114	6.0
292.07254	3.5
292.10803	1.5
293.08057	7.3
293.11688	3.0
294.08807	2.6
295.09485	1.9
295.12949	1.0
296.10355	1.9
304.07291	3.0
305.08185	2.6
305.11557	0.9
306.08853	3.0
307.09607	36.9
308.10300	9.9
309.08014	1.0
309.11185	6.7
311.09338	0.7
311.12656	3.2
319.09601	10.5
320.10284	2.6
321.07657	1.6
321.11108	6.5
322.11914	0.9
323.12714	8.6
324.09857	1.3
324.13327	1.0
325.14304	0.9
326.11249	0.8
336.09839	1.2
337.10605	2.1
338.11349	1.3
339.12244	100.0
340.12689	4.5
341.13809	12.1
351.12247	36.1
352.12686	1.9
353.13800	5.4
369.13422	2.2
386.70172	0.7
454.15631	0.7
488.52594	0.7
499.17514	1.9
546.12244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.3
55.05512	13.0
57.03436	12.3
57.07054	2.7
61.02927	5.9
67.05501	58.4
69.07055	17.1
70.26608	7.3
71.05006	2.8
75.84959	2.2
79.05486	38.6
81.06585	3.8
81.07051	67.0
83.04979	2.5
83.08604	11.9
85.02902	4.5
85.06519	2.9
89.20554	1.9
91.03938	2.7
91.05484	24.2
93.07037	40.8
95.04951	5.8
95.08602	38.1
97.02897	2.2
97.06522	7.2
105.07016	9.9
107.08572	24.7
109.10139	10.8
111.08091	3.2
117.07021	7.1
119.08562	6.1
121.10148	15.5
123.11691	6.8
123.17797	2.1
128.72691	1.9
131.08569	8.3
133.10129	10.4
135.11687	14.4
145.10133	3.2
147.11668	5.4
149.13232	13.5
159.11682	7.0
161.13240	4.1
177.12688	3.0
187.14862	2.4
195.13795	10.0
261.22119	10.0
269.17468	67.0
280.33664	2.2
335.25784	100.0
391.15393	2.0
482.05759	2.6
529.38831	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.05506	12.0
57.03437	9.0
57.07070	2.6
61.17677	1.2
67.05501	48.8
69.07066	19.7
70.17834	5.2
71.04977	3.5
71.08618	1.5
73.02908	1.0
79.05492	31.4
81.03395	1.3
81.07056	62.4
83.04981	3.7
83.08612	9.7
85.02892	2.3
85.06532	2.8
91.05473	15.7
93.07040	47.1
95.04951	3.6
95.08605	27.4
97.06521	5.6
97.10165	3.1
99.08100	2.6
105.07007	6.9
107.08592	29.2
109.10155	8.6
111.08081	4.2
117.06998	6.9
119.08584	6.0
121.10134	17.4
123.11710	5.4
131.08554	10.0
133.10121	9.4
135.11687	11.6
139.11183	2.0
142.29463	1.5
145.10155	3.6
147.11684	3.9
149.13257	24.3
156.37512	1.4
156.86688	1.3
159.11705	11.2
161.13225	2.5
163.14729	2.1
173.13217	2.4
177.12715	4.2
183.74834	1.4
195.13719	9.4
213.14920	2.8
243.21156	2.9
261.22116	8.8
267.15961	2.3
269.17465	100.0
316.37006	1.2
317.24554	2.5
335.25769	58.9
490.38907	1.4
529.38861	96.2
530.38837	3.2
547.40021	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92584	1.7
53.03935	6.3
55.01864	8.2
55.05510	25.2
55.97900	2.0
57.03431	17.6
59.04969	2.4
61.02925	18.6
63.95438	1.9
65.03939	5.0
66.80552	2.1
67.05500	74.6
69.03431	10.0
69.07065	33.4
70.06588	3.4
71.04976	8.6
71.57467	1.7
71.57891	3.8
73.02892	5.7
73.06580	1.9
73.86111	2.0
79.05486	48.4
81.03409	18.5
81.06580	4.7
81.07050	83.0
83.04974	12.3
83.08611	19.0
85.02892	19.0
85.06522	3.9
91.03461	2.0
91.03945	12.6
91.05470	39.5
93.07038	65.4
95.04971	13.4
95.08602	31.1
97.02885	16.2
97.06544	18.6
97.10160	13.1
99.04472	4.3
99.08038	2.1
105.07018	35.1
106.03405	2.3
107.04922	10.0
107.08587	43.3
109.02883	4.1
109.06507	6.4
109.10154	23.2
111.04450	2.2
111.08084	5.5
115.05482	2.4
116.42699	2.0
117.07021	19.4
119.08578	30.3
121.06513	5.4
121.10138	22.0
123.08099	2.8
123.11695	5.2
125.09637	6.8
127.03936	7.5
128.63411	1.9
129.06989	5.7
129.75110	2.0
131.08548	21.2
132.50443	1.9
133.10123	28.3
135.08055	4.7
135.11667	21.7
137.09581	3.1
141.06950	2.6
143.08548	5.1
145.04909	4.7
145.06436	2.5
145.10106	20.5
147.11688	16.0
149.09608	13.3
149.13243	18.1
155.08539	3.9
157.10098	3.2
159.11694	25.6
161.09631	2.1
161.13249	5.9
162.22896	2.1
163.06097	2.1
163.11186	8.5
169.10170	3.5
171.11731	4.1
173.04433	4.0
173.11830	3.6
173.13243	4.9
175.11320	2.8
176.04749	2.7
177.05437	3.6
177.12730	25.6
179.14333	5.4
181.12320	2.6
183.11725	2.4
187.11249	2.2
189.11189	5.8
195.13806	6.2
227.12758	5.4
229.14293	19.0
239.17923	4.2
247.20665	1.9
251.16301	3.4
255.15871	31.3
257.18967	7.5
269.17465	100.0
275.20013	28.1
293.21289	3.3
309.20697	3.2
349.23709	78.2
350.23926	2.1
367.24756	28.5
383.68628	2.1
389.18332	2.2
413.21588	4.8
461.29010	5.8
493.27805	3.6
511.28891	5.3
516.02301	2.1
726.43115	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	726.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45802	1.8
53.03935	6.1
54.55806	2.2
55.01863	7.7
55.05510	20.8
57.03441	14.7
57.03688	2.6
57.07071	2.1
61.02919	15.6
61.28264	1.8
65.03952	2.3
67.05503	64.7
69.03431	10.5
69.07067	23.8
69.44383	1.8
70.06555	2.4
71.04987	8.0
71.57916	2.8
73.02912	4.9
73.96526	2.0
75.10625	1.9
77.03910	2.1
78.42898	1.7
79.05067	3.1
79.05493	47.0
81.03412	18.9
81.06582	4.1
81.07053	78.0
83.04996	13.8
83.08604	13.8
84.04515	2.2
85.02893	23.5
85.06529	5.4
91.03961	9.3
91.04908	2.0
91.05473	36.2
93.07043	55.3
95.04955	11.8
95.08606	27.9
97.02891	9.7
97.06526	21.4
97.10150	5.8
99.08091	3.1
105.07030	27.5
107.04966	6.7
107.08591	36.7
109.02856	3.0
109.06519	7.3
109.10149	15.6
111.04465	3.9
111.08086	7.5
115.64093	1.7
117.07018	15.1
119.08587	24.6
121.06496	6.2
121.10144	19.2
123.08050	4.2
123.11672	4.6
125.09624	6.8
127.03927	9.0
129.07004	6.2
131.08592	15.9
133.10123	19.5
135.08032	2.9
135.11665	21.3
137.06024	3.8
137.09618	4.0
141.06924	2.1
143.08508	5.1
145.04955	4.3
145.10118	14.2
147.04497	2.7
147.11665	10.1
149.09595	10.4
149.13237	18.6
151.11140	3.3
157.10088	5.5
159.11678	30.5
161.13284	4.7
163.05956	6.4
163.11192	9.0
163.14748	2.2
165.12762	3.6
169.10165	3.0
171.11629	3.2
173.04491	3.4
173.13202	4.3
175.11220	2.4
177.12750	29.4
179.14288	8.0
183.11647	4.5
189.16663	2.0
195.13744	8.9
227.12671	4.3
229.14301	7.3
229.19598	2.5
239.17903	4.1
247.20496	4.2
251.16438	5.0
255.15916	44.7
257.18997	8.5
269.17468	100.0
270.18008	2.4
275.20023	26.9
293.20975	3.0
349.23746	67.5
367.24799	23.5
377.19861	2.0
389.18237	2.7
413.21707	5.7
493.28305	3.0
511.28946	4.4
534.92926	2.0
726.29401	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4464
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.05511	14.4
57.03436	8.7
65.03936	2.5
67.05508	50.1
69.07059	15.0
70.29494	8.0
70.29891	5.2
71.04990	4.0
73.06573	2.3
79.05491	31.5
81.07057	100.0
83.04966	6.9
83.08617	10.5
85.06533	4.1
91.05471	24.5
93.07039	28.6
95.04976	7.0
95.08608	36.4
97.06518	7.2
99.08096	3.6
105.07024	31.2
107.08587	17.5
109.06518	4.5
109.10166	13.6
117.06975	3.0
119.08577	27.8
121.10149	24.7
123.11707	24.1
131.08568	8.8
133.10120	6.5
135.11682	8.0
137.13252	3.4
145.10219	3.4
147.11682	43.6
149.13254	3.5
157.10115	3.4
159.11703	4.0
161.13219	3.5
163.14742	2.3
165.12764	21.6
175.11272	3.1
183.13782	2.4
229.14322	3.6
243.21036	3.9
261.22058	16.1
267.15921	52.0
279.23117	3.0
285.14035	4.5
285.16971	57.2
317.24698	3.5
325.10019	2.4
335.25803	54.7
527.37042	3.3
545.38409	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
54.24460	2.5
55.05515	15.7
57.03436	15.0
67.05135	4.6
67.05501	59.6
69.07071	20.2
69.31842	3.0
69.40780	5.3
69.41191	20.5
73.22593	2.7
78.71031	2.7
79.05482	35.5
81.07055	99.7
81.07529	6.0
83.04974	6.4
83.08598	7.6
85.06553	4.9
91.05475	31.7
93.07039	37.7
95.04941	3.2
95.08594	45.6
97.06544	4.9
105.07030	32.8
107.08592	24.4
109.06486	3.7
109.10149	14.9
117.06996	3.7
119.08565	23.5
121.10140	23.1
123.08085	5.6
123.11728	22.7
124.02349	2.7
131.08569	8.1
133.10115	9.5
135.11693	12.4
137.13310	3.2
145.10114	3.5
147.11696	48.4
149.13286	6.4
157.10097	3.4
159.11665	3.8
161.13336	4.3
165.12790	19.7
173.13350	3.9
175.11203	3.9
229.14378	4.4
241.16505	2.7
243.21106	5.4
247.32355	3.3
261.22195	17.2
267.15897	52.3
273.55966	2.9
279.23123	4.0
285.16907	51.9
285.19781	3.8
335.25806	100.0
545.38330	36.9
707.44647	2.9
725.35004	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	725.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77893	0.1
57.03427	1.0
61.02923	0.6
65.03925	0.2
69.03396	0.3
70.63213	0.5
71.04988	5.0
72.08145	0.1
73.02894	0.4
75.04483	0.2
79.40668	0.1
81.03414	0.1
83.04974	0.8
85.02901	6.3
91.03963	0.3
95.04971	0.2
97.02879	0.5
103.03906	0.1
105.03346	0.2
107.04929	0.3
111.04446	1.0
117.05483	0.3
121.02866	2.1
127.03915	0.3
129.05457	1.5
133.02840	0.3
137.02332	2.1
139.03902	0.4
141.06973	0.2
145.04971	0.2
147.04387	0.1
147.06454	0.6
149.02313	1.4
152.76271	0.1
153.05482	0.2
159.06543	0.1
163.05975	0.2
167.03400	0.3
169.06468	0.5
173.05997	0.2
187.07436	0.2
191.03404	0.2
197.06004	1.1
201.07542	0.1
215.07031	0.8
224.60696	0.1
225.05333	0.6
242.05713	0.5
243.06543	0.5
253.05118	0.2
271.05991	100.0
272.06329	2.2
275.11285	0.1
293.08786	0.1
308.45972	0.1
327.04999	0.3
352.21136	0.2
357.09634	0.2
369.23819	0.2
401.12238	2.1
417.11539	0.1
433.11292	4.2
452.41745	0.1
667.90167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35859	4.0
55.05495	18.8
57.03428	11.6
57.61487	4.9
60.05996	4.5
67.05503	62.6
69.07066	11.7
79.05492	47.2
79.52785	4.1
81.03412	94.5
81.07051	59.8
83.08626	22.0
85.02946	4.1
91.03988	4.5
91.05489	36.2
93.07038	54.3
95.04952	34.2
95.08595	48.5
97.02875	5.2
97.06493	5.8
97.10172	6.2
105.07010	24.0
107.08578	26.2
109.06501	8.7
109.10140	19.9
117.07008	5.3
119.08556	26.6
121.06476	4.9
121.10143	25.5
123.11707	10.6
129.06950	7.3
131.08545	19.9
133.10115	14.9
135.11681	14.9
145.10120	8.2
147.11656	10.7
149.13272	8.8
152.92195	5.6
157.10141	9.5
173.13213	5.0
175.11223	7.8
193.12178	22.6
227.12675	5.2
229.38283	6.6
243.20950	6.4
261.22086	18.8
267.15884	100.0
301.25024	7.0
309.16794	4.2
317.24768	5.9
335.25784	99.1
342.29199	5.4
354.30801	5.4
453.33731	7.2
499.33203	4.5
527.37201	40.9
545.38391	19.9
569.38080	6.2
604.62231	4.5
623.38654	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	724.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87532	0.7
53.03924	1.3
55.01856	2.7
55.05267	0.8
55.05508	11.2
56.16090	0.7
57.03435	4.4
60.17381	0.7
61.02915	4.7
67.05503	18.9
69.03427	5.5
69.06721	1.2
69.07065	13.7
71.04974	2.5
71.23932	0.6
71.57602	1.4
73.02900	2.3
76.20473	0.7
79.05062	1.0
79.05491	12.8
81.03423	5.8
81.07050	17.7
83.04984	4.1
83.08612	7.0
85.02907	6.1
85.06532	2.0
86.09692	3.0
91.03952	2.9
91.05476	11.5
93.07044	11.9
95.04966	6.5
95.08607	6.9
97.02894	8.8
97.06525	2.5
97.10176	6.7
99.04440	1.0
99.08024	0.8
105.01807	0.9
105.07024	10.2
107.04950	5.7
107.08576	10.0
109.02856	1.9
109.06502	2.9
109.10149	7.9
111.04456	1.8
111.08068	1.9
117.06985	4.9
119.08577	6.8
121.06497	2.2
121.10110	6.3
123.04430	1.0
123.08044	2.7
123.11684	1.5
124.99964	1.5
125.05985	1.2
125.09641	5.4
127.03910	1.7
129.06979	2.0
130.07799	0.7
131.08557	5.1
133.06424	1.9
133.10118	7.4
135.08037	2.9
135.11665	2.5
137.05960	1.1
137.09569	2.1
143.08516	2.6
145.04941	1.8
145.06511	0.9
145.10115	4.2
147.08060	3.7
147.11670	2.6
149.09612	2.4
149.13228	1.3
151.11180	2.2
154.97635	0.7
157.10117	2.2
159.11703	1.4
161.09557	1.7
163.11215	2.5
164.94838	0.7
165.09151	1.3
169.37927	0.6
173.09595	1.4
173.11868	0.8
173.13216	0.6
175.11185	1.6
183.98256	0.7
184.07339	7.5
185.13293	1.4
187.13382	0.8
189.11240	3.3
191.10590	1.3
193.12273	4.5
205.12157	0.9
205.86143	0.7
211.13222	1.5
213.91826	0.7
215.12730	0.6
218.46954	0.6
223.13277	11.0
227.12697	4.3
245.18942	1.0
249.14764	1.9
251.12746	0.8
253.14325	4.2
255.17319	0.9
256.73172	0.7
263.20123	0.7
265.14246	4.1
267.15891	2.0
269.17502	1.2
271.15375	1.8
273.18460	7.6
283.15326	1.6
285.16983	9.2
291.19513	54.1
292.19666	1.6
301.16522	1.0
347.22150	4.7
365.23215	100.0
366.23611	2.3
383.24170	0.8
429.21161	1.2
451.26874	2.8
465.28275	0.9
469.28253	1.1
477.28601	2.7
495.29318	2.1
509.29675	0.6
527.28265	3.9
655.13330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
54.42430	2.2
55.01871	5.2
55.05304	2.3
55.05514	24.7
57.03431	11.1
57.07067	4.7
62.28890	2.0
62.32153	2.3
65.03952	4.7
67.05505	79.9
68.89229	2.2
69.03423	10.0
69.07077	15.2
70.18427	11.1
71.05002	25.0
78.44627	2.1
79.05493	37.5
81.03416	24.8
81.07059	100.0
83.04984	25.5
83.08623	10.0
85.02908	3.2
85.06545	9.4
91.05486	32.5
93.07048	42.5
95.04977	9.3
95.08610	31.8
97.02924	6.1
97.06539	5.8
97.10191	2.5
105.07027	25.4
107.04949	2.7
107.08588	24.8
109.06520	5.4
109.10167	17.5
111.04419	4.1
113.06018	2.1
117.07005	6.8
119.08593	12.8
121.10142	21.8
123.08056	3.1
123.11715	13.1
129.05511	12.9
129.07022	4.8
131.08603	12.4
133.10143	23.2
135.11710	10.2
137.05905	2.3
137.09656	3.1
143.08578	3.2
145.10139	9.8
147.04387	3.9
147.11694	12.7
149.09669	4.0
149.13246	3.9
151.11163	6.8
157.10124	3.7
159.11705	10.9
161.13329	3.0
165.12718	2.9
169.10172	3.0
173.04501	6.1
173.13235	3.4
174.52586	2.4
177.12744	2.7
183.13882	3.3
187.13315	13.8
187.14752	3.6
195.13640	3.4
225.14842	4.0
225.44962	2.6
243.15865	4.3
257.17477	3.4
261.22156	5.5
269.17578	10.8
277.21466	2.7
301.20276	2.2
304.23889	2.4
314.05740	2.8
335.25894	17.6
345.51566	2.6
426.65253	2.7
485.76642	2.8
503.37241	36.7
505.38898	22.1
517.38971	5.0
529.38739	7.4
561.41534	22.5
648.61981	2.7
673.42969	5.6
705.45306	7.1
723.46106	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	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01863	4.1
55.05510	29.3
57.03416	4.8
65.71672	2.8
67.05504	73.3
69.03413	9.1
69.07066	21.2
71.03442	7.5
71.04997	27.0
79.05494	35.7
81.03411	24.4
81.06584	6.7
81.07053	100.0
83.04970	17.9
83.08617	12.7
85.06546	6.2
91.05485	34.6
93.07046	42.0
95.04993	9.9
95.08596	34.8
97.02882	5.2
97.06519	7.1
97.10168	4.0
99.08097	4.5
105.07025	26.9
107.08575	27.2
109.02888	4.4
109.06511	6.4
109.10166	24.2
111.04456	5.0
111.08153	3.2
117.07030	8.4
119.08598	17.7
121.06483	4.1
121.10136	14.2
123.11716	12.0
126.29541	2.9
129.05479	12.7
129.06984	5.5
131.08575	12.1
133.10112	19.5
135.11664	12.2
143.08577	5.9
145.10158	11.4
145.77672	3.6
147.08025	3.6
147.11650	14.7
149.13271	7.3
151.11194	7.1
157.10103	5.3
159.11732	7.2
163.11143	4.1
169.10194	4.1
173.04482	6.0
187.13293	8.2
197.13425	3.8
209.68916	3.2
225.14781	4.1
227.12689	6.3
243.15828	4.8
255.67874	3.4
257.17773	3.1
269.17447	11.1
279.22925	2.9
335.25827	15.7
351.23093	3.5
369.24271	5.0
503.37314	19.6
505.38834	32.6
529.38635	4.0
535.99976	3.7
561.41345	11.6
612.63440	3.5
673.41833	5.0
705.45093	3.9
723.46301	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	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01863	2.6
55.05509	20.3
57.03421	7.6
67.05505	73.6
69.03435	12.5
69.07064	16.3
71.04985	19.9
79.05492	38.5
81.03413	21.3
81.07057	100.0
81.60202	2.2
83.04977	24.0
83.08611	7.2
85.02899	3.0
85.06532	8.5
91.05478	35.8
93.07045	40.1
95.04955	9.4
95.08607	29.8
97.02898	7.3
97.06554	4.6
98.21507	6.3
103.05477	2.8
105.07042	24.7
107.08597	24.4
107.61528	2.4
109.02882	3.9
109.06499	5.9
109.10172	15.7
111.04428	3.5
111.08094	2.7
117.07030	8.6
117.17957	2.3
119.08545	13.8
121.10145	17.1
123.11723	13.5
129.05479	11.1
129.07002	4.3
131.08578	14.3
133.06387	2.7
133.10120	17.2
135.11687	8.7
137.09657	2.7
145.10135	7.8
147.11636	12.8
149.13295	5.0
151.11145	9.5
152.25304	2.6
155.08606	3.0
157.10085	4.8
159.11688	9.4
161.13258	4.0
163.11142	2.5
171.11652	3.0
173.13263	5.9
175.14696	2.9
177.12775	5.3
183.13814	4.5
185.40216	2.5
187.13287	14.3
187.14767	3.2
200.82085	2.9
225.14815	3.8
243.15889	6.3
261.21988	3.1
269.17404	7.6
273.83047	2.3
283.75690	2.4
299.18378	3.3
335.25726	15.1
348.03806	2.8
351.23267	3.7
354.96609	2.4
393.76187	2.5
399.37915	2.3
441.89294	2.4
461.28946	2.5
503.37231	28.9
505.38864	17.6
525.26599	3.1
529.39246	5.7
561.41437	18.9
611.46692	4.5
673.43176	5.2
705.45483	6.1
723.46100	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	723.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01852	4.8
55.05505	28.4
57.03424	14.5
57.21679	3.0
59.92934	2.9
61.02923	7.4
65.03926	3.6
67.05502	84.1
69.03413	7.7
69.07067	18.5
71.04978	7.9
71.57851	3.8
78.22298	3.6
79.05061	4.9
79.05483	53.3
81.03394	8.3
81.07051	100.0
83.04964	10.7
83.08609	15.5
85.02896	12.6
85.06521	6.8
91.03957	3.3
91.05476	71.7
93.07037	58.3
95.04977	8.4
95.08604	46.5
97.02873	9.8
97.06508	6.8
97.10133	8.4
99.04406	3.3
99.08105	5.4
103.05427	3.5
105.07033	76.8
107.04968	5.1
107.08589	31.2
109.06510	9.1
109.10156	31.7
110.88321	3.5
117.06991	17.6
119.08580	57.8
121.10142	39.0
123.08042	8.0
123.11702	23.8
127.07508	6.1
128.06187	3.7
129.06992	4.8
131.08611	21.0
133.10152	30.6
135.11702	14.1
136.54021	3.4
137.09610	7.2
143.08539	7.4
145.01416	3.2
145.10147	15.7
147.11668	76.6
149.13251	6.1
155.08549	6.1
157.10110	8.9
159.11678	16.2
161.13252	17.9
163.11218	7.1
165.12749	25.5
169.10141	3.8
171.11719	10.1
173.09543	3.9
173.11800	7.2
173.13269	10.2
175.11259	3.4
175.14854	14.2
184.07306	8.4
193.12196	5.3
195.13901	3.8
199.14844	8.4
201.79579	3.3
229.14386	10.0
231.21097	6.6
241.19504	20.1
259.20563	43.9
261.22141	4.6
267.15952	29.0
275.20108	6.3
285.16928	52.1
301.21451	3.8
315.22980	5.2
331.65143	3.5
333.24155	35.6
335.25418	4.1
340.43512	3.3
351.25409	8.2
469.32889	3.9
489.35724	19.1
525.35706	5.3
543.36749	21.8
561.37549	12.8
687.40393	5.3
723.38281	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
54.70176	1.9
55.01867	4.8
55.05505	18.2
57.03424	6.4
57.07066	2.3
61.02927	15.0
63.24514	2.0
67.05503	34.8
68.05043	1.9
69.03425	10.0
69.07065	12.3
71.04980	3.9
71.57867	2.6
71.58218	3.8
73.02911	8.2
74.30360	2.3
79.05495	24.3
81.03410	8.8
81.07044	34.9
82.98729	2.1
83.04974	5.7
83.08616	8.8
85.02896	12.4
85.06548	4.0
86.74403	2.0
91.03946	5.9
91.05466	23.1
91.05959	3.0
93.07047	23.4
95.04961	5.4
95.08620	20.0
97.02874	12.1
97.06519	4.1
97.10182	6.6
99.04491	4.0
105.07015	20.5
107.08598	15.3
109.06506	4.4
109.10164	15.3
109.10804	2.3
111.08092	3.0
116.00891	2.0
117.07027	8.8
119.08577	19.3
121.06517	2.3
121.10120	10.3
123.08089	2.4
123.11727	2.6
125.09640	5.4
127.03903	3.3
129.07024	8.5
131.08549	16.8
133.10118	11.4
135.07997	3.6
135.11652	5.9
136.71414	2.2
137.09564	2.1
141.07008	4.2
142.07841	2.7
143.08585	7.5
145.10138	13.7
147.11694	6.0
149.09644	3.5
155.08566	4.2
157.10129	11.3
159.11639	10.9
161.13234	3.9
162.10583	2.1
163.11128	2.4
165.09126	7.8
169.10164	7.4
171.11732	7.8
173.11844	3.7
173.13362	6.9
175.11221	2.9
183.11681	4.9
184.07408	2.1
184.44836	2.4
185.13271	3.7
187.11140	2.5
187.14919	3.0
189.11325	4.6
193.93755	2.2
195.11743	4.1
197.13188	4.6
203.10814	2.1
205.34692	2.2
209.13387	2.2
227.12874	3.4
243.08511	2.9
243.15971	2.4
273.18240	2.6
274.70126	2.2
275.20175	4.1
283.20560	2.4
285.22189	7.5
299.23700	4.3
301.21503	3.2
359.25937	2.3
399.04095	2.8
413.17838	7.3
433.31076	10.0
439.31592	3.2
451.31931	6.6
469.32840	6.1
517.34735	2.7
525.35669	20.3
543.36761	42.4
543.44617	3.7
551.28436	7.7
561.37921	34.9
617.47632	2.6
723.39197	100.0
724.39478	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	723.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	22.7
67.05483	1.2
67.89896	0.6
69.45900	5.9
70.07462	0.5
71.95249	2.5
72.96060	1.5
74.97610	0.8
75.60750	0.7
79.05471	0.7
81.03384	0.6
81.07043	1.7
84.96045	0.7
85.02885	0.9
91.05488	0.9
93.07056	0.9
95.08598	1.2
97.02884	0.6
105.07001	0.9
107.08559	0.8
109.06522	0.6
119.08587	0.8
123.38539	0.6
127.03831	0.7
141.02272	1.0
145.09998	0.6
146.99614	0.6
155.03784	1.5
159.03355	1.2
167.03708	0.6
171.03220	1.0
172.18282	0.6
185.04933	1.1
189.04350	2.0
199.02824	1.2
203.02254	0.6
203.05911	1.4
211.06497	1.0
217.03864	1.5
217.07536	0.8
223.09898	3.2
229.07455	0.8
239.09535	0.8
241.11104	41.7
255.09058	0.9
259.12164	78.7
264.12631	3.5
267.08957	6.8
277.13214	0.9
282.13791	4.3
285.10080	30.4
303.11118	30.7
308.11658	2.7
315.99857	0.7
326.12766	2.1
339.57141	0.7
477.21530	0.9
495.22626	100.0
496.22675	1.0
536.25177	1.0
658.17639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01874	0.7
55.05503	2.8
57.03424	1.7
61.02922	5.5
61.32393	0.5
67.05502	9.7
69.03423	3.6
69.07057	1.8
69.59348	4.0
71.01350	0.6
71.05000	0.9
73.02921	3.2
79.05492	3.5
81.03389	2.3
81.07056	4.8
81.24744	0.4
83.04967	0.7
83.08630	1.0
85.02904	5.4
86.28338	0.4
88.90815	0.5
91.03955	2.4
91.05469	3.4
93.07037	4.2
95.04987	1.6
95.08621	3.5
97.02882	3.8
97.06540	1.0
97.10206	0.7
98.20759	0.8
99.04441	0.7
101.02395	0.8
103.03909	0.6
105.07021	2.8
107.04951	0.5
107.08604	1.9
109.02936	0.7
109.06558	0.6
109.10153	7.4
111.08061	0.5
117.07000	0.5
119.08598	2.6
121.06508	0.5
121.10159	1.2
123.11741	0.6
125.09604	0.7
127.03910	1.5
128.45699	0.5
129.05498	0.6
129.07014	0.8
131.08583	1.3
133.10136	1.6
135.11679	0.9
137.09619	0.7
143.08595	0.5
145.10115	0.8
147.11749	0.8
149.09610	1.0
149.13275	0.9
159.11815	0.6
163.11212	0.6
165.09166	2.3
173.11752	1.9
184.07358	1.0
185.04164	0.7
195.09825	0.7
203.10783	1.0
229.14488	0.8
243.08435	2.7
269.17462	0.8
275.20151	0.7
301.09036	0.6
333.20328	1.7
341.57700	0.4
355.18454	0.8
413.17816	10.6
413.23050	0.7
414.18091	0.7
439.32025	1.0
453.20825	0.8
551.28229	6.6
620.59320	0.5
625.32483	0.7
683.97345	0.6
723.39209	100.0
724.39465	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	723.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	10.1
57.03455	1.6
65.03930	0.8
69.03406	1.3
69.33977	8.5
69.62749	0.8
71.04990	13.1
73.02912	1.1
81.03424	0.9
84.96017	4.0
85.02903	19.2
91.05487	8.0
91.65253	0.8
98.20782	1.7
98.96930	1.5
98.97575	28.6
98.98196	1.8
110.97579	6.2
112.14899	0.8
116.98621	23.6
119.01936	1.7
119.04943	12.3
121.01681	1.9
122.96648	0.8
127.03903	0.8
128.98605	13.8
129.05476	3.9
131.00124	1.2
131.01987	0.9
133.01694	1.0
134.99661	9.9
135.04419	0.8
140.00240	1.0
140.98595	2.2
143.00168	6.4
145.01695	1.6
146.99649	15.6
147.04404	60.2
148.04752	5.7
149.01178	2.1
149.05002	1.0
152.98599	1.2
155.01952	1.0
157.01633	1.0
158.99637	15.5
161.01228	12.7
161.02774	1.5
162.12695	0.8
163.02667	2.9
163.03931	2.5
165.00708	2.6
170.99631	13.3
171.03209	0.9
173.01294	1.3
173.02959	1.3
175.02695	2.1
177.00710	18.7
177.05466	1.1
179.02261	2.7
182.99591	9.7
185.01247	1.8
185.02878	1.4
187.02708	2.5
189.00694	22.7
189.02336	1.3
191.02303	1.1
195.01831	2.5
199.02858	1.3
201.00703	48.5
203.02283	2.3
204.01219	1.2
207.01794	3.5
212.02397	1.0
213.00731	3.3
217.03673	1.0
219.01765	41.6
220.02136	0.8
224.02257	1.6
225.04416	1.7
229.03795	1.0
231.01665	6.6
233.35477	0.8
237.02820	19.5
239.02295	2.3
242.03329	2.3
243.01768	16.2
244.04576	0.8
245.05026	3.1
246.05241	1.7
247.04808	5.6
249.04486	1.7
255.03830	1.2
257.03265	4.5
260.04529	1.5
261.02792	83.8
262.03418	1.4
265.05954	1.3
267.05511	3.5
273.02670	5.0
279.03860	52.0
280.04199	1.4
281.03723	1.0
284.04300	1.3
287.05280	1.3
291.03827	16.6
297.04877	1.8
299.04077	1.1
302.05365	4.0
303.05014	5.4
309.04935	1.2
321.04898	34.1
322.05286	1.1
333.04846	4.6
348.99347	1.2
351.05942	9.0
361.01788	1.6
363.06018	2.0
369.08899	1.0
377.01779	10.0
378.02048	2.3
380.05646	1.0
380.94131	2.1
381.06989	25.0
381.58289	0.8
395.02902	5.0
398.07468	3.3
399.08130	31.4
422.09897	1.9
423.06467	2.8
433.08243	2.0
441.09164	100.0
442.09543	2.5
453.08871	2.2
465.23248	0.9
471.10406	7.6
471.60461	3.1
480.11063	2.2
525.09241	1.7
543.10822	1.6
631.09497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76181	1.8
53.03931	7.5
54.03091	1.6
55.01868	4.0
55.05507	23.5
56.86021	1.9
57.03420	11.2
57.07064	5.3
61.02913	5.9
65.03932	4.1
67.05504	77.9
69.03429	16.4
69.07061	23.1
71.04992	22.6
71.57998	3.2
73.02920	3.8
77.03945	1.9
79.05492	48.8
81.03416	30.1
81.07053	100.0
82.07384	3.0
83.04977	7.8
83.08606	15.0
84.42152	1.7
85.02895	9.8
85.06538	7.6
91.03954	2.3
91.05479	49.0
93.06478	3.0
93.07043	52.8
95.01317	2.5
95.04948	12.2
95.08607	34.1
97.02873	10.1
97.06534	10.7
97.10161	4.6
99.04447	4.2
99.08083	2.4
100.91569	1.9
103.05408	2.2
105.07026	43.0
107.04955	4.3
107.08595	31.8
109.02884	4.5
109.06515	6.3
109.10156	22.9
111.04488	2.2
111.08093	4.2
114.52773	1.5
115.05431	2.5
117.07005	16.0
119.08588	32.2
121.06557	1.8
121.10117	23.7
123.08086	4.6
123.11718	9.7
127.03893	5.1
128.06161	2.5
129.05476	4.1
129.06975	12.0
131.08548	22.4
133.06488	2.0
133.10127	28.1
135.08052	2.8
135.11671	15.8
137.09645	2.3
139.11172	3.0
141.07016	2.9
143.08554	13.3
145.06458	2.5
145.10133	21.1
147.07988	2.6
147.11681	21.4
149.09644	7.0
149.13268	12.3
151.11191	5.8
153.12650	3.3
155.08621	4.4
157.10106	13.2
159.11685	21.6
161.13240	12.6
163.11165	3.0
163.14732	3.1
165.12784	2.8
167.08469	3.0
169.10129	7.9
171.11697	12.1
173.04489	11.5
173.13287	13.0
175.11148	4.4
175.14832	5.2
177.12776	5.0
181.10214	2.8
183.11682	6.2
185.13278	7.4
187.11073	2.2
187.13283	5.3
187.14827	4.7
193.12166	3.7
195.13766	2.4
197.09790	2.6
197.13306	2.2
199.14839	3.2
211.14890	2.8
212.86247	1.8
227.16451	3.5
241.19548	6.1
243.15952	5.7
257.19202	2.2
259.20761	11.9
261.22034	9.0
267.15915	3.8
269.17517	3.1
275.20020	3.8
315.23114	2.7
316.13443	1.9
317.24884	4.9
331.19449	2.0
333.24152	7.3
335.25891	3.6
349.24118	2.5
386.53574	1.9
393.31320	4.7
409.30923	4.4
411.32889	4.9
413.17551	3.8
485.36166	2.9
501.35895	17.1
503.37289	72.0
504.37878	2.5
527.37262	14.4
533.38458	2.8
541.35278	4.6
549.26715	4.6
559.36603	2.3
689.41895	7.6
703.43457	2.4
721.37146	49.2
722.37408	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.4
51.54309	1.5
53.03949	10.4
54.73243	1.5
55.01865	5.1
55.05511	21.6
57.03442	12.3
57.07066	2.3
61.02920	3.9
65.03934	4.8
67.05503	67.9
69.03426	11.7
69.07066	21.8
71.04990	30.5
71.08610	1.8
73.02918	2.4
73.06583	1.7
79.05016	1.5
79.05488	47.7
81.03414	26.0
81.07053	100.0
83.04984	7.7
83.08612	11.3
85.02894	8.2
85.06546	9.3
91.05476	56.3
93.07038	54.4
95.01340	1.7
95.04971	11.6
95.08606	37.7
95.09176	3.1
97.02888	11.0
97.06529	6.7
97.10155	4.9
99.04452	2.7
99.08076	2.6
105.07030	48.4
107.04989	4.6
107.08584	33.0
108.72105	1.8
109.02863	7.7
109.06549	5.2
109.10162	15.1
109.94417	1.4
111.03677	1.8
111.04433	4.3
111.08089	4.3
113.06020	1.9
117.07010	16.9
119.08570	32.6
119.09360	2.6
121.06473	1.7
121.10126	19.3
123.04469	1.6
123.08061	5.0
123.11725	11.6
125.09649	2.8
127.03912	4.7
128.06247	2.1
129.05449	4.6
129.06993	12.6
131.08568	30.4
133.10132	28.0
135.08076	3.1
135.11685	18.0
137.09641	3.0
139.11159	3.0
141.06976	3.7
142.07797	2.7
143.08546	11.9
145.06471	3.8
145.10115	23.1
147.08067	2.0
147.11699	25.0
149.09644	4.1
149.13246	11.8
151.11203	6.4
153.07013	1.7
153.12695	3.2
155.08524	7.9
157.10107	14.2
159.08163	1.5
159.11693	18.7
161.09650	2.0
161.13252	10.4
163.11185	2.7
165.07034	2.2
165.12778	2.8
167.08562	3.9
169.08870	1.6
169.10165	9.0
169.12251	2.6
171.11661	12.4
171.38075	1.6
173.04454	9.0
173.05658	1.5
173.13274	11.7
175.11206	5.6
175.14810	5.5
177.12766	3.7
181.10130	4.4
183.06499	1.6
183.11682	6.6
184.07436	1.6
185.13208	9.9
187.11229	1.6
187.13293	6.1
187.14851	5.3
189.11209	2.4
189.12704	2.0
189.16335	2.0
193.10109	2.6
193.12231	4.8
195.11691	5.1
195.13641	2.3
197.09703	1.9
197.13268	5.4
199.14868	5.1
201.12894	1.6
201.14752	2.4
201.16458	3.2
207.11790	2.5
215.18130	2.1
221.13361	1.8
223.14838	2.0
225.14749	3.4
227.16467	3.9
231.21046	2.3
239.18015	2.3
241.19565	5.8
243.15894	4.4
243.21120	3.6
257.17227	3.4
257.19388	2.2
259.20868	13.3
261.22107	8.9
267.15964	3.5
269.17456	4.5
273.18579	2.4
275.20142	4.6
283.20523	2.7
285.17038	2.2
313.21466	1.8
315.23157	3.3
317.24719	3.1
323.23569	1.9
333.24380	9.7
335.25714	6.9
339.22849	2.0
341.24625	2.1
351.23077	3.1
359.25415	1.7
367.22610	3.1
393.31277	2.8
409.30896	2.0
411.32562	3.7
435.32782	3.4
485.36392	4.1
501.35696	22.3
503.37271	68.1
504.37497	4.3
509.36221	2.9
527.37238	40.8
528.37756	2.0
533.38342	4.4
541.35034	2.3
559.39636	7.0
593.06366	1.8
617.38330	2.0
653.40112	3.7
667.41687	4.1
671.41376	4.8
685.42340	4.4
689.43054	8.8
703.43060	5.5
721.48907	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	721.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90631	1.9
71.55902	2.5
71.56638	1.9
82.15423	1.6
91.05444	2.4
101.00881	3.7
104.10213	1.9
107.28366	1.7
119.01911	23.3
119.04914	10.9
131.01938	12.4
131.90390	2.0
133.03467	2.5
137.02975	7.2
143.01886	12.1
145.03459	6.5
147.01384	6.1
147.04395	100.0
149.02948	4.6
155.01863	10.3
155.90497	1.9
157.03433	4.0
161.02968	27.5
163.04451	2.5
167.01817	2.4
169.03398	2.5
171.04988	2.2
173.02936	20.2
175.04472	3.1
185.02946	29.6
187.04630	3.3
189.02458	2.0
191.03969	2.4
197.02969	8.4
201.02466	2.7
203.04025	15.9
203.05646	2.7
205.03502	6.3
215.04065	5.1
221.05103	4.4
223.04510	14.7
227.04045	5.0
229.03476	7.9
233.03166	2.3
241.05586	11.7
243.05173	2.2
245.05070	62.5
247.04533	37.3
259.04755	9.5
261.06079	7.2
263.06149	7.1
265.05579	32.8
270.49780	2.1
273.06018	3.1
275.02603	5.5
275.06116	4.6
277.04022	3.4
283.06686	9.9
285.04517	4.1
287.03964	14.7
289.05408	3.6
291.07010	2.6
293.03955	2.2
293.07251	5.8
301.05652	2.3
305.07297	3.8
307.06702	6.7
323.06354	3.6
335.08401	3.4
349.07712	10.3
351.05920	2.3
359.05212	4.4
361.04074	13.4
365.09357	8.3
367.08521	10.6
377.05731	6.0
379.05154	6.8
389.07291	5.0
395.06729	5.7
397.06140	16.8
399.96310	2.0
403.05188	8.1
421.06152	28.4
431.08423	13.9
433.06204	2.3
439.07007	18.3
449.09262	5.5
451.07205	5.8
457.08469	3.2
469.07922	2.3
481.08148	6.0
505.08160	3.3
523.09204	14.3
529.13586	4.4
541.10321	9.9
685.14355	2.2
703.15350	3.1
713.70593	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	721.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96588	2.0
58.99862	1.6
60.00852	1.0
61.47641	0.9
61.60075	1.0
69.03413	1.5
71.01716	2.1
73.55219	1.0
77.00900	2.4
84.95943	1.1
85.02900	2.0
91.05463	4.0
95.01932	1.5
97.02905	0.9
98.97562	2.0
101.00888	3.5
109.02915	1.2
113.00878	1.6
115.02422	1.6
116.98606	1.8
119.01912	28.9
119.04928	11.2
131.01883	13.0
133.03456	3.0
133.06432	1.3
134.99652	0.9
137.02943	7.1
142.03481	1.4
143.01874	11.7
145.03474	10.7
147.01350	7.9
147.04393	100.0
148.04756	1.1
149.01244	1.1
149.02954	2.4
155.01897	8.3
157.03453	3.7
161.02956	26.3
163.04526	2.7
167.01894	3.7
169.03459	1.4
171.01453	1.8
171.04990	1.2
173.01395	1.8
173.02950	24.3
175.00900	1.2
175.04459	2.5
177.00902	1.0
177.02425	2.2
179.01875	2.2
181.03528	1.1
184.04497	1.2
185.02939	24.3
187.02724	1.2
187.04492	3.8
189.02408	2.7
191.04050	1.3
197.02959	10.1
197.06581	1.6
201.00754	1.3
201.02472	3.1
203.04007	11.8
205.03456	6.8
209.02934	2.0
211.04445	1.7
215.03979	8.0
221.04997	3.1
223.04506	17.0
227.04019	5.4
229.03619	4.9
231.03552	1.1
233.05052	1.5
237.02620	2.0
237.06110	1.9
241.03409	2.0
241.05579	12.2
242.09724	1.0
245.05048	54.6
247.04507	34.6
248.04654	1.4
251.02585	1.2
257.05115	4.2
259.04727	11.3
261.06207	6.7
263.03775	1.2
263.06146	7.7
265.05548	39.6
271.04547	1.3
273.06052	3.0
275.02646	3.2
275.04095	1.2
275.06256	4.7
277.03830	2.1
279.07132	3.2
281.04874	1.1
283.06693	10.9
285.04547	2.4
287.03937	12.6
288.07010	1.7
289.05460	2.1
291.07062	2.8
293.03696	1.4
293.07144	1.9
295.06607	2.4
299.03934	1.8
301.05408	2.2
305.07141	3.3
307.06503	6.3
307.16473	1.2
315.03397	1.7
319.06750	1.4
325.07736	1.8
329.04984	2.4
333.04599	1.7
335.08322	2.2
337.07587	1.6
347.06076	1.3
349.07626	8.5
351.05359	1.5
353.06534	1.1
356.00330	1.2
359.04733	3.6
361.03964	10.2
365.09204	4.6
367.08670	8.4
377.05988	3.7
379.05106	3.9
389.06735	1.6
395.06818	2.2
397.06012	14.4
403.04941	5.9
405.06577	1.6
409.09534	1.4
415.06845	2.3
421.06088	27.5
422.06247	1.4
431.08228	10.7
433.06097	3.3
439.07138	19.2
444.08170	1.2
449.09021	4.0
451.07242	8.2
457.08176	2.6
469.08102	1.9
481.08142	3.7
499.09430	3.3
505.08249	3.1
523.09381	12.5
529.14117	2.7
539.10376	1.4
541.10004	7.1
557.12018	1.0
559.11517	3.1
685.13049	1.6
703.15106	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	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.9
57.03433	8.7
57.07076	32.7
63.12897	2.8
66.87929	2.7
67.05501	31.8
67.66332	2.8
69.07060	16.7
69.17773	2.7
69.23969	6.5
69.24392	25.1
71.04984	3.8
71.08636	20.1
76.39974	2.6
79.05492	11.3
81.07054	72.5
83.04967	7.6
83.08627	15.8
84.81031	2.6
85.02892	5.0
85.06524	3.7
85.10198	13.6
91.03909	2.9
91.05483	15.7
93.07038	7.1
95.08042	4.1
95.08606	33.3
97.06541	5.9
97.10184	6.0
99.08108	4.4
99.42557	2.5
105.07034	27.9
107.08601	10.0
109.06559	4.2
109.10152	10.7
115.13786	2.6
119.08585	20.8
121.10155	14.0
123.08062	4.2
123.11719	27.7
127.07545	3.0
137.13223	4.5
147.11690	56.4
165.12746	21.7
178.51186	2.7
183.13870	3.7
198.42903	3.0
229.14438	4.7
239.23709	4.3
267.15912	87.8
285.16946	92.4
313.19669	3.6
313.27332	100.0
314.27716	2.7
374.04086	2.6
429.74088	3.1
476.21420	8.1
523.39923	88.8
524.40082	3.8
622.27319	6.1
623.28436	20.6
638.41656	2.8
715.88538	2.8
738.52356	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	719.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86152	7.8
51.63486	8.1
53.03928	12.5
55.01865	14.9
55.05500	36.0
57.03411	13.8
57.07060	7.6
61.02903	21.2
65.03912	7.6
67.05504	100.0
69.03416	24.4
69.07058	18.9
71.04981	12.0
76.13197	6.7
79.05477	77.7
81.03413	26.3
81.07043	80.1
83.04945	14.0
83.08596	13.3
85.02880	18.0
91.05470	95.5
93.07046	81.0
95.04932	31.0
95.08606	67.6
97.02869	13.1
97.06514	10.7
97.10168	11.3
98.20695	11.6
104.10679	8.6
105.07025	70.3
107.04925	11.3
107.08585	38.8
109.06449	9.7
109.10141	24.0
117.07014	35.1
119.08562	48.8
121.06477	11.8
121.10126	27.6
123.08031	11.2
123.11715	7.3
129.06952	28.9
131.08553	41.7
131.18082	6.9
133.10139	46.4
135.11665	17.9
141.06958	13.0
143.08516	20.9
145.10094	27.3
147.11687	40.4
149.13228	8.8
155.08528	17.0
157.10086	20.9
159.11668	13.8
161.09554	9.4
161.13239	22.3
169.10147	21.4
171.11678	23.7
173.13257	11.0
175.14790	10.6
181.09975	10.8
183.11659	14.8
184.07315	10.0
185.13197	17.6
187.14732	11.0
195.11682	10.9
195.13525	6.8
197.13335	11.3
209.13240	10.3
219.17453	10.3
259.13251	7.3
259.20602	28.2
265.16833	7.5
275.20029	30.6
281.17480	21.6
344.98538	8.3
437.34082	9.2
447.32385	15.4
465.33420	21.1
483.34781	15.9
539.37347	99.1
557.38477	67.1
580.91022	10.3
598.04785	8.0
604.11517	8.6
617.77716	8.6
701.41803	17.7
719.38910	28.1
719.46301	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86152	7.8
51.63486	8.1
53.03928	12.5
55.01865	14.9
55.05500	36.0
57.03411	13.8
57.07060	7.6
61.02903	21.2
65.03912	7.6
67.05504	100.0
69.03416	24.4
69.07058	18.9
71.04981	12.0
76.13197	6.7
79.05477	77.7
81.03413	26.3
81.07043	80.1
83.04945	14.0
83.08596	13.3
85.02880	18.0
91.05470	95.5
93.07046	81.0
95.04932	31.0
95.08606	67.6
97.02869	13.1
97.06514	10.7
97.10168	11.3
98.20695	11.6
104.10679	8.6
105.07025	70.3
107.04925	11.3
107.08585	38.8
109.06449	9.7
109.10141	24.0
117.07014	35.1
119.08562	48.8
121.06477	11.8
121.10126	27.6
123.08031	11.2
123.11715	7.3
129.06952	28.9
131.08553	41.7
131.18082	6.9
133.10139	46.4
135.11665	17.9
141.06958	13.0
143.08516	20.9
145.10094	27.3
147.11687	40.4
149.13228	8.8
155.08528	17.0
157.10086	20.9
159.11668	13.8
161.09554	9.4
161.13239	22.3
169.10147	21.4
171.11678	23.7
173.13257	11.0
175.14790	10.6
181.09975	10.8
183.11659	14.8
184.07315	10.0
185.13197	17.6
187.14732	11.0
195.11682	10.9
195.13525	6.8
197.13335	11.3
209.13240	10.3
219.17453	10.3
259.13251	7.3
259.20602	28.2
265.16833	7.5
275.20029	30.6
281.17480	21.6
344.98538	8.3
437.34082	9.2
447.32385	15.4
465.33420	21.1
483.34781	15.9
539.37347	99.1
557.38477	67.1
580.91022	10.3
598.04785	8.0
604.11517	8.6
617.77716	8.6
701.41803	17.7
719.38910	28.1
719.46301	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	30.7
56.58798	2.8
57.03444	16.6
57.07070	4.2
61.02926	4.7
67.05504	54.3
69.07072	43.8
69.88580	6.3
69.88992	14.0
71.04992	5.3
71.08662	4.1
73.02918	3.5
79.05482	21.8
81.07058	94.1
83.04977	9.4
83.08614	28.2
85.02903	5.9
85.06529	5.1
87.88670	2.9
91.05484	21.1
93.07031	21.9
95.08607	39.3
95.09177	5.2
97.06533	10.3
97.10176	14.2
99.08092	4.3
105.07030	36.4
107.08570	19.7
107.36679	3.1
109.06512	6.5
109.10139	9.0
113.44027	3.4
118.52459	3.6
119.08562	26.6
121.10123	28.0
123.08069	4.6
123.11714	37.7
133.10254	3.2
135.11688	8.6
137.13268	4.6
147.11676	68.1
165.12766	26.2
175.11238	3.4
223.25102	3.3
229.14316	6.9
237.22046	5.7
267.15924	100.0
285.16956	93.0
311.25775	94.5
311.29224	6.7
348.41907	3.9
521.38379	91.1
522.38623	5.7
718.45715	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	718.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	4.5
55.05508	16.8
57.03443	10.8
57.07079	2.0
59.04993	4.4
59.63043	1.2
61.02928	2.4
65.03934	4.0
67.05502	100.0
69.03417	4.9
69.07061	19.2
71.03038	2.9
71.04990	6.4
79.05070	2.0
79.05489	22.3
81.03417	9.1
81.07056	39.2
81.07524	2.3
83.04976	5.9
83.06086	3.0
83.08605	10.8
85.02885	5.1
85.06548	2.4
91.05469	25.2
93.04507	1.4
93.07042	29.3
95.04977	7.8
95.06080	2.5
95.08606	16.8
97.02890	3.9
97.06498	8.8
97.10165	5.0
105.07025	19.1
107.04961	5.3
107.08586	19.3
108.05553	1.5
109.06491	4.3
109.10152	66.2
109.48923	1.4
110.07156	14.9
111.04496	1.7
111.08068	4.3
117.06999	7.3
119.08572	18.9
121.06477	3.6
121.10159	8.3
125.09632	6.4
129.05499	1.7
129.06998	3.3
131.08572	9.8
133.10129	11.0
135.08075	3.4
135.11702	6.0
137.09601	4.5
141.06996	2.1
143.08559	2.9
145.10097	9.1
147.11708	3.9
149.09598	7.1
149.13255	5.4
151.11203	2.2
152.41245	1.6
155.10661	3.6
157.10135	2.9
159.11687	6.4
161.13248	1.9
163.11188	5.8
169.10243	1.7
171.11671	2.1
173.11757	17.7
173.13158	2.6
177.12727	2.8
185.13231	1.9
189.11229	3.8
195.13701	1.7
227.12709	15.0
229.14336	62.0
239.18150	1.8
239.50800	1.4
257.19000	8.1
259.12106	2.1
269.17441	10.1
275.20074	19.7
293.20740	2.4
335.25656	1.8
349.23770	16.0
367.17673	2.1
367.25037	1.7
368.18362	1.6
383.24292	1.9
399.23672	2.8
407.28055	1.7
409.25891	13.1
423.27411	49.8
503.33664	24.0
521.34204	4.0
628.18335	1.6
718.46436	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	718.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06160	0.7
53.03935	1.9
55.01854	2.2
65.03938	2.3
66.04719	0.9
67.05508	1.7
67.82286	0.8
69.97849	3.5
70.92395	0.8
73.02901	1.0
75.04479	1.8
78.04706	1.5
79.05505	4.2
81.03419	1.8
81.07066	1.8
81.41373	0.8
85.02903	4.6
91.05485	8.6
93.03391	5.9
93.07034	2.3
94.04167	1.6
95.04969	6.9
97.06549	2.2
103.05465	21.9
105.03392	2.6
105.04551	0.9
105.07028	3.6
106.04169	10.0
107.04945	7.2
108.02128	1.2
109.02855	0.9
109.06485	1.4
111.04437	2.4
115.05460	3.8
117.07007	3.1
118.04130	5.2
119.04950	3.3
119.08588	0.9
120.80656	0.8
121.06490	14.6
122.03639	3.5
123.04420	2.3
124.05190	2.0
125.05994	7.2
127.03981	0.9
129.07013	1.3
130.04155	1.0
130.18243	0.8
131.04922	31.4
131.08611	0.8
132.05707	1.1
133.02852	2.6
133.06506	3.5
134.03642	2.3
135.04408	2.1
135.08052	1.0
137.05972	54.4
139.07542	1.5
141.05441	1.6
142.42755	0.8
143.04906	2.1
144.05740	1.1
145.02916	1.2
145.06471	4.4
146.03682	1.3
147.04395	4.6
147.08040	2.2
148.05167	12.1
149.05975	22.3
151.03903	64.9
151.04961	3.3
151.07541	1.9
153.05458	3.4
153.09108	4.7
157.06461	1.4
159.08052	1.9
160.05208	2.1
161.05925	6.5
162.01347	0.9
163.03879	2.0
163.07541	24.0
165.05498	2.8
167.07047	21.9
171.06537	2.5
173.05984	4.9
175.07468	4.3
176.04648	2.0
177.05472	15.9
178.00801	1.5
179.07028	2.3
181.04951	31.4
181.06541	1.6
181.08575	10.7
187.07507	2.1
189.05414	1.5
190.00783	1.5
191.07022	100.0
192.07742	2.1
193.03206	5.0
193.04944	1.9
193.08588	2.7
195.06528	3.1
201.05463	1.1
203.07030	3.1
205.08582	3.2
207.06543	1.2
209.08075	68.9
217.08644	1.1
219.08208	1.3
219.10201	3.5
221.07993	1.0
223.04230	13.3
231.06615	1.0
233.08078	3.4
234.06660	1.0
235.07585	1.1
235.09593	4.1
249.09145	1.3
263.06552	1.8
263.09158	18.5
265.08606	1.7
267.10226	2.2
277.08694	1.0
279.10056	0.8
287.05582	1.1
293.07950	1.1
295.09656	1.6
297.11288	2.0
309.10953	1.4
312.09033	2.2
325.10825	1.5
327.12308	2.8
329.13818	1.2
339.12387	1.9
341.13748	1.3
351.12244	1.3
355.11868	7.1
357.13339	3.8
359.14929	1.7
369.13303	3.3
385.12701	3.0
387.14313	24.0
399.14444	1.1
409.98431	0.9
417.15356	3.5
433.35156	0.9
547.19635	1.4
579.21844	1.4
717.46820	1.0
718.47253	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	718.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.6
51.02374	1.0
53.03939	1.0
54.45317	0.6
55.01857	2.0
56.44280	0.6
56.73281	0.5
62.47933	0.7
65.03929	3.4
66.04733	0.6
67.05478	1.9
69.03427	1.3
69.98148	3.3
71.01342	0.5
71.04971	0.8
73.02846	0.6
75.04462	2.1
78.04697	1.1
79.05494	4.1
79.81444	0.5
81.03398	2.7
81.07007	0.9
85.02892	3.0
89.03902	0.9
91.05467	7.7
93.03399	4.5
93.07024	3.0
94.04165	1.1
95.04959	6.3
97.06516	2.5
98.21649	0.5
101.06021	0.6
103.05457	22.5
105.03387	1.5
105.04465	0.6
105.07021	4.5
106.04160	9.4
107.04961	6.1
108.02055	1.3
109.06496	1.8
110.03643	0.9
111.04436	2.2
114.99876	0.6
115.05433	4.4
117.03376	0.8
117.07026	3.8
117.15225	0.7
118.04167	5.5
119.04934	3.8
120.05685	1.2
121.06499	11.3
122.03659	4.5
123.04401	2.8
123.08031	0.7
124.05178	1.4
125.05975	6.1
127.05376	0.6
127.07517	0.5
127.10259	0.5
129.06984	2.5
130.04124	1.4
131.04918	33.6
131.08609	0.7
132.05649	0.8
133.02808	2.2
133.06487	6.1
134.03647	1.7
135.04373	1.6
135.08046	2.0
137.05966	48.1
139.07530	1.2
141.05447	2.1
142.02582	0.6
143.04936	1.3
144.05672	1.5
145.02840	0.9
145.06451	5.2
146.03566	0.9
147.04401	3.1
147.08052	1.5
148.03995	0.8
148.05182	11.8
149.05975	19.0
151.03896	60.3
151.04993	3.5
151.07555	2.3
152.04524	1.0
153.05470	2.8
153.09079	5.0
157.06482	0.9
159.04375	1.6
159.08043	1.2
160.05199	1.9
161.05956	5.5
162.01312	1.5
163.03908	1.8
163.07530	25.0
165.05498	3.8
167.07024	23.6
171.04317	0.9
171.06497	1.6
172.05284	0.6
173.05934	3.4
174.06670	1.1
174.56926	0.6
175.07529	5.3
176.04648	2.1
176.52371	0.6
177.05467	15.9
177.09067	0.8
178.00821	0.7
178.06017	0.6
179.07025	2.3
179.08458	0.8
181.04944	34.1
181.08534	11.3
181.09982	0.5
187.07587	2.7
189.05449	1.3
189.09171	0.9
190.00694	0.9
190.06236	1.0
191.07018	100.0
192.07724	1.6
193.03139	4.5
193.04831	1.0
193.08597	2.6
195.06509	2.9
201.05397	1.2
203.06963	3.8
205.06639	1.1
205.08577	3.0
207.06506	1.3
207.08307	0.7
207.10223	1.1
208.01846	0.7
209.08073	55.6
210.08559	0.7
217.08720	1.5
219.10078	3.9
221.06052	1.0
221.08028	1.3
223.04236	12.3
223.09691	1.6
225.07449	0.8
231.06525	1.0
233.05984	0.8
233.07997	5.2
234.06802	0.8
235.07500	1.3
235.09630	4.4
237.09077	1.2
239.10762	0.6
241.08424	0.8
245.08083	1.7
247.07481	0.9
249.09068	1.3
251.07071	0.8
252.07726	0.8
263.06567	1.1
263.09137	17.4
265.08514	1.5
266.09058	0.7
267.10117	2.0
275.79605	0.6
277.08594	2.0
282.08203	0.9
293.08109	0.9
295.09586	1.5
297.11166	1.4
299.09195	0.8
299.12631	0.6
307.09717	1.1
309.11075	1.3
312.09009	2.0
325.10703	2.3
327.12192	3.0
329.13855	0.9
337.10614	1.9
339.12302	0.9
351.12436	0.7
355.11722	7.4
357.13260	3.8
359.14801	1.3
367.11740	1.2
369.13223	2.9
371.14737	0.8
385.12854	4.2
387.14355	19.5
417.15466	4.6
500.36942	0.6
501.56915	0.9
547.19513	1.2
579.22119	1.1
718.39374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
53.65657	2.6
54.18440	2.7
55.01869	4.2
55.05510	20.5
57.03423	5.8
57.07069	4.4
59.51713	2.7
60.04509	2.9
61.63065	2.7
65.03933	5.6
67.05496	49.0
69.03426	10.6
69.07067	31.6
71.01347	9.4
71.04971	3.1
71.57230	5.0
71.57587	3.0
79.05486	28.9
81.03403	9.9
81.07049	72.1
83.04983	3.4
83.08615	10.2
83.78793	2.6
84.04475	5.8
84.94013	2.6
85.02895	19.7
87.00818	18.4
91.05468	44.0
93.07037	56.9
95.01337	16.0
95.04949	10.6
95.08601	100.0
97.02887	18.7
97.06515	4.1
97.10171	12.4
99.04452	4.1
99.08109	2.8
101.02410	5.3
105.01854	20.4
105.07024	78.3
106.07386	3.0
107.04937	3.5
107.08585	84.9
109.06529	7.9
109.10152	73.5
111.08077	11.8
113.02372	7.6
117.07012	11.3
119.08575	99.0
121.10146	58.5
123.00784	3.4
123.08086	4.2
123.11674	15.8
125.09592	3.8
127.03906	2.7
128.06236	3.2
129.07007	7.9
131.03444	4.0
131.08578	26.0
133.10117	67.2
135.08089	3.3
135.11671	29.0
137.13242	6.3
141.01822	45.8
143.08548	10.0
145.10106	48.0
145.11140	3.7
147.04503	2.7
147.11676	55.4
149.13248	29.6
151.11200	4.9
153.09109	3.5
155.08582	3.8
157.10112	13.7
159.02875	5.3
159.11679	29.4
161.05814	3.5
161.13261	40.6
163.11197	3.4
163.14789	31.0
169.10121	6.5
171.11725	7.9
173.09637	3.3
173.13246	28.9
175.14813	30.6
177.12787	3.9
177.16382	21.6
179.10661	5.4
183.11638	6.3
185.13246	7.2
187.14799	18.9
189.16371	63.4
191.17966	12.1
197.13239	5.6
199.14795	13.5
201.16362	80.7
203.17943	74.5
205.15897	5.9
205.19499	3.3
207.17487	9.9
209.13255	4.1
213.16362	14.5
215.17949	39.4
217.03471	8.6
217.19577	8.2
219.17551	4.1
221.18996	7.1
225.16371	11.4
227.17964	8.0
229.19504	11.9
235.16919	14.5
236.16429	4.4
237.16460	3.4
239.17938	7.0
241.19446	6.2
243.21114	6.9
245.02936	10.5
247.16902	12.3
249.18550	3.8
253.19516	6.0
255.21132	3.9
256.15460	16.0
257.19037	4.3
261.18521	10.6
263.03995	10.1
267.20959	6.6
269.22559	4.3
275.20050	14.6
281.22705	7.4
283.24136	6.2
287.19949	2.9
315.93930	2.8
327.23157	4.0
329.24567	4.9
333.13281	8.8
349.23593	3.9
355.26477	5.5
391.33536	24.3
409.34683	22.2
425.33972	4.1
437.34085	39.5
699.36255	4.2
717.38257	6.6
718.35687	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	717.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01859	1.5
55.05507	14.9
55.94323	1.4
57.03426	2.6
57.07064	2.6
58.94469	1.3
65.03925	1.7
67.05500	31.5
68.99788	1.9
69.03416	6.3
69.07060	19.6
69.68844	1.3
71.01356	14.7
71.04996	1.6
71.57156	1.9
74.06056	1.3
76.62693	1.4
79.05485	25.5
81.03402	3.0
81.07050	58.8
83.08603	11.9
85.02901	21.4
87.00819	12.4
91.05470	28.0
93.07034	44.6
95.01339	4.5
95.04984	5.1
95.08604	84.8
97.02872	17.9
97.10168	5.7
99.08060	1.6
105.01868	12.7
105.07024	61.2
107.08586	60.3
107.73058	1.3
109.06511	4.3
109.10149	57.5
111.08089	13.5
111.11728	2.6
113.02407	6.8
113.03087	1.6
115.05449	2.0
117.06996	9.3
119.08572	100.0
121.10135	37.3
123.00777	3.9
123.11690	12.6
125.09615	1.9
128.06334	1.4
129.07010	4.3
130.07787	2.0
131.03392	5.8
131.08557	21.4
133.10123	59.2
135.11691	25.9
137.13260	4.3
139.11169	4.3
141.01822	25.9
143.08549	7.6
145.04906	1.5
145.10110	40.3
147.11682	47.3
148.57018	1.4
149.09624	1.4
149.13254	30.2
151.11267	1.7
153.09109	4.1
153.12680	1.8
155.08534	4.0
157.10129	9.8
157.55283	1.5
158.10930	1.8
159.02917	4.7
159.11673	27.6
161.13240	30.1
163.14818	28.7
165.12779	1.3
169.10121	1.9
171.11682	8.6
173.13258	19.2
175.14828	26.5
177.03967	1.6
177.16383	18.9
183.11707	4.1
185.13260	5.5
187.14816	24.6
189.16380	58.3
191.17952	8.4
193.15787	1.6
195.17336	1.4
197.13289	2.3
199.14914	8.4
201.16360	74.7
203.17949	61.4
205.15913	4.9
205.19501	3.3
207.17418	7.6
211.14935	1.6
213.16367	15.3
215.17947	31.4
217.03450	9.2
217.15858	3.1
217.19559	6.3
219.13960	1.8
219.17445	5.6
221.15404	2.3
221.19051	8.1
225.16389	4.4
227.17903	5.4
229.19527	5.8
231.17383	1.9
233.15265	1.6
235.16869	10.6
237.16273	1.9
239.17896	3.0
241.19589	5.7
243.21094	6.7
245.02829	8.1
247.16910	16.2
249.18506	6.2
253.19566	4.1
255.21117	7.1
256.15436	2.3
259.16907	3.3
261.18463	11.8
261.76196	1.8
263.04001	7.5
267.21042	4.7
269.22653	3.1
273.18399	2.0
275.20129	3.8
279.21167	2.7
281.22614	5.4
283.24106	5.2
285.18640	3.3
289.21582	1.9
299.20102	2.6
315.23056	2.8
325.71332	1.5
327.23016	3.1
329.24756	3.5
335.27051	1.7
351.30255	3.6
389.50766	1.6
391.33469	16.4
397.30942	4.6
409.34641	22.0
410.30170	1.5
425.34198	4.1
435.32816	1.9
437.34149	37.2
438.34534	1.7
455.34921	5.8
498.63388	1.4
717.38000	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	716.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01874	5.8
55.05505	21.2
57.03437	9.7
59.04996	5.5
61.02918	2.3
65.03924	2.8
67.05501	93.4
69.03427	8.6
69.07063	25.0
69.22701	1.2
69.99027	5.6
71.04977	4.5
79.05489	19.5
81.03413	7.6
81.07056	28.1
83.04976	4.8
83.08624	10.3
85.02901	3.2
85.06544	2.6
89.52981	1.1
91.03951	2.2
91.05471	20.0
93.07037	18.3
95.04972	8.9
95.08602	12.6
97.02888	9.7
97.06522	3.5
97.10172	10.4
101.19720	1.1
105.07014	10.7
107.04962	6.4
107.08591	12.3
109.06516	2.7
109.10147	70.8
111.04362	1.3
111.08077	4.6
117.07019	4.8
119.04904	1.2
119.08583	15.8
121.06464	3.5
121.10146	5.0
123.08051	4.1
123.11674	1.7
125.09635	6.6
129.07024	2.2
130.07782	1.4
131.08542	6.9
133.06503	3.3
133.10141	8.6
135.08054	3.4
135.11676	2.9
136.06166	2.6
137.09599	3.9
143.08568	2.6
145.10109	4.7
147.08063	4.6
147.11647	2.2
149.09648	1.6
151.11208	2.6
154.82135	1.1
155.10661	2.6
157.10107	3.1
159.11681	3.3
161.09576	2.5
161.82149	1.0
163.11188	1.3
165.09088	2.1
171.11662	1.8
172.03638	1.2
173.11740	19.3
175.11200	1.7
189.11169	2.9
193.12094	1.5
205.12239	1.6
223.13272	16.6
227.12741	4.7
229.14342	71.3
230.14946	2.0
245.19221	1.7
248.57228	1.1
249.14787	3.4
253.14369	2.4
273.18475	13.6
278.37259	1.0
291.19525	100.0
292.19791	3.7
322.90994	1.1
347.22067	2.4
365.23184	40.5
366.23727	1.2
421.25790	1.8
439.26831	3.2
489.85736	1.4
501.31604	1.7
519.33142	92.6
520.33307	4.0
698.44238	1.5
716.32251	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	715.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44712	0.3
60.02440	0.3
67.05508	0.7
69.03403	0.4
69.07086	0.3
69.50854	1.7
69.51273	1.1
81.03362	0.4
81.07043	0.8
81.09283	0.3
83.01105	0.8
91.05496	0.5
93.07032	0.6
95.01131	0.6
96.34991	0.4
97.02802	0.5
98.21551	0.7
107.08598	0.4
109.10120	0.4
110.19346	0.4
113.36183	0.4
119.08647	0.8
122.34982	0.3
133.10129	0.5
137.05962	0.7
140.22456	0.3
147.04414	0.4
157.04768	0.4
161.02962	0.4
169.04819	0.6
185.04219	2.2
201.03757	2.1
203.05247	2.6
215.17599	0.3
257.06372	1.0
259.07880	2.9
275.07443	0.4
285.09918	0.4
301.09079	0.4
305.07971	0.4
317.08438	0.8
317.19833	0.8
319.10123	1.4
329.08505	0.7
331.10022	2.4
345.11615	0.4
347.09454	4.4
359.12949	0.6
363.08841	2.1
365.10547	4.0
365.95752	0.4
373.15033	0.5
391.24527	0.6
401.17743	0.6
415.19470	1.1
421.13086	2.7
437.12897	0.5
455.22583	0.6
483.22034	2.0
493.15222	4.0
494.16095	0.5
507.16794	1.3
521.18488	0.9
535.20038	0.9
553.29785	11.7
563.22632	0.6
577.24579	1.6
590.74243	0.4
596.66766	0.4
617.27399	1.0
645.26898	0.8
715.35046	100.0
716.35370	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	715.3295
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
64.35979	0.6
67.05488	1.0
71.19356	1.7
73.07018	0.6
79.05505	0.7
81.07070	1.2
91.05454	1.0
93.07008	0.6
95.08655	0.6
100.84898	0.6
121.10197	0.5
125.20058	0.6
147.02174	0.5
168.12167	0.5
493.84503	0.5
715.32983	100.0
716.33319	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	715.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58654	0.4
67.05511	0.9
69.07069	0.8
71.57487	0.7
81.07069	0.5
85.02946	0.5
91.05508	0.9
93.07039	0.8
102.64728	0.5
105.07010	0.9
107.08604	0.5
109.10140	0.7
116.70735	0.5
119.08562	0.6
135.88452	0.5
136.06259	0.6
181.85887	0.5
203.10268	0.6
321.04987	0.6
378.45612	0.5
715.32977	100.0
716.33496	4.7
741.29974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97643	0.7
58.72719	0.7
63.63613	0.7
67.05511	2.0
71.57047	1.0
79.05481	1.8
81.03403	0.8
81.07050	2.0
83.08580	0.7
91.05450	1.6
91.66144	0.7
93.07011	1.3
95.08621	0.9
104.87731	0.8
105.07076	1.8
107.08605	1.9
109.10153	1.4
117.07023	0.8
119.08588	1.2
121.10129	1.1
128.93498	0.7
131.08546	1.6
137.05995	2.3
143.53050	0.7
147.04393	1.4
185.04240	2.5
190.08818	0.7
201.03763	1.8
203.05280	1.5
259.08044	0.9
275.07269	1.1
317.08359	0.9
331.10098	2.7
347.09540	3.3
363.09113	3.3
391.24506	0.9
415.20142	0.9
437.12811	1.7
445.22589	0.9
458.39026	0.8
483.21741	1.9
493.15329	4.8
507.17328	1.2
535.20337	0.9
553.29749	14.3
563.22705	1.3
577.24408	2.7
715.35046	100.0
716.35284	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	715.2746
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
50.13979	2.2
50.65696	2.1
52.09996	2.0
55.01854	1.8
55.05506	2.4
67.05499	3.3
69.03426	3.2
69.07053	2.8
71.56828	1.8
79.05493	5.1
79.69169	1.8
81.03421	7.4
81.07068	7.0
85.02916	2.6
91.05485	8.0
93.07042	4.1
94.04192	3.5
95.08607	3.2
97.02941	3.7
102.77328	2.4
105.07023	5.3
107.04958	2.4
107.08581	3.0
109.06550	3.4
115.05495	4.4
117.07034	3.9
119.04976	1.9
121.06467	2.4
122.03651	7.4
128.06288	2.3
129.07024	6.0
131.04936	5.7
131.08627	2.4
137.05975	100.0
143.04961	5.8
143.08578	2.2
145.06456	2.5
151.03903	4.4
157.06538	6.4
159.07979	1.9
160.05203	5.7
175.07559	40.3
187.07571	16.2
189.09140	7.7
205.08713	7.7
217.08659	3.0
219.13795	2.2
226.06314	2.6
235.09639	3.4
241.08611	4.1
269.08234	4.6
270.08966	4.4
278.32080	1.9
309.11334	2.3
321.11346	3.3
331.09851	3.4
347.09537	3.5
410.12143	2.0
445.17111	2.3
461.15472	3.9
493.15515	3.4
496.90695	2.2
505.12637	2.5
538.16333	4.3
553.29938	7.7
573.20648	2.2
584.48743	2.1
608.20941	5.1
625.31952	4.0
626.21796	10.0
661.24603	3.5
679.24896	4.1
715.35168	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
57.03433	1.1
57.18494	0.4
58.75463	0.4
61.02927	4.3
67.05502	3.9
69.03422	2.3
69.07082	0.8
69.45474	1.9
69.45903	2.6
71.01353	1.0
71.04991	3.7
73.02912	3.0
79.05499	2.2
81.03431	1.8
81.07058	6.6
83.08639	0.7
85.02897	5.1
91.03968	2.2
91.05478	3.3
93.06557	0.5
93.07030	2.7
95.04975	0.9
95.08609	2.6
97.02885	4.6
97.06551	0.6
99.04463	0.7
101.02392	2.2
105.07037	2.8
107.08587	2.9
109.02892	0.9
109.06481	0.9
109.10190	1.5
111.08125	0.7
117.07010	0.9
119.08607	1.5
121.10147	1.5
123.08113	0.5
123.11731	2.3
127.03951	1.4
133.10158	2.6
135.11728	0.7
137.05956	0.9
145.04974	1.8
145.10114	0.6
147.11636	3.4
149.13155	0.7
151.11197	0.9
159.11705	1.1
163.99872	0.5
165.12738	1.3
183.13858	0.9
189.16280	0.6
203.05452	0.6
243.08473	1.6
251.12585	1.3
267.15811	0.9
423.36142	0.8
469.20468	7.8
485.23639	5.7
669.38153	0.8
713.37164	100.0
714.37823	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	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	29.7
57.03434	17.9
61.02928	20.2
67.05501	59.7
69.03445	11.9
69.07085	14.6
71.04979	12.7
71.57204	11.3
73.02897	12.1
73.17777	7.5
79.05499	68.4
81.03411	14.0
81.07057	71.2
83.04969	10.7
83.08602	10.1
84.83636	8.6
85.02909	36.2
85.06533	10.2
86.09711	9.3
91.03977	13.5
91.05474	45.0
93.07057	67.9
93.75123	7.2
95.04945	19.5
95.08598	48.3
97.06505	13.7
104.45221	9.0
105.07050	53.1
107.04891	9.0
107.08595	37.5
109.10152	27.1
117.07037	13.6
119.08575	41.2
121.06499	14.1
121.10149	44.3
123.11735	8.7
125.09698	8.1
129.07013	12.5
131.08553	24.5
133.10121	31.8
135.11702	34.7
143.08501	17.6
145.10092	15.4
145.78442	10.4
147.11685	30.4
149.13243	31.8
157.10048	15.8
159.11659	19.2
161.13237	17.5
163.11168	11.6
173.13254	12.5
184.07310	13.2
185.13223	8.5
198.08583	8.7
229.14378	16.4
241.19464	24.1
259.20425	40.7
267.15915	18.9
267.88406	8.9
269.17545	32.2
283.15585	9.2
285.16980	16.9
333.24182	12.1
333.64185	9.0
351.25235	100.0
365.15323	11.5
423.27484	10.5
495.29623	24.6
513.30603	15.0
719.75464	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	708.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29334	0.8
53.03930	2.2
55.01860	1.3
55.05507	11.1
57.03436	5.7
57.07056	1.9
59.04986	1.2
59.68404	0.8
61.02917	2.3
65.03929	2.1
67.05501	47.7
69.03413	2.3
69.07062	13.4
71.04984	16.1
71.57780	1.1
71.58184	1.2
78.79070	1.0
79.05486	17.4
81.03410	2.4
81.07050	100.0
82.07387	1.6
83.04977	5.3
83.08622	7.2
85.02890	5.6
85.06544	9.6
85.44838	1.0
87.04467	1.0
91.05470	23.6
93.07036	18.3
95.01287	1.6
95.04965	2.1
95.08597	14.9
97.02886	2.7
97.06528	6.6
97.10146	2.4
99.08083	3.4
105.07021	27.6
107.08583	14.0
109.06487	4.9
109.10134	6.0
111.08070	1.7
115.81354	0.9
117.06995	2.2
119.08572	16.9
120.61290	0.9
121.10139	16.6
123.08054	2.8
123.11691	24.4
125.09648	1.4
127.03865	1.3
127.07545	3.3
131.08557	3.7
133.10106	13.2
135.11668	2.3
137.09659	0.9
137.13258	2.0
141.01811	4.1
143.42537	0.9
147.11674	47.2
149.09494	1.1
149.13223	5.0
151.11140	6.0
159.02930	1.9
159.11667	4.5
165.12741	14.1
175.11220	1.1
177.12747	3.4
179.14293	1.0
183.13818	3.4
184.07356	1.3
187.13281	4.4
195.13762	2.1
201.14853	1.1
213.14919	1.3
225.14828	1.7
229.14285	3.5
243.15912	2.3
257.17474	1.6
267.15887	47.5
269.17441	12.8
285.16907	18.7
301.20004	12.8
307.53564	0.9
393.16565	0.9
435.27072	1.1
453.28421	38.5
467.29861	10.6
479.29993	89.8
480.30109	2.6
511.32700	26.7
562.30402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
53.90273	2.3
55.01872	5.2
55.05510	10.4
56.08207	2.0
57.03445	3.7
61.02925	5.1
61.13324	2.2
65.65610	2.2
66.52793	2.9
67.05505	22.8
69.03447	5.0
69.07082	14.7
71.01366	2.7
71.05003	3.8
71.57379	5.2
73.22962	2.2
79.05487	17.2
81.03422	13.9
81.07055	32.6
83.05000	4.6
83.08607	6.7
84.24143	2.7
85.02913	6.9
85.06580	2.4
91.05483	23.0
93.07032	18.2
95.01347	3.9
95.04975	7.8
95.08614	16.5
97.02883	6.9
97.06538	10.2
105.07026	29.9
107.04956	8.9
107.08601	10.0
109.10191	11.4
117.07015	8.3
119.08585	14.6
121.06527	3.8
121.10166	8.1
123.08103	4.1
123.94896	2.4
125.09647	2.9
129.05502	3.1
129.06985	3.2
131.08583	10.4
133.10172	14.0
135.11671	6.5
145.10136	7.6
147.11684	12.0
149.09552	2.8
157.10101	3.8
159.11676	4.2
163.11240	6.0
165.09196	5.4
165.12837	3.3
173.11732	3.0
173.13145	2.6
175.11234	5.3
179.14339	2.8
184.85280	2.4
187.11198	3.3
193.12273	5.8
211.13261	4.7
229.14429	8.6
267.15817	11.9
275.20132	16.2
285.16928	5.9
292.19299	2.8
301.16623	2.7
349.23718	100.0
350.46783	2.3
421.25909	3.8
453.28574	3.0
511.28629	14.7
708.41846	7.2
709.33820	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	708.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01876	13.2
55.05513	16.5
57.03432	15.3
61.02915	7.0
67.05502	67.2
69.03422	5.1
69.07063	22.0
71.04974	7.6
71.56541	4.0
73.02914	3.9
77.21952	2.5
79.05489	56.7
81.03396	19.8
81.07051	100.0
83.04980	29.9
83.08616	8.0
85.02896	10.2
85.06535	11.1
87.75954	2.7
91.03993	3.5
91.05470	52.4
91.06008	3.7
93.07042	48.0
95.04951	23.9
95.08603	32.2
97.02892	4.8
97.06516	22.7
97.10171	3.3
105.07021	43.4
105.76249	2.7
107.04949	38.2
107.08588	43.7
109.06508	9.6
109.10170	16.5
111.04431	26.6
111.08071	10.4
113.06025	3.0
117.07029	17.2
119.08582	41.4
121.06500	10.8
121.10138	55.6
123.08076	9.2
123.11684	24.3
125.05982	4.1
127.03878	3.6
127.07524	2.8
128.06204	2.7
129.06998	4.0
131.04918	4.4
131.08540	14.3
133.10130	7.6
135.08083	3.7
135.11685	37.3
145.06487	8.7
145.10132	45.6
147.08000	6.0
147.11696	54.4
149.09644	6.9
153.12761	13.1
155.08571	10.8
157.10127	5.0
161.09637	4.3
163.11171	58.0
165.12740	22.0
173.09581	24.7
175.11272	2.9
181.12193	21.0
184.07401	3.1
191.10710	19.0
193.12270	6.0
209.11758	8.2
211.13416	3.4
227.12778	20.1
229.14369	7.3
236.33478	2.9
248.96246	2.8
257.18631	3.0
265.14328	60.9
267.15909	86.9
275.20059	12.2
276.26337	3.1
280.07108	2.6
283.15381	81.0
285.16968	54.9
301.16434	90.7
349.23694	50.8
397.62408	2.9
408.02985	3.8
421.25928	3.3
447.27463	5.6
457.25610	5.7
475.26782	31.6
493.27954	51.0
511.28983	95.5
653.48022	3.4
708.41992	6.1
722.74585	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79450	2.9
53.03938	7.9
55.01871	3.6
55.05509	29.3
57.03423	9.9
65.03937	3.4
67.05499	86.9
69.03407	13.2
69.07066	20.2
69.40411	12.4
69.40842	17.2
71.04975	9.5
79.05492	59.9
81.03054	3.0
81.03417	34.0
81.06585	5.8
81.07051	100.0
83.04959	9.6
83.08623	9.7
85.02895	10.9
85.06522	4.6
87.04454	7.1
91.05477	52.8
93.07039	63.2
95.04961	14.4
95.08601	50.3
97.02875	8.8
97.06500	9.2
97.10157	4.4
99.04416	6.6
105.07019	46.8
106.64703	3.3
107.04920	3.8
107.08590	36.2
109.02861	12.6
109.06509	8.9
109.10181	18.0
111.04465	5.3
111.08067	6.6
117.07002	9.0
119.08577	37.1
121.06459	4.6
121.10136	37.5
123.08092	6.0
123.11707	15.0
125.09644	3.8
127.03903	13.2
129.05402	4.5
129.06999	6.6
131.08554	17.8
133.10126	19.3
135.11710	20.4
137.09569	2.9
141.07001	4.0
145.04988	4.0
145.10100	11.7
147.11691	57.5
149.13261	8.8
152.05325	2.7
152.97058	3.1
157.10164	6.7
159.11705	9.3
161.13213	5.9
163.11099	4.6
165.12727	30.4
173.13232	9.6
175.11183	4.4
175.14812	4.0
179.14243	3.5
183.06544	8.8
183.13780	4.9
187.14638	3.6
193.12305	7.5
197.13258	3.0
201.07541	3.5
211.13225	8.4
219.46878	4.4
229.14279	20.0
243.21158	4.9
261.22131	18.0
263.06778	3.0
267.15918	16.5
285.16965	38.6
313.16336	5.3
313.21857	2.9
335.25726	3.9
372.06024	3.2
397.88528	3.4
405.26584	3.5
452.01743	3.6
545.37891	4.8
588.07684	3.6
608.25916	3.5
610.26678	7.5
611.14471	3.5
689.42230	3.7
707.37323	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	707.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
67.05496	5.3
69.07078	1.4
76.14043	1.1
79.05500	2.7
81.07066	6.4
83.22507	1.0
91.05488	3.1
91.11252	1.1
93.07047	4.0
95.04951	1.9
95.08599	2.7
98.21518	3.3
105.07076	3.0
107.08597	1.4
109.02860	1.0
109.10158	1.4
111.04552	1.1
112.30817	1.1
117.07101	1.3
119.08585	2.8
120.67185	1.0
121.10196	1.0
121.86140	1.2
147.11726	1.8
159.11749	1.0
200.60835	1.1
224.83281	1.2
267.15942	1.4
287.35321	1.0
375.45914	1.0
377.80139	1.1
404.87708	1.0
473.32065	1.1
707.37598	100.0
708.37732	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	707.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43085	0.5
53.03950	1.1
55.01873	1.0
55.05510	2.2
55.80553	0.5
56.04517	0.6
57.03426	1.7
59.66665	0.6
61.02928	4.4
67.05502	9.4
69.03423	3.3
69.06712	0.5
69.07064	1.9
71.04993	0.8
71.57944	0.5
73.02913	2.9
79.05489	6.1
81.03446	2.9
81.07052	5.7
83.04983	0.6
83.08614	1.2
85.02901	5.7
85.06509	0.7
90.38574	0.6
91.03947	4.0
91.05479	5.1
93.07042	4.3
95.04986	1.5
95.08612	2.9
97.02895	4.0
97.06538	1.1
99.04455	0.9
101.02370	1.1
103.04008	0.7
105.07026	3.9
107.04929	1.0
107.08590	3.0
109.02898	0.7
109.10154	5.9
111.08123	0.5
115.03983	0.6
117.07020	1.3
119.08557	2.9
121.10149	2.2
125.09696	0.9
127.03936	1.8
129.06992	0.9
131.08577	2.1
133.10118	2.8
135.11711	1.6
140.89389	0.7
143.08545	0.6
143.73259	0.5
145.10150	0.8
147.11693	1.9
147.14009	0.5
148.27562	0.5
149.13289	1.0
157.10159	0.8
159.11742	1.0
161.13313	0.6
171.11778	0.8
173.09572	0.6
173.11891	1.2
173.13310	1.1
183.11792	0.7
185.04257	1.2
185.13367	0.9
195.10005	0.9
229.14438	0.7
243.08447	1.8
247.72475	0.6
250.12889	0.7
256.62622	0.6
259.20724	1.0
296.26639	0.6
301.09064	1.9
335.25937	0.8
373.11096	0.7
413.17780	6.7
485.20297	0.9
535.28992	7.2
609.45764	0.6
707.39740	100.0
708.39899	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	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18138	1.3
55.05492	1.7
67.05496	5.2
69.07072	1.6
71.57901	1.9
79.05506	4.9
81.03413	1.9
81.07054	9.1
87.04491	3.1
91.05503	3.8
93.07079	2.1
95.08611	3.3
105.07036	3.1
107.08572	1.9
109.10215	1.3
117.07070	1.2
119.08600	2.7
121.10151	2.0
128.62569	1.1
131.08659	1.6
133.10150	2.0
143.08621	1.4
145.10138	1.6
146.25385	1.0
147.11710	2.4
160.89261	1.2
162.29893	1.1
267.16006	1.6
535.26752	2.4
569.28931	1.4
707.37634	100.0
708.38239	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	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
57.01920	0.5
69.03405	0.8
69.90327	0.6
71.04984	1.6
71.56696	0.7
71.57061	0.7
76.56583	0.5
79.70126	0.5
81.03430	0.6
82.33025	0.4
82.99844	0.8
85.02885	2.2
89.66522	0.5
97.02883	0.8
98.97579	2.2
101.00891	2.1
114.32816	0.5
116.98625	1.1
119.01914	13.0
119.04898	0.7
127.03941	0.6
128.98566	0.6
131.01895	4.2
137.01947	1.1
137.02963	3.3
143.01886	10.2
145.03453	6.2
146.99631	1.0
147.01398	1.1
147.04324	2.6
149.02994	0.8
155.01888	5.9
157.03467	3.6
161.02954	17.2
163.04498	1.9
165.89307	0.6
167.01910	3.9
169.03426	1.7
170.99602	0.5
171.05058	2.0
173.02957	17.2
175.04530	1.6
177.00757	1.0
177.05608	0.7
179.01865	1.6
184.04510	1.6
185.02942	34.7
187.04506	4.7
189.00604	0.7
190.84306	0.6
191.03967	1.3
196.04437	0.6
197.02956	13.8
201.00674	1.1
203.04012	12.7
203.05951	0.7
205.05595	0.8
208.04529	1.3
209.02948	0.9
215.04005	10.7
219.01811	1.3
221.05070	1.6
227.04019	6.5
237.02838	1.3
239.04167	0.9
245.05070	100.0
246.05260	2.1
257.05124	4.8
261.02768	1.4
263.06104	15.5
270.03006	0.5
275.06113	8.9
283.06787	1.0
283.56845	0.8
286.07834	1.2
287.05634	0.9
293.07193	4.6
305.07193	11.1
317.07050	0.7
321.10529	0.7
335.08237	3.6
347.08487	0.8
364.59436	0.8
365.09296	38.6
366.09415	1.0
383.10452	4.9
406.11807	0.9
419.09912	1.2
425.11462	27.6
426.12097	0.6
437.11194	1.6
455.12396	1.6
598.57971	0.6
707.18750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02762	0.4
64.20366	0.5
70.08423	2.0
79.98994	0.4
82.67357	0.4
82.99845	1.1
85.02907	0.5
98.20844	0.5
101.00877	2.1
108.35668	0.5
110.45802	0.5
114.67791	0.5
119.01921	12.0
131.01917	3.6
137.02945	1.9
142.13388	0.5
143.01888	9.6
143.02902	0.8
145.03474	6.3
147.01315	0.7
152.02498	0.5
153.03952	0.5
155.01863	5.8
157.03473	3.9
161.02960	19.4
163.04510	1.6
167.01883	3.2
169.03444	2.2
171.05005	2.2
173.02957	16.9
175.04497	1.8
179.01813	2.6
181.03456	0.7
184.04607	0.6
185.02945	31.8
186.03154	1.1
187.04518	3.6
191.04106	0.6
195.72012	0.5
196.04524	0.5
197.02953	11.9
199.04556	0.5
203.04007	11.7
208.04517	1.0
209.03036	1.3
215.03999	9.1
220.04558	0.5
221.05013	1.3
227.04001	7.3
239.03847	0.6
245.05066	100.0
246.05289	2.3
257.05087	4.8
263.06128	14.1
263.91745	0.6
264.06238	0.6
275.06125	11.9
284.06519	0.5
286.07919	0.8
293.07034	3.3
305.07181	11.3
322.95352	2.1
335.08197	3.7
347.08072	0.8
364.96371	9.8
365.09290	49.0
366.09750	1.2
383.10333	6.4
401.11557	0.8
406.11728	1.1
407.10236	1.1
425.11392	30.9
426.11710	1.4
437.11389	1.6
455.12607	1.5
707.16821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.0
53.03957	11.7
55.01857	5.2
55.05266	2.2
55.05512	25.2
57.03426	4.1
57.07059	2.5
59.04992	2.4
59.56352	1.7
65.03932	5.0
67.05502	86.8
69.03430	23.4
69.07066	17.2
71.04990	59.3
71.19835	3.4
79.05491	55.0
81.03418	41.9
81.07051	100.0
83.04987	13.0
83.08623	10.6
85.02889	6.3
85.06531	8.3
87.04462	1.8
91.05482	63.9
93.07043	58.1
95.04950	18.3
95.08603	36.9
97.02911	10.5
97.06519	10.5
97.10168	4.1
99.04447	5.7
99.08042	2.1
105.04514	2.4
105.07021	31.2
107.04950	3.8
107.08588	34.7
109.02876	6.1
109.06522	6.4
109.10142	18.5
111.04440	6.5
111.08039	3.3
115.95677	2.0
117.07018	13.3
119.08567	16.4
121.06458	3.2
121.10144	21.6
123.04520	2.1
123.08067	2.2
123.11716	14.5
125.05995	2.0
125.09547	2.2
127.03926	8.6
128.06207	2.0
129.05472	2.3
129.06990	5.8
131.08563	20.1
133.10126	30.6
135.08026	2.1
135.11674	11.7
142.07838	1.7
143.08554	5.2
145.10120	9.5
147.11676	11.1
149.09637	2.9
149.13277	12.4
151.11174	13.5
153.12744	1.7
155.08508	2.8
157.10124	4.8
159.08069	3.4
159.11681	17.5
161.09561	3.7
161.13240	6.2
163.11192	2.8
165.12807	3.0
169.10133	2.0
169.12308	2.7
171.11694	3.4
173.04491	15.0
173.09587	2.1
173.13219	5.1
175.14888	2.5
177.12758	6.1
177.21153	1.8
183.11754	1.7
183.13811	9.0
185.13229	3.9
187.13274	16.2
187.14745	3.0
193.12308	2.3
195.12183	1.5
195.13777	9.1
197.89111	1.8
201.14838	4.1
213.12753	1.8
233.15268	2.2
257.17444	6.4
259.20438	2.4
261.22052	3.6
267.16019	1.9
269.17401	3.1
297.22635	1.7
301.21649	1.9
317.24841	2.2
320.27393	1.7
321.16940	2.1
335.25760	4.6
339.17865	5.9
341.24432	2.1
349.27405	5.1
351.22992	3.6
369.24203	6.8
387.25204	1.9
395.20404	2.4
427.22977	2.0
443.27960	2.3
461.28665	4.8
490.03952	2.1
503.37317	2.6
515.12378	1.8
517.38904	6.5
529.38977	2.6
561.40961	2.4
570.14783	1.8
589.66296	1.8
629.40759	2.0
655.41882	2.7
673.43237	8.4
705.33148	2.1
705.45679	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	705.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03946	11.7
55.01868	4.9
55.05508	21.5
57.03437	5.9
57.07053	2.3
59.04988	2.0
61.02941	2.2
65.03938	5.3
65.45675	1.3
66.19928	1.1
67.05502	85.7
69.03425	23.0
69.07066	15.5
71.01330	1.4
71.04990	55.3
73.02918	1.6
79.05489	65.0
81.03417	51.6
81.07053	100.0
83.04979	12.3
83.08617	10.8
85.02895	7.5
85.06531	8.5
87.04449	2.7
91.05473	59.2
92.15780	1.1
93.07045	60.2
94.07394	1.4
95.04964	16.4
95.08604	36.7
97.02882	16.4
97.06506	7.6
97.10173	4.9
98.20715	2.2
99.04458	8.4
99.08131	2.4
103.05472	2.1
105.04482	1.8
105.07023	34.0
107.04971	4.2
107.08590	31.8
107.09299	1.8
109.02872	12.8
109.06520	5.2
109.10162	14.6
111.04437	9.8
111.08125	4.4
113.02386	1.1
117.07005	11.8
117.07604	1.0
117.91479	1.3
119.08582	18.2
121.06520	3.8
121.10138	20.4
123.08065	2.9
123.11697	12.7
125.09637	2.5
126.52299	1.1
127.03939	9.1
128.06201	1.2
129.05461	2.2
129.07016	4.9
131.08572	18.5
133.06512	1.7
133.10121	26.1
135.08061	2.3
135.11693	15.6
143.08591	4.3
145.06502	1.3
145.10118	10.1
147.11691	12.6
149.09673	1.6
149.13234	13.5
151.11179	9.8
153.12749	1.9
155.08533	2.3
157.10110	6.2
159.08070	1.8
159.11702	17.7
161.09627	2.1
161.13266	6.4
163.11191	1.3
165.12816	2.8
169.10173	3.4
169.12331	2.0
171.06570	1.5
171.07996	1.7
171.11676	3.0
173.04442	12.8
173.09625	1.5
173.13342	3.4
175.11229	3.1
175.14845	1.8
177.12691	8.9
181.10176	1.3
181.12285	1.3
183.11728	2.6
183.13768	8.6
185.13261	2.8
187.13301	14.6
187.14835	1.8
189.12769	1.3
191.14445	1.7
193.12321	4.6
195.12076	1.5
195.13776	7.1
197.13315	1.3
197.15324	1.2
199.14868	2.0
201.14885	5.6
203.14326	1.1
209.13374	1.4
211.13361	3.7
213.14816	2.0
217.82181	1.2
227.12669	3.0
233.15349	1.4
241.19620	1.4
249.14983	1.3
257.17496	3.3
259.20764	3.3
261.22208	5.3
267.15909	1.4
269.17465	2.8
275.20102	1.2
277.21686	1.9
292.10028	1.2
299.23764	1.9
321.17020	2.5
333.24438	2.1
335.25903	4.8
339.18024	7.9
349.27271	6.1
351.23337	2.7
369.24408	3.6
383.50583	1.2
387.25223	2.7
395.20712	2.5
406.32803	1.3
427.23477	3.6
443.27814	2.3
455.34973	1.4
461.29034	3.3
481.21954	1.2
501.39050	1.3
503.37335	3.6
511.85620	1.3
517.38885	9.7
525.35913	2.1
529.39172	2.8
543.36792	11.4
561.41449	3.2
608.26471	1.6
655.42401	1.9
673.42932	6.6
687.41187	2.3
705.45825	42.7
706.45862	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01864	6.1
55.05507	21.2
56.40216	1.7
57.03421	5.9
57.07075	3.8
60.09539	1.3
60.53474	1.3
60.98146	1.6
61.02927	11.4
65.45227	1.2
67.05502	34.7
69.03429	12.1
69.07068	9.7
70.83150	3.0
70.83482	2.0
71.04988	6.5
73.02905	5.8
79.05490	24.7
81.03410	16.7
81.07050	28.2
83.04966	5.3
83.08628	8.0
85.02887	11.4
87.04468	11.5
91.03962	3.7
91.05472	22.5
93.07040	26.4
95.04980	8.1
95.08602	17.5
96.55859	1.6
97.02889	10.5
97.03419	1.7
97.06544	7.4
97.10132	8.9
99.04461	2.0
105.07023	18.1
107.04936	5.7
107.08584	16.5
107.63424	1.3
109.02834	3.1
109.06525	3.9
109.10140	8.6
111.04443	3.7
111.08046	2.4
115.05505	1.6
117.07001	11.0
119.08586	12.0
121.06489	3.7
121.10140	6.3
123.08088	2.4
123.11723	3.5
125.09640	4.8
127.03929	3.3
128.06206	1.9
129.07005	7.5
131.08568	15.5
133.06470	1.9
133.10149	10.3
135.08049	4.0
135.11682	6.0
137.09579	2.2
141.07010	2.7
142.07686	2.1
143.08542	8.4
145.06517	1.7
145.10101	11.2
147.08014	2.8
147.11699	7.9
148.68414	1.5
149.09561	3.2
149.13309	2.9
151.11099	1.8
155.08482	3.7
157.10132	6.5
159.08026	3.7
159.11665	9.1
161.09628	3.5
161.13237	1.8
163.11134	3.5
169.10104	4.0
171.08118	2.0
171.11679	6.1
173.09636	2.6
173.13274	4.8
175.11169	2.0
177.12724	2.4
181.10097	2.1
183.11623	5.2
184.07315	2.2
185.13249	3.6
187.11266	2.8
189.11200	2.3
190.02078	1.7
193.12186	1.7
195.11676	2.1
195.13707	1.9
197.13203	2.6
199.11266	1.8
199.14757	3.0
205.98103	1.5
209.11656	2.2
221.13101	1.6
227.12781	4.2
269.17450	1.7
275.20074	8.8
277.21603	2.1
299.23654	5.6
349.23715	2.6
403.24503	1.7
413.21875	4.0
421.25900	4.7
433.31525	2.1
435.27469	2.2
451.32211	6.1
469.33459	3.4
487.34119	2.5
525.36090	9.7
543.36786	100.0
544.36877	2.3
651.39044	2.9
669.39258	2.0
687.40704	4.4
705.41803	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95477	2.5
53.03937	10.5
54.96776	2.9
55.01888	15.7
55.02102	4.3
55.05507	31.4
57.03422	12.0
57.07064	3.5
61.02916	7.2
61.16389	3.0
62.35886	2.8
65.03932	5.8
67.05502	88.2
69.03422	28.9
69.07064	29.0
69.26127	28.9
70.64308	3.0
71.04977	12.4
71.48757	3.1
73.02912	6.9
79.05487	81.0
79.24952	2.6
81.03414	50.5
81.07050	100.0
83.04968	20.9
83.08604	15.7
85.02911	15.3
85.06515	5.0
85.86983	2.6
91.03943	3.3
91.05477	69.7
93.07039	70.5
95.01291	3.4
95.04974	23.2
95.08604	47.1
97.02859	18.6
97.06536	17.8
97.10164	11.7
99.04432	6.6
101.02404	4.1
105.07026	62.1
107.04941	15.8
107.08580	49.8
109.02892	15.9
109.06523	10.4
109.10162	27.5
111.04447	5.9
111.08065	6.2
113.63507	3.2
117.06998	25.7
119.08578	36.8
121.06504	11.1
121.10139	24.0
123.04392	3.7
123.08056	7.0
123.11706	7.4
125.09632	9.4
127.03071	3.5
127.03840	14.5
129.05460	3.8
129.06984	16.0
131.08549	35.0
133.06470	7.0
133.10127	39.3
135.08046	6.8
135.11708	18.8
137.09628	8.7
139.07520	4.2
141.06929	4.2
142.07753	4.2
143.08560	17.5
145.06442	6.3
145.10104	32.3
147.08000	5.4
147.11673	21.2
149.09598	16.7
149.13243	11.7
151.11151	3.2
155.08556	10.1
157.10112	15.4
159.08002	3.6
159.11687	20.2
161.09602	9.2
161.13284	8.5
163.11160	8.3
165.12756	3.1
167.08577	5.7
169.10077	8.1
171.11687	12.9
173.04488	8.3
173.09688	4.7
173.13213	8.1
175.11261	6.4
175.14859	4.7
177.12772	5.2
181.10101	6.1
183.11671	8.9
185.13295	7.2
187.11200	3.3
189.11191	7.6
191.10695	4.7
195.11591	3.5
195.13841	5.9
197.13321	6.7
199.14838	5.9
200.99431	2.9
201.12668	2.8
205.12065	3.4
209.13321	6.2
211.14677	6.6
213.12811	3.2
215.14317	3.9
227.12807	6.3
257.18958	5.6
259.20502	4.3
267.15857	4.3
269.17432	12.8
275.20047	45.3
293.17630	3.2
293.21103	4.9
299.23688	4.6
349.23648	16.4
413.21701	7.2
433.31226	5.2
440.97162	3.6
451.32190	8.7
469.32892	8.2
515.37170	6.2
525.36108	17.4
543.36780	58.2
651.38373	3.2
687.41113	14.9
691.89063	4.2
705.41772	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	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.7
54.42541	1.9
55.01868	17.3
55.05513	35.7
57.03434	14.0
57.07068	4.5
61.02920	11.0
65.03942	6.6
67.05503	91.3
69.03424	24.0
69.07062	34.1
69.10139	1.9
69.31664	3.5
69.32066	19.4
71.01360	2.5
71.04980	12.9
73.02930	5.6
76.12001	1.9
79.05488	66.7
81.03053	1.6
81.03415	58.5
81.07053	100.0
83.04975	17.7
83.08617	13.9
85.02900	17.6
85.06548	4.6
91.03957	4.6
91.05476	67.0
93.07043	60.8
95.04967	22.9
95.08602	50.8
97.02898	22.2
97.06513	17.8
97.10165	10.1
98.21528	4.2
99.04466	7.9
99.08110	2.8
103.05486	2.2
105.07032	56.4
107.04960	16.9
107.08590	40.8
109.02876	10.2
109.06523	11.8
109.10146	23.2
111.04447	8.6
111.08092	9.8
115.05477	3.7
117.07018	24.3
119.08576	41.3
121.06507	11.6
121.10133	26.6
123.04405	3.0
123.08083	5.6
123.11716	8.1
125.09635	7.2
127.03923	10.6
128.06203	4.1
129.05501	5.5
129.06985	14.7
131.04973	2.7
131.08566	29.3
133.06471	3.9
133.10138	32.1
135.08029	10.8
135.11702	12.4
137.09599	6.8
141.06961	7.0
142.07805	3.3
143.08542	12.7
145.06490	4.5
145.10129	28.8
147.08058	5.6
147.11655	15.8
149.09587	10.6
149.13263	11.8
151.11185	6.4
153.07103	2.3
153.09007	2.1
155.08549	8.7
157.06508	2.5
157.10150	10.4
159.08083	4.5
159.11687	19.9
161.09592	6.2
161.13255	8.8
163.11172	8.6
163.86974	2.4
165.09203	2.2
165.12804	5.4
167.08617	4.2
169.10144	11.1
171.07993	4.6
171.11658	13.4
173.04480	8.6
173.09636	4.9
173.11909	2.6
173.13275	9.7
175.11208	3.9
177.12724	6.2
179.08473	3.3
181.10155	3.6
183.11673	7.9
185.13327	6.4
187.11188	4.8
187.14882	3.2
189.11224	3.4
189.12788	3.9
193.10129	2.4
195.11771	6.8
195.13828	7.1
197.13303	6.1
199.06087	3.2
199.14766	4.7
203.14458	2.6
209.13332	3.5
211.11182	2.7
211.14900	3.2
213.12866	2.3
215.10460	2.5
215.14429	3.3
215.17921	2.5
219.13817	3.1
222.54810	2.3
225.16429	2.9
227.12817	6.1
229.14299	3.8
229.19411	3.5
229.25603	2.4
233.15332	2.6
247.20586	3.1
251.37682	2.5
257.18997	6.1
267.15961	3.9
269.17392	14.2
273.18521	3.0
275.20053	44.6
293.21201	4.6
297.22220	3.0
301.21588	2.3
339.17960	5.0
349.23770	11.9
413.21558	7.3
433.30859	5.4
441.34445	2.5
451.31900	6.6
469.33173	6.0
501.37323	2.6
515.37207	4.3
523.95074	2.3
525.35791	19.8
533.37982	2.3
543.36786	68.9
613.37231	2.4
651.39441	4.0
687.41101	14.7
705.41974	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	703.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88757	1.0
55.01873	1.2
55.05497	2.7
57.03432	1.3
57.07067	1.7
60.84993	0.9
62.67201	0.9
67.05510	5.5
68.75902	0.9
69.07065	2.7
71.08642	1.3
71.58510	1.3
79.05498	3.3
81.07053	5.8
83.04999	1.2
83.08620	2.0
89.06036	2.2
91.05474	5.0
93.07053	4.0
95.08614	2.9
97.10181	1.2
105.07034	2.2
107.08629	1.6
109.10158	1.9
113.00105	1.0
119.08630	1.4
121.10155	2.7
125.09705	1.3
131.08600	2.1
133.08630	2.3
133.10123	1.5
135.11760	1.2
145.10118	1.8
147.11734	2.0
183.33253	1.0
199.14798	1.3
209.20142	1.0
246.65193	1.0
335.21823	9.6
391.24722	5.2
391.29208	1.1
527.37213	1.5
703.47638	100.0
704.47961	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	703.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
55.01869	12.2
55.05511	41.0
56.63164	2.7
57.03436	15.1
57.07074	7.3
65.03938	8.9
67.05500	100.0
69.03424	11.7
69.07066	32.6
70.77959	9.2
71.04987	10.6
72.96886	2.8
78.23438	2.3
79.05013	2.6
79.05489	72.9
81.03410	17.6
81.07052	99.1
83.01326	6.6
83.04984	9.8
83.08607	20.8
85.02886	4.7
85.06557	3.5
91.05477	76.5
93.03370	3.4
93.07038	77.5
95.01334	14.2
95.04961	22.7
95.08607	67.2
95.09084	1.8
97.02900	8.1
97.06538	10.1
97.10175	10.8
103.05490	4.7
105.07025	64.0
107.04961	10.8
107.08591	44.1
109.02875	6.4
109.06509	10.6
109.10145	32.2
111.04422	4.5
111.08063	5.9
115.05466	8.7
117.07014	41.9
119.04915	2.8
119.08575	54.7
121.06476	7.8
121.10135	32.8
123.04445	7.5
123.08060	7.0
123.11702	11.0
125.02363	4.5
125.09634	8.3
127.03917	3.2
128.06227	13.1
129.07005	40.5
130.07777	4.4
131.04956	3.9
131.08554	66.3
132.09311	2.6
133.06487	6.6
133.10106	41.4
135.04439	5.1
135.08067	7.3
135.11688	18.7
137.05959	3.2
137.09581	5.3
139.11234	4.3
141.01820	4.2
141.06961	18.5
142.07805	9.3
143.08560	42.9
145.06496	8.3
145.10121	51.7
146.10793	3.5
147.04482	3.1
147.08063	7.5
147.11690	27.6
149.02327	4.0
149.06003	3.5
149.09627	7.4
149.13271	10.0
151.03947	5.4
151.11220	4.5
153.05643	3.4
153.06956	6.7
154.07791	4.9
155.08546	25.6
157.06529	6.6
157.10104	31.7
158.10934	3.5
159.08112	5.0
159.11678	38.8
161.06038	5.4
161.09662	5.3
161.13228	13.8
163.03918	3.2
163.11160	3.6
165.01790	3.1
165.05635	4.8
165.07024	8.7
165.12766	3.3
167.08580	13.4
168.09311	4.1
169.10132	28.0
171.08057	5.5
171.11696	30.7
172.12286	2.6
173.04489	4.1
173.05995	4.5
173.09624	6.2
173.13232	20.4
173.15796	2.5
175.03981	4.0
175.11142	3.3
175.14821	6.3
177.12726	4.2
179.08490	6.0
181.10181	18.1
181.11530	3.5
183.08055	5.3
183.11705	22.5
185.09601	4.8
185.13222	25.6
187.11227	5.6
187.14819	14.7
189.05464	4.0
189.09099	3.3
189.12834	4.2
193.10141	7.6
195.11708	16.3
195.13350	3.6
197.09567	5.4
197.13298	17.8
199.07507	4.2
199.11220	5.5
199.14845	14.8
201.12738	3.5
201.16484	3.6
205.10181	3.6
207.08209	3.1
207.11693	5.4
209.13216	10.9
211.11143	6.3
211.14859	12.2
213.12691	4.5
213.16457	7.1
217.12404	3.2
219.11829	3.1
221.04483	3.6
221.13268	5.7
223.14848	10.8
225.09131	4.9
225.12816	3.7
225.16498	7.4
227.17924	2.6
233.13361	3.8
235.14886	5.6
237.16368	4.7
241.12151	3.5
241.19592	3.6
243.10051	2.9
251.18430	3.6
259.20535	7.5
261.22153	9.0
269.11664	6.4
271.20468	3.0
277.10745	2.9
287.13010	5.3
289.14340	4.0
291.19620	8.5
297.11078	3.8
311.23712	3.3
315.12296	8.2
333.13309	43.6
333.24252	10.9
335.14792	3.5
335.25778	9.5
339.22849	3.4
351.14120	2.9
353.15805	3.8
353.24942	3.8
417.31589	9.0
425.18069	8.3
427.19839	4.9
435.32422	23.6
453.33499	12.6
475.31564	2.9
485.25467	3.8
491.35294	3.2
493.32703	4.1
509.36420	12.9
521.30750	4.3
527.37256	84.6
528.37988	39.7
529.38763	7.4
539.30975	3.4
541.35162	5.6
547.34509	7.6
557.31964	6.4
565.35388	6.6
567.36664	6.6
575.33630	13.7
583.36237	3.1
585.37885	4.2
593.34564	24.0
594.34790	3.3
611.35748	41.8
612.36157	3.9
629.36536	10.0
667.38550	16.1
685.39368	45.8
703.40375	83.8
704.41107	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
54.53104	2.8
55.01868	16.7
55.05260	4.8
55.05508	57.7
55.98808	2.6
56.05839	4.8
57.03433	16.0
57.07062	4.7
61.02924	3.8
61.69510	3.0
65.03932	4.8
67.05502	100.0
68.05827	6.1
69.03405	12.0
69.07065	33.7
71.04958	6.3
71.08613	2.8
73.35617	2.6
79.05487	75.0
80.05817	3.6
81.03403	8.3
81.07055	94.0
81.17798	2.8
82.07372	4.7
83.04954	11.7
83.08614	34.0
84.08952	4.1
85.02891	5.8
85.06523	6.3
91.05478	58.9
93.07040	70.3
95.01315	10.9
95.04958	16.5
95.08604	60.5
96.08930	4.5
97.02894	7.4
97.06508	9.5
97.10162	48.0
98.10492	13.2
103.05442	3.8
105.07019	46.9
106.07313	3.7
107.04929	7.2
107.08588	52.6
108.08896	5.1
109.06517	6.7
109.10157	31.5
115.05402	3.7
117.07027	33.6
119.08581	42.8
121.06492	4.2
121.10144	25.8
123.04433	4.0
123.08057	3.5
123.11711	13.9
125.09625	39.6
126.09998	13.7
127.03897	2.9
128.06216	6.4
129.06993	27.6
131.08562	52.6
133.10121	30.7
135.04417	3.3
135.08028	9.9
135.11691	21.4
137.09538	3.2
137.13193	2.9
141.01857	3.4
141.06956	12.2
142.07758	8.1
143.08539	28.3
144.09363	4.1
145.06467	6.7
145.10104	40.2
147.08008	4.8
147.11670	16.7
149.02365	3.3
149.09602	3.2
149.13231	10.5
151.03909	4.2
153.07024	4.3
155.08513	20.3
157.10115	24.6
159.11685	22.7
161.06017	5.0
161.09604	6.0
161.13258	8.9
165.06953	5.8
166.07744	5.1
167.08560	9.7
169.10143	21.1
171.08078	6.1
171.11678	20.2
173.05830	3.2
173.09688	5.7
173.13278	14.4
177.05582	2.8
179.08633	4.1
181.10083	13.3
183.08012	4.9
183.11729	16.0
185.05917	4.2
185.09677	4.2
185.13229	13.1
187.11221	4.4
187.14819	11.2
189.11211	27.0
190.11543	9.8
195.11641	9.0
197.09514	6.4
197.13278	10.3
199.07574	3.6
199.11235	4.7
199.14771	14.0
207.11629	4.3
209.13260	7.3
211.07483	3.1
211.14827	7.9
213.16472	4.7
217.12231	3.8
221.04411	5.2
221.13264	4.2
225.09283	3.2
225.16370	4.1
227.10600	4.2
227.12741	42.3
228.13130	16.7
229.64468	3.9
239.17859	3.3
241.12247	7.1
243.21016	5.1
245.13846	55.9
246.14182	30.2
255.09808	3.0
259.20267	3.7
261.22153	17.2
262.22433	8.6
265.15982	3.4
269.19290	4.0
287.12872	5.6
297.11050	5.0
315.12253	11.6
333.13290	45.3
333.24216	3.9
335.25748	30.9
336.26151	30.8
417.31238	3.5
435.32407	16.1
453.33887	6.3
471.34409	3.5
483.33887	3.4
488.34692	3.9
493.31491	3.0
505.34995	6.1
506.35712	25.4
509.36087	8.8
513.88531	3.1
527.30127	5.1
527.37311	66.3
528.37988	36.7
529.38928	7.8
557.32642	3.9
575.33380	6.2
593.34406	13.3
611.35742	15.5
621.88477	3.4
629.36432	5.2
667.38367	6.4
685.38977	19.1
703.38696	32.0
703.49341	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	703.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64817	2.6
53.03925	8.8
55.01855	13.6
55.05505	44.4
57.03444	14.4
57.07059	6.3
65.03928	6.4
67.05500	86.8
69.03420	10.1
69.06720	3.9
69.07063	42.1
71.04984	6.4
77.01848	2.5
79.05486	79.8
79.91670	2.7
81.03429	22.7
81.07053	100.0
83.01334	7.4
83.04964	11.0
83.08613	18.3
85.02886	9.1
85.06533	5.5
91.05475	76.6
93.03378	3.7
93.07037	78.2
95.01320	16.1
95.04973	26.7
95.08602	64.2
97.02870	9.2
97.06513	11.3
97.10125	8.2
99.04472	3.0
99.08076	3.4
99.40160	2.9
101.48110	2.9
103.05410	4.8
105.07021	55.3
107.04929	12.8
107.08599	39.1
109.02864	7.6
109.06498	8.9
109.10146	26.2
111.04404	5.0
111.08081	4.1
115.05437	11.0
117.07009	41.4
119.08580	50.7
121.06466	8.2
121.10146	26.8
123.04442	3.3
123.08083	3.3
123.11700	7.7
125.09592	7.9
127.03926	3.8
128.06230	10.9
129.06978	32.6
130.07719	4.3
131.08562	64.5
132.09277	3.7
133.06432	5.1
133.10138	32.3
135.08040	8.3
135.11668	16.5
137.09561	7.1
139.11177	3.2
141.01764	5.8
141.06958	13.4
142.07761	6.7
143.08553	40.8
144.09276	4.4
145.06477	8.7
145.10104	43.5
147.08012	6.4
147.10670	3.9
147.11641	21.0
149.09598	5.9
149.13214	6.9
151.03928	7.3
153.06964	3.9
154.07718	5.0
155.08553	30.7
156.09317	6.3
157.06459	6.8
157.10130	27.7
157.61105	3.8
159.08124	4.5
159.11670	27.0
161.06012	4.8
161.09624	6.6
161.13249	12.0
163.11174	4.3
165.05571	3.7
165.06924	7.6
167.08568	11.4
169.05124	4.5
169.06454	3.6
169.10126	27.3
171.08043	3.7
171.11668	32.4
173.06015	5.5
173.09618	4.4
173.13191	22.6
175.14824	3.4
177.12726	4.5
179.08525	6.8
181.10039	16.8
183.08064	3.6
183.11694	19.8
185.09599	3.6
185.13242	21.5
187.07515	3.7
187.11086	5.4
187.14806	8.4
187.76813	3.0
189.05421	6.7
189.09189	3.9
189.11172	4.1
193.10110	3.8
195.11659	11.8
195.13463	3.8
197.13260	14.8
199.11273	7.3
199.14815	12.4
207.11742	5.2
209.13226	7.7
211.14789	11.8
213.12828	5.9
215.10661	5.8
221.04427	6.5
223.11238	4.4
223.14806	9.1
225.12724	4.6
225.16422	6.7
229.41335	4.3
235.14746	4.6
237.16357	5.0
241.12122	5.4
241.19330	4.6
251.10657	3.4
259.12958	5.1
259.20560	10.7
261.22067	6.4
263.17960	4.4
273.18494	8.0
287.12643	4.8
289.10770	3.3
289.21896	3.0
291.19351	23.1
297.22144	7.4
305.13730	5.0
311.23630	3.2
315.12125	11.6
317.24777	3.3
333.13379	49.1
333.24152	8.6
335.25726	21.4
337.25195	4.1
351.14651	5.1
417.31775	7.8
425.17975	9.1
435.32520	21.4
453.33511	9.2
471.34882	4.7
491.34009	3.6
499.33530	4.0
509.36530	7.6
527.37286	70.7
528.38007	38.0
529.38647	11.7
547.34174	4.7
557.32715	5.3
565.34723	4.0
575.33392	13.8
583.35638	3.9
585.37512	4.3
593.34998	21.8
611.36053	34.9
629.36322	5.6
630.19135	3.5
649.37067	4.2
667.37805	10.4
669.75281	3.5
685.39520	34.4
687.80865	3.7
703.29071	6.3
703.40356	70.3
704.41150	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	703.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	6.8
53.03957	9.1
55.01866	15.9
55.05511	46.9
57.03435	11.8
57.07048	7.2
59.04998	4.0
59.65779	4.0
65.03917	8.0
67.05173	7.2
67.05505	100.0
69.03427	17.4
69.07069	36.3
71.04972	5.8
71.19098	10.3
79.05061	7.0
79.05492	88.2
80.95021	3.5
81.03417	27.1
81.07055	97.6
82.44012	3.7
83.04982	9.0
83.08625	22.4
85.02908	10.4
85.06536	5.8
88.96050	4.0
91.05479	70.6
93.07045	84.0
95.01326	19.9
95.04972	21.0
95.08607	69.6
97.02890	9.5
97.06551	12.3
97.10172	11.3
99.04482	3.7
105.07034	68.5
107.05001	9.6
107.08587	48.1
109.02888	10.7
109.06520	11.6
109.10162	26.9
111.08096	5.4
114.98849	3.7
115.05432	5.2
117.07019	38.8
119.04899	6.2
119.08578	45.9
121.06509	9.6
121.10146	29.7
123.08069	9.7
123.11717	11.0
125.09647	3.7
127.03853	3.7
128.06235	16.2
129.06996	45.8
131.08574	64.6
132.09296	4.7
133.06508	8.5
133.10133	41.8
135.04436	4.7
135.07953	6.7
135.11685	21.4
141.01852	4.9
141.06982	13.9
142.07780	10.8
143.08569	48.4
145.06517	11.1
145.10129	51.3
147.08133	4.2
147.11682	22.2
149.09541	5.5
149.13269	7.5
151.03946	6.4
151.11154	4.8
155.08539	31.9
156.09386	5.1
157.06409	5.8
157.10138	37.2
158.10614	4.2
159.08130	6.4
159.11685	36.2
161.06041	6.3
161.13257	14.1
163.11188	5.2
165.07155	4.9
167.08556	11.1
168.09320	3.9
169.10126	24.5
171.11668	31.6
173.06033	4.8
173.13292	18.2
175.07500	4.5
175.11139	5.1
175.14890	4.4
179.08557	5.9
181.10101	11.5
183.11671	24.5
185.13249	15.6
187.14847	9.6
189.05629	4.2
191.07071	4.5
191.08662	4.9
193.10231	7.7
193.12260	5.6
195.08017	3.9
195.11694	22.8
197.13182	18.4
199.11398	5.8
199.14825	13.8
205.10173	5.7
207.11746	4.5
209.09793	4.2
209.13315	12.7
211.14853	9.0
213.16457	6.3
215.10725	3.7
221.04424	5.0
221.13245	6.0
223.14848	9.3
225.09193	5.8
225.16394	6.2
227.17888	5.8
235.14865	7.8
239.14403	5.8
251.17975	4.1
259.20480	6.7
269.11703	6.8
273.18408	4.7
274.77512	4.1
275.19946	4.8
277.10913	4.5
291.19452	19.4
297.11209	8.6
305.91110	4.1
311.23856	5.7
315.12329	15.0
333.13235	38.7
333.24329	8.2
335.15024	4.1
335.25949	4.5
417.31161	5.8
425.17923	12.4
435.32565	25.5
452.79410	5.1
453.33600	11.2
509.36142	10.1
527.30176	6.8
527.37372	76.7
528.38098	37.7
529.39020	6.5
557.32428	5.7
559.36652	5.3
567.35895	4.0
575.33728	12.1
585.37463	4.6
593.34875	22.7
611.35712	44.0
629.36346	11.0
649.37134	4.3
667.38159	12.4
685.39380	45.5
703.40277	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03939	5.5
55.01858	4.0
55.05506	9.1
57.03441	3.2
57.07085	1.6
61.02924	3.2
65.03931	1.6
67.05493	15.2
68.99750	1.5
69.03428	17.4
69.07066	13.1
70.05968	3.1
70.06389	3.8
71.04993	2.6
73.02918	3.2
79.05487	13.1
81.03416	18.3
81.07055	31.3
83.04987	1.5
83.08617	5.7
85.02426	1.9
85.02905	25.6
85.81021	1.2
87.00819	11.7
91.05473	15.3
93.07040	29.4
95.04955	4.5
95.08601	53.3
97.02895	10.8
97.10172	6.0
98.20877	1.9
99.04448	7.3
103.05450	2.0
105.01892	7.5
105.06300	2.1
105.07018	44.1
107.08588	39.6
109.02872	14.5
109.06525	3.2
109.10155	35.7
111.04433	2.5
111.08070	16.3
117.01834	2.6
117.07017	7.1
119.08573	52.6
121.10133	33.4
123.11732	8.6
127.03912	21.9
129.01805	1.8
129.07047	2.0
131.08566	13.4
133.10121	50.7
135.08035	2.4
135.11685	16.0
137.05992	2.8
137.09561	1.4
143.08559	3.3
145.04974	6.1
145.10109	22.8
147.02850	1.9
147.11688	37.9
147.12807	2.7
148.12015	1.4
149.09583	2.3
149.13251	62.6
151.07460	1.4
153.09106	4.7
157.10126	4.1
159.02879	5.4
159.11670	19.2
161.13240	41.6
163.14824	16.2
165.09145	1.5
167.10683	2.5
171.11679	4.8
173.13280	10.9
175.14799	20.7
177.05547	1.4
177.16374	21.4
183.11693	2.8
185.13240	4.8
187.14819	18.3
189.16367	100.0
190.16751	2.6
191.17941	27.3
199.14854	6.2
201.16373	35.4
202.67722	1.8
203.17944	98.0
204.18274	2.1
205.15852	6.6
205.19554	4.8
207.17476	11.9
211.14987	1.4
213.03989	1.4
213.16415	5.9
215.17896	11.3
217.15909	4.3
217.19504	5.6
219.17456	4.1
221.19005	5.5
223.17007	1.4
225.16359	2.6
227.17789	2.9
229.19511	5.1
231.04985	5.8
231.17467	3.5
233.19118	1.9
235.16939	5.2
239.18013	1.7
241.19492	2.5
247.16797	7.4
249.18480	20.3
250.92152	1.4
261.18549	1.4
269.22760	1.2
275.20129	1.4
283.24130	2.4
287.05396	1.5
316.19296	1.4
322.68597	1.4
349.28876	2.1
351.30533	1.9
389.31857	1.7
391.33389	6.6
393.35242	2.5
397.30914	4.9
409.34677	18.1
425.34082	4.2
427.35577	2.3
435.32394	2.3
437.21655	2.3
437.34134	31.7
439.35733	2.0
455.35147	8.1
545.35748	1.6
649.36316	1.5
657.39429	2.2
667.39093	1.5
685.39471	2.1
703.39337	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73508	2.4
53.03935	2.6
55.01877	3.4
55.05509	19.2
56.96568	2.8
57.03442	15.1
57.07056	4.0
61.02917	7.0
65.03925	4.6
67.05503	100.0
68.95467	2.4
69.03416	6.3
69.07058	12.1
70.01115	9.8
70.01527	5.7
71.04971	5.9
73.02922	4.0
79.05064	3.2
79.05491	36.4
79.47200	2.2
81.03406	11.4
81.07060	44.4
83.04988	4.1
83.08615	10.1
83.64504	2.4
84.96032	11.2
85.02886	8.7
85.06532	3.7
88.07619	2.9
91.03938	3.2
91.05480	51.8
92.05824	3.7
93.07038	41.2
95.05000	4.5
95.08598	23.2
97.02875	4.4
97.06488	6.3
97.10190	2.8
105.07022	41.3
107.04925	3.3
107.08613	19.7
109.02883	4.1
109.06558	3.0
109.09462	4.8
109.10153	65.7
110.10502	3.2
111.08066	6.9
117.07022	12.2
119.08575	35.7
120.98060	2.4
121.10163	11.8
123.08089	2.6
127.03933	3.3
128.06270	4.3
129.06979	10.1
131.08588	15.7
132.08958	3.2
133.10120	32.3
135.08170	2.8
135.11668	10.6
137.09605	4.9
143.08517	8.4
145.06520	2.3
145.10118	16.0
147.11702	21.0
149.02353	7.9
149.09644	3.6
149.13229	8.3
155.08549	5.1
157.10103	7.5
159.11699	15.2
161.13301	16.8
169.10130	5.5
171.11690	10.8
173.04517	3.1
173.11728	20.5
173.13232	10.3
175.14819	5.8
183.11693	5.1
185.13194	6.9
193.04988	4.2
195.11732	3.5
197.13293	3.3
227.12737	6.9
229.14359	52.3
231.21074	4.5
241.19511	18.4
256.26309	4.7
259.20563	52.7
261.22253	2.9
284.35150	2.7
315.23172	3.7
332.19495	2.7
333.24240	33.8
360.19034	9.8
473.14249	5.1
484.33908	3.1
487.34097	14.4
505.35077	8.2
516.26825	3.1
540.37286	13.9
702.37732	18.8
703.41290	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	702.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01860	6.5
55.05510	57.8
57.03436	17.6
57.07074	11.8
60.21338	1.5
61.02911	4.2
65.03938	2.4
66.82053	1.5
67.05501	61.6
67.54039	1.7
69.03415	4.7
69.07066	18.8
71.04993	3.2
71.08621	4.4
71.58427	2.1
73.02926	2.8
79.05492	42.1
81.07057	50.5
83.04958	4.5
83.08138	2.8
83.08615	34.7
85.02906	3.4
85.06528	1.9
85.10162	1.9
87.04455	3.0
89.06030	15.9
91.05478	18.9
93.06474	2.9
93.07043	40.2
95.04968	3.8
95.08050	2.9
95.08608	34.1
95.28510	1.7
97.02882	2.2
97.10172	63.1
99.14089	1.6
105.07034	14.5
107.08593	32.9
109.10149	19.2
109.82646	1.6
111.08067	3.8
117.06989	6.1
119.08582	12.5
120.16232	1.8
121.10155	16.1
123.11688	6.5
125.09626	55.4
131.07129	1.8
131.08569	9.0
133.08601	9.7
133.10124	7.3
135.08038	6.5
135.11714	10.7
143.10664	3.0
145.10114	5.7
146.41156	1.5
147.11682	5.0
149.13275	9.3
153.09099	3.7
159.11745	3.9
161.13239	4.2
163.14824	4.0
171.10112	2.4
173.13211	5.1
177.11290	3.6
186.51894	1.7
187.14803	4.0
189.09724	1.4
189.11209	44.2
227.12782	69.6
227.20053	97.7
243.21126	6.4
245.13844	100.0
261.22150	25.3
279.23196	3.3
317.24695	5.0
335.25793	94.3
462.43060	2.0
468.37955	2.7
487.34131	6.6
505.28033	3.4
505.35233	57.9
702.46661	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07231	1.5
53.03940	3.1
54.50657	1.7
55.01864	6.6
55.05511	54.2
57.03437	15.4
57.07061	4.3
59.04984	1.9
61.02921	4.8
65.03922	2.3
67.05504	63.5
69.03419	6.3
69.07064	17.0
71.04984	1.7
71.08607	1.5
79.05493	44.7
81.03421	2.2
81.07059	53.0
83.04974	5.0
83.08620	31.2
84.08847	1.4
85.02898	3.4
85.06542	2.3
91.05479	21.9
93.07047	36.0
95.01341	1.9
95.04965	5.7
95.08055	2.4
95.08607	33.1
97.06487	2.6
97.10166	70.0
98.21610	2.9
105.07025	13.4
107.08595	38.4
109.06480	3.0
109.10151	20.5
111.08054	2.5
117.06997	7.6
119.08564	10.1
121.10143	16.0
123.08051	1.7
123.11710	5.3
125.09633	60.0
129.07004	4.0
131.08549	10.4
133.10109	8.0
135.08052	7.5
135.11679	9.7
141.06992	1.6
143.08519	4.3
143.10641	4.2
145.10114	8.3
147.11671	6.6
149.09613	2.0
149.13252	7.4
152.77718	1.4
153.09131	4.4
155.08609	1.8
157.10187	3.0
159.11728	4.6
161.13246	4.3
163.14772	2.3
169.10062	2.1
171.10141	3.4
171.11609	2.2
173.13281	4.8
183.11674	1.7
184.07256	1.8
185.13269	1.9
187.14778	2.1
189.11215	55.3
199.17877	1.5
227.12773	81.4
227.20001	3.5
230.14235	1.9
243.21106	4.6
245.13844	100.0
246.14285	1.8
261.22159	25.4
279.23196	3.1
317.24658	3.5
333.13242	3.5
335.25812	64.9
377.78854	1.5
413.30212	2.9
423.14911	1.4
435.32697	2.7
468.37726	2.1
487.34259	6.1
505.35260	39.1
523.36310	2.3
527.37250	6.5
528.38007	1.5
529.38654	2.0
593.34491	1.8
611.35596	1.8
685.39899	2.3
702.46686	3.1
703.40100	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	701.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92677	7.3
53.03939	15.5
55.01866	13.9
55.05506	31.7
57.03440	16.3
61.02924	15.8
65.03962	7.1
66.87917	6.6
67.05494	80.0
69.03433	32.7
69.07077	19.8
71.04989	13.0
71.08627	6.7
71.58076	11.9
79.05496	76.4
81.03413	50.2
81.07056	63.9
83.04983	27.5
83.08625	19.6
85.02904	26.7
85.60052	7.6
91.03938	8.1
91.05479	70.5
93.07040	76.6
95.04948	17.7
95.08611	48.9
97.02899	25.1
97.06561	8.3
97.10156	9.4
105.07034	61.7
107.04954	11.5
107.08591	43.7
109.02897	9.5
109.06525	9.9
109.10128	20.3
117.07014	37.3
119.08544	32.7
121.06474	10.5
121.10159	23.9
123.08128	7.7
127.03873	16.8
128.06221	9.5
129.07016	24.2
131.08580	36.5
133.10155	29.9
135.11707	9.6
141.06924	12.5
143.08553	31.0
145.10106	35.3
147.11664	23.0
155.08527	23.3
157.10129	23.5
159.11702	21.7
161.13341	11.6
167.08592	16.1
169.10138	24.6
171.11676	30.6
173.04500	16.9
173.13228	16.0
181.10178	19.7
183.11697	22.0
184.08844	6.5
185.13321	10.6
195.11784	14.1
197.13280	14.2
199.14836	7.6
201.27565	6.8
209.13245	16.2
221.13379	8.9
223.14883	12.3
235.14996	7.5
259.20575	8.7
267.29718	7.3
279.16165	8.6
281.17337	11.3
447.32358	19.2
470.41684	8.6
535.22864	7.7
539.37238	100.0
683.42523	9.7
701.41229	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92677	7.3
53.03939	15.5
55.01866	13.9
55.05506	31.7
57.03440	16.3
61.02924	15.8
65.03962	7.1
66.87917	6.6
67.05494	80.0
69.03433	32.7
69.07077	19.8
71.04989	13.0
71.08627	6.7
71.58076	11.9
79.05496	76.4
81.03413	50.2
81.07056	63.9
83.04983	27.5
83.08625	19.6
85.02904	26.7
85.60052	7.6
91.03938	8.1
91.05479	70.5
93.07040	76.6
95.04948	17.7
95.08611	48.9
97.02899	25.1
97.06561	8.3
97.10156	9.4
105.07034	61.7
107.04954	11.5
107.08591	43.7
109.02897	9.5
109.06525	9.9
109.10128	20.3
117.07014	37.3
119.08544	32.7
121.06474	10.5
121.10159	23.9
123.08128	7.7
127.03873	16.8
128.06221	9.5
129.07016	24.2
131.08580	36.5
133.10155	29.9
135.11707	9.6
141.06924	12.5
143.08553	31.0
145.10106	35.3
147.11664	23.0
155.08527	23.3
157.10129	23.5
159.11702	21.7
161.13341	11.6
167.08592	16.1
169.10138	24.6
171.11676	30.6
173.04500	16.9
173.13228	16.0
181.10178	19.7
183.11697	22.0
184.08844	6.5
185.13321	10.6
195.11784	14.1
197.13280	14.2
199.14836	7.6
201.27565	6.8
209.13245	16.2
221.13379	8.9
223.14883	12.3
235.14996	7.5
259.20575	8.7
267.29718	7.3
279.16165	8.6
281.17337	11.3
447.32358	19.2
470.41684	8.6
535.22864	7.7
539.37238	100.0
683.42523	9.7
701.41229	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05682	3.1
89.95698	0.6
90.13732	0.6
90.41727	0.7
97.97050	0.7
138.43352	0.7
149.13742	0.8
153.28780	0.7
162.89531	0.7
203.05267	2.0
211.44125	0.7
259.07971	1.9
294.41888	0.7
323.71469	0.7
347.09476	0.8
365.10541	2.9
537.30359	15.3
639.74969	0.8
699.35522	100.0
700.35754	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	701.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.14745	0.4
55.05505	1.7
57.03432	1.2
61.02919	1.4
67.05502	4.7
69.03410	1.5
69.07056	1.2
71.04999	0.8
71.57623	0.7
73.02906	0.5
79.05492	3.1
80.09650	0.4
81.03421	3.1
81.07053	4.6
83.04967	1.2
83.08608	0.9
85.02898	1.0
88.69879	0.6
91.03938	0.5
91.05481	3.5
93.07033	3.6
95.04955	2.0
95.08596	2.2
97.02886	1.6
97.06529	0.7
105.07037	3.2
107.04959	0.8
107.08601	1.9
109.10146	1.6
111.08080	0.6
117.07008	2.0
119.08587	2.3
121.10131	1.0
123.08115	0.5
127.03854	0.7
129.07014	1.6
131.08574	2.0
133.10153	1.6
135.11737	0.8
143.08574	1.7
145.06461	0.6
145.10138	1.2
147.11690	1.3
155.08537	1.2
157.10115	0.9
159.11665	1.2
161.13217	0.7
167.08566	0.7
169.10127	1.1
171.11707	1.6
173.13222	0.8
181.10124	0.8
183.11696	1.7
185.04279	0.8
195.11598	0.8
199.14792	0.5
203.05319	1.7
207.11682	0.9
209.13107	0.5
259.07941	1.6
281.17715	0.7
321.22696	1.1
333.17496	0.6
339.23856	0.8
347.09427	1.0
351.18561	0.5
365.10547	2.4
464.67935	0.5
539.31226	13.6
570.93921	0.5
665.39502	0.6
683.39587	0.5
701.37067	100.0
702.37701	3.7
717.12201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03949	0.7
55.01865	0.2
55.05496	0.2
57.03436	1.5
61.02904	0.3
64.98164	0.1
65.63290	0.1
68.99800	0.4
69.03417	0.7
70.06567	0.1
71.04991	6.8
73.02883	0.2
75.04461	0.3
77.03928	0.2
79.05483	1.0
79.44810	0.1
81.03413	1.0
83.04974	0.4
85.02901	9.3
87.04463	0.3
91.05429	0.2
95.04964	2.0
97.02294	0.3
97.02892	4.3
97.03520	0.3
99.04449	0.3
105.03385	15.9
105.04510	0.5
106.03704	0.3
107.04928	0.3
109.02893	0.7
111.00806	0.6
111.04431	0.5
121.02866	2.3
123.04411	1.9
127.03923	1.6
128.48898	0.1
129.05464	1.2
131.04901	0.1
133.02794	0.4
135.04395	0.1
137.02332	0.6
137.05965	0.6
145.04961	0.5
145.06459	0.2
147.04373	0.8
147.06517	0.3
153.01828	3.4
157.06482	0.5
158.09055	0.1
161.05867	0.2
165.01811	1.7
167.06976	0.2
171.02948	0.3
171.04404	0.3
176.52350	0.1
176.57158	0.1
177.01839	0.2
183.02875	1.0
185.05975	0.4
189.05460	0.2
213.05420	1.1
231.06410	0.6
241.04980	0.8
249.07608	0.6
257.04721	0.2
258.05197	1.1
259.05951	0.5
267.08594	1.1
269.04324	0.1
286.04709	0.2
287.05481	100.0
288.05795	1.6
301.06995	0.2
329.06558	0.3
340.62033	0.2
451.13812	0.3
535.12598	0.2
553.12823	0.2
584.46643	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	699.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	2.2
55.05501	1.6
57.03425	0.9
58.24213	0.6
60.25178	0.6
65.03606	1.2
65.03938	19.7
67.05502	3.4
69.03416	1.2
70.06534	1.5
71.04986	1.1
71.57069	1.3
76.19518	0.6
79.05492	2.0
79.65252	0.6
81.03411	1.2
81.07048	0.9
82.04175	3.5
83.08604	1.0
85.02904	3.5
87.05560	0.9
91.05489	6.2
92.02600	0.7
93.03389	2.9
94.04170	1.1
95.01304	3.4
95.04961	2.9
97.02924	0.9
97.06516	1.8
100.07623	0.9
100.11243	3.9
103.05456	1.7
105.03369	1.3
105.04479	1.0
105.07011	1.8
106.06671	0.6
107.04945	3.8
108.02082	1.7
109.02884	0.9
109.06539	1.1
110.03652	15.7
111.04436	32.7
115.05421	1.5
119.04927	5.1
121.02863	17.7
121.06499	1.7
123.04468	1.0
125.05061	1.2
125.05981	23.6
128.07083	1.1
129.06975	0.8
131.04935	1.9
133.02885	1.0
133.06018	4.4
136.07516	0.7
137.05971	6.5
138.03088	2.3
140.07019	0.7
144.05716	1.2
145.02846	1.1
145.06482	2.7
147.04382	6.4
147.08040	0.9
149.02380	1.1
149.05925	1.6
151.03925	1.1
151.07520	3.2
153.05457	100.0
159.08043	4.3
161.06038	3.4
165.06964	2.3
167.07095	4.3
167.08417	1.1
173.05956	0.8
174.06764	1.1
175.07533	1.9
177.05455	2.3
177.09082	0.9
178.07767	1.0
179.07053	2.7
179.08485	1.1
181.05008	0.8
181.06459	1.3
182.15393	2.8
187.07544	1.5
191.07025	0.9
191.08607	1.8
194.07318	1.8
195.08028	3.1
196.08604	0.7
197.09671	0.9
198.06715	0.8
199.07550	1.0
201.05359	0.8
203.06866	0.7
203.08592	0.8
205.08623	0.9
206.07352	0.7
207.06302	0.9
207.08002	1.4
208.08836	1.5
209.09680	0.9
210.06825	1.8
210.14915	3.7
211.07501	2.2
213.09192	0.9
215.07025	0.8
216.07837	2.8
218.07249	1.4
219.08069	4.1
220.08908	2.0
221.05975	1.4
223.07515	3.3
224.08365	1.9
225.09059	3.0
226.06248	4.1
228.15936	0.9
233.71303	0.8
234.06750	0.9
235.07588	2.3
236.08286	2.4
237.09079	2.0
238.06218	1.4
239.07104	4.3
239.10704	2.3
240.07767	1.4
241.08731	1.0
246.06810	0.9
247.07416	1.1
247.09676	15.9
248.08342	1.4
249.09082	0.9
251.06905	1.7
251.10608	3.4
252.07698	1.4
253.08569	13.2
254.09332	3.4
255.10245	1.0
261.05411	0.8
263.07315	1.0
264.07840	2.0
265.08524	3.4
266.09305	2.1
267.06717	1.0
267.10184	3.2
269.11685	6.7
270.08765	0.9
275.06918	0.8
277.08661	1.1
279.10083	1.8
281.08133	2.4
282.08881	3.7
283.09595	2.6
287.05450	4.0
293.07794	1.5
294.08929	1.5
295.09662	2.9
297.11197	10.9
307.09494	5.3
309.11118	2.0
311.09244	1.6
311.12698	1.0
319.09689	1.3
325.10681	63.5
326.11258	2.0
327.12198	1.7
329.13922	1.5
337.10623	1.7
339.12234	10.0
340.12906	1.7
341.14011	1.7
351.12402	1.6
355.11963	2.1
357.13297	69.8
358.13708	0.9
369.13254	5.6
370.13757	1.2
387.14160	3.8
403.22256	0.6
454.32773	1.0
475.17038	0.7
487.16696	1.1
517.18518	1.0
665.49304	0.7
680.49365	1.1
681.49988	1.0
698.50372	2.7
699.49860	1.0
711.09973	0.7
722.13934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21056	1.8
53.03941	2.8
55.01877	2.7
55.05508	15.6
57.03440	8.4
57.07075	11.0
57.24842	1.6
58.64205	1.8
61.02925	27.6
65.03933	2.0
67.05503	78.9
69.03417	4.5
69.07066	23.8
70.28361	8.7
71.04980	2.7
71.08619	4.3
73.02925	8.6
79.05487	21.9
81.07056	84.6
83.08614	23.4
85.02900	27.0
85.06538	4.0
85.10187	2.2
91.03956	22.7
91.05480	13.1
93.07037	25.8
95.04943	2.8
95.08598	78.1
97.02875	14.0
97.06526	6.0
97.10152	14.3
98.20787	1.7
99.08073	2.7
105.07019	10.4
107.08607	20.1
109.10153	38.3
111.08069	4.1
111.11737	5.8
119.07829	2.0
119.08559	12.6
121.10139	22.2
123.11697	19.4
127.03876	9.7
133.10114	20.8
135.11696	11.9
137.09604	2.2
137.13252	6.3
139.11140	2.3
141.12741	4.8
145.04968	12.0
147.11734	10.7
149.13301	9.8
151.14804	9.3
153.12743	1.9
155.14276	2.5
161.13257	17.0
163.06013	19.6
163.14821	9.4
165.16393	11.6
175.14824	8.2
177.16364	2.5
179.14304	1.7
179.17963	6.7
189.16391	5.5
245.22641	65.4
263.23703	100.0
264.23904	2.4
281.24829	3.9
304.91647	2.2
337.27344	71.4
338.27945	2.1
347.64703	1.9
355.28452	9.7
499.32819	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.05503	4.5
57.03429	5.2
61.02639	2.1
61.02921	9.9
67.05507	20.7
69.03437	4.4
71.58057	3.7
72.04520	6.0
73.02913	7.6
79.05486	6.5
81.03412	2.5
81.07052	8.9
83.08617	3.1
85.02900	9.1
91.03957	7.2
91.05477	7.0
93.07044	6.4
94.64075	2.2
95.08590	7.5
97.02886	6.7
99.04395	2.0
101.02360	1.9
101.94874	1.8
105.07035	6.3
107.08594	3.4
109.06503	2.5
109.10165	11.1
118.06567	5.1
119.08576	2.6
121.10164	2.9
127.03887	3.6
133.10136	3.7
135.11641	3.2
149.01234	3.1
161.91548	2.1
173.11737	2.8
208.46770	1.8
230.15382	13.4
247.16710	2.1
248.16608	3.5
301.08960	5.3
315.10651	3.3
319.20001	5.3
345.18060	2.5
358.16422	6.6
358.66541	9.7
359.16483	3.7
371.16788	3.1
373.11035	2.3
383.16425	2.1
385.18201	3.5
413.17865	26.9
419.21823	2.7
425.21417	6.4
429.17361	2.7
453.20905	7.8
469.20648	2.9
484.22977	3.1
485.19781	6.4
541.25549	3.1
553.29315	2.7
567.31329	23.2
596.31494	3.5
597.79681	2.5
623.34564	2.2
625.31921	100.0
626.31586	5.5
628.30786	4.8
651.33478	11.0
653.45282	3.6
679.42694	4.3
697.33606	29.0
697.44165	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	695.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.96564	11.6
59.53871	0.3
66.33013	0.2
66.74342	0.3
66.99546	0.2
67.05499	0.4
69.03413	0.3
69.07039	0.3
71.00710	0.2
71.95251	0.9
72.96043	0.5
74.97613	0.5
79.05489	1.0
81.07054	2.8
84.96030	0.3
91.05486	0.6
92.98602	0.4
93.07023	0.5
95.04983	0.4
95.08621	0.5
97.02876	0.4
97.57344	0.2
97.96803	0.5
102.11575	0.2
105.07005	0.8
107.08568	0.6
110.97554	0.4
115.05385	0.3
115.97832	0.4
116.98597	0.3
119.08593	0.5
121.10158	0.4
121.32075	0.2
123.01228	0.3
127.03852	0.4
128.09288	0.3
128.98604	1.0
133.10126	0.3
134.12253	0.3
134.99594	0.3
137.05974	0.9
141.02251	0.4
141.99374	0.3
144.00024	0.3
145.02853	0.9
145.10123	0.3
146.99651	1.9
147.04431	0.4
147.07785	0.3
149.01225	0.3
155.03825	0.5
159.03278	0.5
159.11688	0.3
161.01181	0.6
161.04945	0.3
165.00697	0.7
167.02199	0.3
169.05353	0.3
171.03336	0.9
173.04836	0.5
177.05540	1.9
181.05272	0.3
184.07420	0.3
185.01036	0.2
185.04839	0.8
187.02831	0.5
187.06401	0.3
189.04420	0.8
191.05907	0.5
193.03818	0.4
195.06935	0.7
197.04898	0.5
198.05591	0.5
199.06416	1.6
199.14740	0.3
201.04189	0.3
201.07945	0.4
203.05894	1.7
205.07541	0.9
207.06895	0.4
209.06889	0.3
209.08760	0.3
211.06380	0.9
213.07983	4.8
215.05884	0.3
217.07460	3.7
219.06927	0.4
219.09007	0.6
221.06767	0.4
223.02736	0.5
223.08488	1.1
225.07915	2.4
227.05873	0.3
227.09601	0.6
229.07466	3.4
231.06734	0.5
231.09032	10.3
236.09547	0.6
237.04475	0.5
237.08025	0.9
239.09570	2.2
241.03716	0.3
241.07422	0.4
241.11148	2.4
242.08275	0.6
243.09032	3.2
244.09807	0.3
245.10498	0.5
247.08501	3.8
249.10085	0.4
251.09486	4.1
253.07590	0.3
253.11076	0.9
254.10696	0.4
255.05356	0.3
255.06143	0.3
255.09045	4.4
257.10626	2.7
259.12146	4.6
260.09311	0.3
261.07724	0.3
261.10120	0.9
267.09030	0.8
269.10583	25.7
270.10800	0.7
271.12210	0.4
273.10095	4.2
279.09021	1.4
280.09842	1.4
282.13748	0.4
285.10059	0.5
287.11639	16.8
288.12027	0.4
292.12244	2.1
297.10089	2.7
298.10751	1.8
299.10284	0.3
307.15784	0.6
310.13110	1.0
313.14743	0.5
315.11127	1.1
316.11823	0.5
321.17209	0.4
325.16449	0.5
331.15762	6.7
349.16861	14.1
350.17209	0.3
367.17899	100.0
368.18234	2.3
372.18137	1.2
385.18961	14.1
386.08527	0.3
386.19470	0.4
408.20572	5.5
483.30829	0.6
519.33435	0.6
695.40967	5.1
696.40594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01853	2.1
55.05504	11.9
57.03424	5.6
57.07072	1.7
61.02922	33.3
65.03937	3.4
67.05499	70.2
69.03416	5.6
69.07059	12.0
69.96519	1.6
70.03059	7.9
71.04990	2.0
73.02908	13.0
75.04477	2.2
75.88786	2.1
79.05486	42.6
81.03444	2.1
81.07049	82.2
83.08612	6.5
85.02901	37.3
85.06516	2.7
91.03938	30.6
91.05469	19.5
93.07034	51.9
95.04952	4.0
95.08596	66.9
97.02885	16.6
97.10146	5.2
99.04436	3.6
99.08067	2.9
105.07024	15.6
107.08586	36.1
109.02846	2.0
109.06488	2.8
109.09457	2.9
109.10150	36.5
111.08061	2.0
115.03974	1.9
117.07015	8.5
119.08574	16.3
121.10136	37.5
123.11681	16.6
125.09631	1.9
127.03923	11.1
131.08554	22.2
133.10129	17.6
135.11674	28.6
137.09583	3.6
137.13225	5.2
139.11115	2.0
145.04945	14.1
145.10106	15.3
147.11713	13.5
149.13228	21.7
151.11206	2.6
151.14813	3.1
159.11682	15.4
161.13258	11.2
163.06006	22.5
163.14787	14.2
165.12790	2.3
173.13264	17.4
173.28363	1.6
175.14809	4.8
177.16394	6.6
179.14253	2.1
187.14818	7.1
201.16409	2.0
205.15796	2.8
215.17824	1.8
233.22647	5.6
243.21059	37.6
243.23375	3.1
257.70078	1.9
261.22101	100.0
262.22452	4.2
279.23218	5.6
335.25751	31.8
336.26041	2.2
353.26849	51.4
497.30975	3.6
677.13892	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	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83770	2.1
53.03962	2.2
55.05495	9.6
57.03420	5.9
61.02929	28.6
67.05502	59.8
69.03411	3.7
69.07071	11.5
70.13706	10.1
71.04987	2.9
73.02913	10.8
79.05487	35.2
81.07056	60.7
82.07365	2.3
83.08607	8.1
85.02904	36.7
85.06512	3.3
91.03951	27.7
91.05465	19.6
93.07043	45.3
95.04957	3.9
95.08605	49.4
97.02905	11.7
97.06530	3.8
97.10146	3.0
105.07032	16.9
107.08584	37.1
109.06473	3.6
109.10158	31.9
117.06976	6.2
119.08603	11.3
121.10133	38.0
123.11691	17.6
127.03906	9.7
131.08556	22.6
133.10124	14.9
135.11707	24.6
137.13214	6.9
139.11217	2.9
141.98566	2.3
145.04980	12.0
145.10124	14.4
147.11719	12.4
149.13248	25.1
158.00246	2.3
159.11665	13.3
161.13255	9.5
163.06010	24.4
163.14824	16.2
165.12788	3.7
173.13245	16.8
175.14833	4.2
177.16409	6.4
179.14241	3.3
187.14761	8.5
189.16487	2.6
191.14328	3.2
200.44080	2.2
201.16425	4.3
205.15724	2.7
215.17931	2.6
221.37358	2.4
233.22986	3.2
243.21098	35.3
261.22150	100.0
262.22482	3.1
263.23840	2.7
270.96292	2.6
279.23367	2.7
333.76236	2.4
335.25787	18.0
353.26801	43.5
356.58124	2.5
406.75287	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	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35652	3.5
55.05506	17.4
57.03439	4.4
57.07078	5.9
59.75837	3.7
61.02917	38.8
67.05500	66.1
69.03425	4.8
69.07056	14.2
71.04988	4.7
73.02905	13.7
74.17152	3.7
79.05486	37.8
81.03406	5.7
81.07051	67.2
83.08592	5.7
85.02899	49.0
85.06516	8.6
91.03960	35.6
91.05465	27.1
93.07035	69.0
95.04977	6.6
95.08601	66.6
97.02888	21.6
99.04427	4.5
105.07034	23.3
107.08598	35.6
109.02878	4.2
109.10165	39.6
110.59524	4.5
117.06998	9.5
119.08567	22.2
121.10145	37.6
123.11675	21.8
127.03902	14.8
131.08568	25.4
133.06071	3.9
133.10110	16.7
135.11719	21.1
137.13266	6.4
145.04941	21.5
145.10115	14.3
147.11658	18.5
149.13275	21.5
151.14862	3.8
159.11697	13.6
160.93291	3.8
161.13322	9.5
163.06009	27.8
163.14806	12.4
173.13237	16.2
175.14851	6.5
177.16423	5.5
187.14760	7.1
191.14423	4.0
217.15346	4.9
221.15419	4.3
229.68106	4.2
233.22514	5.7
243.21109	36.6
261.22110	100.0
335.25781	12.9
353.26898	48.6
354.26321	4.1
437.22845	3.9
607.95044	4.6
694.34363	7.6
719.40021	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	694.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59313	5.9
98.20770	10.4
216.69249	6.0
227.04904	6.3
228.69072	6.9
237.10153	6.9
265.13321	7.8
266.13977	8.1
402.14682	10.2
419.18594	9.2
430.17856	10.2
447.22150	10.8
459.21539	19.6
475.21823	31.4
503.20514	10.3
521.20935	8.3
535.23425	13.1
562.25342	9.3
563.22516	7.1
579.25122	9.2
595.25507	11.2
605.23541	9.4
606.27985	16.2
609.26733	14.6
610.27368	8.2
622.27887	100.0
623.26709	9.4
637.26141	22.2
638.27185	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01869	6.9
55.05511	34.8
57.03425	18.6
57.07071	2.5
59.04991	3.4
61.02924	8.6
65.03931	3.1
67.05502	100.0
69.03421	3.4
69.07069	17.6
70.39320	5.2
71.01361	2.0
71.04981	6.9
72.78768	1.1
73.02912	3.8
76.63402	1.2
79.05491	40.6
80.27019	1.1
81.03416	15.8
81.07050	73.6
83.04979	11.6
83.08144	1.7
83.08614	22.8
85.02430	1.9
85.02903	18.7
85.06530	4.5
87.04446	4.6
91.03957	2.7
91.05479	29.1
93.06474	2.5
93.07040	42.1
93.07632	2.3
95.04980	8.2
95.08607	22.9
96.21410	1.2
97.02883	6.3
97.06525	9.2
97.10168	15.4
98.21345	1.2
99.08054	2.4
102.05724	1.1
102.48457	1.2
105.07026	13.4
107.04957	3.9
107.08587	28.3
109.06509	3.8
109.10147	56.7
111.04429	2.4
111.08109	9.7
117.07001	9.4
119.08590	11.5
121.06497	4.7
121.10137	11.2
123.08041	1.6
123.11655	3.3
125.09622	17.4
127.03864	1.9
128.06207	1.4
129.05467	5.6
129.06989	3.6
131.08563	8.8
133.10135	13.5
135.08028	2.4
135.11688	9.9
137.09628	2.7
143.08464	1.9
143.10689	3.4
145.05099	1.3
145.10088	5.2
147.08038	2.2
147.11658	5.0
149.09576	2.2
149.13255	12.9
151.11115	1.9
153.12709	2.3
153.77353	1.5
155.10637	3.0
157.10025	1.6
159.11635	7.4
163.11142	10.7
165.12727	2.5
167.14444	1.4
173.09587	2.3
173.11725	19.0
177.12721	6.2
181.12227	2.6
191.10687	4.2
193.12239	3.7
195.13770	15.3
199.13266	7.9
201.14871	1.4
209.11740	7.2
211.13324	3.2
213.14848	1.6
227.12828	9.4
229.14331	51.2
229.16576	2.9
230.14673	2.0
239.16472	3.0
267.15808	9.0
269.17474	54.9
283.15424	5.3
301.16470	15.1
313.16367	1.6
393.26276	1.5
411.27271	4.7
423.27386	34.4
431.27698	2.4
449.28641	1.3
477.28577	1.9
495.29480	54.1
496.29706	1.6
502.65744	1.5
513.30615	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	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.2
55.01856	6.1
55.05510	22.8
57.03435	9.8
57.07062	4.6
61.02906	3.4
65.03938	5.5
67.05501	79.3
69.03430	32.3
69.07069	24.4
71.04988	14.6
71.58613	1.6
71.59021	2.0
71.68231	2.0
73.02889	4.8
79.05490	60.1
81.03415	59.1
81.07052	100.0
83.04980	24.4
83.08613	11.9
85.02892	11.0
85.06531	6.4
91.04902	2.4
91.05473	50.2
93.07037	69.2
95.04973	15.2
95.08604	46.7
97.02888	24.8
97.06524	13.1
97.07047	2.1
97.10159	5.0
99.04455	7.5
99.08059	3.6
101.26969	1.8
101.88119	1.9
105.04486	2.8
105.07028	32.1
107.04932	4.2
107.08588	27.1
109.02898	9.6
109.06503	3.8
109.10156	18.1
111.04451	10.6
111.08081	4.4
113.06013	1.9
117.07010	16.3
117.73086	2.7
119.08579	20.0
121.06489	4.4
121.10121	25.0
123.08043	2.4
123.11702	8.9
127.03912	11.5
128.06184	2.0
129.05486	11.5
129.06984	8.1
130.07677	2.1
131.08574	21.4
133.06438	2.8
133.10138	22.2
135.08046	5.3
135.11682	15.2
137.09589	3.9
139.11142	3.0
143.08540	6.9
145.10100	11.8
147.08044	4.1
147.11694	17.1
149.09569	3.5
149.13254	18.2
151.11194	3.4
155.08519	2.9
157.10080	6.4
159.11690	20.7
160.31801	2.1
161.13246	5.8
163.11169	2.8
163.14803	2.4
165.12712	2.7
169.10091	4.9
171.06625	3.2
171.11694	5.9
173.04445	19.9
173.13231	5.0
175.11159	2.3
177.12735	13.3
179.14311	2.5
183.11617	3.4
185.13258	2.8
187.13234	4.1
195.13823	12.4
207.13606	2.7
213.14769	2.9
227.12688	2.1
228.38498	2.1
243.15939	3.3
259.20383	2.1
261.22116	4.8
267.15833	3.1
269.17456	13.2
301.21561	3.8
335.25775	17.1
337.27322	3.7
339.17953	3.9
351.23035	3.6
369.24231	3.2
387.25171	3.9
413.21536	6.1
461.28622	2.8
498.92908	2.2
503.37332	25.0
519.36523	3.5
529.38892	17.1
655.41455	3.2
673.43152	5.8
691.40936	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01867	0.6
55.05515	1.2
57.03426	1.9
61.02922	6.0
65.03953	0.4
67.05504	8.1
67.05836	0.7
69.03428	3.4
69.07068	1.5
70.83925	0.6
70.84260	0.8
71.01352	0.5
71.05029	0.6
73.02914	3.8
79.05496	2.6
81.03416	1.6
81.07056	4.8
83.08621	0.8
85.02905	5.8
87.04432	0.5
91.03952	3.8
91.05460	2.4
93.07037	3.9
95.04957	0.9
95.08600	3.5
97.02891	5.3
99.04424	0.8
101.02380	2.0
105.07023	1.3
107.08622	1.7
109.02892	1.2
109.10160	6.1
119.08601	1.1
121.10154	1.7
127.03929	1.6
129.05473	0.4
130.09801	0.4
131.08607	0.6
135.11700	0.9
147.11726	0.7
155.34029	0.4
173.11765	0.5
182.13557	0.4
195.09946	1.0
201.63896	0.4
203.05191	0.5
220.84924	0.4
229.14395	0.5
241.18913	0.4
243.08505	1.4
332.42032	0.4
335.25919	0.8
370.58926	0.4
413.17700	4.8
519.29279	11.1
519.37109	0.6
691.40253	100.0
692.40741	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.57996	0.3
55.01849	0.5
55.05508	1.9
57.03427	1.6
61.02924	5.3
67.05502	10.1
69.03432	3.0
69.07063	1.0
70.53965	1.6
71.04996	0.9
73.02916	3.9
79.05492	2.4
81.02982	0.4
81.03407	2.1
81.07056	4.6
83.08604	1.0
84.14042	0.4
85.02901	5.0
85.06526	0.4
91.03954	3.1
91.05493	2.2
93.07031	2.9
95.04953	0.6
95.08603	3.1
97.02886	5.7
98.98504	0.4
99.04455	0.7
101.02378	1.9
101.69351	0.4
105.07043	1.1
107.08578	1.5
109.02898	0.9
109.10152	8.0
111.08070	0.5
112.69591	0.4
115.03835	0.4
119.08584	1.4
121.10162	1.0
123.11677	0.4
127.03912	1.3
131.08588	1.3
135.11690	0.9
137.09671	0.4
173.11742	1.6
185.04276	0.7
187.07582	0.4
195.09906	0.6
207.25349	0.4
229.14366	1.3
243.08401	2.0
246.37875	0.4
315.41724	0.4
322.16425	0.4
335.25836	1.0
413.17801	12.8
413.23044	0.8
464.92776	0.4
519.29352	5.2
519.36700	0.4
529.38843	0.6
532.38788	0.4
691.40234	100.0
692.40552	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	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
53.75335	1.6
55.01866	3.4
55.05506	8.0
57.03436	3.2
59.56233	1.3
61.02919	3.1
63.81018	1.4
67.05497	12.9
69.03429	15.9
69.07068	7.5
70.06593	3.8
70.10622	1.5
70.70074	2.0
70.70435	4.5
71.01331	1.5
71.04987	2.7
71.08627	9.2
72.08144	6.7
73.02908	3.3
79.05492	10.3
80.84556	1.5
81.03403	16.3
81.07050	18.1
83.04954	4.2
83.08617	5.0
84.08149	2.3
85.02897	16.1
85.06538	2.8
86.06060	46.8
87.00833	5.4
91.05463	11.0
93.07036	10.9
95.04961	5.5
95.08591	5.7
96.08132	11.2
97.02863	10.5
97.06509	6.2
98.06071	2.3
98.09682	16.3
99.04449	6.8
99.08085	11.4
105.01884	2.9
105.07033	12.9
107.04939	2.6
107.08592	6.1
108.08111	3.8
109.02885	11.8
109.06493	2.9
109.10143	4.7
111.08111	1.5
113.05968	1.7
114.09177	3.2
116.10723	100.0
119.08589	8.4
121.06480	1.8
121.10161	5.4
122.09693	2.4
123.08051	2.1
124.07586	6.3
126.09142	2.0
127.03902	20.2
129.07024	4.7
131.08598	4.7
133.10120	7.0
135.11636	1.7
142.07671	2.8
142.08630	16.0
142.12328	2.2
143.10664	2.3
145.04962	3.0
145.10135	3.5
147.04433	2.0
147.11707	15.7
149.09619	2.3
149.13188	1.5
152.10699	2.0
157.10147	7.3
159.11674	1.8
165.09122	2.6
165.12769	3.1
167.07060	1.7
175.11157	9.9
190.15775	1.6
193.12323	3.7
196.16937	2.2
205.12076	1.4
212.16374	8.0
213.04117	2.1
214.17993	22.5
229.14325	2.4
231.05042	3.4
290.21085	2.1
308.22198	12.3
326.23227	45.8
328.24908	3.2
344.24298	63.7
347.13232	3.8
364.15848	2.3
424.30566	6.1
442.31665	20.3
460.21530	3.0
462.23264	3.4
475.26859	1.6
478.22806	2.8
506.29373	2.7
513.32458	1.7
530.29840	2.2
548.30524	6.5
574.28320	9.8
592.29602	63.5
593.29932	2.7
646.37518	1.8
650.68311	1.6
671.88519	1.7
672.35596	2.6
690.36908	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27471	1.6
55.01859	2.9
55.05510	8.6
56.93639	1.6
57.03445	3.0
61.02913	4.1
62.63363	1.9
67.05496	12.9
69.03422	9.8
69.07061	7.2
70.06567	2.7
70.53395	3.8
70.53767	3.5
71.01341	2.6
71.04988	4.2
71.08620	7.4
72.08150	5.9
73.02896	1.5
79.05499	6.7
81.03419	11.0
81.07050	20.9
83.04961	2.9
83.08638	2.8
84.08138	2.3
85.02895	11.4
86.06067	27.1
91.03871	2.2
91.05476	10.8
93.07026	9.2
95.04948	4.5
95.08608	9.8
96.08105	5.1
97.02891	7.0
97.06550	4.3
97.10179	2.4
98.09708	10.1
99.04469	5.5
99.08089	8.0
101.02383	1.7
105.01911	2.1
105.07005	9.7
107.08585	6.6
108.08123	4.9
109.02876	9.6
109.06519	1.7
109.10160	3.9
114.09189	2.2
116.10724	77.5
117.07017	3.0
119.08566	5.9
121.10133	6.7
122.09641	2.8
123.08077	3.4
123.11724	4.2
124.07579	2.7
125.09652	2.1
127.03905	14.3
129.06992	2.0
131.08556	3.6
133.10146	3.3
135.11700	2.3
140.10687	2.6
142.08690	3.3
143.10678	2.8
145.04926	2.2
145.10126	2.3
147.11703	10.6
149.09631	3.2
157.10095	6.0
159.02968	2.1
159.11617	2.9
163.11208	2.1
189.72328	1.7
192.77553	1.6
212.16457	3.0
214.18034	20.6
227.12849	3.3
231.04805	2.2
266.21057	2.5
271.96716	2.3
282.24222	8.7
283.15195	2.0
284.22189	6.0
290.21085	2.0
291.19440	2.5
292.20175	2.1
308.22263	7.4
326.23203	13.0
344.24289	100.0
345.24936	2.1
381.14783	1.8
391.05969	1.9
424.30487	3.4
442.31738	21.7
462.23340	6.0
467.53622	2.0
492.26785	1.8
493.27716	4.7
506.29428	3.0
548.30267	6.5
592.29565	55.2
593.29913	3.1
690.36554	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01863	3.6
55.05501	3.6
56.05031	1.2
57.03436	2.6
61.02922	2.1
65.03932	1.1
67.05506	10.0
68.99801	2.1
69.03429	14.0
69.07075	6.7
70.06580	4.3
70.17150	2.8
70.17544	2.2
70.25697	1.0
71.04989	2.0
71.07352	1.3
71.08632	8.7
72.08150	5.9
73.02910	2.5
76.60340	1.1
79.05492	7.5
81.03415	11.3
81.07053	15.0
83.04964	2.7
83.08605	2.1
84.08137	2.6
85.02904	10.5
85.06497	1.5
86.06067	47.0
86.09695	1.8
87.00868	5.2
91.05465	10.2
93.07028	6.7
94.06599	1.1
95.04964	4.7
95.08592	5.4
96.08111	8.1
97.02882	8.3
97.06522	6.0
97.10160	1.1
98.09694	13.9
98.21382	1.3
99.04459	4.4
99.08101	9.7
105.01895	1.0
105.07027	6.7
106.26752	1.1
107.04952	2.7
107.08600	4.2
108.08113	4.2
109.02888	11.8
109.06512	3.3
109.10168	2.5
110.09643	1.3
114.09139	1.9
116.10730	100.0
117.06991	1.4
117.11043	1.7
119.08562	6.5
121.10139	3.3
122.09667	2.6
123.08078	1.6
123.11743	1.6
124.07602	3.8
125.05986	1.2
127.03924	15.6
129.01810	1.4
129.06996	3.8
131.08560	2.8
133.10106	4.5
134.09686	1.4
135.11719	1.7
140.10689	2.1
141.86931	1.2
142.07698	1.8
142.08653	9.0
142.12311	1.2
143.08545	1.3
143.10660	2.0
145.04979	2.4
145.10132	2.3
147.11685	13.6
149.09656	1.6
149.13278	1.7
149.44489	1.1
157.10144	7.0
159.02919	1.9
163.11194	1.4
165.12801	2.6
175.11174	8.7
187.06094	2.0
193.12292	4.4
207.15912	1.3
213.04041	1.4
214.18016	16.2
225.11232	2.0
229.14389	1.6
231.04948	2.3
237.14865	1.1
275.20233	1.1
285.13403	1.4
303.14459	1.1
308.22162	9.0
310.23874	2.8
326.23233	33.7
328.24783	17.7
329.12177	1.8
344.24298	60.6
347.13391	3.1
406.29785	1.3
424.30533	5.6
442.31665	15.3
443.31491	1.1
449.16943	1.2
462.23340	4.9
475.26379	1.4
493.27499	1.7
530.29706	1.2
548.30646	5.1
574.28497	8.1
576.29999	7.7
592.29675	48.2
604.36554	1.6
646.37482	2.5
672.36194	1.5
690.37189	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	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68193	1.3
53.03944	3.1
55.05509	5.5
57.03423	1.2
61.02908	1.9
67.05508	8.8
69.03429	11.0
69.07069	5.3
69.95773	4.7
69.96187	2.6
70.06595	3.4
70.15211	1.3
71.04986	2.5
71.08631	7.2
72.08158	5.1
73.02915	2.3
79.05475	5.9
81.03414	11.2
81.07058	17.0
83.04979	3.0
83.08620	2.0
84.08134	2.0
85.02904	10.3
85.06556	1.6
86.06071	29.3
87.00814	3.6
91.05487	7.7
93.07040	6.3
95.04976	1.3
95.08607	5.9
96.08160	3.8
96.08925	1.3
96.92315	1.4
97.02896	6.8
97.06540	2.6
98.06052	2.5
98.09690	13.6
99.04465	4.3
99.08082	7.3
103.03967	1.7
105.07018	5.4
107.04945	1.8
107.08584	3.9
108.08132	3.2
109.02879	8.7
109.06501	2.0
109.10170	1.5
113.05894	1.3
116.10732	84.1
116.56362	1.5
119.08567	5.9
121.10136	3.0
122.09699	2.4
123.11712	4.2
124.07582	2.3
127.03919	13.7
131.08585	2.4
133.10211	2.9
136.11174	1.5
140.10718	3.1
142.08646	3.0
143.10658	2.2
145.04958	2.0
147.02869	1.6
147.11673	8.8
148.56012	1.3
157.10159	3.2
159.03036	1.4
165.12813	1.7
175.11168	3.3
193.12299	2.1
196.16924	1.7
212.16548	1.6
214.18025	16.4
229.14220	1.8
231.04985	2.6
237.14876	1.5
251.68985	1.3
255.15944	1.3
266.21176	2.4
282.24295	10.5
284.22116	5.9
290.21387	1.7
308.22021	8.6
326.23175	8.7
344.24304	100.0
345.24664	3.0
347.13031	2.4
424.30740	2.4
442.31613	16.7
462.23300	5.9
506.29608	3.3
548.30908	8.9
592.29645	54.5
593.30084	4.3
646.37775	1.8
690.36517	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.9
54.12664	1.9
55.01860	8.0
55.05507	34.4
57.03440	11.9
57.07072	3.7
61.02914	9.2
65.03920	3.0
67.05502	71.5
69.03429	25.5
69.07070	23.6
69.92000	3.5
69.92405	9.1
71.04991	12.3
73.02903	6.1
76.21583	2.1
79.05061	3.9
79.05492	54.1
80.98895	1.9
81.03416	81.0
81.06581	5.1
81.07052	83.1
83.04970	16.4
83.08608	12.7
85.02899	21.1
85.06514	5.1
89.16552	2.1
91.03967	5.8
91.05475	56.2
93.06470	4.6
93.07039	60.6
95.04964	16.5
95.08607	44.6
97.02886	40.6
97.03498	2.1
97.06525	9.6
97.07085	1.9
97.10174	6.4
98.20819	2.6
99.04449	8.1
99.08087	3.0
103.03960	2.1
105.07032	49.7
107.04963	6.3
107.08595	30.7
109.02880	10.8
109.06507	8.8
109.10156	16.8
111.04446	6.6
111.08096	4.4
115.05457	4.1
117.07007	27.2
119.08589	32.2
121.06487	5.0
121.10126	26.5
123.08065	6.2
123.11689	10.4
127.03912	13.9
128.06242	5.7
129.05484	7.8
129.07008	18.9
131.08560	38.0
133.10121	28.3
135.07976	5.5
135.11687	16.5
137.09647	3.1
137.70406	2.4
141.05293	2.2
141.06973	7.6
142.07744	4.0
143.08549	24.8
145.06471	5.1
145.10118	31.3
147.08017	3.2
147.11673	30.5
149.13318	11.6
154.07742	2.6
155.08548	12.8
157.10112	19.9
159.11665	24.2
161.09608	4.7
161.13254	13.0
163.11142	3.3
165.06984	2.6
165.12733	8.0
167.08568	5.6
169.10115	19.4
169.86287	2.1
171.11684	21.4
173.04466	11.5
173.09673	2.9
173.13269	15.1
175.11240	4.1
175.14839	3.6
177.12790	4.1
179.08510	2.7
181.10083	11.2
183.08057	2.8
183.11699	16.4
185.13264	11.5
187.14842	6.3
195.11658	7.1
197.13260	11.3
199.11116	2.5
199.14828	7.1
209.13277	6.7
211.14870	5.2
213.12816	2.4
213.16483	3.7
219.13747	2.6
221.13329	4.2
223.14951	3.2
229.14236	3.4
237.16476	2.7
241.19533	6.5
243.21008	3.9
257.18906	3.6
259.20590	11.2
261.22101	7.0
267.15906	8.4
269.17456	7.0
271.20490	4.7
275.20145	2.8
277.21732	3.2
283.20505	4.2
285.17020	3.7
301.21582	3.0
311.23923	2.5
333.24066	5.9
335.25864	7.0
339.23141	3.4
341.84085	2.4
351.22812	3.0
385.23886	4.4
409.31064	2.3
411.20200	3.8
413.21564	3.6
417.31503	3.6
435.32642	14.0
453.33841	8.3
471.34695	3.4
473.32962	3.3
509.36411	5.6
517.38934	6.8
523.30707	2.7
525.35248	4.5
527.37317	100.0
528.37671	6.9
529.38879	5.7
545.38312	12.2
551.36926	4.6
635.39191	4.2
653.40259	8.9
671.41229	14.7
689.42542	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.4
53.03942	13.4
55.01857	6.8
55.05513	27.6
57.03438	12.1
57.07047	2.6
57.10130	1.8
61.02931	12.0
65.03936	3.7
67.05504	63.3
69.03430	26.7
69.07066	23.4
70.11576	3.5
70.11971	5.5
71.01321	2.4
71.04991	12.2
73.02902	5.0
73.72029	2.4
79.05489	50.4
81.02921	2.9
81.03414	64.7
81.07053	75.3
83.04973	14.1
83.08622	12.3
85.02909	21.2
85.06552	4.4
91.03942	5.2
91.05475	54.2
93.07041	48.0
93.07623	3.0
95.04967	11.8
95.08600	40.2
97.02888	24.6
97.06503	6.8
97.10159	4.6
99.04450	9.6
101.02377	3.1
105.07029	43.4
107.04945	6.6
107.08594	29.7
109.02193	2.0
109.02873	10.9
109.06495	8.4
109.10168	13.8
111.04440	4.3
111.08051	3.7
117.07018	21.2
119.08588	35.7
121.06479	3.6
121.10136	21.5
123.07995	3.3
123.11687	9.4
125.09571	2.6
127.03932	12.9
127.07543	2.2
128.06229	5.2
129.05464	8.1
129.06995	20.9
131.08557	29.5
133.06514	3.0
133.10133	20.3
135.08012	4.4
135.11703	11.4
137.09685	2.3
139.11122	2.3
141.06970	6.9
143.08560	21.8
145.06398	2.7
145.10130	23.4
146.10414	2.2
147.08044	2.8
147.11664	19.1
149.13229	10.1
153.06950	2.8
154.07759	2.3
155.08572	14.6
157.10114	16.1
159.11674	20.5
161.13243	9.2
165.12749	7.5
167.08548	6.1
169.10097	13.3
171.11694	17.8
173.04504	11.0
173.13258	11.8
175.11212	3.6
175.14771	3.5
177.12758	2.9
179.08643	2.3
181.10069	10.5
182.10971	2.0
183.08104	2.4
183.11731	13.0
185.13264	14.0
187.11168	3.8
187.14842	7.3
189.12706	3.2
189.16350	2.4
193.10081	3.6
195.11673	7.5
195.13718	4.4
197.09705	3.1
197.13289	9.1
199.14816	7.5
209.13203	6.4
211.14882	3.8
223.14879	4.5
225.12663	2.8
225.16299	2.9
237.16330	2.8
239.17952	2.7
241.19504	6.1
245.56465	2.1
257.19131	2.9
259.20572	7.7
261.22247	4.1
267.15933	9.4
269.17441	5.7
271.16696	2.4
271.20493	3.1
275.20041	3.9
283.20392	2.5
285.16794	3.5
301.21567	3.4
311.24136	2.4
330.99194	2.4
333.24142	6.0
335.25668	6.7
351.22800	3.2
353.24655	2.6
367.22556	4.4
369.24304	3.1
385.23337	2.7
413.21515	3.1
417.30960	3.6
422.90082	2.3
435.32376	14.3
453.33533	8.5
471.34592	6.3
501.35788	3.1
509.36151	5.2
517.38806	4.0
525.35602	4.7
527.37292	100.0
528.38074	4.3
529.38538	2.3
543.36322	3.3
545.38196	6.6
619.78668	2.1
635.39130	5.7
653.40210	7.7
671.41687	14.3
689.42603	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	17.6
54.57124	2.4
55.01869	7.7
55.05510	33.2
57.03431	13.9
57.07070	6.7
61.02917	9.8
65.03941	6.4
67.05502	86.0
69.03429	31.3
69.07063	31.9
69.37962	26.5
71.05002	14.7
73.02904	6.5
75.73816	2.2
79.05489	66.2
81.03414	100.0
81.06583	4.7
81.07056	87.1
83.04957	17.3
83.08632	19.4
85.02896	13.9
85.06541	5.1
91.03942	2.8
91.05479	62.4
93.07041	68.0
95.04957	15.5
95.08606	57.4
97.02890	40.4
97.06519	12.0
97.10165	8.1
99.04491	7.2
99.08070	5.2
103.05479	3.0
105.07024	61.1
107.04940	8.2
107.08594	41.6
107.74157	2.7
109.02866	15.5
109.06540	5.1
109.10155	19.1
111.04436	6.7
111.08058	4.0
114.07896	2.9
115.05468	4.5
117.07005	21.4
119.08574	48.2
121.06485	4.0
121.10136	30.0
123.08067	5.0
123.11709	13.1
125.09605	5.0
127.03915	17.5
128.06262	5.4
129.05472	7.8
129.07008	22.6
131.08556	46.3
133.06497	3.2
133.10106	29.0
135.08014	5.0
135.11665	21.5
137.09599	3.4
141.07005	5.9
142.07777	5.5
143.08568	23.5
145.06511	2.8
145.10117	32.2
147.11676	35.1
149.09633	6.2
149.13226	14.1
155.08537	13.1
157.06393	4.1
157.10106	21.9
159.08064	4.6
159.11694	24.5
161.09615	4.0
161.13274	10.7
163.14801	2.8
165.12726	7.4
167.08508	5.8
169.10135	17.3
171.11670	17.9
173.04474	16.5
173.09544	3.0
173.13243	11.4
175.11176	5.2
175.14746	7.1
177.12755	4.0
179.08539	3.3
181.10199	5.6
183.11649	17.1
185.13280	11.6
187.14859	7.5
189.12746	3.4
195.11745	6.2
195.13812	5.8
197.13322	8.4
199.14830	9.0
207.11742	4.0
209.13193	8.7
211.14807	4.7
213.16449	4.7
221.13187	3.4
223.14928	3.8
225.12738	3.9
225.16418	4.3
235.14671	4.0
237.16319	3.1
241.19644	2.7
243.21143	4.8
249.16351	3.2
258.82880	2.9
259.20605	10.8
261.22159	7.5
264.24612	2.8
267.15790	13.5
269.08124	6.4
269.17514	6.7
313.21365	2.9
333.24176	8.0
335.25757	7.8
367.22638	5.9
411.20425	3.4
413.21494	4.9
417.31293	4.5
433.30655	3.0
435.32550	9.4
438.65085	3.0
453.33862	5.3
471.34604	3.5
503.37387	3.8
509.35892	7.6
525.35480	5.5
527.37286	78.1
529.38525	4.2
539.37067	3.9
543.35999	3.5
545.38147	10.1
611.40118	2.8
653.40082	7.7
671.41351	8.1
689.42438	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
54.95053	3.3
55.01871	4.3
55.05516	28.5
57.03434	18.9
61.02911	10.9
65.03922	4.4
65.27673	3.2
67.05172	6.2
67.05508	74.8
69.03433	19.8
69.07076	28.7
71.04990	7.7
71.57297	4.9
73.02907	9.1
77.75624	3.6
79.05491	56.4
81.03413	55.6
81.07054	90.6
83.04961	14.7
83.08598	18.3
85.02907	16.2
85.06551	5.8
86.09691	7.3
91.03932	6.9
91.05480	64.8
93.07035	63.8
94.07397	4.2
95.04973	26.2
95.08608	40.6
97.02897	30.9
97.06538	8.8
97.10129	6.9
99.04423	8.3
100.28251	3.6
101.02396	4.1
105.07034	57.2
106.79967	4.1
107.04935	7.6
107.08591	36.6
109.02846	10.4
109.06499	6.3
109.10142	15.6
111.08111	4.4
117.07014	33.0
119.08577	39.4
121.06501	6.5
121.10133	31.0
123.04349	3.9
123.08048	5.5
123.11692	10.3
125.09661	3.6
127.03894	12.1
128.06224	8.4
129.05469	7.1
129.06984	25.6
131.08554	40.8
133.06477	3.9
133.10136	27.4
135.08105	5.8
135.11688	12.3
137.09618	4.9
141.06963	8.4
143.08574	26.8
145.10130	34.1
147.08046	4.0
147.11671	18.7
149.13251	12.2
155.08566	17.9
157.10121	26.1
159.11694	27.3
161.13264	7.0
163.11241	5.3
165.12744	8.0
167.08527	6.1
169.10117	16.9
171.11664	23.3
173.04478	7.0
173.09662	5.2
173.13231	12.0
175.11227	6.0
175.14911	8.1
177.12718	6.7
179.08601	4.7
181.10115	11.3
183.11659	17.3
184.07353	21.3
185.13269	14.7
187.14851	6.1
193.10210	5.0
193.12178	4.4
195.11659	9.5
195.13760	4.6
197.13252	12.2
199.14809	6.9
207.11812	4.8
209.13318	6.3
211.14876	11.2
213.16296	5.4
221.13228	5.8
221.41701	3.5
233.97826	3.6
235.13129	5.4
259.20551	7.0
261.22119	6.0
269.17340	6.6
285.16949	5.3
291.19437	4.7
333.24451	5.7
335.25873	8.1
417.31201	4.2
435.32260	12.2
509.35895	7.6
527.37360	100.0
528.37781	5.2
539.37634	5.6
545.38348	7.1
635.39264	8.6
639.39709	4.3
653.39899	8.5
671.40918	8.0
689.42432	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	689.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84427	1.5
52.36228	1.4
53.03928	3.9
55.01859	3.6
55.05515	10.7
57.03418	6.3
61.02923	33.1
65.03931	2.3
65.47538	1.4
67.05219	1.6
67.05505	16.6
69.03418	10.8
69.07054	6.3
71.04986	2.7
73.02912	10.7
75.47699	1.6
79.05492	22.9
81.03419	10.0
81.07054	33.6
83.04955	7.0
83.08607	4.6
84.04497	1.8
85.02900	40.3
86.06036	2.0
86.09707	2.4
87.04452	1.5
91.03945	21.5
91.05473	21.3
93.07037	20.8
95.04965	8.7
95.08592	12.5
97.02888	25.1
97.06509	3.4
99.04443	4.2
101.02391	1.6
103.05440	2.3
105.07024	22.3
107.04942	8.9
107.08595	11.7
109.02856	5.8
109.06516	9.3
109.10175	8.0
115.05422	1.8
117.03342	2.6
117.07010	22.0
119.04924	4.7
119.08585	21.5
121.06483	5.5
121.10126	7.8
123.08131	3.9
125.05975	2.5
127.03889	10.1
128.06200	5.0
129.07010	9.7
130.07787	2.2
131.08586	18.1
133.06508	11.7
133.10091	11.2
134.37064	1.6
135.08076	6.2
135.11671	4.8
137.05949	4.6
137.09550	4.8
141.06972	3.7
142.07748	2.9
142.12292	1.8
143.08556	7.7
145.02846	4.5
145.04945	6.4
145.06401	2.3
145.10097	26.2
147.04388	6.6
147.08029	7.2
147.11716	8.3
149.09624	3.9
155.08543	3.2
157.03163	1.6
157.06551	2.1
157.10123	16.2
159.08017	4.8
159.11696	11.7
161.09598	6.0
161.13280	3.2
163.06062	3.7
163.11136	5.3
167.07005	1.8
167.08391	2.2
169.10109	4.1
171.11656	11.9
173.09599	6.2
173.13240	3.2
175.11177	8.1
177.05446	6.1
177.12721	5.0
179.07005	1.6
181.10078	2.4
185.09569	4.1
185.13219	5.7
187.11238	3.9
189.12726	3.2
190.13516	2.3
191.10617	3.8
195.11717	5.6
197.13196	2.3
199.11116	2.1
201.12637	1.6
203.14265	2.1
205.11964	1.8
207.11742	2.2
209.13312	2.4
212.16360	1.7
215.14197	2.3
223.13356	1.7
227.17957	7.2
237.16269	5.0
245.19037	13.0
255.17468	12.2
273.18478	75.6
274.18768	2.1
291.19495	4.2
307.19055	3.2
347.22162	100.0
348.22513	3.5
365.23254	38.8
435.23441	3.1
473.25052	1.7
491.26178	2.7
498.83673	2.0
509.27197	6.4
527.28455	8.1
546.09418	1.9
584.52423	1.7
591.28784	1.9
689.36993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01875	2.5
55.05513	7.6
57.03422	3.9
61.02921	16.0
65.03941	1.3
67.05501	15.3
69.03427	7.5
69.07058	6.1
70.06597	2.1
71.01356	0.8
71.04984	2.7
71.57583	1.2
73.02902	4.7
76.26321	0.8
79.05486	14.3
81.03403	4.7
81.07048	17.0
83.04968	3.3
83.08610	2.9
84.08105	1.7
85.02893	16.9
85.06567	1.3
86.06068	3.2
91.03954	9.6
91.05476	23.1
93.07033	17.3
95.04952	4.5
95.08611	10.4
96.08118	0.9
97.02884	11.8
97.06512	4.9
97.10187	1.6
98.09727	0.7
99.04466	2.6
99.08061	1.0
103.05447	1.2
105.07022	18.7
106.07276	0.8
107.04954	3.3
107.08604	7.6
109.02866	2.0
109.06510	11.7
109.10177	1.7
111.04347	1.0
111.08077	3.5
115.03919	1.5
115.05449	2.3
116.06226	1.2
116.10727	6.0
117.06995	11.9
117.11086	0.9
119.08576	11.0
121.06490	6.7
121.10114	5.1
123.08062	4.7
123.11698	1.3
125.05981	1.5
127.03936	4.9
128.06233	5.2
129.07013	6.3
130.07794	1.6
131.08557	17.2
133.06473	11.1
133.10126	10.1
135.08057	4.3
135.11676	3.2
137.05952	2.3
137.09622	1.8
141.06981	2.6
142.07689	1.5
142.08675	2.1
143.08542	18.9
145.04988	3.4
145.06418	1.4
145.10114	16.1
147.04399	2.9
147.08040	10.7
147.11661	4.7
149.09598	3.3
149.13235	3.0
151.07552	1.4
151.11211	2.0
155.08588	2.7
157.10126	7.8
159.08076	3.4
159.11682	14.4
161.09618	10.1
163.06001	1.3
163.11136	2.5
165.06992	1.1
165.09146	2.4
165.12704	1.2
167.06999	1.6
167.08427	1.2
169.10060	4.1
171.08110	1.6
171.11667	5.4
173.09631	3.4
173.13234	1.2
175.11128	4.3
177.05466	2.9
177.12752	9.0
181.10132	3.4
183.11700	1.6
185.09639	2.3
185.13309	2.3
187.11224	1.4
189.12837	2.0
195.11668	5.2
212.16469	10.7
213.12738	1.8
213.16757	5.6
213.95575	0.9
227.17973	3.9
229.14423	1.7
230.17482	3.5
231.17868	2.2
237.16331	6.1
245.19038	2.5
254.17455	1.3
255.17453	14.9
271.71872	1.0
273.18503	33.5
287.10397	2.2
291.19489	2.1
327.23373	1.0
339.09720	1.4
347.22144	100.0
348.22507	1.7
365.23221	6.9
367.09293	1.0
407.24142	1.1
422.29095	1.6
423.29294	3.8
441.30530	1.5
479.23065	2.7
491.26056	1.2
509.27582	2.0
527.15729	1.1
527.28162	1.4
616.31665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05522	0.6
57.03429	0.7
57.18396	0.6
63.57460	0.6
65.03937	2.3
67.05499	2.2
69.03432	2.0
69.07071	1.6
70.66611	2.1
71.04971	0.9
72.08169	0.7
79.05492	2.4
81.03402	3.6
81.07057	1.9
83.04994	0.9
85.02907	3.5
86.06075	2.0
88.03944	0.6
91.05462	8.2
93.07057	0.8
94.04169	1.5
95.04960	3.5
95.48696	0.6
96.08147	0.9
97.02911	0.9
97.06542	1.8
98.09687	0.8
99.04421	0.7
103.05464	18.6
105.03396	0.8
105.07029	3.1
107.04950	3.7
107.08554	0.6
108.02103	0.9
109.02888	1.1
109.06505	1.7
109.94231	0.6
111.04445	2.0
115.05450	4.5
116.10728	3.3
117.06998	3.2
118.04147	3.5
119.04950	6.9
119.08547	1.2
121.02913	0.8
121.06505	2.2
122.03631	3.9
123.04433	1.9
125.06004	2.0
127.03923	0.9
129.06996	1.9
130.04149	0.9
131.04926	30.4
132.05777	1.0
133.02856	1.7
133.06471	4.2
135.04460	0.9
135.08060	2.3
137.05969	65.8
138.06348	1.7
139.96136	0.7
141.05478	2.5
142.08609	1.2
142.62640	0.7
143.04910	2.0
143.08617	0.7
145.06479	4.6
146.03581	1.7
147.04382	6.5
147.08044	1.5
147.11667	0.6
148.05173	7.4
149.00531	1.4
149.05949	2.1
150.01331	0.8
151.03902	84.2
151.04970	5.0
151.07552	1.8
152.04305	1.0
153.05455	2.4
156.48033	0.7
157.06467	1.2
159.04527	0.6
159.08087	1.0
160.05165	1.4
161.00580	0.8
161.05974	4.3
161.11360	0.6
162.06784	1.1
163.07539	21.5
165.05534	3.7
165.06677	0.8
167.07045	7.5
171.04382	1.8
171.06544	1.1
171.73067	0.6
173.05992	3.9
173.81436	0.7
175.07584	5.6
176.04675	2.9
177.05463	3.1
177.09148	1.5
178.00803	1.5
179.07028	5.7
181.04959	17.5
181.08543	0.8
187.07550	2.7
188.08409	0.7
189.05508	1.2
189.09103	1.6
190.06236	1.0
191.07024	100.0
192.07417	2.0
193.03194	15.0
193.04901	1.6
193.08615	2.8
195.06613	0.9
201.05347	0.9
203.06950	3.5
205.06721	1.0
205.08524	3.4
207.08200	0.7
207.10107	1.1
209.08095	5.0
212.16467	9.8
217.06673	0.8
217.08601	1.4
219.10115	2.3
223.09697	1.1
230.17566	2.0
231.06563	1.3
233.08069	3.4
234.06694	1.1
235.07552	1.2
235.09563	3.4
236.16383	1.0
237.09241	1.2
245.07919	1.0
251.06960	0.8
254.17531	2.2
259.09552	1.1
262.06329	1.0
263.06598	1.2
263.09161	16.4
265.08566	2.1
267.10117	2.1
272.18439	2.4
277.08569	2.0
282.07910	1.5
293.08163	1.0
295.09555	1.1
297.11029	1.2
300.09018	1.3
309.11197	1.4
325.10800	1.5
326.23108	0.8
327.12311	3.0
329.13794	2.0
337.10797	1.7
341.14056	1.2
351.12149	1.1
355.11746	9.6
357.13284	1.6
359.14694	1.7
369.13406	3.3
387.14398	31.3
422.28897	2.0
440.29791	1.4
460.21503	1.8
478.22867	1.4
517.18427	2.9
549.20959	1.1
591.06519	0.8
646.33643	0.7
688.35864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01863	1.4
57.03428	0.5
57.95608	0.6
65.03927	2.0
67.05490	2.7
68.99819	0.7
69.03423	1.9
69.07055	1.5
69.54520	2.1
69.54948	2.6
70.06567	0.9
71.04987	0.7
75.75999	0.5
79.05498	3.2
81.03412	3.3
81.07052	1.5
81.83380	0.5
82.04204	0.6
83.04984	0.8
85.02906	3.4
85.62061	0.6
86.06049	2.4
86.09707	0.7
91.05479	7.2
94.04175	1.7
95.04965	3.5
95.08591	1.1
96.08163	1.4
97.02894	1.4
97.06524	1.1
99.04459	0.7
103.04789	1.2
103.05464	18.4
105.01924	0.9
105.03381	1.3
105.07014	2.8
106.30936	0.7
107.04945	3.4
108.02089	1.4
109.02897	1.1
109.06493	1.5
110.07113	0.7
111.04462	1.2
115.05457	3.5
116.06208	0.7
116.10734	2.8
117.06998	3.0
118.04144	4.4
119.04957	7.5
119.08549	1.2
121.06488	2.0
122.03633	4.6
123.04408	2.6
125.05978	1.9
127.03942	1.5
128.06224	0.7
128.59772	0.6
129.06979	1.5
130.04160	0.9
131.04926	32.2
132.05704	1.2
133.02859	2.4
133.06470	4.1
133.10143	0.9
134.03609	0.9
135.08022	2.0
137.05974	62.9
138.06252	1.0
141.05482	2.3
142.02614	0.7
142.08658	1.3
143.04913	1.9
144.05672	0.7
145.06474	4.7
146.03627	1.7
147.04405	8.2
147.08049	1.1
147.11688	1.2
148.05197	8.3
149.00571	1.2
149.05936	2.3
149.11996	0.7
151.03905	77.7
151.04967	3.9
151.07555	2.3
152.04362	1.1
153.05447	1.7
155.06029	0.7
157.06470	0.9
159.08084	1.1
160.05215	1.5
161.05968	3.8
162.06793	0.6
163.07538	22.3
165.05455	2.8
167.07039	8.9
171.04343	1.3
173.05975	2.7
175.07542	5.8
175.11203	0.8
176.04669	2.4
177.05463	2.6
177.07697	0.9
177.09125	1.1
178.00809	1.6
179.07062	4.1
181.04958	18.0
187.07549	2.0
189.05498	1.3
189.07112	0.7
189.09145	1.5
190.06238	0.9
191.07028	100.0
192.07475	2.2
193.03181	14.4
193.04933	1.1
193.08611	1.9
193.12253	0.8
195.06416	1.4
201.05411	0.9
203.06987	3.9
205.06830	0.7
205.08562	3.4
206.07388	0.7
207.08156	1.2
207.10204	1.7
209.08101	3.7
211.07497	1.3
212.16479	6.0
213.05528	0.7
217.08572	1.1
219.06415	1.0
219.10164	2.1
223.07527	0.8
223.09615	1.5
230.17484	2.3
231.06567	1.1
231.97765	0.7
233.06107	0.6
233.08037	4.0
234.06648	0.8
235.07565	0.9
235.09572	3.1
237.09093	2.1
239.10513	0.8
245.08263	0.9
249.09135	1.3
254.17581	1.3
259.09601	0.6
263.09149	15.9
265.08664	1.8
267.10303	1.1
269.08008	0.7
275.26187	0.7
277.08575	1.5
278.09341	0.8
279.10025	0.6
282.07956	1.8
294.08734	0.7
295.09579	2.0
297.11127	1.5
300.08981	0.7
305.07877	0.8
307.10217	0.6
309.11261	1.2
325.10742	2.1
326.23221	1.4
327.12262	3.9
329.13754	2.0
337.10699	1.7
339.12390	0.7
341.13950	1.4
351.12500	1.7
355.11786	11.4
357.13089	2.5
359.15060	1.1
369.13232	3.1
387.14359	31.8
388.14703	1.1
422.28940	2.6
440.30145	0.8
460.22189	0.7
478.22791	1.4
517.18396	2.5
521.65076	0.7
549.20679	0.9
615.14844	0.7
616.71692	0.6
688.35583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01859	4.9
55.05510	7.3
57.03419	3.2
57.07058	2.9
61.02916	1.9
61.34856	1.1
64.71526	1.2
65.03915	1.3
67.05502	11.2
69.03426	11.8
69.07068	13.3
71.04984	3.1
71.57548	1.8
71.57951	1.4
73.02896	2.9
73.84066	1.1
75.96172	1.1
79.05476	7.6
81.03418	17.0
81.07054	21.1
83.08624	6.4
84.68448	1.1
85.02900	24.3
87.00832	12.0
91.03935	1.8
91.05468	9.4
93.07040	16.3
95.04967	1.8
95.08606	34.1
97.02895	14.7
97.10150	4.2
99.04427	5.0
105.01868	7.0
105.07024	18.1
107.07867	1.8
107.08587	28.4
109.02875	17.6
109.06544	1.9
109.10158	24.3
111.04447	1.6
115.03931	1.8
115.05388	1.0
117.01812	1.5
117.06988	3.3
119.08575	27.8
121.10149	22.1
123.04360	1.1
123.07993	1.4
123.11718	9.1
125.06003	1.6
125.09598	1.2
127.03912	22.1
129.01811	1.6
129.06953	1.6
131.08560	6.0
133.10127	27.3
135.08046	2.0
135.11667	18.0
137.05890	1.6
137.13240	1.8
143.08572	3.0
145.04936	7.2
145.06459	1.2
145.10117	7.1
147.07974	1.7
147.11673	24.8
149.09666	1.4
149.13268	11.5
153.09129	6.0
157.10114	3.4
159.02895	7.3
159.08112	1.2
159.11705	6.4
161.13266	13.0
163.11116	1.3
163.14790	8.9
165.09181	2.1
167.10658	3.0
169.10136	1.1
171.11668	1.7
173.13226	3.2
175.14850	8.1
177.16391	6.3
179.10699	1.9
181.12355	1.0
183.11603	1.0
185.13240	2.5
187.14827	8.4
189.14799	0.9
189.16364	35.8
191.17943	85.1
193.12163	1.5
197.13373	1.4
199.14856	2.6
201.16356	13.7
203.00589	1.0
203.17950	100.0
205.19501	11.7
207.17328	1.3
213.03893	1.5
213.16316	3.9
215.17941	4.5
217.19534	6.6
221.18958	5.5
227.17960	2.5
229.19528	2.1
231.05020	4.0
231.17375	2.5
235.16881	4.6
247.16901	4.2
249.18484	28.8
311.20178	1.6
347.90274	1.3
391.33597	1.4
393.35101	4.9
403.33630	1.1
421.22086	1.5
435.35995	1.2
437.22845	1.2
439.23199	4.6
439.35724	14.1
461.28662	1.3
470.49103	1.0
533.13995	1.3
641.40417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61197	0.7
53.03928	1.5
55.01875	0.9
55.05511	9.9
57.03186	1.1
57.03437	12.7
57.07053	2.1
59.04996	3.8
61.02911	4.1
65.03925	2.5
67.05504	91.2
69.03424	1.4
69.07059	7.0
69.40540	7.0
69.91090	0.7
71.04982	2.6
79.05061	1.4
79.05491	17.4
81.07058	34.8
83.08617	8.4
85.02907	3.9
85.06525	2.8
85.46457	0.7
91.03962	1.2
91.05474	13.0
93.06474	1.6
93.07037	22.9
94.82581	0.8
95.04962	1.8
95.08606	24.4
97.02872	2.9
97.06526	1.2
97.10165	1.4
105.06467	0.7
105.07036	7.2
107.08601	14.6
109.10153	72.6
110.10500	1.1
111.08068	3.0
117.06989	2.0
119.08584	7.9
121.10141	9.3
123.11697	2.3
125.09598	1.3
131.08594	5.2
132.91660	0.8
133.10126	3.2
135.11700	7.1
137.09619	2.9
145.10127	3.7
147.11642	2.8
149.13249	4.5
155.10643	4.6
159.11668	2.5
161.13258	1.9
163.14859	2.4
173.11765	23.0
173.13261	4.1
175.14738	0.8
177.16415	1.2
179.18428	0.7
187.14871	1.9
189.11182	0.9
201.16478	0.9
227.12764	4.9
229.14349	100.0
230.14629	1.7
243.21127	4.7
261.22150	17.1
288.97345	0.9
299.23276	1.0
317.24869	4.1
333.24347	0.8
335.25784	73.0
336.26099	2.7
379.29816	1.5
397.31088	1.1
415.32263	1.0
471.34219	1.7
489.35724	39.4
490.35986	1.9
507.36404	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05512	13.4
57.03437	11.5
57.07083	2.2
57.93356	0.7
59.04992	4.1
61.02927	5.2
65.03941	2.8
67.05504	100.0
68.05815	1.1
69.03442	1.0
69.07068	7.5
69.90646	4.0
71.04995	3.2
71.47714	0.8
73.02929	0.8
79.05489	22.5
81.07056	36.2
83.04980	1.2
83.08627	6.8
85.02907	4.2
85.06551	2.3
91.03959	1.8
91.05476	13.8
93.07040	25.5
95.04972	2.5
95.08606	24.4
97.02898	2.1
97.06511	0.8
97.10184	2.3
99.08098	1.8
105.07026	6.3
107.08601	12.2
109.06514	0.9
109.10156	69.7
110.10493	1.7
111.08090	3.4
117.07048	3.4
119.08569	9.4
121.10146	10.8
123.11724	3.4
131.08577	5.4
133.10139	4.1
135.11685	6.4
137.09653	1.9
137.13268	1.6
145.10117	3.7
147.11731	3.4
149.13220	3.8
155.10721	3.1
159.11746	3.2
161.13275	2.8
163.11261	0.9
163.14871	2.7
173.11769	17.0
173.13283	2.5
175.14938	1.2
187.14940	1.8
227.12849	2.0
229.14348	59.9
230.14742	2.1
243.21120	4.3
255.56940	0.8
259.89206	0.8
261.22110	13.6
317.24854	3.2
335.25787	59.7
336.26334	2.6
351.25385	0.7
379.30392	0.9
397.31006	1.0
489.35736	40.0
490.36386	2.4
507.37057	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	685.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01857	3.6
55.05513	13.5
57.03422	3.7
57.07057	3.4
61.02911	5.2
66.33582	1.9
67.05496	22.1
67.22938	2.4
68.99786	5.2
69.03429	25.6
69.06734	2.3
69.07064	17.5
70.06322	1.9
70.06589	21.5
71.04991	4.5
71.06921	3.5
71.56998	4.3
79.05497	16.8
81.03426	30.3
81.07052	38.7
83.04958	5.6
83.08601	7.9
84.08143	2.5
85.02909	31.5
87.00835	14.1
91.05456	19.6
91.21243	2.6
93.07047	33.8
95.04946	9.5
95.08600	64.5
97.02898	18.8
97.10168	3.7
99.04439	10.5
103.05452	2.7
105.01860	7.6
105.07029	47.0
107.04931	3.2
107.08594	44.1
109.02873	29.4
109.06525	3.5
109.10146	38.6
111.04400	5.5
111.08067	6.3
115.03907	2.4
117.07040	6.9
119.08578	75.3
120.08081	12.9
121.06510	3.2
121.08461	3.0
121.10137	33.4
123.11689	7.8
127.03911	34.1
129.01810	7.7
129.05431	2.3
129.06950	2.4
131.08546	15.4
133.10123	58.3
135.11661	14.9
137.05939	3.3
139.07518	2.9
142.07726	4.4
143.08559	8.9
145.04922	7.6
145.10100	33.5
147.02870	3.1
147.11681	43.4
149.13271	29.5
151.04012	2.8
157.10114	14.2
158.10838	3.6
159.02922	7.8
159.11687	31.3
161.09554	3.3
161.13258	33.9
163.14856	20.2
167.06982	2.5
169.10136	5.1
171.11613	11.6
173.13261	21.3
175.14819	26.3
177.16377	20.7
183.11636	5.5
185.13297	6.4
187.14841	30.8
188.15024	2.1
189.16379	100.0
190.16733	2.8
191.07068	2.7
191.17931	14.9
195.11655	4.7
197.13295	5.8
199.14816	12.4
201.16348	36.2
203.17947	79.4
204.18179	2.8
205.15874	6.1
205.19460	6.8
207.17361	4.4
209.13051	3.6
211.14873	6.8
213.03909	4.3
213.16373	14.3
215.14612	2.4
215.17917	18.9
217.15919	3.3
217.19589	5.6
219.17465	5.2
223.14978	2.6
225.16380	6.2
227.17914	5.9
229.15871	4.4
229.19490	6.0
231.04941	6.7
231.17429	4.3
233.18877	2.9
235.16956	3.7
239.17953	3.7
241.19408	3.8
243.21037	2.7
247.16837	5.8
249.18547	6.4
255.21074	2.7
267.20917	2.9
281.22556	4.4
283.24396	3.0
285.87564	2.4
299.09207	2.9
311.20056	3.3
317.08774	2.8
335.27173	2.4
343.26202	4.7
356.19559	3.4
357.19852	3.7
391.33560	18.1
409.34604	9.7
429.10297	2.4
435.32880	2.9
437.21582	4.3
437.34140	48.9
438.34525	3.4
545.36523	3.6
567.02441	2.6
639.38831	6.2
649.37164	3.0
667.19006	2.3
667.38245	5.6
685.40686	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	684.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.6
67.12469	0.4
70.06588	92.6
70.48516	0.9
70.48904	0.9
71.06915	1.1
74.02445	0.8
84.08134	3.6
91.05472	3.9
93.07047	2.2
95.04984	1.2
97.07620	0.7
98.06048	1.8
103.05463	6.7
109.07658	1.7
112.07575	1.1
115.08672	2.6
118.06505	0.5
119.04943	1.0
120.08098	100.0
121.08456	1.0
125.07103	1.2
126.05521	1.0
128.62968	0.4
130.06508	1.1
131.04968	0.6
132.08104	0.5
136.07582	1.8
137.07088	7.7
138.12773	8.6
146.06013	0.5
147.04413	0.6
149.07190	0.5
152.08206	1.7
160.07607	1.0
165.05426	0.8
165.13921	2.0
172.11137	0.5
175.08771	0.6
177.09131	0.7
181.13483	1.1
182.08148	1.2
186.12808	0.7
187.12411	0.6
189.05473	0.6
189.09085	4.6
191.11876	1.4
199.12347	0.7
202.12268	8.7
209.12846	2.8
214.12418	0.8
215.11794	0.8
217.13351	9.7
220.14539	0.8
227.11842	1.0
231.10156	4.9
231.14975	0.5
244.14465	1.1
245.12869	4.1
248.12827	5.9
259.14359	0.9
265.15573	1.3
275.14111	0.7
276.12393	0.5
284.14175	0.4
287.14084	0.8
312.20633	2.9
329.14871	3.7
338.18665	5.7
349.19205	0.6
356.19662	56.0
357.20090	1.7
395.19678	3.3
412.22366	1.0
423.19092	0.6
440.21884	2.8
468.21210	2.9
503.26248	0.5
509.27682	1.8
519.26251	1.0
537.27045	10.5
666.32874	1.2
682.73706	0.5
684.33862	23.7
685.34937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01865	5.2
55.05507	14.1
56.05844	5.1
56.90626	1.2
57.03425	3.8
57.07054	1.4
61.02921	2.8
68.99776	1.6
69.03429	11.6
69.07059	2.3
70.06599	2.7
71.05029	3.1
73.02911	2.3
79.05505	4.9
81.03413	24.6
81.07056	3.2
82.06580	2.4
83.04990	2.2
83.06896	2.3
83.08605	9.9
84.08133	1.9
84.08952	6.0
85.02905	32.8
87.00822	12.7
91.05474	2.9
93.07044	2.3
95.04970	4.7
97.02882	16.6
99.04456	3.7
100.07635	3.2
100.10587	2.9
100.11252	55.7
101.07973	1.7
101.10970	1.3
101.11578	30.5
102.11898	6.1
103.05466	3.3
105.01847	8.5
105.07008	2.4
107.04950	9.8
107.08601	2.6
108.04494	2.5
109.02875	10.5
109.10186	1.5
110.06098	2.1
111.04466	5.2
112.07629	1.7
115.05441	7.9
117.01887	1.1
117.07003	17.8
119.08593	5.3
123.04431	4.9
124.05202	3.0
125.05988	2.4
127.03909	20.2
128.06245	1.7
128.07104	3.9
128.63521	1.4
129.07130	1.2
131.08563	3.7
133.06494	1.6
135.11681	1.7
137.06000	3.5
139.08688	2.2
140.08984	1.6
141.07082	1.9
143.04851	1.8
144.05669	3.0
145.05008	6.7
145.06503	42.4
145.07658	2.1
147.08017	2.3
147.11674	1.9
149.06006	1.5
152.04691	2.2
155.06023	3.1
156.05690	8.4
157.06528	2.9
159.02892	6.4
159.08044	7.9
160.05258	1.8
161.05969	3.1
163.03871	1.4
167.07033	55.8
172.05304	1.5
173.05977	66.9
175.07584	2.9
177.05420	1.6
182.15408	12.2
183.15759	12.2
184.05232	2.8
184.16037	7.2
185.16310	3.1
187.07492	7.7
190.00430	1.4
190.06242	44.7
191.07022	3.2
191.08635	1.9
193.08586	2.2
202.06210	6.3
203.06969	8.1
205.08591	100.0
207.06433	1.8
209.16470	8.2
210.14934	9.2
210.16867	10.6
211.15289	12.3
211.17151	7.0
212.15468	8.3
212.17337	2.4
213.15834	2.9
215.07153	3.2
217.08589	49.1
217.10632	2.6
219.08209	2.9
219.10272	3.9
221.19000	2.3
223.09720	4.0
227.19676	2.3
229.76794	2.0
230.16385	1.7
231.04991	2.7
235.09627	26.8
235.11798	1.8
247.09729	8.4
248.08151	1.8
263.10703	1.7
264.07846	1.4
265.10715	27.2
269.08167	3.0
271.09769	2.5
276.08090	1.6
279.10440	2.4
290.09381	1.9
291.10162	2.3
307.09775	2.4
308.10529	2.3
315.08603	9.1
323.12833	2.6
327.28555	1.3
328.28549	2.9
330.11063	12.4
331.11871	3.1
339.12366	2.4
339.23889	1.6
351.12222	5.9
351.24689	3.2
371.15161	2.9
383.14905	16.0
401.15955	16.9
606.57251	1.4
665.51385	13.2
666.52100	2.1
683.52258	79.7
684.52533	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	683.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51468	0.3
53.03936	0.8
54.70194	0.3
55.01876	0.4
55.05510	1.8
57.07060	0.4
60.04734	0.3
60.86577	0.3
61.02919	0.3
65.03929	0.5
67.05507	1.7
69.03414	1.3
69.07056	2.7
71.04987	0.5
71.11991	0.3
71.12332	0.5
79.05489	1.1
81.03406	1.3
81.07056	2.4
83.04994	0.3
83.08615	1.9
85.02906	2.1
87.00829	1.3
91.05471	6.5
93.07036	1.7
95.04961	0.5
95.08608	2.5
97.02861	1.7
97.06521	0.4
97.10183	1.8
99.04469	0.5
105.01855	1.2
105.07032	1.0
107.05009	0.3
107.08587	1.2
109.02889	1.9
109.06487	0.4
109.10143	1.1
111.08075	0.5
111.11713	0.5
119.04937	16.0
119.08574	0.8
121.10153	1.4
123.04423	0.9
123.08025	0.4
123.11674	0.4
125.13264	0.4
127.03921	2.5
128.65663	0.3
131.08589	0.4
133.10124	1.0
135.11690	1.2
137.05852	0.4
137.09612	0.5
137.13298	0.5
139.11179	0.3
142.95781	0.3
143.08609	0.3
145.04948	1.0
147.04405	100.0
147.11642	0.8
148.04730	0.7
149.13168	0.3
151.11215	0.4
161.13254	0.3
165.05475	1.6
175.14801	0.3
213.03798	0.6
213.05644	0.4
217.19499	1.5
231.06703	4.2
235.20560	2.2
243.84804	0.3
249.06075	0.3
253.21645	1.9
260.48279	0.3
271.22690	0.4
273.07578	0.9
275.09711	0.3
293.47244	0.3
377.08640	0.6
395.09668	2.7
413.10846	3.8
471.21701	0.9
668.51837	0.3
683.35516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05518	7.9
57.07053	1.9
64.14941	1.2
67.05492	5.8
69.03420	5.5
69.07072	9.7
71.57254	1.9
77.19584	1.4
79.05486	5.6
81.03405	5.1
81.07067	10.0
83.04977	1.5
83.08614	6.4
85.02909	10.4
87.00816	5.4
91.05465	11.3
91.05846	1.1
93.07043	4.8
95.04969	2.4
95.08609	9.7
97.02909	6.9
97.06493	2.1
97.10188	7.4
99.04453	4.2
105.01865	5.4
105.07034	4.7
107.08569	4.4
109.02862	5.2
109.10141	5.4
109.85390	1.4
111.11723	2.5
119.04944	20.1
119.08579	4.4
121.10115	3.8
123.11737	2.0
127.03946	10.6
131.08542	2.7
133.10139	3.9
135.11665	5.7
137.05890	1.6
145.04982	2.7
145.10112	2.0
147.04404	100.0
147.11676	3.0
161.13258	3.8
165.05469	3.7
165.12746	1.5
175.14821	1.9
177.05418	1.8
217.19563	5.3
235.20557	9.7
253.21680	14.4
271.22684	5.1
394.60577	1.7
395.09497	6.4
683.35449	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
55.05497	0.2
57.03410	0.2
67.05490	0.5
68.99780	0.5
69.03412	0.2
70.02083	0.8
71.04970	0.2
79.05484	0.3
81.03413	0.3
81.07044	0.6
83.04990	0.2
83.08605	0.1
89.03925	0.2
91.05466	0.9
93.07042	0.3
95.08582	0.4
98.21542	0.2
105.07010	0.2
107.08584	0.3
109.10140	0.3
115.84164	0.1
117.03433	0.1
119.04941	1.0
119.08596	0.3
120.81296	0.1
121.10133	0.2
127.03929	0.2
128.06245	0.2
129.07004	0.2
131.08517	0.3
133.10089	0.3
136.06183	0.1
139.03937	0.2
139.05421	0.4
141.18674	0.1
144.05673	0.4
145.02823	0.4
145.06497	0.3
145.10126	0.3
146.03621	0.3
147.04402	2.5
147.11761	0.2
151.03940	0.2
155.04861	0.8
156.05652	0.3
159.07970	0.2
163.03867	0.1
167.03510	0.2
167.04892	1.8
168.05605	0.1
170.03625	0.5
171.04443	0.7
171.07996	0.2
175.03897	1.1
180.88846	0.1
184.05199	0.6
185.05931	0.1
186.06779	0.2
187.07491	0.6
195.04361	1.2
196.05104	0.2
197.06000	0.3
199.07594	0.6
207.06540	2.2
212.04680	2.2
213.05331	0.3
214.06218	0.2
215.18031	0.2
223.03911	0.7
225.05511	0.4
227.06978	1.4
233.19048	0.2
240.04163	6.3
242.05742	0.5
251.03152	0.2
251.20023	0.3
253.04938	1.4
254.05617	0.2
255.06503	8.1
256.06836	0.2
257.08090	1.7
267.06375	0.2
268.03650	6.2
269.04031	0.2
269.21011	0.4
270.05200	1.7
283.05972	8.4
285.07462	0.3
298.04706	6.3
299.05048	0.2
313.07028	100.0
314.07346	1.8
343.87878	0.1
496.57269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1657
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03934	0.6
55.01858	0.3
55.05486	0.4
57.03433	2.1
58.55600	0.2
59.04972	0.3
60.93740	0.2
61.02913	0.4
65.52513	0.2
68.99799	0.7
69.03078	0.3
69.03425	3.7
70.06577	0.8
71.04597	0.6
71.04987	11.1
73.02924	0.3
75.04463	0.5
76.65733	0.3
79.05476	0.3
81.03413	3.3
81.07027	0.3
83.04963	0.8
84.08126	0.4
85.02898	12.5
87.00813	1.7
90.72914	0.2
95.04975	0.6
97.02888	4.0
99.04442	1.0
105.01833	0.8
107.04909	0.6
109.02876	1.5
111.00803	0.5
111.04428	1.0
119.04943	0.3
121.02849	2.8
127.03907	3.2
129.05464	2.6
130.96742	0.2
133.02840	0.4
133.06508	0.3
135.04405	0.2
137.02333	0.5
137.05956	0.8
145.04938	0.5
145.06509	0.4
147.04381	1.0
147.06447	0.3
153.01819	3.3
157.06384	0.3
159.02893	1.4
165.01787	1.3
167.06941	0.4
175.04002	0.2
177.05531	0.3
181.04947	1.1
183.02882	0.6
183.06589	0.4
184.78711	0.2
185.05933	0.5
187.07614	0.4
191.61438	0.3
213.05479	0.9
229.79189	0.3
231.04878	3.6
241.04997	1.1
243.06224	0.3
258.05219	1.0
259.05905	0.7
286.04514	0.3
287.05472	100.0
288.05817	2.9
299.05438	1.1
329.06464	1.1
353.06390	0.5
357.19128	0.3
359.09698	0.3
365.06757	0.6
381.70288	0.3
395.07657	0.5
397.08969	0.6
403.13895	0.4
453.09341	0.3
501.66907	0.3
535.10669	0.5
650.10089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.05497	16.3
57.03431	11.6
61.02928	23.9
63.48523	2.8
67.05500	55.2
69.07052	11.1
69.98528	5.1
69.98927	17.2
73.02901	8.0
79.05495	40.6
81.03406	5.4
81.07053	76.0
83.08624	7.5
85.02907	34.1
85.06563	3.6
91.03985	22.9
91.05494	27.6
93.07046	57.1
95.04973	6.0
95.08048	6.4
95.08606	67.3
97.02888	15.4
97.06538	6.1
97.10197	4.1
105.07030	23.6
107.08596	39.5
109.09447	4.2
109.10159	35.1
117.07021	8.5
119.08596	13.8
121.10147	47.5
123.11701	17.9
127.03920	8.8
131.08559	16.7
133.09207	3.6
133.10080	17.9
135.11682	34.4
135.63817	3.1
136.06184	5.0
137.13208	3.3
145.04965	13.6
145.10095	24.4
147.11653	16.2
149.13275	22.5
159.11700	18.9
161.13228	5.0
163.06046	17.5
163.14825	7.4
173.13268	14.5
189.16449	3.0
201.16362	3.8
219.21072	4.7
229.19502	41.2
247.20569	100.0
265.21655	5.9
295.26883	3.1
321.24222	35.0
339.25238	45.9
364.78375	3.4
483.29459	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	680.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
61.48601	1.0
67.05505	9.7
69.07064	8.4
79.05479	5.9
81.07056	21.2
83.08615	2.9
84.40096	1.3
85.02895	7.1
91.05446	6.8
93.07041	13.4
95.01320	9.5
95.04945	1.4
95.08604	41.7
97.02878	1.9
97.06528	2.0
97.10170	2.2
98.21603	2.6
100.52032	1.1
105.07019	22.9
107.08599	24.9
109.06516	1.1
109.10155	20.1
111.08078	2.6
113.02346	1.3
117.06996	2.3
119.08575	38.7
121.06512	1.3
121.10144	20.7
123.08044	2.1
123.11703	7.8
129.06992	1.6
131.08545	10.6
131.46078	1.1
133.10117	32.1
134.10783	1.2
135.08029	2.1
135.11679	12.1
136.06140	1.4
137.13354	1.3
141.01807	15.1
143.08508	3.3
145.10127	26.2
147.04385	1.8
147.11673	21.0
149.13251	12.9
153.09109	2.4
157.10159	3.8
159.11703	14.8
160.12486	2.1
161.09573	3.1
161.13243	19.6
163.14796	18.3
165.16417	1.5
171.11676	2.5
173.13264	12.3
174.13814	1.3
175.11279	1.8
175.14815	26.9
177.16396	15.8
181.15883	1.8
183.11646	2.0
185.13260	2.2
187.14813	53.4
189.16370	59.7
191.14326	6.5
191.17935	5.2
193.15887	2.0
199.14774	3.7
201.16374	31.8
203.17950	21.6
205.15895	1.3
205.19608	1.5
207.17441	6.6
209.85907	1.2
211.14728	2.3
213.16377	2.9
215.14395	1.4
215.17923	5.9
217.15923	2.2
219.17447	1.7
221.15410	7.9
225.16420	2.1
227.17899	4.3
229.16052	1.7
229.19524	3.5
229.39722	1.6
231.17406	2.3
233.15402	4.3
235.16940	8.0
239.17947	1.8
241.19435	3.7
247.16933	10.3
247.20595	1.7
249.18509	7.1
261.18460	5.4
262.28604	1.3
267.17987	1.3
267.21045	2.7
275.19824	2.7
281.22589	1.9
313.07135	9.3
327.23218	2.1
341.24783	2.1
372.97360	1.3
377.31940	8.9
390.17130	1.3
395.33041	24.8
397.34619	3.8
405.31482	12.0
423.32553	100.0
424.33142	2.4
425.33884	2.2
428.25394	1.3
433.31201	2.0
441.33606	57.8
442.33728	1.7
451.32071	12.1
452.19086	1.3
469.33124	26.8
581.34503	5.6
599.35480	1.6
609.33185	1.3
627.34399	2.5
645.36664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21339	1.6
67.05496	5.8
69.03426	1.6
69.07088	2.1
71.57661	2.1
71.58060	2.1
79.05486	3.3
81.03410	1.5
81.07055	6.2
83.04955	2.0
83.08596	2.0
86.09698	3.2
88.69089	1.3
91.05477	4.0
93.07050	4.9
95.04979	2.4
95.08595	2.8
97.02879	2.1
97.06563	1.7
102.12289	1.4
105.07038	1.7
107.04966	2.1
107.08603	3.3
109.10142	2.4
117.07095	1.8
119.08604	1.6
122.47528	1.5
125.00018	1.7
125.99245	1.6
131.08588	3.0
132.15936	1.3
133.10165	2.1
136.54335	1.4
145.10089	1.6
149.09633	1.5
157.10118	2.3
160.76468	1.4
184.07350	10.2
207.89153	1.5
243.08942	1.7
269.17181	1.4
273.55176	1.3
306.44211	1.8
443.21146	1.8
679.31189	100.0
680.31805	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	679.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
56.96577	2.3
67.05500	5.8
69.03421	3.9
69.07065	2.4
70.06584	4.9
71.04992	3.3
76.49876	2.0
77.09227	1.9
79.05486	7.1
81.03422	4.6
81.07049	6.8
82.06547	3.2
83.08601	5.9
85.02903	7.3
86.09705	4.3
91.05470	6.7
93.07041	9.3
94.06557	11.0
95.04950	5.0
95.07343	6.2
95.08608	5.0
96.08113	17.3
97.02858	3.3
97.06521	4.4
100.11241	16.6
103.05511	2.5
105.07056	2.9
106.06554	6.2
107.04915	2.2
107.08609	2.8
108.04489	3.7
108.08115	22.3
110.06058	3.4
110.09669	25.8
111.04450	3.1
112.07590	1.9
118.06470	2.5
119.08599	4.3
120.04453	5.2
120.08088	22.5
121.06522	2.2
122.06035	10.4
124.07587	14.9
131.08549	2.2
132.08089	4.2
133.10133	3.6
134.06079	3.0
134.09682	2.7
136.07578	28.1
137.05991	6.2
138.05469	3.7
138.09134	40.5
144.04419	4.9
145.02835	6.8
146.05989	28.9
147.04393	5.7
148.07578	16.1
150.09154	14.0
152.07115	18.2
158.05968	2.5
160.07503	2.6
162.05511	4.2
162.09152	3.2
164.07033	12.2
165.78532	2.1
166.08636	86.2
167.07039	3.4
172.03929	20.0
174.05409	2.7
176.07043	3.9
177.05470	7.7
182.08063	2.6
182.15398	4.6
190.04958	22.3
198.11481	4.9
204.06549	29.1
209.10600	3.2
209.16364	4.2
210.11511	5.1
210.14908	6.9
211.12347	10.2
212.12868	3.2
213.08900	3.4
214.80811	2.2
218.08076	4.4
220.11964	2.4
223.12337	6.6
224.12895	2.2
225.10249	8.1
225.13785	4.2
226.11037	7.3
227.11763	8.9
235.08704	3.7
236.09470	4.8
237.05476	2.8
237.10202	11.8
238.10992	12.0
239.11766	16.8
240.12593	3.3
241.09679	3.9
241.13377	3.2
243.11342	3.0
244.50508	2.0
246.07439	3.4
248.09431	3.3
249.10213	16.2
250.10950	10.6
251.08281	3.0
251.09076	3.3
251.11719	23.1
252.12447	7.4
253.04858	4.1
253.09752	3.4
253.13364	11.0
254.05727	4.6
256.12064	6.5
257.12845	4.2
263.11740	27.7
264.08768	6.4
264.12549	8.4
265.09723	7.6
265.13333	20.0
266.10391	8.2
267.11313	18.8
267.13889	3.1
269.08069	83.5
269.12399	10.2
270.08386	4.9
271.10828	2.7
271.14377	3.5
273.12271	5.4
276.08475	2.7
277.09738	4.3
278.10495	4.4
279.11240	34.7
280.11911	5.9
281.12848	16.6
282.09903	3.0
283.10791	7.9
284.11621	5.4
285.12311	22.4
287.13904	4.9
291.11295	25.0
292.12076	6.2
293.12778	22.1
295.10782	4.4
296.11255	5.0
297.12317	61.6
298.12912	7.2
299.13907	30.2
305.14850	4.7
307.10785	2.7
309.12366	31.4
310.12939	3.7
311.10135	7.7
311.13876	12.8
313.11673	3.3
315.09674	2.0
315.13321	42.2
319.10791	18.2
321.12360	6.6
323.10345	11.8
325.11829	36.5
327.10001	2.6
327.13055	9.8
337.11777	100.0
338.12149	3.4
339.13254	5.5
341.11423	4.5
343.12918	6.4
355.12793	3.3
355.17044	2.6
357.14600	12.8
369.14340	6.2
372.17078	2.5
373.13733	6.8
397.77808	2.5
398.14868	3.6
401.13373	10.1
416.16071	6.3
430.17361	2.8
432.18878	2.2
446.20685	6.9
448.18936	2.6
449.19550	4.2
450.20187	6.8
458.16843	3.7
462.20126	9.1
464.21994	75.2
465.22067	4.6
472.18124	3.1
474.20212	4.8
476.18057	9.2
482.19174	6.7
490.19672	96.7
491.20520	3.4
492.20770	2.7
508.20526	7.2
522.22333	48.8
523.22839	6.0
532.71521	2.4
587.24609	2.9
603.28131	2.7
611.25000	14.7
629.25854	11.3
647.26837	22.4
661.49756	5.2
679.31738	2.6
679.51190	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	678.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39702	9.7
56.76154	9.8
70.48594	34.6
97.19967	9.9
98.20812	9.8
99.02319	9.6
134.13336	13.1
187.43268	9.7
341.11618	12.0
403.19592	12.1
433.23660	14.0
444.19092	13.8
447.17929	13.5
459.21732	45.5
475.21243	36.7
519.23657	16.5
535.23615	14.3
547.26715	17.5
561.24884	29.9
574.26721	12.0
589.24768	15.4
593.23724	33.8
606.28827	91.2
608.12097	16.5
610.27399	11.4
621.27551	51.7
622.27740	100.0
638.26892	32.2
678.29059	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	679.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.58242	0.5
55.01865	0.7
55.05500	1.2
63.02379	0.7
67.05482	0.8
67.79700	0.4
69.03413	1.1
69.07057	0.5
70.06593	0.7
70.79325	0.4
71.57005	0.7
79.05476	1.7
81.03415	3.8
81.07043	1.8
83.08595	1.1
84.61321	0.5
85.02902	1.5
89.03920	7.8
90.84776	0.4
91.05498	3.8
93.07023	1.1
94.04176	1.7
95.04944	0.8
95.08546	0.6
97.02830	0.6
100.11248	5.6
101.41821	0.5
101.91300	0.5
103.05457	0.8
104.06252	0.6
105.03420	0.5
105.07036	3.6
107.04913	0.6
107.08527	0.8
109.02881	1.6
109.06495	1.3
111.04424	0.8
115.05464	2.3
117.03376	18.8
117.06994	1.2
119.04954	1.1
119.08545	1.3
119.44080	0.5
120.47252	0.6
121.06480	1.2
122.03634	4.4
127.03891	0.6
128.06210	0.9
128.07074	1.0
129.06953	1.2
131.04900	1.4
131.08553	0.4
132.05693	1.0
133.06477	2.1
134.03624	1.1
135.04414	2.4
137.05972	43.7
138.06323	1.0
143.04840	0.5
144.05719	0.5
145.02841	47.4
145.10133	0.5
146.03252	0.7
147.04402	2.5
147.08072	1.3
149.05974	7.7
151.07503	0.5
159.08043	1.4
160.05197	1.0
161.05974	6.9
163.03920	1.1
163.07544	0.8
167.06950	0.7
171.07994	0.6
172.05135	0.6
175.07542	14.2
177.05466	100.0
178.05792	1.6
179.07069	0.6
181.06628	0.5
182.15439	2.4
186.05464	1.8
187.07513	3.8
190.07732	1.3
191.08553	4.1
195.06467	1.0
199.07553	3.7
202.07841	1.6
203.08615	3.0
205.06551	0.5
207.06522	0.8
209.16440	1.3
210.14923	1.9
215.08548	0.5
217.08583	0.6
218.07303	1.1
219.08034	5.8
220.08806	1.3
226.19139	0.5
231.07935	3.0
232.08800	1.1
236.08264	1.2
237.09010	0.5
247.07579	2.1
248.08324	0.9
251.10634	4.9
259.07507	2.4
260.08234	1.0
261.08987	0.7
263.10706	1.5
265.08380	0.6
269.08069	0.7
276.07831	1.6
277.08563	1.6
279.10205	4.0
280.10779	0.6
287.05478	0.6
291.10165	6.3
292.10828	1.1
295.13281	0.8
296.10352	0.8
297.11075	0.5
299.09283	0.7
308.10190	0.7
311.12781	9.5
321.09534	6.3
323.12741	7.5
339.10620	2.3
350.14157	0.5
389.42654	0.6
453.34241	1.7
467.30008	0.6
679.34528	0.8
679.51160	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01860	2.0
55.05503	15.8
56.47023	1.4
57.03420	6.0
57.07051	4.9
58.16732	1.6
59.04975	1.8
61.02920	27.3
65.03934	2.1
67.02467	1.3
67.05499	69.9
67.47166	1.4
69.03414	4.6
69.07065	16.4
71.04973	2.4
73.02900	9.1
73.62630	1.3
75.04440	2.3
79.05489	48.7
81.03410	2.5
81.07050	83.1
83.04969	2.2
83.08607	9.1
85.02428	2.2
85.02900	28.2
85.06550	2.1
91.03946	27.8
91.05474	26.1
93.07037	67.2
93.07627	3.4
95.04963	5.7
95.08601	66.3
97.02898	13.7
97.06534	3.5
97.10149	3.2
99.04452	2.2
99.08064	3.1
105.07014	23.5
107.08588	41.4
109.06505	2.7
109.10146	38.9
111.08063	2.9
113.09629	2.7
115.13654	1.6
117.06994	10.3
119.08564	18.4
121.10132	39.6
123.08006	1.5
123.11697	20.2
127.03905	10.7
129.07037	1.9
131.08548	26.5
133.10130	17.4
135.10696	2.0
135.11681	30.1
137.09636	2.3
137.13223	6.8
139.11214	2.3
145.04939	12.0
145.10101	19.3
147.11707	14.1
149.13246	24.6
151.11148	1.5
151.14789	2.6
153.12802	2.3
159.11687	16.7
161.13263	12.1
163.06012	16.5
163.11081	1.5
163.14818	20.2
165.12715	3.4
173.13235	15.3
175.14818	5.8
177.12781	1.9
177.16420	7.1
179.14340	2.8
187.14755	8.9
191.14256	2.0
201.16350	3.9
205.15829	1.7
215.18005	1.6
233.22546	4.0
243.21083	38.5
259.26627	1.5
261.22113	100.0
262.22336	2.6
279.23151	2.6
332.99643	1.6
335.25751	18.3
353.26862	30.3
479.30276	2.0
497.30972	1.9
617.22101	5.1
645.21515	3.6
677.35266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01868	1.9
55.05509	17.6
57.03422	8.8
57.07062	4.8
61.02925	18.0
61.78971	1.3
65.03940	2.0
67.05502	86.1
69.03425	3.4
69.07064	15.5
69.39364	13.7
70.15412	1.4
71.04982	3.3
71.08627	2.7
73.02914	6.0
75.04484	1.7
79.05491	50.0
81.03414	2.4
81.07054	100.0
83.08611	9.0
85.02899	23.0
85.06548	2.7
86.58052	1.3
91.03954	18.5
91.05473	29.0
93.07040	63.1
95.04968	5.9
95.08601	72.3
97.02892	8.6
97.06533	5.1
97.10164	4.4
99.04476	1.7
99.08083	4.6
105.07021	21.0
106.03475	1.6
107.08588	43.5
109.06546	2.5
109.10155	41.7
111.08092	2.1
111.11667	1.3
115.03948	1.4
115.05524	1.4
117.07025	10.8
119.08570	21.7
121.10135	41.2
123.08036	2.1
123.11707	20.9
125.09630	2.2
127.03953	4.4
131.08559	25.3
133.10117	18.0
135.11690	28.7
137.09601	2.6
137.13240	7.1
139.11130	1.6
145.04956	8.6
145.10106	16.0
147.11668	12.8
149.13258	22.4
151.11165	3.0
153.12683	1.9
159.10426	2.0
159.11671	14.6
161.13243	14.4
163.06033	11.7
163.11182	1.5
163.14836	16.2
165.12836	2.1
173.13237	19.3
175.14865	4.2
177.12781	1.6
177.16408	7.8
179.14305	2.6
185.20398	1.4
187.14780	10.8
191.14323	3.0
201.16431	4.1
201.32643	1.3
205.15927	2.5
219.17459	1.9
233.22656	4.4
243.21088	32.1
261.22134	97.3
262.22568	2.3
279.23190	5.6
335.25732	32.0
353.26813	29.3
497.31104	4.2
638.56372	1.6
677.34467	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	676.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70775	1.0
53.03928	1.7
55.01851	1.2
55.05510	9.6
57.03445	10.6
57.07063	1.4
61.02935	1.6
63.38747	1.0
67.05503	36.9
69.03406	1.1
69.07067	13.1
69.89521	2.5
69.89943	3.7
71.04990	3.9
73.02908	1.3
75.04416	1.3
79.05491	20.5
81.03411	2.0
81.07056	75.8
83.04971	5.5
83.08618	10.0
85.02914	2.4
85.06513	4.5
91.05481	19.4
93.07047	30.5
93.23922	1.0
95.04952	4.3
95.08607	15.3
97.06529	7.2
98.20854	1.2
99.08078	2.5
105.07027	17.7
107.08601	16.2
107.45358	1.0
109.06516	4.4
109.10141	3.4
111.08055	5.1
113.06007	1.2
117.06995	4.3
119.08579	14.3
121.10139	21.1
123.08038	3.3
123.11702	15.0
127.07536	1.9
129.07040	1.4
131.08574	4.7
133.10139	6.4
134.10323	1.4
135.08095	1.4
135.11699	4.0
135.82729	1.0
139.11125	1.4
147.11690	35.9
149.13255	16.7
157.10106	1.7
159.11710	6.8
165.12758	14.7
177.12723	3.9
181.55844	1.2
183.13774	2.0
195.13850	7.4
213.14832	2.9
227.75208	1.1
229.14365	2.9
267.15906	43.0
269.17459	57.9
270.17899	1.8
280.24976	1.1
285.16962	26.5
479.30026	100.0
480.30264	3.8
497.17319	1.4
498.18201	2.8
500.49097	1.3
676.26428	6.6
676.36487	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66504	0.2
67.05508	0.4
69.99657	0.9
70.00070	0.6
81.07075	0.5
83.60595	0.3
91.60309	0.3
93.07043	0.4
95.08590	0.4
98.21368	0.4
105.07015	0.3
112.63918	0.3
121.10194	0.4
131.08524	0.4
136.06212	0.6
144.37384	0.3
147.11678	0.3
157.69374	0.3
173.02983	0.4
185.04213	0.5
241.55252	0.3
333.25104	0.5
347.09500	1.0
353.27017	0.4
354.63904	0.3
515.31873	22.2
516.32214	0.5
526.23138	0.3
677.37128	100.0
678.37396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67923	0.4
55.05494	1.2
56.05014	1.8
57.03424	0.7
58.06591	1.6
60.08159	19.1
61.02912	0.5
67.05480	0.7
69.03404	0.8
69.07056	2.0
69.95370	1.8
70.06578	1.4
71.04973	0.9
71.07370	8.4
72.08129	1.3
73.02916	0.5
78.35348	0.4
81.03415	2.2
81.07053	0.9
83.08600	1.0
85.02914	2.2
85.69048	0.4
86.09699	52.3
91.05476	0.5
93.07021	0.8
95.04951	0.6
95.08599	0.6
97.02911	0.4
97.06507	0.6
98.20823	0.6
98.98459	4.3
104.10733	100.0
105.06989	0.5
107.08603	0.5
109.02878	0.7
116.98046	0.4
124.99995	30.0
127.03889	0.5
131.04948	0.9
133.10071	0.5
135.11713	0.5
136.47632	0.4
137.05963	0.9
143.01051	0.8
147.04486	0.4
147.11610	0.4
163.07613	0.5
172.11159	0.5
175.11253	0.4
181.02597	0.6
184.07323	99.5
185.07713	0.6
193.12239	2.3
197.09273	0.5
245.17281	0.7
258.11115	1.0
267.15952	0.7
285.16922	2.4
317.15707	0.9
410.23196	1.7
428.24045	19.0
590.29462	3.3
614.29169	1.7
632.30206	2.8
658.28021	4.1
676.29309	15.5
677.30273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93919	4.1
53.03934	5.8
55.05508	19.0
57.03438	13.3
60.14804	4.7
61.02922	29.8
61.71979	4.5
67.05501	55.4
69.03426	12.0
69.03773	4.6
69.07063	13.8
70.25076	19.0
73.02924	7.5
75.58458	5.0
77.19761	4.6
78.22274	5.0
79.05494	50.3
81.03407	10.6
81.07062	63.6
83.04974	12.6
83.08630	8.9
84.28873	4.5
84.60961	5.2
85.02913	23.7
91.03951	15.3
91.05479	46.5
93.07034	53.6
95.04968	11.8
95.08621	30.6
97.02895	17.1
97.06545	5.7
99.08069	5.5
105.07047	45.4
107.08595	44.8
109.02877	6.6
109.06512	10.1
109.10166	15.2
117.07026	16.4
119.08576	42.8
121.10162	30.3
123.08109	6.2
123.11687	13.2
129.07051	12.7
131.08540	21.5
133.10123	33.3
135.11716	20.1
137.09657	5.6
143.08575	19.9
145.04900	6.7
145.10143	16.9
147.11696	53.8
148.07605	8.7
149.13272	14.6
157.10138	15.6
159.11719	16.0
161.09703	6.7
161.13260	18.5
163.05994	5.7
163.11353	4.9
163.14935	5.6
163.16699	4.9
165.12759	6.8
171.11697	11.5
173.13257	9.1
175.14850	12.5
181.10141	5.8
185.06720	5.1
185.13266	9.6
197.13269	5.9
199.14835	9.0
231.20996	6.1
241.19545	18.5
259.20593	34.8
267.15936	19.3
267.84189	5.0
269.12866	6.3
277.21823	5.1
285.17007	23.8
333.24197	8.5
351.25266	100.0
358.01208	4.6
375.25159	6.2
385.24121	4.9
405.67484	4.3
417.26483	7.9
439.83862	5.6
441.26443	9.8
459.27310	7.1
469.91827	5.8
477.28378	14.9
478.28891	6.7
495.29443	20.6
530.71802	5.7
652.12891	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	675.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.6
55.05513	15.2
57.03432	10.8
60.34758	2.3
60.76669	2.6
67.05506	39.1
69.03445	4.3
69.07063	18.7
69.90765	14.8
71.04977	3.7
74.84958	2.1
79.05476	25.5
81.03413	5.0
81.07053	92.7
83.04981	9.1
83.08612	13.8
85.02904	5.6
85.06534	6.0
91.05482	27.2
91.16000	2.4
91.67125	2.5
93.07047	16.8
95.04950	5.2
95.08596	25.4
97.02883	4.5
97.06524	8.8
97.10120	3.7
98.20810	3.0
99.08081	5.4
105.07039	43.1
107.04965	4.9
107.08586	20.5
109.06506	9.0
109.10181	4.5
119.08591	36.7
120.08068	3.9
121.10139	24.7
122.00963	2.5
123.08042	6.4
123.11694	33.5
127.07536	4.2
129.06966	2.8
131.08588	6.0
133.10139	9.9
135.11694	3.0
137.27527	2.4
143.08586	2.9
145.10081	3.0
147.11684	77.6
147.12810	5.3
148.07570	5.0
157.10143	7.3
165.12741	35.5
173.13425	3.3
183.13806	3.2
192.93364	2.6
214.48831	2.8
225.13806	3.0
229.14348	10.8
252.94058	2.5
253.13383	10.3
254.14102	3.5
267.15900	100.0
268.15839	2.9
269.16577	7.9
285.16962	100.0
477.28220	20.9
482.15674	3.4
483.16556	3.0
495.29532	65.5
496.29980	3.2
497.18103	14.4
557.21478	3.6
578.31354	5.3
644.25116	2.6
657.25745	4.0
675.26459	39.9
676.26825	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
67.05496	0.7
70.62476	1.8
70.62823	0.6
77.73288	0.6
79.48303	0.6
81.07059	0.9
91.05457	0.6
93.07037	1.1
95.08630	0.7
100.83621	0.5
116.95366	0.6
117.57861	0.6
121.10197	0.6
187.14890	0.9
202.85750	0.6
226.19106	0.6
235.11942	0.6
452.94904	0.7
454.16876	0.9
467.12924	0.9
468.14444	2.1
469.14774	9.7
470.15891	2.6
481.15204	2.2
482.15854	12.4
483.16672	12.2
484.17462	2.2
485.18433	0.8
495.16638	0.9
496.17676	4.7
497.18231	45.5
498.18732	6.1
500.16483	0.9
501.17935	0.7
510.19000	3.1
511.19846	7.2
512.20380	1.8
515.19330	3.1
523.17035	0.7
528.16638	2.2
538.20337	1.1
541.17474	1.2
542.18127	2.7
555.19080	1.5
556.19489	3.9
557.20184	3.5
569.20050	0.8
571.21796	0.9
616.21484	1.3
643.23969	6.5
644.24762	7.4
645.25244	1.2
657.25311	7.1
675.26599	100.0
676.26825	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	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01859	1.5
55.05511	6.7
56.05013	0.6
57.03418	3.0
57.07066	1.4
62.06083	1.3
63.54355	0.6
67.05501	6.7
67.57477	0.6
68.99770	1.2
69.03421	11.0
69.07064	8.6
70.06555	1.0
71.04975	2.4
71.08624	7.7
71.31728	1.0
72.04485	0.6
72.08148	5.1
73.02903	2.1
74.88844	0.7
79.05490	4.2
81.03413	8.6
81.07053	10.3
82.07895	0.7
83.04967	1.7
83.08614	6.1
83.37279	0.7
84.04495	0.9
84.08125	1.8
85.02892	6.8
85.06543	1.2
86.06062	27.0
87.00813	2.5
87.04469	1.1
91.05459	3.0
93.07034	6.4
94.06531	1.0
95.04974	1.7
95.08605	5.5
96.08115	5.0
97.02881	4.6
97.06529	3.8
97.10122	1.8
98.06039	1.9
98.09683	13.0
99.04455	3.0
99.07584	0.7
99.08102	7.7
102.18187	0.7
103.03966	0.9
105.07018	1.6
107.08562	5.4
108.08141	3.6
108.08762	0.8
109.02871	8.2
109.06506	1.1
109.10142	2.9
110.09663	1.7
111.08070	1.8
112.07583	0.6
114.09148	1.6
116.10722	71.6
119.08565	1.5
121.10123	2.1
122.09639	3.6
124.07555	1.7
125.09603	0.9
126.09143	1.1
127.03913	13.9
129.01826	1.1
131.08565	1.1
133.10077	1.0
135.11650	1.6
136.11212	1.3
140.10687	2.1
142.12222	1.0
143.10667	2.3
145.04958	1.9
145.10139	0.8
147.11679	1.5
149.13248	5.1
159.02832	1.2
159.11707	0.9
163.11195	1.0
167.14281	1.6
175.11107	0.6
183.10158	0.7
187.06003	1.1
196.16943	1.5
213.03903	1.8
214.18004	16.9
225.11269	0.8
227.12767	0.9
231.05009	2.3
231.15918	1.1
238.17924	1.5
239.16435	2.9
257.17426	6.7
262.21451	1.1
264.23154	1.4
268.22614	1.0
269.17480	1.0
274.21634	1.2
280.22861	0.8
292.22745	4.2
310.23721	21.4
324.25659	0.8
328.24802	100.0
329.12292	1.6
329.25134	2.2
347.13205	2.0
396.91672	0.7
408.31131	2.5
426.32141	11.6
432.66541	0.7
462.23251	6.2
469.14978	1.3
477.28809	1.8
482.15558	1.0
490.30090	3.7
497.18036	5.3
532.31268	8.5
557.19916	0.9
558.29315	4.1
576.30109	57.5
577.30225	1.6
630.37445	1.2
674.37335	7.7
675.26367	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	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.3
55.05502	4.1
56.05009	1.1
56.96533	0.5
57.03440	2.4
57.07045	1.1
58.06563	0.6
60.04522	0.6
62.06069	0.8
67.05499	4.9
69.03399	1.8
69.07060	8.6
70.06576	1.1
71.01366	2.3
71.57821	0.7
72.08118	1.3
73.02914	3.8
75.04422	0.6
76.02187	1.0
79.05495	4.1
81.03372	1.4
81.05758	0.9
81.07053	7.2
82.06546	1.4
83.01325	0.6
83.04942	0.6
83.08614	3.6
84.04478	0.5
84.08105	1.9
85.02895	6.6
85.06518	1.1
86.06061	14.7
86.09660	0.8
91.05489	2.7
93.07037	5.3
94.06564	0.7
95.01290	1.9
95.04942	1.3
95.08603	3.9
95.57314	0.5
96.07564	0.7
96.08125	10.8
97.02854	1.5
97.06477	1.6
97.10131	0.7
98.06036	4.4
98.09654	1.5
99.00761	0.6
99.04414	1.9
100.07588	0.7
101.02330	1.3
105.07042	3.1
107.04932	0.8
107.07993	0.4
107.08592	4.9
108.08141	2.6
108.08741	0.7
109.06508	2.4
109.10121	1.6
110.09680	3.7
111.04369	0.6
111.08031	0.7
112.07574	1.4
113.02356	2.2
114.09135	0.8
115.58170	0.5
116.10725	7.1
117.06944	0.9
119.08543	1.9
120.08077	0.5
121.06444	0.6
121.08903	0.7
121.10130	2.3
122.09626	1.8
123.08028	0.9
123.11668	1.0
124.07574	3.9
124.11192	2.1
125.09616	0.5
126.09138	1.1
127.04001	0.4
129.06996	0.5
131.03358	1.1
131.08592	0.9
133.10069	1.5
134.09599	1.5
136.11183	1.1
137.09575	0.4
138.09081	1.0
140.10664	0.6
141.01814	4.1
142.08620	17.1
145.02831	0.7
145.10071	0.5
147.04408	0.6
147.11624	1.0
149.13232	3.4
151.11195	3.7
151.18217	0.4
152.10670	1.2
152.14291	0.7
154.12242	2.6
157.10101	0.6
159.11691	1.0
162.02200	0.8
166.08522	0.7
166.15891	8.8
167.14345	1.0
169.12195	0.8
170.11732	0.4
175.14972	0.6
176.14378	0.9
177.05453	1.1
179.04872	1.1
194.15402	3.6
210.18535	1.9
212.16437	100.0
213.16841	2.3
214.16972	0.5
231.15846	1.0
238.17992	43.6
239.18414	1.1
240.18411	0.5
256.19058	6.6
257.17175	1.0
257.19449	2.0
258.19644	1.7
275.20053	0.8
296.22403	0.5
312.21570	4.1
330.22714	37.8
331.23019	0.6
337.20883	0.5
345.24289	0.7
349.23639	0.8
364.28448	2.0
402.28467	0.6
406.29657	1.0
424.30280	0.7
426.31509	0.9
437.29453	0.5
440.77112	0.5
445.58850	0.6
480.33469	1.0
488.25125	0.5
494.28842	0.7
498.34329	3.4
506.25922	35.9
507.26373	0.7
512.30786	1.3
613.32031	2.1
656.36444	3.2
674.37378	43.6
675.37463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52419	3.6
53.03933	9.7
55.01869	5.8
55.05505	32.1
57.03423	11.6
57.07076	4.4
59.94883	3.0
65.03947	5.7
67.05504	100.0
68.05816	4.0
69.03130	3.4
69.03430	35.8
69.07059	28.0
71.04977	11.2
71.58022	4.0
71.58493	5.3
74.53804	2.8
79.05494	67.9
80.41837	2.8
81.03421	29.7
81.07054	97.3
83.04971	14.9
83.08608	19.4
85.02892	6.6
86.09697	5.5
91.05476	63.5
93.07039	69.0
95.04959	24.3
95.08604	71.4
96.08945	5.1
97.02883	5.7
97.06526	9.7
97.10167	7.3
99.04472	3.0
103.05473	5.1
105.07032	46.6
107.04944	7.3
107.08595	45.7
109.02881	7.1
109.06504	7.7
109.10153	20.9
111.04426	5.1
111.08111	6.9
117.06999	31.6
119.08577	30.4
121.06483	5.4
121.10131	26.8
123.08081	7.2
123.11712	9.3
124.86750	3.1
125.00028	4.1
127.03867	4.2
128.06215	4.8
129.07018	13.0
131.08545	29.1
133.06480	6.2
133.10120	27.7
135.08046	4.5
135.11719	18.2
137.09601	6.0
139.11174	4.6
141.07010	3.9
143.08530	15.1
145.06468	6.3
145.10114	21.8
147.08054	5.0
147.11713	18.3
149.05943	6.6
149.13261	20.3
151.11183	3.3
155.08630	5.2
157.10147	8.4
159.07985	4.8
159.10388	3.1
159.11688	17.8
161.09648	2.8
161.13301	7.8
163.11186	4.6
165.12743	4.7
166.45798	2.9
169.10126	5.4
171.11635	4.8
173.13226	8.2
175.11240	4.2
175.14864	3.8
177.12735	6.3
183.11702	5.4
184.07318	14.2
185.09627	4.3
185.13275	6.4
187.14789	6.8
195.11931	3.1
195.13745	8.6
197.13281	5.3
201.12912	3.2
209.13237	4.2
215.12782	9.0
221.13185	3.8
221.43001	3.3
223.14969	4.5
255.24852	3.0
259.20551	4.5
269.17490	13.2
277.21783	5.3
285.22220	3.3
287.72214	3.1
301.21631	6.4
335.25800	5.9
336.26129	8.6
339.17902	7.7
351.22830	3.8
369.24072	11.5
387.25189	6.2
461.29156	5.4
476.34494	7.7
534.50323	3.2
617.04968	3.6
637.40826	7.5
655.41614	6.8
673.43109	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01858	9.5
55.05508	10.9
57.03423	8.1
61.02924	35.9
67.05502	24.0
69.03440	12.7
69.07071	19.1
69.37938	21.9
71.04987	4.9
73.02923	13.8
79.05494	25.3
81.03419	17.8
81.07054	37.6
83.04974	6.7
83.08608	7.1
85.02428	3.3
85.02905	41.6
91.03949	16.8
91.05482	38.3
93.07032	28.5
95.01323	4.9
95.04960	9.8
95.08613	20.6
97.02892	28.6
97.06528	19.6
97.10174	3.4
98.21575	3.8
99.04453	7.1
101.02380	3.9
105.07028	49.3
107.04966	12.9
107.08597	10.8
109.02869	5.6
109.06502	5.1
109.10152	7.7
111.08095	2.9
113.42812	2.0
115.05447	2.4
117.07014	11.0
119.04930	2.2
119.08588	27.7
120.08165	3.3
121.06523	5.4
121.10123	9.8
123.04400	3.4
123.08041	4.7
125.09663	2.5
127.03888	18.2
129.06978	5.0
131.08571	19.1
133.10121	33.7
135.08043	4.5
135.11722	3.9
137.09569	2.3
143.08536	6.0
145.04933	6.7
145.06383	2.6
145.10106	12.2
147.04425	8.3
147.11644	16.1
148.07562	6.0
149.09618	4.8
151.07576	4.1
157.10147	5.5
159.08118	2.3
159.11661	10.3
161.05927	2.0
161.13268	4.1
163.11206	2.7
165.09134	1.9
169.10124	3.5
171.11665	3.4
173.13208	3.1
177.12770	2.1
179.14226	9.8
183.06557	4.5
183.11688	3.4
184.68216	1.9
185.13297	2.3
187.11203	2.5
195.13803	2.2
197.13225	3.2
247.20567	3.6
249.10237	2.2
257.18970	5.4
271.14297	3.8
275.20056	100.0
277.09650	2.8
281.09143	3.5
293.21194	4.9
296.32166	2.2
308.05200	2.1
308.08929	2.1
323.10406	3.3
343.12811	3.7
349.23691	44.1
351.09644	4.6
369.10800	5.5
371.12186	2.4
377.23187	4.0
383.12482	3.9
391.25104	2.9
444.28647	2.6
493.27893	8.4
673.32849	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01858	9.5
55.05508	10.9
57.03423	8.1
61.02924	35.9
67.05502	24.0
69.03440	12.7
69.07071	19.1
69.37938	21.9
71.04987	4.9
73.02923	13.8
79.05494	25.3
81.03419	17.8
81.07054	37.6
83.04974	6.7
83.08608	7.1
85.02428	3.3
85.02905	41.6
91.03949	16.8
91.05482	38.3
93.07032	28.5
95.01323	4.9
95.04960	9.8
95.08613	20.6
97.02892	28.6
97.06528	19.6
97.10174	3.4
98.21575	3.8
99.04453	7.1
101.02380	3.9
105.07028	49.3
107.04966	12.9
107.08597	10.8
109.02869	5.6
109.06502	5.1
109.10152	7.7
111.08095	2.9
113.42812	2.0
115.05447	2.4
117.07014	11.0
119.04930	2.2
119.08588	27.7
120.08165	3.3
121.06523	5.4
121.10123	9.8
123.04400	3.4
123.08041	4.7
125.09663	2.5
127.03888	18.2
129.06978	5.0
131.08571	19.1
133.10121	33.7
135.08043	4.5
135.11722	3.9
137.09569	2.3
143.08536	6.0
145.04933	6.7
145.06383	2.6
145.10106	12.2
147.04425	8.3
147.11644	16.1
148.07562	6.0
149.09618	4.8
151.07576	4.1
157.10147	5.5
159.08118	2.3
159.11661	10.3
161.05927	2.0
161.13268	4.1
163.11206	2.7
165.09134	1.9
169.10124	3.5
171.11665	3.4
173.13208	3.1
177.12770	2.1
179.14226	9.8
183.06557	4.5
183.11688	3.4
184.68216	1.9
185.13297	2.3
187.11203	2.5
195.13803	2.2
197.13225	3.2
247.20567	3.6
249.10237	2.2
257.18970	5.4
271.14297	3.8
275.20056	100.0
277.09650	2.8
281.09143	3.5
293.21194	4.9
296.32166	2.2
308.05200	2.1
308.08929	2.1
323.10406	3.3
343.12811	3.7
349.23691	44.1
351.09644	4.6
369.10800	5.5
371.12186	2.4
377.23187	4.0
383.12482	3.9
391.25104	2.9
444.28647	2.6
493.27893	8.4
673.32849	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05503	5.1
57.03437	4.0
57.07071	35.2
61.02919	13.9
67.05127	0.6
67.05497	11.7
69.03421	2.3
69.06727	0.6
69.07061	7.0
71.04971	0.9
71.08628	27.9
71.57397	0.8
73.02908	5.2
75.04464	1.5
79.05489	2.4
81.03407	2.2
81.06585	1.0
81.07049	17.1
82.07407	0.6
83.08141	0.8
83.08612	11.6
85.02899	15.7
85.10175	17.2
89.06026	0.6
91.03413	1.0
91.03948	14.7
91.05468	2.7
93.07008	1.9
95.04945	1.5
95.08599	23.4
97.02879	7.2
97.06544	0.5
97.10164	6.5
99.04441	1.6
99.11730	1.1
99.16437	0.5
101.02396	0.4
103.07597	0.8
105.06995	1.1
107.08588	1.4
107.69701	0.5
109.02877	1.1
109.10150	12.1
111.11697	1.9
113.13240	0.8
115.03937	1.3
117.05466	0.5
117.06969	0.7
121.10137	1.1
123.11700	4.6
125.13241	1.1
127.03920	5.1
131.08594	1.0
133.10109	0.7
137.13254	1.6
145.04964	6.3
145.10126	0.5
149.13249	0.6
151.14769	1.0
163.06020	11.1
191.90181	0.6
221.22717	1.0
224.52089	0.5
239.23671	23.7
257.24677	4.0
298.27457	0.6
313.27341	100.0
314.27618	1.3
331.28391	30.1
672.40363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	11.0
69.97123	40.3
81.07076	10.4
82.92578	7.7
98.20785	8.4
104.54173	7.2
105.07001	10.0
184.79997	9.0
307.26743	8.6
383.00336	10.3
471.84781	8.6
495.31512	18.3
671.35455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58275	0.5
52.20484	0.5
55.01859	1.7
55.05498	3.6
56.05043	0.7
57.03419	1.8
57.07068	1.2
61.02918	0.7
67.05511	3.6
68.05041	0.6
69.03422	6.9
69.07056	8.2
70.06574	1.2
71.01341	0.6
71.04959	1.0
71.08621	0.6
71.57609	0.7
72.08116	0.8
73.02940	1.1
79.05476	4.1
81.03419	5.4
81.07047	5.4
82.06577	1.0
83.04971	1.2
83.08607	4.3
84.08123	3.2
85.02895	7.6
85.06527	1.0
86.05576	1.0
86.06058	11.9
86.09692	0.6
87.00800	3.0
87.04475	0.6
91.05482	3.2
93.07030	5.1
95.04945	1.1
95.08607	3.1
96.08130	7.9
97.02876	3.2
97.06509	2.2
97.10161	1.2
98.06050	2.9
98.09695	1.6
99.04438	3.9
105.01842	1.1
105.07009	2.5
107.08570	4.6
108.08107	2.9
109.02868	4.1
109.06516	2.0
109.10136	2.0
110.09688	3.0
111.08062	1.0
113.83955	0.5
114.09129	0.7
116.10717	6.6
117.06991	0.9
119.08533	0.9
120.08080	2.4
121.08869	0.8
121.10107	1.9
122.09653	1.5
123.11678	0.7
124.07568	2.4
124.11224	2.2
126.09168	1.1
127.03914	5.4
129.07007	0.7
130.08644	0.9
131.08566	0.8
133.10120	1.7
134.09648	1.2
135.11668	1.0
136.11195	1.3
137.05948	1.0
142.08618	12.4
145.04982	1.1
145.10136	0.7
149.13237	2.5
150.09116	0.6
151.11172	2.8
152.10689	1.3
154.12267	2.6
157.10072	0.6
159.02863	1.4
159.11594	0.7
164.14252	0.6
166.15891	8.3
169.12253	3.1
194.15422	3.0
210.18462	2.1
212.16435	84.4
213.16722	1.9
238.17992	43.7
239.18364	1.0
256.19052	100.0
257.17172	3.4
257.19485	1.6
310.23953	0.8
328.24734	1.3
345.24176	0.9
363.25256	2.3
406.29404	4.3
416.22592	1.6
424.30533	42.7
425.30655	2.1
460.21695	4.3
504.24420	3.9
628.36792	6.8
629.36670	0.9
672.35864	14.5
673.35229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36391	0.6
53.03912	0.6
54.69320	0.6
55.01858	0.9
55.05491	0.8
57.03446	0.7
65.03915	1.7
67.05489	1.6
68.99798	0.7
69.03403	1.7
69.19909	0.5
71.57738	1.1
73.02884	0.7
79.05459	1.4
81.03062	0.5
81.03416	6.0
81.07028	1.8
83.08591	0.9
85.02880	2.4
89.03861	0.8
91.05477	21.4
93.07015	1.8
95.04934	0.9
95.08578	0.9
97.02871	0.8
100.11201	0.7
103.05441	0.7
105.03298	0.8
105.07048	1.3
107.04944	0.9
107.08549	1.2
109.02851	2.3
109.10099	0.8
119.04933	28.2
119.08563	0.9
121.02886	1.0
121.10104	1.6
125.86803	0.6
127.03836	0.8
129.06985	0.5
131.04872	0.9
131.08504	0.6
132.02045	1.5
134.03612	2.0
135.04297	0.6
135.08089	0.6
137.05959	1.7
137.09564	0.5
145.02800	1.3
147.04396	28.7
149.02313	4.6
149.09616	0.7
153.01817	5.9
157.03958	1.8
164.04691	1.5
167.07002	1.2
169.10094	0.6
170.02020	1.1
170.15486	1.0
171.04301	0.5
175.03899	45.0
176.04326	0.7
179.06964	1.9
181.77687	0.6
182.15422	1.7
185.05939	1.2
187.07693	0.5
192.04158	0.9
198.14958	1.0
201.05438	0.6
202.06029	0.6
207.06512	100.0
208.06841	1.6
210.14919	1.1
212.04628	0.6
213.05452	3.0
225.07562	1.4
229.04948	4.9
230.05644	2.1
241.04945	9.4
245.08089	2.7
256.41214	0.6
258.05124	0.8
269.04440	11.1
285.03903	1.4
286.04703	17.7
300.06573	0.6
301.07043	82.9
302.07407	2.1
317.48868	0.6
328.17883	0.6
339.12338	0.6
351.10684	6.2
367.24963	0.6
369.11676	2.9
431.22919	0.6
471.35193	0.7
603.02979	0.7
668.38165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23842	0.6
51.32492	0.7
55.05510	1.3
60.06367	0.6
67.05513	3.7
69.07074	0.8
71.58073	1.3
79.05495	1.8
81.03441	1.2
81.07070	1.4
82.02756	0.7
93.07052	1.5
95.04954	0.7
95.08620	1.2
98.41794	0.6
105.07033	1.0
107.08601	0.8
109.10136	1.5
112.42043	0.7
119.08602	0.9
138.44647	0.6
158.58560	0.7
161.13123	0.6
282.29538	0.8
292.26465	0.8
304.86389	0.8
335.33078	0.6
377.17938	1.0
379.19269	1.8
391.19275	1.4
392.20166	1.1
393.21027	2.0
394.51413	0.7
405.17166	2.9
407.17889	1.1
407.22824	4.1
418.17773	2.0
419.18250	4.2
420.19455	1.9
421.20474	3.3
423.21893	0.9
433.15869	0.9
433.20425	13.0
433.25583	1.1
434.21390	5.4
435.22131	6.7
436.22461	0.8
446.21249	0.9
447.21887	2.2
449.19434	5.6
462.20734	1.5
463.21448	3.8
475.21542	0.9
493.22391	2.2
495.23996	1.6
505.22299	1.0
507.20090	1.2
508.20697	0.9
509.21936	1.2
521.26178	6.5
522.22552	4.3
523.23120	3.5
535.23413	1.6
549.24976	6.0
565.24188	1.1
567.22852	1.3
579.26428	0.9
580.26617	1.4
581.27338	1.5
609.27026	13.2
669.29187	100.0
670.29486	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	667.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.3
68.99755	0.1
69.03392	0.1
69.07046	0.2
76.19694	0.1
77.13786	0.1
79.05483	0.4
81.03407	0.3
81.07036	0.4
85.02909	0.2
91.05473	0.8
93.07030	0.2
95.01324	0.2
95.04977	0.2
95.08578	0.2
97.02869	0.1
101.49615	0.1
105.07034	0.4
107.08580	0.3
111.04449	0.2
119.04932	0.6
119.08600	0.3
121.06509	0.2
121.10110	0.2
123.00776	0.2
132.05685	0.6
133.06477	0.6
135.04422	0.3
137.05959	0.9
138.03072	0.2
139.03886	0.3
147.04407	1.1
147.11717	0.2
148.05112	0.1
152.06203	0.1
167.03371	0.4
168.05702	0.4
169.01318	0.2
171.04243	0.1
172.08867	0.1
175.03886	0.9
176.04660	0.2
177.05464	0.2
179.97801	0.1
182.07269	0.7
183.08037	1.2
184.03676	2.5
185.06068	0.3
187.07582	0.2
196.05208	0.4
197.05963	0.6
199.07504	0.2
200.08250	0.3
207.06523	1.6
208.32788	0.1
210.06746	0.6
211.07568	2.0
212.08221	0.2
213.05476	0.5
224.04745	0.2
225.05490	0.3
227.07030	1.3
228.07770	1.0
238.06169	0.1
239.06998	2.8
241.04965	0.8
243.10164	3.9
252.04236	0.3
253.04959	0.2
255.06436	0.8
256.07294	7.1
257.07523	0.2
267.06516	1.0
269.04480	0.2
271.09607	0.2
283.06009	1.7
284.06772	16.9
285.07217	0.5
299.09109	100.0
300.09442	2.2
492.83493	0.2
680.25610	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	665.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05503	2.1
57.03423	0.9
61.02913	1.5
67.05489	5.4
69.03418	1.8
69.07066	2.3
71.04978	0.8
71.58012	1.1
73.02908	2.0
79.05477	2.7
81.03420	2.0
81.07059	5.2
83.04944	0.9
83.08601	0.8
85.02908	2.2
91.03941	1.5
91.05478	2.2
93.07045	3.8
95.04971	1.2
95.08607	3.4
97.02889	2.0
97.06529	1.0
101.02378	1.8
105.07027	1.8
107.08607	2.1
109.02882	0.9
109.10144	1.7
119.08571	1.3
121.10141	1.9
123.08097	1.1
127.03865	0.9
129.07054	0.9
131.08539	1.0
133.10123	1.9
135.11696	1.2
145.10127	1.5
147.11761	0.7
147.93529	0.7
149.09604	1.0
149.13223	1.3
151.07529	0.7
157.10152	1.1
157.74271	0.6
159.11722	0.9
159.33859	0.7
171.11737	0.8
173.11760	0.9
183.11658	1.3
184.11966	0.7
197.13234	0.8
203.05353	0.8
235.13087	1.4
243.08441	1.3
259.07983	1.4
269.17554	1.1
275.20291	1.2
429.25342	0.9
453.20972	8.5
503.29538	1.9
546.93475	0.7
568.60266	0.7
647.38153	1.4
665.34985	100.0
666.35052	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	665.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05503	2.1
57.03423	0.9
61.02913	1.5
67.05489	5.4
69.03418	1.8
69.07066	2.3
71.04978	0.8
71.58012	1.1
73.02908	2.0
79.05477	2.7
81.03420	2.0
81.07059	5.2
83.04944	0.9
83.08601	0.8
85.02908	2.2
91.03941	1.5
91.05478	2.2
93.07045	3.8
95.04971	1.2
95.08607	3.4
97.02889	2.0
97.06529	1.0
101.02378	1.8
105.07027	1.8
107.08607	2.1
109.02882	0.9
109.10144	1.7
119.08571	1.3
121.10141	1.9
123.08097	1.1
127.03865	0.9
129.07054	0.9
131.08539	1.0
133.10123	1.9
135.11696	1.2
145.10127	1.5
147.11761	0.7
147.93529	0.7
149.09604	1.0
149.13223	1.3
151.07529	0.7
157.10152	1.1
157.74271	0.6
159.11722	0.9
159.33859	0.7
171.11737	0.8
173.11760	0.9
183.11658	1.3
184.11966	0.7
197.13234	0.8
203.05353	0.8
235.13087	1.4
243.08441	1.3
259.07983	1.4
269.17554	1.1
275.20291	1.2
429.25342	0.9
453.20972	8.5
503.29538	1.9
546.93475	0.7
568.60266	0.7
647.38153	1.4
665.34985	100.0
666.35052	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	665.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15799	0.7
53.03948	1.0
55.01876	0.9
57.03419	1.6
61.02919	1.9
66.07748	0.7
69.03420	5.2
70.06580	1.0
71.04980	2.3
71.56974	1.2
79.05508	1.5
81.03421	2.0
81.07056	1.0
84.22779	0.6
85.02905	16.9
87.04438	0.6
91.03943	0.7
91.05478	4.6
94.04180	2.7
97.02892	4.2
99.04430	1.2
99.31548	0.6
103.05444	3.5
104.06237	1.0
105.07031	3.4
107.04967	0.8
109.02875	1.4
109.06518	1.7
115.05436	4.7
117.07018	2.4
119.04967	2.1
119.08567	2.1
120.08083	1.4
122.03656	7.5
127.03938	2.2
128.06242	1.8
129.06982	1.6
131.04932	5.1
132.05698	2.1
133.06479	3.9
137.05977	100.0
141.06953	0.9
143.04984	0.9
145.04996	1.9
145.06483	1.6
145.76054	0.6
146.03700	0.8
147.04404	7.2
147.08047	4.1
148.04715	0.7
149.05963	1.6
151.03943	1.2
157.06503	0.9
159.08072	2.2
160.05206	2.2
161.05974	14.0
163.07535	11.4
167.06982	3.8
169.06502	1.5
171.08104	1.0
175.07549	51.8
176.07831	1.0
179.07040	1.5
184.05121	1.0
185.05884	0.9
187.07523	7.6
189.09157	0.9
190.07837	1.4
191.08559	4.1
199.07550	11.0
201.09088	1.5
202.07716	3.3
203.08559	5.8
208.09001	0.8
218.07330	1.5
218.69887	0.7
219.06169	1.1
219.08051	8.2
220.08823	2.2
231.08081	8.8
232.08792	2.0
235.07600	1.1
236.08307	1.3
237.09114	1.1
247.07491	4.7
248.08347	4.8
249.08882	0.8
251.10640	9.3
259.07593	6.6
260.08334	2.1
262.09854	0.8
263.10635	4.0
264.07608	1.1
265.08499	0.9
276.07828	2.7
277.08597	3.1
279.10178	6.7
280.11090	0.7
291.10138	16.1
292.10791	4.7
293.08118	1.9
295.13330	1.2
296.10684	0.7
308.10428	1.7
311.12769	23.8
315.10263	0.7
323.12790	28.0
325.14230	4.0
341.13828	1.3
357.13318	1.0
359.13104	0.8
377.01984	1.3
417.15515	2.2
471.60855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01862	0.6
65.03921	0.8
67.05491	1.1
69.03407	0.9
69.47942	2.4
69.48362	1.5
70.06560	0.9
78.04696	1.8
79.05484	1.9
81.03402	1.1
81.07039	0.9
82.04183	0.6
85.02878	1.9
85.14768	0.4
91.05460	1.4
95.04942	0.9
103.05451	1.1
106.04164	1.2
107.04948	4.9
110.03627	0.9
115.05437	2.7
117.07017	5.3
122.03669	0.6
123.04421	5.5
124.05222	2.5
125.05965	1.0
127.03974	0.6
127.05455	0.6
135.76730	0.5
137.05986	1.8
142.02583	0.6
143.04854	0.5
143.59700	0.4
145.06473	8.9
147.08049	0.6
151.03873	1.6
152.04643	1.7
153.33339	0.5
155.06035	2.1
167.07030	100.0
168.07329	1.2
171.06555	1.1
173.05977	17.1
175.07588	0.8
176.27840	0.5
177.05486	0.7
181.04939	25.3
191.07072	0.5
195.06499	0.7
195.23602	0.5
200.35828	0.5
201.05496	0.9
205.08565	3.6
207.06474	0.7
218.05650	0.6
233.08076	7.3
235.09645	1.9
362.82413	0.6
367.11652	0.5
387.14352	9.0
396.36948	0.6
399.14267	3.3
417.15405	70.7
418.15659	1.8
475.24329	0.7
531.28540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33091	2.0
55.05498	5.7
57.03423	8.0
57.07073	26.1
59.04982	2.9
61.02905	5.7
63.44022	1.9
66.23344	1.8
67.05501	78.6
69.07056	8.5
69.23009	1.8
71.04955	2.2
71.08635	15.3
75.18377	2.0
75.35998	1.8
81.07048	16.1
83.08607	9.8
85.02886	4.9
85.06540	2.6
85.10164	9.1
91.03976	1.8
91.05485	2.6
93.07038	4.6
95.04966	1.9
95.08629	11.8
96.46975	2.1
97.02869	5.3
97.10133	3.7
107.08564	4.8
109.10152	68.0
109.10926	3.3
111.08052	3.1
119.08572	2.7
121.26067	2.2
123.11681	2.4
127.49096	2.0
155.10651	2.4
173.11693	20.7
221.15509	2.2
229.14339	100.0
229.33690	2.8
309.92728	2.2
313.27371	87.9
467.37314	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.5
56.21634	1.9
57.07048	2.2
62.23203	2.1
67.05501	10.5
67.51478	1.6
69.03415	6.1
69.30370	20.7
77.80139	1.7
79.05501	8.8
81.03407	2.1
81.07053	16.0
84.51277	1.9
85.02905	24.3
91.05462	8.2
93.07023	6.4
95.04974	4.3
95.08592	7.9
98.03562	1.8
105.07034	13.9
107.08601	7.0
109.06513	5.0
109.10160	4.2
111.04477	1.7
111.08083	2.3
112.07573	3.1
117.07018	3.2
119.08578	15.9
121.10152	4.0
123.11691	32.3
125.05979	2.6
129.07031	2.9
130.07729	2.6
131.08595	5.3
133.06482	6.9
133.10126	5.3
135.08105	2.1
143.08496	2.4
145.10117	18.2
147.08090	2.8
147.11678	30.4
149.09543	3.4
156.09306	5.8
161.13336	1.8
163.11130	2.4
171.11716	8.2
189.12740	100.0
207.13811	22.9
218.11252	2.0
225.14851	3.9
664.42004	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28255	4.4
67.05498	10.8
69.07034	5.8
69.25159	4.5
70.30824	4.3
79.05521	7.9
81.07039	13.1
91.05476	13.3
93.07039	8.1
95.08605	8.9
98.20700	8.2
105.06998	20.7
109.06535	4.7
119.08576	28.0
121.76682	4.7
129.06960	5.7
131.08566	13.9
133.06490	9.8
133.10063	9.3
135.86505	4.9
139.77077	5.2
145.10085	26.8
147.08101	5.8
147.11664	33.5
171.11632	5.7
189.12737	100.0
207.13783	21.2
209.80467	5.2
442.46024	6.0
551.32593	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	663.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76440	1.5
55.28833	1.5
56.35541	1.4
56.44941	1.7
57.07073	56.3
66.90977	1.5
71.18498	4.3
91.05486	6.5
107.37653	1.4
123.38031	1.5
147.11682	7.1
153.06956	4.5
233.03651	7.8
251.04646	18.2
297.90717	1.8
307.10779	2.0
327.07776	100.0
328.08463	2.0
383.14050	67.5
439.20294	56.1
445.09531	1.9
495.26523	69.8
496.27097	1.9
501.62894	1.7
545.92316	1.9
547.94269	1.5
551.32788	80.4
552.33179	3.0
562.11713	1.9
607.39001	41.6
608.39294	2.3
663.45068	6.7
675.70355	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	664.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08407	3.5
55.05489	13.1
57.07059	3.9
64.07056	3.0
67.05500	22.4
69.03403	3.5
69.07047	13.7
69.94012	7.0
69.94421	13.8
70.06580	3.2
79.05480	11.1
81.03400	8.8
81.06637	4.9
81.07053	41.2
81.93553	3.0
83.08594	8.8
85.02885	8.7
91.05476	14.3
93.07039	26.5
95.01311	14.1
95.04940	6.2
95.08596	36.6
97.06519	8.9
97.10144	5.7
98.21564	3.1
101.02364	3.4
102.78928	2.9
105.07027	35.6
107.08598	29.1
109.06506	4.1
109.10155	32.2
111.08067	4.0
117.07020	4.4
119.08558	51.4
121.10122	22.6
123.08056	6.4
123.11694	7.3
125.09584	3.7
129.06987	4.4
131.08540	18.3
133.10138	20.6
135.11670	12.8
137.09601	4.4
141.01810	30.5
143.08560	6.3
145.10109	27.2
147.11684	15.9
149.13242	11.6
151.07559	3.5
157.10101	7.9
159.11671	22.4
161.13240	15.3
163.14758	8.6
171.11673	5.0
173.11765	2.8
173.13254	13.0
175.14803	22.5
177.12682	4.5
177.16333	16.3
183.11777	3.2
185.13255	6.9
187.14778	36.0
189.16350	35.7
191.17986	4.9
197.13310	3.8
199.14799	10.3
201.16339	28.8
203.17990	18.2
205.15854	12.2
213.16383	11.9
215.17981	3.4
217.15822	8.0
217.19521	4.6
219.17317	8.3
225.16415	7.0
227.17902	5.4
231.17401	3.7
233.18948	6.0
235.16704	3.8
239.18086	3.1
247.16866	5.3
249.18492	4.6
281.22589	5.8
299.21399	3.1
327.23294	5.5
341.16199	8.6
389.31952	8.6
407.33072	100.0
425.34384	17.3
435.32669	34.4
453.33618	86.4
665.34680	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	663.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05516	2.5
57.03421	1.2
57.07069	1.0
60.88781	0.4
65.03912	0.6
67.05502	5.1
69.03425	0.9
69.07063	4.5
69.48472	3.6
69.48878	1.0
71.01345	1.1
73.02916	2.8
79.05484	4.3
81.07054	10.1
83.04965	1.7
83.08615	1.7
85.02896	5.3
85.06535	0.7
91.05479	5.1
93.07041	8.6
95.01313	2.6
95.04935	1.6
95.08598	14.3
97.02916	0.6
97.06514	0.9
97.10157	1.0
98.21534	1.0
101.02377	0.5
103.05449	0.6
105.07029	16.0
107.08585	11.5
109.06512	1.9
109.10135	6.9
111.08064	1.7
113.02353	1.5
115.05518	0.5
117.07008	2.2
119.04965	0.5
119.08574	17.4
119.22966	0.4
121.06519	1.6
121.10136	9.2
123.08055	1.0
123.11708	1.8
125.05972	0.5
128.06216	0.6
129.07011	1.8
130.07788	0.6
131.03381	1.7
131.08572	7.6
133.06508	0.5
133.10123	12.8
135.08035	1.9
135.11687	4.5
137.09583	1.4
137.13263	0.7
141.01814	7.0
141.07002	0.7
142.07809	0.8
143.08583	3.6
145.06493	0.6
145.10121	8.0
147.08040	1.6
147.11676	10.1
149.09644	1.7
149.13268	3.8
153.09035	0.7
155.08542	1.6
157.10127	5.5
158.10918	0.7
159.02885	1.3
159.08041	1.4
159.11688	6.1
160.12476	0.6
161.09630	3.1
161.13269	5.0
163.11150	1.2
163.14804	3.5
165.12837	0.6
169.10120	2.2
171.11670	3.6
173.09621	1.9
173.13258	6.5
175.11226	2.1
175.14824	11.8
177.12761	1.0
177.16391	2.0
181.10168	1.0
183.11707	1.8
185.13220	2.3
186.13945	0.5
187.11082	0.8
187.14821	8.2
189.12790	1.3
189.16368	16.2
191.14296	0.8
191.17990	0.9
191.76097	0.5
193.15927	1.2
195.11658	0.8
197.13263	3.0
199.14801	7.2
199.62259	0.5
201.12772	0.6
201.16293	2.8
203.14285	1.5
203.17995	0.5
205.15799	2.4
207.11739	0.6
207.13925	0.6
207.17551	1.0
209.13278	0.7
211.14777	2.3
213.12781	0.6
213.16360	3.0
215.14284	5.7
215.17882	1.1
217.15823	8.6
221.15276	0.6
221.39923	0.5
223.14766	1.4
225.16338	1.9
226.36580	0.5
227.14368	0.7
227.17920	2.4
229.15858	1.2
229.19513	1.2
231.17484	1.7
233.15405	4.3
235.16862	2.5
237.16466	0.9
239.17941	1.9
241.15987	0.9
241.19495	1.5
243.17480	1.2
243.21127	0.8
245.19090	0.8
247.17030	0.7
251.18025	0.6
253.19585	1.2
255.21281	0.6
257.19034	1.6
261.14603	0.6
265.19589	1.0
267.20984	1.4
269.30667	0.5
271.20456	1.5
273.18488	0.6
277.19528	0.6
279.20978	0.9
281.22281	0.5
289.17966	0.9
291.21048	0.6
293.22623	0.7
297.22116	1.5
299.20059	1.0
303.19604	1.2
311.23715	1.1
313.21732	0.5
339.23209	1.6
343.22580	0.6
345.26071	0.6
347.27405	1.3
357.24362	1.1
365.28568	0.8
387.30591	2.3
393.31625	2.5
403.30524	0.6
405.31516	5.8
406.32077	0.5
411.28955	1.4
423.32584	5.4
433.30743	3.2
439.31992	10.8
451.32050	31.4
452.32654	1.2
469.33121	100.0
470.33606	3.9
487.34027	2.7
645.36115	0.7
663.37354	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	663.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
59.85548	0.2
65.95371	0.2
67.05496	1.1
69.03431	0.5
69.07054	0.4
69.45425	2.1
70.74240	0.3
79.05495	0.6
81.03411	0.6
81.07045	1.0
83.08611	0.4
85.02892	0.7
91.05470	0.8
93.07036	0.9
95.04999	0.4
95.08057	0.3
95.08591	1.4
97.02937	0.4
99.04426	0.3
105.07026	1.2
107.08591	0.9
109.06524	0.3
109.10159	1.1
111.04385	0.3
113.22797	0.2
117.06989	0.4
119.08572	0.8
121.10174	1.1
123.11652	0.5
131.08554	0.9
133.10104	0.6
135.08154	0.3
135.11720	0.6
143.08559	0.3
143.11571	0.3
145.06375	0.2
145.10106	0.6
149.13347	0.4
157.10176	0.4
161.13368	0.3
163.11218	0.3
163.14847	0.3
173.09738	0.3
175.14758	0.5
185.04318	0.5
187.14888	0.8
189.12746	0.3
189.16409	0.5
191.17982	0.5
203.05334	0.4
215.14256	0.3
243.08533	0.8
247.99702	0.3
413.17831	0.6
423.32645	1.0
427.24649	0.4
445.25735	1.5
446.17847	0.3
474.17944	0.3
501.28049	2.0
592.24097	0.5
617.36737	2.1
620.23138	1.4
621.24402	0.8
631.22302	0.6
635.33801	0.4
663.33472	100.0
664.33875	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	661.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01858	3.3
55.05511	13.7
57.03431	25.2
57.07061	3.3
61.02922	84.4
65.03911	1.8
67.05499	54.5
69.03424	32.4
69.07063	18.9
71.01331	4.7
71.04969	4.3
71.08602	3.1
71.58440	1.3
73.02914	28.8
75.04449	2.8
79.05489	18.2
81.03414	27.9
81.06587	2.7
81.07049	52.6
82.65768	1.5
83.01321	1.4
83.04959	5.9
83.08608	10.9
85.02896	100.0
85.06528	1.5
87.04444	4.5
91.03944	55.7
91.05476	14.1
93.07037	17.9
95.04960	4.6
95.08600	33.7
96.08904	1.3
97.02879	70.8
97.06510	3.9
97.10154	6.6
99.04458	10.5
101.02385	8.5
103.03906	10.1
105.07020	12.3
107.04968	1.6
107.08599	12.8
109.02338	1.2
109.02877	13.2
109.10142	19.8
111.04427	3.5
111.08072	3.7
111.11694	1.3
113.09605	2.0
115.03906	6.5
117.05481	3.1
119.08546	8.8
121.10150	11.2
123.11688	7.7
125.09633	1.9
127.03902	32.6
129.05473	7.0
129.06961	1.6
131.08519	4.3
133.10110	6.9
135.11652	7.5
137.05962	2.4
137.13231	3.5
143.08592	2.0
145.04939	27.2
145.10149	1.8
147.11665	7.7
149.13217	4.2
151.14755	2.6
155.06947	1.5
157.10094	2.1
159.06512	2.2
159.11719	1.7
161.13223	5.4
163.05992	5.9
163.14804	4.5
165.16377	2.4
171.06522	3.2
173.13173	2.0
175.14757	3.8
183.06491	9.2
185.13289	1.5
189.16400	1.9
201.07564	6.1
222.83307	1.2
245.22647	8.1
261.22122	2.1
263.23660	17.9
275.20230	1.4
291.23068	1.4
305.24765	2.6
329.24924	2.5
335.25638	2.4
337.27338	88.4
338.27545	2.6
343.26379	1.4
347.25519	1.4
353.24606	1.9
365.27051	2.7
371.25696	3.6
379.28247	1.6
389.26788	1.3
407.28046	1.9
445.29556	3.4
463.30698	2.2
481.31598	7.4
499.32217	2.3
581.39032	1.5
591.17365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.3
66.29856	1.7
67.05481	6.2
69.03416	2.7
69.07037	1.8
69.53818	9.8
69.54234	4.1
70.63813	1.5
79.05487	4.4
81.03383	2.6
81.07020	6.9
85.02876	1.8
87.60455	1.6
91.05460	4.7
93.07016	5.6
95.04948	2.7
95.08589	3.2
105.07004	4.1
107.07299	1.8
107.08588	2.7
117.06955	2.0
119.08546	4.3
120.08072	2.8
122.09682	8.1
131.08517	3.6
133.10081	2.4
137.05994	2.0
147.04395	1.7
166.08597	2.9
177.12244	1.8
225.10008	3.2
238.90802	1.7
239.11658	2.7
239.53880	1.7
251.11755	3.8
265.09750	2.8
267.11261	2.8
297.12299	4.6
354.85266	1.8
359.12192	2.8
374.15121	2.3
387.14447	2.2
392.15836	2.2
401.16418	4.3
402.16815	2.5
403.17819	2.3
404.18463	3.1
405.15421	2.4
406.17688	2.7
414.13199	2.4
415.13126	3.4
415.17453	6.0
416.14636	8.7
418.16425	2.5
419.16724	5.9
420.56097	1.8
429.15729	13.6
430.16312	9.0
431.17209	33.3
443.12604	6.4
443.17078	12.3
444.18445	14.8
456.14377	2.1
457.14999	47.4
458.15298	4.9
467.31165	1.9
468.17957	2.6
469.18396	2.5
471.16809	16.9
472.17508	18.5
473.18314	3.5
474.14972	3.7
475.19424	7.3
485.14258	2.8
487.19418	2.6
489.17380	5.7
497.17755	6.1
499.16013	2.5
500.16599	2.8
503.18936	5.3
504.19434	2.5
510.18243	2.3
514.18231	2.7
515.19409	2.8
517.20435	2.8
524.16925	2.7
531.21637	2.7
556.18811	4.9
558.20825	4.7
559.21240	2.7
560.22516	2.0
562.20612	2.1
583.24890	3.1
590.23914	8.3
597.19543	5.3
611.25494	8.6
618.23267	63.9
619.15198	2.5
619.24023	44.6
629.22437	24.6
643.27722	10.8
661.24402	100.0
662.24438	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	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01849	1.0
55.05509	7.2
57.03435	4.9
61.02904	3.0
65.03934	1.3
67.05500	33.7
69.03409	1.9
69.07067	12.5
70.64189	1.7
70.64560	1.8
70.79499	0.8
71.04979	2.9
73.02900	0.8
74.10794	0.8
79.05489	20.6
80.88096	1.0
81.03409	1.7
81.07051	42.9
83.04970	2.2
83.08616	9.8
85.02892	3.8
85.06570	2.1
91.03933	1.4
91.05476	16.1
93.07033	31.0
93.07619	1.6
95.04964	3.6
95.08606	12.2
97.02901	2.2
97.06508	3.9
97.10176	1.4
99.08098	1.9
105.07033	7.8
107.08587	19.1
109.06506	1.1
109.10131	3.2
111.08059	3.7
115.05454	0.9
117.06998	7.0
119.08547	3.2
121.06493	1.7
121.10119	8.5
123.11671	2.7
126.22935	0.7
129.07002	1.4
131.08554	9.1
133.10146	8.0
135.08066	1.4
135.11665	4.5
137.09520	0.9
141.07031	1.4
143.08551	1.8
145.10080	2.3
147.11691	2.2
149.09616	1.8
149.13264	13.3
151.11267	1.6
157.10097	1.6
159.11671	6.0
171.11737	1.1
177.12727	2.8
195.13814	6.7
251.16171	1.4
269.17441	28.3
282.51703	1.0
304.61908	1.0
353.24564	3.4
371.25522	1.0
389.26926	2.0
425.19031	0.8
427.28769	0.9
445.29459	13.2
463.30508	100.0
464.30765	3.8
486.26276	1.0
510.31665	1.0
572.78351	1.1
607.34686	3.4
648.77039	0.9
660.41138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01867	1.5
55.05509	4.5
56.96564	44.5
56.96848	2.3
57.03435	1.9
60.28197	1.0
61.02922	5.2
67.05495	10.2
69.03422	3.1
69.07059	3.9
70.01220	3.6
70.01639	2.1
71.04979	0.9
71.95257	4.1
72.96053	1.7
73.02918	2.4
74.97611	1.0
79.05484	5.4
80.94537	0.9
81.03413	3.3
81.07051	11.8
83.04994	1.9
83.08619	2.2
84.96046	1.1
85.02899	7.2
91.03947	4.2
91.05484	6.5
93.07035	6.8
95.04980	3.1
95.08595	5.3
97.02880	5.3
97.06558	1.2
105.07038	6.2
107.04961	1.2
107.08600	4.3
109.02879	1.2
109.06493	1.1
109.10167	4.3
110.21483	0.9
110.97607	1.1
117.06989	1.5
119.08576	3.9
121.10144	3.0
123.01182	1.6
127.03918	2.1
128.98643	1.9
129.06993	1.0
131.08569	3.2
133.01740	1.4
133.10155	2.9
134.04959	0.9
134.99670	1.1
135.11754	1.6
137.09650	1.5
141.02252	1.3
143.08577	1.0
145.04895	1.6
145.10164	2.2
146.99663	3.9
147.03331	1.2
147.11728	3.3
155.03819	2.4
157.01778	1.8
157.10149	1.1
159.03226	2.2
159.11702	2.0
163.06065	1.2
163.11195	1.0
169.01733	2.3
169.05350	1.4
171.03362	4.5
173.04881	1.6
173.13390	1.0
177.04378	1.2
181.05351	1.2
183.03339	1.2
185.04869	4.8
187.02834	1.2
187.06412	1.1
189.04305	7.8
191.05942	1.9
195.06891	2.3
197.08501	1.2
199.06432	7.4
203.05870	10.1
205.07410	1.2
207.07034	1.7
209.08569	1.0
211.06432	3.4
213.08000	13.5
217.07468	15.9
221.08650	2.1
223.10231	1.2
225.07985	8.7
227.09641	2.6
229.07500	3.1
231.06917	2.7
231.09013	27.6
236.09544	1.0
237.08003	2.4
239.09604	6.9
241.11211	1.9
243.09013	8.5
245.10625	4.3
249.07993	4.4
251.09494	11.9
254.10707	1.8
255.09026	19.8
255.11578	1.2
257.10599	5.6
259.12204	2.2
267.09033	28.9
269.10596	100.0
270.10962	2.4
273.10092	18.3
275.20047	4.4
278.10602	3.4
279.08691	1.1
280.09818	1.5
285.10092	43.4
287.11649	49.6
290.10669	2.7
292.12146	14.8
296.11887	1.4
303.11206	4.6
307.15952	1.6
308.11713	4.3
310.13263	3.0
331.15735	8.4
335.25726	3.0
349.16837	28.9
349.23538	1.8
367.17911	93.2
368.18060	2.6
372.18451	2.4
385.18942	16.6
390.19467	17.8
408.20404	2.1
409.17520	1.0
462.29352	1.1
463.23254	2.4
561.30688	8.8
641.36151	1.6
659.27411	1.8
659.37952	26.4
660.37659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
56.53712	0.4
56.96562	15.8
56.96826	0.7
57.03420	0.4
67.05454	1.7
69.03389	0.5
69.07037	0.9
69.14951	0.3
71.57912	0.6
71.58293	0.5
71.95252	2.0
72.96027	0.8
74.97567	1.1
79.05449	1.2
81.03374	0.7
81.07064	1.9
83.04924	0.5
83.08577	0.7
85.02882	0.6
91.05413	1.2
92.98616	0.7
93.06980	1.2
95.04900	0.4
95.08539	1.0
97.02866	0.4
97.96773	2.4
98.97556	0.5
105.06988	1.2
107.04881	0.4
107.08547	0.8
109.06478	0.5
110.97585	0.8
115.97835	1.9
116.98537	0.4
119.08570	0.7
119.97856	0.3
121.02699	0.4
121.10124	0.6
128.98599	2.5
133.10080	0.5
133.98883	1.8
134.99573	0.7
135.87560	0.3
137.02707	0.5
141.02196	0.5
143.00056	0.4
145.10049	0.9
146.99643	4.3
148.00378	0.7
155.03780	0.8
157.01672	0.6
159.11571	0.5
160.00363	1.3
161.01183	0.8
161.04874	0.7
165.00627	1.4
165.05759	0.4
165.08934	0.4
167.03671	0.6
169.01672	0.6
171.03168	1.1
173.01175	1.3
173.04713	0.4
173.09558	0.4
178.01369	0.5
179.02206	0.5
181.01694	0.4
183.03339	0.5
183.06882	0.5
185.01189	0.8
185.04788	1.6
185.98349	0.6
187.02760	1.3
189.04314	2.4
191.02112	0.7
195.06787	0.4
197.04832	0.8
198.05583	0.6
199.02702	1.7
199.06451	2.3
201.04413	1.0
202.05084	0.7
203.05884	3.0
205.07370	0.8
211.06407	0.8
213.04286	0.8
213.07921	2.5
216.02939	1.0
216.06580	0.8
217.03772	1.4
217.07486	4.2
220.06050	0.5
221.06754	0.5
223.02643	0.8
223.06477	0.7
223.08215	0.8
223.10120	2.3
224.07144	0.5
225.07895	1.2
226.05110	0.6
226.08725	0.6
227.05881	1.0
227.09554	0.6
228.08905	0.5
229.07454	0.8
231.05389	0.7
231.09077	4.8
237.04330	1.2
239.09564	4.3
240.09685	0.3
241.07292	0.8
241.11096	24.9
242.08229	3.5
242.11343	0.4
243.09007	1.2
244.09868	1.0
245.06918	1.1
245.10594	0.9
249.07840	0.5
250.07684	0.4
251.05760	0.4
251.09573	0.4
253.11131	1.7
255.05353	0.6
255.08958	1.5
257.10660	4.0
259.12164	42.4
260.09277	2.9
260.12485	0.8
262.08771	0.5
264.12643	3.3
267.09012	1.6
269.07492	0.6
269.10535	3.7
270.11099	0.5
271.12112	1.9
273.10086	0.9
275.20013	0.7
279.08975	2.4
280.09747	2.9
281.10358	1.0
282.13620	2.3
285.10056	1.4
287.11575	2.6
290.38336	0.5
297.10126	4.6
298.10812	4.8
299.11566	0.7
307.15848	2.6
312.08658	0.9
315.11050	1.2
316.11795	2.8
320.11829	0.5
321.12506	0.7
325.16840	1.3
331.15750	7.7
349.16824	50.3
350.17136	1.3
351.19904	0.4
367.17896	100.0
368.18231	2.3
372.18457	2.9
385.18979	8.1
390.19498	17.5
391.19696	0.9
641.36755	0.6
659.38208	26.4
660.38318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
55.01854	4.9
55.05513	9.5
57.03436	24.9
57.07060	1.1
61.02921	75.6
65.03943	1.7
67.05499	35.8
69.03425	32.4
69.07068	7.5
69.35295	11.7
71.01335	3.0
71.04977	4.5
73.02508	1.4
73.02911	27.4
75.04456	1.1
76.17564	1.2
79.05064	2.0
79.05487	27.6
79.37658	1.0
81.02977	1.7
81.03415	22.2
81.06587	2.1
81.07049	39.1
83.04970	5.2
83.08601	3.7
85.02899	100.0
85.06532	1.4
86.38200	1.1
87.04453	3.6
91.03951	58.1
91.05473	16.7
93.07035	27.8
95.04947	5.8
95.08054	1.9
95.08598	25.2
97.02885	76.0
97.10223	1.1
99.04459	12.7
99.08009	1.1
101.02386	7.1
103.03938	7.4
105.07029	13.1
107.08583	16.4
109.02879	11.7
109.06491	2.1
109.10151	15.2
111.04420	2.9
111.08080	1.5
115.03924	8.0
117.05489	3.3
117.06998	4.4
119.08570	10.6
121.06498	1.3
121.10125	15.8
123.08031	2.1
123.11699	5.3
125.09612	1.2
127.03907	31.5
129.05489	7.3
129.06982	1.8
131.08563	9.4
133.10126	8.7
135.11679	9.9
137.13216	1.4
139.11134	1.3
143.08524	2.7
145.04951	24.3
145.10118	9.2
147.11678	7.6
149.13203	6.5
151.11160	1.1
157.10106	2.6
159.06514	2.6
159.11633	6.5
161.13252	6.3
163.05936	6.4
163.14777	3.6
167.41711	1.2
171.06583	1.1
171.11626	1.8
173.13210	5.7
175.14851	1.6
183.06561	7.9
185.13217	1.1
187.14766	3.2
201.07535	4.8
241.19742	1.4
243.21111	3.0
244.13954	1.4
255.85594	1.0
259.20593	1.8
261.22083	12.1
303.23126	2.0
315.23199	1.5
335.25769	59.3
341.47537	1.2
345.23950	1.4
363.25217	3.8
369.24243	2.1
416.81982	1.3
443.27695	1.7
461.28964	1.5
479.29767	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	659.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01863	4.8
55.05514	11.2
57.03433	25.2
57.07067	2.5
58.55945	1.0
61.02924	91.4
62.94987	1.0
65.03937	2.3
67.05501	43.1
69.03426	34.3
69.07065	8.4
70.06571	1.5
71.01349	3.8
71.04978	5.7
71.28409	1.1
73.02914	30.8
75.04468	1.3
79.05492	31.7
81.03410	26.6
81.07054	44.5
83.01336	1.4
83.04990	5.7
83.08624	3.5
85.02901	100.0
85.06532	1.4
87.04449	2.1
88.07609	1.3
89.16698	1.1
91.03950	58.6
91.05473	18.5
93.07036	32.9
95.04978	6.7
95.05499	1.2
95.07983	1.5
95.08599	37.0
97.02885	78.5
97.06530	3.3
97.10168	2.7
99.04444	13.5
101.02395	8.8
103.03918	10.5
105.04524	1.1
105.07034	14.6
107.04948	1.9
107.08586	18.7
109.02869	12.4
109.06517	2.6
109.10146	17.5
110.68958	1.1
111.04424	2.7
115.03917	7.3
117.05494	2.4
117.07029	6.6
119.08566	13.6
121.06522	1.3
121.10147	16.8
123.08062	1.2
123.11684	9.0
123.90730	1.2
125.09621	1.3
127.03909	32.9
129.05453	7.1
129.07001	2.2
131.08542	8.5
133.10129	9.3
135.11664	12.3
137.05997	1.9
137.09619	1.7
137.13263	2.4
143.08559	2.0
145.04964	21.4
145.10135	7.2
147.11739	7.5
149.13245	8.2
157.10071	2.3
159.06561	3.0
159.11676	8.0
161.13261	6.3
163.06021	4.7
163.14854	4.6
171.06627	1.8
171.11681	2.6
173.13243	8.0
175.11215	1.8
175.14851	2.4
177.16292	1.4
179.14226	1.8
183.06525	14.1
187.14883	2.6
199.14761	1.5
201.07561	7.7
205.15912	1.5
216.09976	1.1
243.21075	6.1
256.26334	1.6
259.20581	2.9
261.22156	18.5
333.24170	1.6
335.25781	83.7
341.24545	1.6
351.22995	1.7
363.25293	3.2
369.24521	1.9
377.26825	1.4
443.27655	2.3
461.28702	1.9
479.30185	5.7
497.30838	1.9
659.36121	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	658.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
52.03177	0.2
53.03928	0.4
55.01857	0.7
59.18995	0.2
60.08155	0.6
61.57602	0.3
65.03931	0.6
67.05512	0.3
69.07038	0.2
69.21552	0.2
69.44543	0.2
69.44877	2.1
70.06571	0.5
71.04964	0.3
79.05476	1.0
81.02982	0.4
81.03417	5.0
81.07044	0.4
83.04958	0.3
85.02882	0.8
86.09695	2.1
91.05476	3.5
93.07037	0.3
94.04161	1.1
95.04964	0.5
103.05434	0.9
104.10701	0.4
105.07008	1.9
107.04934	0.7
109.06502	0.4
115.05457	0.8
117.07024	0.4
119.04919	2.8
120.08137	0.4
121.06505	0.5
121.10050	0.2
122.03643	3.6
123.04436	0.5
124.99992	1.1
125.05975	0.4
128.06221	0.5
128.98601	0.3
129.06985	1.4
130.04129	0.5
131.04900	1.3
133.02847	0.3
133.06461	1.7
135.04384	0.2
135.08057	0.2
137.05969	100.0
138.06335	0.5
141.05487	0.2
143.04939	0.6
144.05717	0.4
145.06471	0.8
147.04404	3.8
147.48039	0.2
149.00546	0.3
149.06012	0.6
151.03902	3.5
151.07512	1.5
157.06506	1.4
159.04387	0.4
160.05193	1.1
161.05978	4.6
162.06741	1.8
163.07510	0.7
165.05620	0.2
167.07057	0.6
168.07420	0.3
173.05986	0.5
174.06746	0.4
175.07544	9.7
177.05473	0.6
177.09116	0.2
178.00861	0.5
179.07051	1.1
181.04991	0.3
184.07333	5.7
185.06017	0.6
187.07487	2.2
189.09109	1.9
193.03177	2.7
193.12206	0.2
197.05885	0.2
199.07530	1.1
205.08589	11.7
206.08882	0.3
207.10133	0.4
217.08594	3.3
219.08116	0.3
229.08630	0.4
235.09651	2.8
241.08560	0.3
251.06976	0.3
253.08682	0.3
265.08539	0.3
267.10217	0.9
267.15704	0.2
282.07733	0.2
283.09387	0.3
285.11264	0.3
297.11270	0.5
299.12790	0.7
303.10370	0.3
307.09592	0.2
313.11151	0.3
323.12811	0.5
327.12296	0.3
335.12735	0.6
347.12939	0.5
357.13272	0.4
365.13879	0.4
438.73981	0.2
487.17532	1.9
489.18979	0.3
519.20032	0.4
626.25385	0.5
629.56207	0.2
659.19476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14871	2.0
53.03936	8.4
55.01869	27.7
55.05512	47.2
57.03430	14.0
57.07061	2.3
59.05010	3.5
61.60321	2.2
65.03940	2.4
67.05502	76.7
69.03419	7.7
69.07066	38.5
69.35956	18.7
69.36369	4.2
76.14678	2.3
76.18271	2.3
79.05495	65.3
81.03411	8.1
81.07052	67.2
83.04973	11.0
83.08614	18.2
85.06545	4.2
91.04906	3.5
91.05475	60.5
93.07044	55.6
95.01331	3.2
95.04971	30.5
95.08606	31.2
97.02879	5.9
97.06532	35.3
97.10168	22.4
105.07031	56.9
107.04962	24.7
107.08596	46.0
109.06527	22.7
109.10150	18.5
111.08120	5.2
113.06015	10.0
117.07047	24.8
117.84902	2.2
119.04942	2.5
119.08577	37.7
121.06522	9.9
121.10135	18.2
121.10876	3.3
123.04439	3.4
123.08055	9.4
123.11704	4.9
125.09642	20.4
129.07001	10.9
130.07700	2.5
131.08563	24.9
133.06474	7.0
133.10130	28.9
135.08058	18.0
135.11699	9.2
137.09644	6.2
141.06947	3.8
143.08536	12.3
145.06422	3.2
145.10120	28.2
147.08057	9.1
147.11694	19.5
149.09599	20.5
149.13220	5.5
149.76663	2.8
151.11163	5.7
155.08540	3.9
157.10146	9.2
159.08118	4.8
159.11682	14.5
161.09644	7.0
161.13243	8.1
161.93069	3.4
162.72093	2.4
163.11186	10.8
165.09138	3.2
169.10092	5.3
171.11729	8.5
173.13249	7.2
177.12744	5.5
179.14232	6.4
181.10178	5.0
183.11748	6.6
185.13225	2.9
187.11208	4.7
189.11266	8.9
197.13203	2.8
199.00403	2.1
205.12251	3.2
213.12766	2.4
217.15923	2.8
223.13152	11.6
227.12805	16.8
229.19527	3.4
233.15317	2.5
239.17963	5.1
245.18925	4.0
257.18964	8.4
273.18491	24.4
275.20071	66.7
277.21741	2.6
291.19534	100.0
293.21268	6.6
302.22281	2.5
305.17255	2.6
347.21976	4.7
349.23727	32.3
365.23148	24.2
410.14273	2.4
460.00836	2.6
511.15982	8.0
523.15802	3.3
531.08301	2.4
541.16931	3.3
543.36786	4.2
597.19604	4.0
621.41022	5.4
639.42340	39.9
640.42664	2.9
657.21588	19.2
657.43506	15.0
658.22137	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	657.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01867	7.7
55.05508	18.4
57.03433	26.4
57.07068	2.7
57.34542	1.6
61.02925	94.2
61.21257	1.7
65.03928	2.6
67.05501	40.6
69.03429	34.8
69.07062	13.7
71.01337	6.9
71.04974	4.7
73.02914	32.1
75.04449	1.8
79.05489	43.3
81.03415	28.7
81.07054	36.4
83.04982	7.4
83.08620	9.1
85.02901	100.0
85.06533	4.4
87.04446	2.7
91.03957	54.4
91.04534	3.0
91.05475	41.5
91.06020	3.0
93.06473	2.9
93.07041	44.7
95.04980	9.1
95.08601	24.5
97.02885	69.7
97.06521	5.5
97.10157	6.5
99.04453	10.2
101.02378	7.5
103.03941	6.6
103.05457	2.7
105.07027	41.2
107.04942	5.2
107.08589	24.4
109.02859	10.3
109.06497	5.0
109.10138	10.6
111.04445	4.5
111.08057	3.2
115.03929	5.9
115.04660	1.6
115.05421	2.7
117.05515	3.0
117.07016	20.0
119.08569	36.8
121.06491	5.1
121.10148	19.7
123.04438	2.6
123.08061	4.0
123.11719	3.7
125.09633	2.8
127.03905	24.6
128.06229	4.8
129.05478	6.9
129.06999	14.6
131.08568	26.2
133.06488	3.0
133.10129	24.2
135.08060	5.0
135.11661	14.4
137.05981	5.6
137.09608	2.1
139.07596	1.9
141.06958	5.2
142.07788	4.0
143.08580	13.4
145.04968	19.6
145.06273	2.3
145.10110	17.9
147.08029	2.4
147.11671	17.9
149.09575	5.2
149.13255	7.0
155.08571	5.5
157.10155	11.2
159.08072	2.8
159.11691	16.3
161.05974	1.8
161.09618	2.2
161.13264	11.6
163.06023	5.2
163.11153	2.2
163.14835	2.2
165.07010	1.7
165.12737	2.3
167.08562	3.4
167.96532	1.6
169.08919	1.4
169.10097	8.9
171.08073	3.0
171.11667	13.2
173.09662	3.8
173.13246	10.9
175.11295	2.1
175.14864	5.6
177.12796	1.6
178.07726	1.6
179.08630	1.5
181.10121	4.5
183.06532	3.2
183.11717	7.3
185.09555	2.6
185.13284	8.6
187.11211	2.5
187.14842	4.7
189.12785	2.7
193.10088	1.7
193.12402	1.5
195.11734	4.9
197.09613	1.6
197.13206	4.6
199.11191	2.8
199.14825	3.9
201.07591	2.5
201.12793	1.9
203.14293	2.0
207.07787	1.7
207.13562	2.1
208.72145	1.6
209.09581	1.9
211.11201	1.5
211.15059	1.9
213.12729	2.6
217.19504	1.8
231.21167	2.1
241.19510	8.9
249.14857	1.8
257.19168	2.4
259.17862	2.8
259.20535	19.0
267.15823	3.5
271.20569	4.4
273.22067	1.7
275.20038	2.6
277.21661	3.2
283.20554	2.5
289.21603	2.3
299.20114	2.1
301.21652	6.4
307.20721	2.0
313.21509	2.7
315.23318	2.2
321.21994	1.8
325.21698	4.4
333.24219	29.1
339.23065	3.8
343.22583	2.4
345.24420	2.3
361.23511	2.6
363.25244	3.2
367.22711	6.9
375.25345	5.4
385.23880	3.2
387.25253	3.3
403.24692	3.9
417.26196	3.3
423.25351	2.2
429.26749	1.8
441.26498	14.2
442.26807	5.3
459.27356	10.6
460.27612	3.9
477.28525	10.6
495.29083	7.1
621.32837	1.8
657.34314	5.2
657.43329	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	656.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05504	25.6
57.03430	5.2
58.05830	2.5
58.31455	2.7
61.02921	4.3
65.03937	2.8
66.86977	2.6
67.05497	32.9
69.03420	5.7
69.07059	13.4
69.60691	2.7
73.02901	3.3
79.05496	32.4
81.03407	5.9
81.07055	25.4
83.08620	17.0
85.02897	7.5
91.03951	3.0
91.05466	24.4
93.07037	24.9
95.04961	7.7
95.08590	11.1
97.02917	3.5
97.10164	29.2
103.05454	14.3
105.07026	25.4
107.08579	15.2
109.06494	5.4
109.10161	8.0
111.08027	2.6
115.05462	6.1
117.07016	38.2
119.08568	15.7
121.06567	3.1
121.10130	6.8
123.08044	5.3
125.09621	30.2
127.03912	8.1
129.07021	16.7
131.04904	4.2
131.08549	26.9
133.06485	8.3
133.10136	10.4
134.23849	2.8
135.08080	7.7
137.05969	6.0
141.06995	7.6
143.08562	10.3
145.06479	7.6
145.10123	8.4
147.08043	4.0
147.11722	5.8
149.09592	4.4
153.06958	2.9
155.08585	12.0
157.06470	3.8
157.10109	6.7
159.08080	3.3
159.11717	4.0
165.09111	4.1
167.08563	5.8
169.10129	8.7
171.11674	7.0
173.09544	4.2
173.13278	4.1
175.11121	3.9
187.14818	12.3
189.11253	15.8
195.11725	4.3
197.13297	9.9
215.14276	48.1
227.12695	17.8
229.14445	3.5
271.17072	4.5
339.22974	3.7
349.21561	5.6
367.22687	16.9
385.23666	12.5
403.24658	3.6
441.26364	60.2
459.27390	100.0
460.27292	4.1
477.28613	17.2
656.40820	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	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.8
55.01861	13.2
55.05510	33.5
57.03445	36.6
57.03689	8.9
61.02921	75.7
63.49242	5.3
67.05502	80.7
69.03430	54.8
69.07053	19.9
69.64704	42.2
70.55333	5.5
71.04966	9.6
73.02905	43.0
79.05488	70.1
81.03413	56.1
81.06644	7.6
81.07053	72.0
83.04977	14.1
83.08619	15.9
85.02428	8.8
85.02898	100.0
85.06531	9.0
90.23792	6.6
91.03945	60.4
91.05478	61.7
93.07044	75.7
95.04962	18.6
95.08607	37.3
97.02883	86.0
97.06520	14.1
101.02335	8.4
101.05948	5.9
103.03881	7.1
105.07017	66.8
107.04932	14.1
107.08601	38.3
109.02876	10.8
109.06492	10.0
109.10155	32.7
111.08096	8.4
117.07005	29.1
119.08569	41.0
121.06526	7.2
121.10135	31.0
122.60793	6.5
125.09633	7.2
127.03918	41.9
129.05460	17.9
129.06999	15.5
131.08534	37.3
133.06465	7.3
133.10130	32.1
135.11668	24.2
143.08566	15.8
145.04922	17.5
145.06540	8.2
145.10124	29.2
147.11652	24.8
149.13228	14.3
151.07547	7.8
155.08530	7.7
157.10173	14.1
159.11693	23.3
161.13266	12.9
163.11148	10.3
169.10115	8.8
171.11758	16.5
173.04416	7.0
173.13266	17.9
175.14772	7.7
181.10104	8.8
185.13200	7.5
195.11784	9.9
199.14929	8.6
229.14198	7.9
241.19492	9.6
259.20499	18.7
269.17474	7.9
273.18591	7.3
301.21683	8.8
333.24158	39.6
367.22632	10.2
375.25336	6.7
441.26187	14.7
459.27469	14.0
477.28177	13.1
495.29453	14.1
512.19287	42.0
512.83899	7.2
657.35150	7.6
658.24738	62.8
668.32648	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	655.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03447	4.2
57.06786	1.9
57.07072	38.1
61.02931	8.6
62.26972	0.8
67.05502	14.1
69.03422	1.8
69.06794	0.7
69.07068	9.4
69.24549	0.8
69.87420	2.0
69.87843	3.4
71.08627	30.5
73.02892	3.2
75.04474	2.1
79.05477	4.5
81.03413	1.0
81.07051	16.9
83.04999	1.4
83.08611	12.4
85.02900	9.0
85.10177	15.7
87.56241	0.9
91.03941	8.2
91.05483	4.4
93.07025	3.8
95.04959	1.4
95.08598	27.6
97.02885	5.1
97.10152	6.9
98.21399	1.5
99.11756	1.8
103.07568	1.1
105.07012	1.5
106.46093	0.9
106.92990	1.0
107.04964	1.4
107.08559	2.5
109.06496	1.1
109.10152	10.6
111.11712	1.4
117.07014	1.7
119.08569	2.5
123.11684	3.1
125.09709	1.1
127.03888	3.4
129.06995	1.0
129.77043	0.8
131.08548	1.9
133.10100	2.3
137.13271	2.2
143.08546	1.8
145.04916	3.7
145.10066	2.4
147.11703	1.0
155.75055	1.0
159.08070	1.3
163.05994	3.9
221.22684	1.5
223.13292	1.0
239.23665	28.4
257.24789	2.9
273.18503	2.6
291.19342	2.6
313.27347	100.0
314.27695	2.0
331.28433	12.4
421.78217	0.8
436.52658	1.0
475.32874	1.6
490.05502	1.0
501.95660	0.9
637.40887	1.5
655.27753	2.0
655.40631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
56.38481	0.6
57.07063	2.1
67.05503	5.1
69.07069	5.5
79.05480	3.4
81.07053	14.6
83.08617	2.0
91.05482	2.5
93.07027	7.8
95.08606	26.1
96.99032	0.7
97.10146	1.1
101.35300	0.6
105.07034	5.0
107.08595	11.2
108.58734	0.5
109.10160	12.2
111.11751	0.9
115.85818	0.6
117.06990	0.8
119.08570	7.2
119.09214	0.5
121.10133	11.3
123.11701	7.0
123.54494	0.6
128.22169	0.6
131.08557	3.1
133.10132	4.7
135.11678	7.2
137.13275	6.8
145.10115	4.2
147.11636	4.1
149.13255	8.0
153.09109	0.8
157.01126	1.7
157.10143	1.1
159.11679	3.2
161.13242	3.2
163.00009	6.2
163.01105	0.6
163.14882	2.0
173.13293	2.4
175.14859	2.3
177.16464	1.9
179.17982	0.6
181.01163	1.6
182.79942	0.6
187.14792	1.5
189.16351	10.1
191.17947	3.3
199.02135	25.5
199.14851	1.1
201.16380	13.2
203.18002	5.2
205.19490	5.3
213.16447	1.3
215.17938	9.4
217.01096	1.5
217.03186	29.8
217.19603	1.1
240.04782	0.9
243.21210	2.4
247.16940	2.0
255.21222	1.1
257.22629	1.4
261.18564	1.8
264.33978	0.5
393.35248	1.0
413.61734	0.6
439.35971	2.0
461.33752	5.1
479.34924	11.4
509.32263	0.7
520.37677	1.2
521.36060	1.0
597.54010	0.6
655.38123	100.0
656.38220	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	655.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	1.5
55.05507	22.0
57.07071	20.3
65.03920	1.6
67.05495	3.2
69.07056	1.4
69.34885	13.3
71.04982	4.2
78.84694	1.2
79.05495	1.7
79.24360	1.2
81.07048	3.7
83.04974	100.0
91.05450	5.9
93.07025	2.5
95.04953	3.1
95.08597	2.3
97.10259	1.2
98.98467	5.1
100.11269	1.3
105.07034	3.4
111.57339	1.4
117.07013	2.5
119.08609	2.8
128.06186	7.7
129.06998	12.9
133.10167	2.1
134.01529	1.3
141.06985	2.3
147.08037	10.3
147.11678	14.9
157.07585	1.7
159.08069	1.5
169.07686	1.7
175.01543	46.5
181.02594	63.1
185.13300	2.1
187.01550	3.0
193.02679	2.5
199.03673	4.0
227.04645	28.4
231.07672	3.0
239.04724	4.1
257.05786	6.5
283.10968	6.2
313.11951	42.2
331.12891	2.6
335.37848	1.4
351.15842	1.4
365.52783	1.3
369.18253	22.4
487.12799	5.3
491.27478	1.5
543.19037	64.0
544.19104	1.5
549.32086	2.6
594.24139	1.4
597.35339	5.0
599.25262	83.3
623.25177	1.8
655.30994	27.1
655.40082	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	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28112	0.2
54.69099	0.2
55.05503	1.1
57.07065	0.5
67.05495	1.3
68.97464	0.3
69.03412	0.3
69.07057	0.5
69.45021	1.9
75.04472	0.3
79.05502	0.9
81.07043	1.9
83.04983	2.0
91.05492	1.5
93.07040	1.2
95.04989	0.3
95.08595	0.8
101.44284	0.2
105.07019	1.2
107.04977	0.5
107.08601	0.8
117.06994	0.6
119.08575	0.5
126.83714	0.3
129.06999	0.5
131.08560	0.5
133.10133	0.5
133.65013	0.3
135.11626	0.3
147.08047	0.5
147.11662	0.7
154.25452	0.3
175.01640	0.4
181.02600	1.4
227.04672	0.5
271.31772	0.3
273.18451	0.4
289.18060	0.3
291.19580	0.9
313.12128	0.8
377.17767	0.8
379.19302	0.4
389.17426	0.4
390.18845	0.4
391.19171	1.6
392.20007	0.4
393.20926	0.9
405.16269	1.9
405.20993	1.1
406.17282	0.6
406.21802	0.9
407.22433	5.4
408.23331	0.4
418.17773	0.8
419.18280	4.0
419.27200	0.3
420.18781	1.8
421.19742	1.3
433.20419	6.5
434.21179	5.3
435.21802	9.9
436.22568	0.5
446.21124	0.6
447.17862	2.0
447.22198	2.1
448.18750	1.3
448.23270	1.0
449.19183	2.3
451.21039	0.4
460.22900	0.4
461.19684	2.0
462.20270	5.3
463.21295	4.8
475.21231	1.6
476.21960	1.3
477.22769	1.5
479.20361	0.6
489.22998	0.9
490.23459	0.3
491.20917	0.5
493.21158	1.4
493.26825	0.3
494.22803	0.5
495.23883	1.5
506.23206	0.5
507.19391	0.5
507.24533	0.8
508.24457	1.8
509.25421	2.2
521.25653	12.0
522.24963	0.3
534.23761	0.4
535.23761	0.8
543.18958	0.6
547.26953	0.9
549.24933	21.7
550.25201	0.5
553.24091	1.4
563.26819	2.3
564.27301	0.7
577.24377	0.9
581.27515	3.4
595.29193	10.2
599.25433	1.5
607.29077	0.4
609.26990	10.9
610.27600	0.4
623.28040	1.4
655.31201	100.0
656.31458	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	655.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79677	1.2
55.82521	1.1
56.63859	1.3
58.22398	1.2
68.51444	1.7
84.53664	1.4
124.96294	1.3
139.50499	1.3
211.12286	1.6
223.08655	1.5
223.12326	2.0
225.13861	2.1
236.09180	1.4
251.11786	1.3
253.13356	1.8
265.13373	1.8
266.14291	2.1
281.47876	1.4
283.17325	1.3
293.09412	1.5
409.22372	1.3
418.17715	1.9
432.19260	1.7
433.20135	2.8
445.16602	1.8
447.21927	4.8
457.16586	1.9
460.18893	1.7
461.19846	3.1
462.20578	2.7
475.21347	15.7
476.21765	3.9
477.22891	3.8
491.20920	1.8
492.20267	1.7
503.20837	4.0
535.23102	8.8
536.25073	1.6
537.21271	3.0
547.23376	2.1
551.78540	1.4
552.23706	2.0
561.24329	1.4
562.25458	4.1
563.26953	8.0
567.26263	2.1
577.23907	1.5
579.25598	3.9
590.24670	4.7
593.25946	4.4
594.28009	5.4
595.25574	7.5
605.24030	4.0
606.24323	2.6
607.25281	3.7
609.26636	4.8
622.27832	100.0
623.25079	7.4
627.27710	4.5
632.29633	1.4
637.26495	4.2
638.26373	3.2
655.27271	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	655.2757
Annotation	Karajinone A
Peak:m/z	Relative Intensity
55.05497	6.1
57.07063	5.2
67.05491	2.5
75.40411	1.5
79.05482	2.6
81.07057	3.9
83.04968	25.3
91.05486	3.0
95.04945	2.2
95.08581	2.7
96.50130	1.5
98.20727	3.7
98.98463	1.6
105.07015	1.7
109.06537	1.6
109.64954	1.3
118.85606	1.6
119.08595	1.7
123.68538	1.5
125.05946	1.5
128.06224	2.5
129.06996	4.1
131.08533	2.4
133.10110	2.1
137.05937	6.4
147.08035	2.9
147.11670	5.0
175.01587	10.6
179.10663	2.4
181.02600	16.7
197.11700	4.9
220.89452	1.6
223.12291	2.1
224.13052	1.9
225.13866	2.3
227.04655	7.5
236.13080	2.1
237.13844	6.5
238.14627	3.7
249.13731	2.7
251.15479	4.4
252.16127	2.3
253.17026	4.0
257.05768	1.7
261.13806	7.3
280.88873	2.1
301.15625	1.5
313.12061	11.2
339.17090	2.2
349.16400	1.7
367.19272	2.6
369.18204	5.0
377.17776	2.1
379.19308	2.7
381.20789	2.9
391.19357	2.7
395.18555	2.8
396.19342	2.2
405.16849	3.9
407.18579	4.5
409.20218	3.2
419.18420	1.7
421.20303	2.0
437.19278	2.1
439.21466	3.0
448.18915	2.7
449.19696	4.0
450.20593	2.7
463.21481	1.9
465.19193	5.5
469.26187	2.2
479.24191	3.8
480.21307	1.8
481.22040	2.3
482.22910	3.0
497.25296	4.7
507.23978	4.6
510.22458	3.4
514.25873	4.3
525.25250	7.1
525.32928	1.4
529.28046	6.3
535.23242	1.8
539.25323	1.8
542.25562	2.0
543.19055	13.9
553.24237	5.8
557.27234	4.5
563.22540	2.5
565.27966	2.2
567.25745	4.9
569.27704	3.4
581.23999	5.4
585.27051	21.9
595.25421	100.0
599.25201	23.4
613.26526	90.1
614.25397	1.7
623.25653	2.0
655.30182	13.5
655.41113	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	654.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01862	7.2
57.03434	3.8
58.43467	1.5
61.02909	4.1
62.19891	1.5
65.03934	1.8
69.03424	20.7
69.52349	3.8
69.52761	10.1
69.80192	1.9
70.06563	1.9
71.04987	3.8
73.02901	6.4
73.89655	1.5
79.05476	4.5
81.03412	27.3
81.07063	2.1
85.02902	55.3
86.09669	2.1
87.00824	20.4
87.04478	2.3
88.31070	1.6
89.03885	1.5
91.03944	1.6
91.05461	4.3
95.04948	4.7
97.02882	26.2
99.04453	11.7
103.05478	3.8
105.01864	14.8
105.07024	2.2
107.04948	8.5
108.04459	6.8
109.02874	25.0
111.04451	1.8
115.05458	9.5
117.03379	2.1
117.07005	12.5
119.04952	4.8
122.03642	2.9
123.04439	2.7
124.05235	2.0
125.05934	2.1
127.03920	38.7
128.06215	2.7
129.01837	3.1
129.07004	8.2
131.04919	5.2
131.08499	2.0
137.05969	92.9
141.07024	2.3
143.04926	8.4
144.05704	4.1
145.02834	8.6
145.04935	14.1
145.06477	28.4
146.93022	1.6
147.02823	1.7
147.04417	4.5
149.05986	3.4
153.01781	2.1
153.05403	2.3
155.06027	4.0
156.05704	5.7
157.06511	8.3
159.02901	16.0
159.08043	7.4
160.05197	17.0
161.05977	4.6
163.07518	2.5
167.07030	39.1
172.05183	3.6
173.05963	52.7
174.06699	4.0
175.03928	4.1
175.07541	99.8
177.05438	11.1
187.07526	45.0
189.09081	7.1
190.06253	20.0
191.06967	2.9
193.08559	2.2
202.06253	1.7
203.07037	4.9
205.08589	100.0
207.06516	6.2
213.04015	2.0
215.06995	2.3
217.08588	43.9
219.10184	2.7
231.04926	6.7
235.07693	2.1
235.09645	50.4
239.07057	2.3
241.08563	4.7
247.07469	2.5
247.09694	10.6
249.09050	3.0
261.09146	5.7
263.07022	2.8
265.10724	36.0
269.07892	2.3
277.08533	3.3
278.09363	3.6
281.11566	1.7
285.07581	7.1
286.08054	1.9
287.05466	14.4
289.97452	1.8
293.11673	4.0
295.09558	1.8
300.09903	13.9
301.10706	7.4
302.04071	2.0
309.11118	5.6
313.10892	1.9
316.08899	2.0
317.06412	15.9
321.11206	6.7
323.09198	2.5
325.10843	2.7
326.11398	1.9
338.11276	2.0
339.12341	1.7
341.13974	9.8
353.13745	20.4
355.15408	3.4
371.14871	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
55.01862	7.2
57.03434	3.8
58.43467	1.5
61.02909	4.1
62.19891	1.5
65.03934	1.8
69.03424	20.7
69.52349	3.8
69.52761	10.1
69.80192	1.9
70.06563	1.9
71.04987	3.8
73.02901	6.4
73.89655	1.5
79.05476	4.5
81.03412	27.3
81.07063	2.1
85.02902	55.3
86.09669	2.1
87.00824	20.4
87.04478	2.3
88.31070	1.6
89.03885	1.5
91.03944	1.6
91.05461	4.3
95.04948	4.7
97.02882	26.2
99.04453	11.7
103.05478	3.8
105.01864	14.8
105.07024	2.2
107.04948	8.5
108.04459	6.8
109.02874	25.0
111.04451	1.8
115.05458	9.5
117.03379	2.1
117.07005	12.5
119.04952	4.8
122.03642	2.9
123.04439	2.7
124.05235	2.0
125.05934	2.1
127.03920	38.7
128.06215	2.7
129.01837	3.1
129.07004	8.2
131.04919	5.2
131.08499	2.0
137.05969	92.9
141.07024	2.3
143.04926	8.4
144.05704	4.1
145.02834	8.6
145.04935	14.1
145.06477	28.4
146.93022	1.6
147.02823	1.7
147.04417	4.5
149.05986	3.4
153.01781	2.1
153.05403	2.3
155.06027	4.0
156.05704	5.7
157.06511	8.3
159.02901	16.0
159.08043	7.4
160.05197	17.0
161.05977	4.6
163.07518	2.5
167.07030	39.1
172.05183	3.6
173.05963	52.7
174.06699	4.0
175.03928	4.1
175.07541	99.8
177.05438	11.1
187.07526	45.0
189.09081	7.1
190.06253	20.0
191.06967	2.9
193.08559	2.2
202.06253	1.7
203.07037	4.9
205.08589	100.0
207.06516	6.2
213.04015	2.0
215.06995	2.3
217.08588	43.9
219.10184	2.7
231.04926	6.7
235.07693	2.1
235.09645	50.4
239.07057	2.3
241.08563	4.7
247.07469	2.5
247.09694	10.6
249.09050	3.0
261.09146	5.7
263.07022	2.8
265.10724	36.0
269.07892	2.3
277.08533	3.3
278.09363	3.6
281.11566	1.7
285.07581	7.1
286.08054	1.9
287.05466	14.4
289.97452	1.8
293.11673	4.0
295.09558	1.8
300.09903	13.9
301.10706	7.4
302.04071	2.0
309.11118	5.6
313.10892	1.9
316.08899	2.0
317.06412	15.9
321.11206	6.7
323.09198	2.5
325.10843	2.7
326.11398	1.9
338.11276	2.0
339.12341	1.7
341.13974	9.8
353.13745	20.4
355.15408	3.4
371.14871	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27907	0.4
53.03936	1.3
55.01859	2.1
56.20436	0.3
57.03416	1.6
61.02908	0.9
65.03923	0.4
68.99771	0.9
69.03424	5.4
69.07112	0.3
69.78259	2.4
70.06590	0.8
71.04967	1.0
73.02900	1.6
78.04700	1.7
79.05486	4.2
81.03407	6.2
81.07036	0.8
83.04956	0.5
85.02897	11.6
87.00822	4.3
91.05476	4.6
93.07042	0.7
95.01295	0.5
95.04951	2.0
97.02882	5.0
98.43887	0.4
99.04451	2.7
99.04987	0.5
103.05442	1.5
105.01866	2.9
105.07013	5.6
106.04134	0.9
107.04951	7.8
108.04457	1.4
109.02869	5.7
111.04422	0.5
115.05433	2.2
117.01818	1.1
117.06977	1.6
118.04165	0.8
119.04917	2.3
119.08556	2.2
121.06501	1.4
123.04422	4.3
123.08047	0.6
124.05196	2.4
125.05984	1.1
126.05479	0.9
127.03915	7.7
128.06213	1.8
129.01843	0.7
129.06993	5.5
130.04149	0.6
131.04898	3.7
131.08577	0.8
132.05690	1.1
133.06499	4.2
135.04395	0.5
136.05165	1.0
137.05986	2.6
140.04680	0.4
141.06993	0.5
143.04907	0.5
144.05687	0.9
145.04993	2.5
145.06500	2.4
145.10138	0.7
147.04353	1.0
147.08047	3.1
148.05130	0.5
149.05959	1.2
151.03877	1.1
151.07520	2.9
152.04697	1.7
153.05453	1.5
155.04918	0.8
155.07027	0.5
156.05687	0.8
157.06456	1.2
159.02893	2.9
159.08040	4.7
160.05186	1.0
161.05965	9.1
161.09612	1.2
162.46388	0.4
163.07518	1.1
163.11203	0.5
165.01767	0.4
167.07024	100.0
168.07344	1.2
169.06477	0.9
171.08031	0.8
172.05153	1.1
173.05939	0.8
174.06718	0.5
175.07529	21.2
176.04671	1.1
177.05431	2.8
177.09073	0.7
178.07744	0.9
179.07040	5.7
179.08533	0.7
181.08568	0.8
184.05141	0.6
185.05997	0.9
187.07541	17.5
187.11116	0.6
189.07007	0.9
189.09099	1.8
190.07756	1.0
191.07007	9.0
191.08539	0.7
191.10397	0.4
193.08571	3.6
193.10085	0.7
199.07523	6.8
201.05562	0.4
201.09169	0.5
202.07832	0.7
203.08485	1.4
205.06644	0.7
205.08449	2.1
206.07231	1.8
207.06369	0.5
207.08124	0.5
209.08015	2.2
213.03989	0.6
215.08673	0.6
215.10617	0.5
217.06651	0.5
217.08543	2.0
218.07182	1.2
219.08067	1.5
220.08713	0.4
221.09630	3.4
223.07492	0.7
223.09575	0.6
228.14549	0.4
229.08588	0.6
231.04915	1.1
231.08002	1.2
233.06070	0.4
233.09636	1.8
233.11598	0.5
234.06682	1.7
235.07489	1.5
237.09044	0.5
239.10797	0.4
241.08633	0.5
245.05952	0.5
246.06721	0.6
247.07632	1.7
248.08162	1.2
249.09058	5.1
250.09859	1.0
251.06969	1.6
257.05878	0.4
259.07587	0.5
261.09097	2.8
262.06461	0.7
263.07086	0.9
263.10654	0.5
264.07886	0.4
265.08618	1.6
266.09317	1.2
274.06421	0.5
276.07681	0.6
277.08566	3.6
278.09341	1.3
279.06686	0.5
279.10287	0.8
281.11694	8.7
283.09784	0.5
287.05557	0.8
289.08618	3.0
290.09268	1.2
291.09998	0.8
293.08044	1.1
293.11694	1.8
294.08939	1.7
295.09543	1.1
299.12610	0.7
306.08795	1.4
307.09515	1.1
309.11179	9.6
310.11816	1.0
311.09140	1.0
317.06607	0.7
321.11072	5.0
322.11865	0.9
325.10785	0.4
326.11426	3.4
333.11087	0.6
338.11322	0.8
339.12286	1.2
341.13806	36.6
342.14102	0.7
351.12122	0.7
353.13803	14.4
355.15216	0.6
359.14883	3.7
363.12238	0.8
365.13712	1.2
371.14948	5.8
383.14630	0.9
389.16187	0.8
431.14847	1.0
457.17221	2.5
571.17828	0.5
635.32373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83037	0.2
56.38033	0.3
57.34931	0.2
65.03941	0.2
67.05485	0.7
68.99781	0.3
69.03410	0.4
69.07057	0.4
70.01523	0.5
70.01938	1.1
70.06587	0.6
71.04987	0.5
79.05492	0.4
81.03410	0.6
81.07040	0.7
84.41412	0.2
85.02897	0.7
86.09751	0.3
91.05458	0.6
93.07011	0.7
95.04939	0.3
95.08569	0.3
97.02877	0.3
98.21497	0.3
105.06958	0.5
109.02859	0.4
109.10120	0.3
110.07130	0.4
111.04425	0.5
117.03357	0.6
119.04931	0.3
120.08124	0.2
121.10155	0.5
123.00730	0.2
127.03919	0.4
129.07033	0.3
131.08490	0.4
134.03606	1.0
137.05966	0.4
138.03120	0.5
145.02824	1.4
145.10115	0.4
147.04402	0.7
148.05211	0.3
149.09641	0.3
151.03920	0.3
161.05925	0.3
163.03922	0.4
167.03426	4.5
167.04790	0.5
167.07050	0.3
169.01424	0.4
173.66986	0.3
175.03865	0.8
177.05464	2.6
184.03677	3.6
184.05180	0.6
187.07587	0.4
199.07530	0.4
201.05464	0.7
212.04680	1.0
215.07004	0.6
216.07854	1.0
223.03949	0.5
227.06993	0.9
229.04919	1.2
240.04149	2.4
243.06544	3.5
244.07286	3.3
255.06511	3.4
257.04300	0.5
259.09702	1.1
267.02863	0.8
268.03696	1.3
271.06009	1.0
272.06787	2.1
283.06018	4.1
285.04041	0.5
285.07452	0.3
287.05612	0.5
287.09079	0.5
299.05496	3.4
300.06262	20.0
315.08597	100.0
316.08963	3.0
366.62448	0.3
388.21472	0.3
592.40131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
53.13602	1.3
55.01875	5.7
55.02850	1.7
55.05509	28.5
57.03432	11.5
57.07078	3.1
59.05002	1.5
65.03939	4.2
67.05504	100.0
68.05842	1.7
69.03427	24.3
69.07067	17.3
69.54720	1.8
70.53432	2.1
70.53780	5.9
71.04989	10.9
73.02917	1.7
79.05062	2.7
79.05492	32.6
81.03416	60.2
81.07058	59.0
83.04977	24.6
83.08621	14.3
85.02911	5.9
85.06541	3.8
87.04460	1.7
91.05473	29.8
93.07055	35.7
95.04974	9.8
95.08608	41.8
97.02888	16.4
97.06518	5.4
97.10163	16.2
99.04451	5.9
99.08059	1.9
105.07034	20.7
107.04960	2.8
107.08612	18.0
109.02875	11.2
109.06514	7.2
109.10155	54.6
111.04435	11.4
111.08064	4.7
117.07019	10.6
119.08585	19.5
121.06529	2.4
121.10139	14.4
123.04461	1.6
123.08099	2.5
123.11739	8.4
125.09612	13.5
127.03876	9.0
129.05522	10.3
129.06999	5.3
131.04988	1.6
131.08554	13.8
133.06502	3.8
133.10103	14.1
135.08113	4.0
135.11707	9.8
135.43739	1.8
137.09610	5.5
139.11160	2.1
143.08577	5.0
145.06535	2.6
145.10086	11.0
147.08075	2.6
147.11700	9.7
149.09607	3.1
149.13260	5.2
151.11214	2.5
153.09064	2.0
155.08577	5.3
155.10594	2.0
157.10104	4.8
159.08057	2.7
159.11694	10.0
161.09602	3.8
161.13326	3.4
163.11163	3.3
167.08499	2.0
169.10057	3.6
171.11694	3.7
173.11743	17.3
173.13184	3.6
175.11133	2.4
175.14850	2.6
183.11714	2.9
185.09595	2.3
185.13268	3.4
187.14891	2.3
189.11194	15.3
197.13246	1.9
199.11371	2.1
199.14822	2.1
209.13393	1.8
211.13242	1.9
227.12706	17.1
229.14342	27.3
243.21170	2.0
245.13834	3.6
245.22621	2.5
247.17024	1.8
259.20660	2.6
261.22171	7.0
263.23544	1.9
277.21454	2.4
285.22241	1.7
289.21530	2.8
297.22290	1.9
299.14954	3.8
301.21472	2.4
327.22995	2.0
335.25867	7.8
337.27298	7.9
351.23065	5.5
353.24692	2.2
369.24173	11.5
371.16998	7.6
373.18570	6.3
387.25394	4.6
443.27774	3.0
461.29065	4.0
479.30121	2.9
489.35660	4.9
597.37720	3.1
615.38623	4.4
633.39868	12.4
651.40710	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.1
55.01848	3.7
55.05262	3.5
55.05510	40.6
57.03444	11.4
57.07063	4.3
65.03936	3.8
67.05503	100.0
67.41412	2.2
69.03426	28.6
69.07056	18.5
70.53612	7.1
71.04987	10.4
71.08592	3.3
73.02912	2.1
75.66304	2.0
79.05064	3.1
79.05487	39.1
81.03415	73.7
81.06589	4.1
81.07053	69.8
83.04982	32.0
83.08606	16.1
85.02893	5.4
85.08134	2.0
91.04906	2.5
91.05473	34.9
93.07044	36.4
95.04972	12.2
95.08611	53.6
97.02882	22.8
97.06499	6.1
97.10160	17.9
99.04446	9.3
99.08080	2.4
105.07030	23.7
107.04967	3.9
107.08600	23.8
109.02900	10.2
109.06491	4.1
109.09476	3.8
109.10157	52.0
111.04446	12.0
111.08075	3.2
117.06998	12.0
119.08576	20.7
121.06498	5.7
121.10151	16.9
123.11690	7.7
125.09621	22.6
127.03907	9.9
129.05475	16.2
129.06996	8.9
131.08545	12.2
133.06378	3.2
133.10124	13.4
133.37520	2.0
135.08057	4.5
135.11676	13.3
137.09589	5.2
137.13260	2.2
139.11093	3.6
143.08575	7.3
145.10146	11.3
147.11674	8.1
149.13235	5.4
153.09103	2.8
155.08559	3.5
157.10187	4.6
159.08005	2.8
159.11690	8.8
161.09673	2.8
161.13234	6.2
163.14737	3.6
167.08470	2.8
169.10106	6.5
171.11696	6.8
173.11743	15.3
173.13266	6.6
177.12711	2.4
181.29868	2.6
183.11734	2.7
185.09601	3.1
185.13194	3.4
189.11212	20.5
197.13284	5.0
227.12741	22.7
229.14343	22.9
245.13837	3.6
259.20264	2.4
261.22150	10.5
263.23773	6.0
278.60861	2.8
299.14798	3.2
301.21469	2.9
317.25009	2.7
335.25745	14.2
337.27261	19.8
351.23065	4.9
357.24164	2.6
369.24170	6.8
371.17020	9.3
373.18399	8.7
387.25320	6.1
405.26160	3.8
461.28604	2.7
489.35809	5.1
507.37134	5.4
576.80652	2.3
597.37555	3.3
615.39038	5.1
633.39795	13.8
651.40564	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.6
54.13352	1.9
55.01878	4.2
55.05272	2.5
55.05511	35.7
57.03433	10.4
57.07040	2.2
59.04960	2.7
65.03941	4.7
67.05505	100.0
69.03431	25.1
69.07068	15.4
71.04980	8.4
73.02905	2.0
79.05486	38.5
81.03414	68.3
81.06583	3.7
81.07050	64.0
83.04984	22.9
83.08625	16.0
85.02890	3.6
85.06533	3.4
87.04459	4.2
89.82406	2.1
90.01311	2.2
91.05467	26.8
93.07041	33.6
95.04964	13.6
95.08603	40.7
97.02887	22.2
97.06503	3.8
97.10152	18.4
99.04434	5.2
104.06265	2.1
105.07032	22.3
107.04971	5.1
107.08600	23.2
109.02870	9.1
109.06495	4.3
109.10154	60.4
111.04408	9.3
111.08051	5.5
115.05453	2.1
117.07025	12.0
119.08570	22.9
121.10165	14.7
123.08025	3.0
123.11685	5.5
125.09631	17.3
127.03881	7.9
128.06184	2.3
129.05449	11.1
129.07002	7.0
131.04941	2.7
131.08540	16.6
133.06525	2.8
133.10120	13.0
135.08041	5.3
135.11678	9.3
137.09598	5.8
139.11194	4.2
141.06918	2.5
143.08528	7.1
145.06516	3.0
145.10094	10.1
147.08028	2.7
147.11671	8.6
149.13240	8.5
155.08525	4.0
157.10149	5.0
159.08032	3.8
159.11685	8.4
161.09583	2.4
161.13229	3.4
163.14804	2.2
169.10072	5.1
171.11632	4.7
173.11714	16.1
173.13263	6.5
175.14761	1.9
183.11684	2.8
185.13272	3.2
187.14760	2.7
189.11195	20.2
189.12779	3.3
199.14790	3.1
223.14917	2.6
227.12778	19.7
229.14355	23.7
245.13779	7.8
261.22058	6.1
263.23679	3.6
277.21716	2.2
299.14835	4.2
301.21576	4.1
303.23145	3.2
335.25702	8.7
337.27328	12.9
343.85678	2.1
351.23267	4.2
369.24219	9.5
371.17014	7.6
373.18530	7.7
387.25327	5.8
461.28778	2.2
479.29868	3.4
489.35754	5.1
597.37811	3.1
615.38818	5.9
633.39697	12.0
651.41064	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01859	6.4
55.05265	2.3
55.05510	32.6
57.03432	11.7
59.04988	2.8
65.03925	4.0
67.05502	100.0
69.03430	24.0
69.07063	18.0
70.67265	4.4
71.04993	9.2
73.02908	2.9
79.05492	32.2
81.03414	67.3
81.07051	66.7
83.04977	31.7
83.08620	14.5
85.02901	5.0
85.06528	4.3
91.05471	34.0
93.07041	36.9
95.04972	10.7
95.08604	49.5
97.02891	23.9
97.06504	3.6
97.10160	18.4
99.04444	6.6
104.55305	1.4
105.07029	22.0
107.04926	2.0
107.08582	27.3
109.02889	11.2
109.06526	3.7
109.10149	48.5
111.04439	11.3
111.08078	4.4
111.11710	1.9
117.07017	13.3
119.08566	19.5
121.06465	3.0
121.10131	14.4
123.04419	1.9
123.08071	2.7
123.11740	10.2
125.09630	17.4
127.03908	9.1
128.06209	2.2
129.05499	15.9
129.06978	5.9
131.08565	16.5
133.06410	2.2
133.10129	11.2
135.08044	4.1
135.11684	11.9
137.09598	4.7
137.13258	3.0
139.11198	1.8
141.06964	2.9
142.07703	2.0
143.08540	7.9
143.10587	1.8
145.06517	2.2
145.10115	11.4
147.07993	2.9
147.11740	7.0
149.13220	5.3
153.09090	3.3
155.08530	3.1
155.10675	3.5
157.10114	4.7
159.08087	2.0
159.11662	8.5
161.09581	1.9
161.13245	7.1
162.02141	1.5
163.11183	2.8
163.14818	3.6
169.10085	4.0
171.10199	1.5
171.11632	3.9
173.09583	3.1
173.11717	12.3
173.13272	4.1
175.11325	1.7
175.14838	3.5
181.10052	1.9
183.06502	1.5
183.11681	2.0
185.13249	3.9
189.11221	20.4
189.12759	2.9
199.14937	1.9
209.13329	2.5
211.14845	3.1
213.16412	2.0
227.12782	20.0
229.14305	18.2
245.13803	4.9
261.22122	10.0
263.23761	4.8
277.21802	1.8
277.60172	1.7
297.13321	1.7
299.14893	3.2
301.21597	3.5
303.23236	4.3
315.23157	1.7
327.22919	1.7
327.30093	1.5
335.25970	11.3
337.27380	17.2
341.24512	2.2
345.24191	2.2
351.23199	3.4
369.24179	6.8
371.17001	11.2
373.18518	4.4
375.24658	2.1
387.25266	4.2
393.26160	1.7
405.26361	2.1
443.27866	2.1
461.28598	2.7
479.30023	2.4
489.35547	5.2
507.36575	6.1
531.36041	2.4
559.35876	1.8
597.37183	2.0
615.38568	4.2
633.39868	12.5
651.40741	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	650.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.2
57.07063	5.7
63.13704	3.0
67.05491	16.9
69.07063	16.8
69.63644	25.5
79.05484	8.7
81.07046	41.1
83.08610	10.0
91.05461	8.3
93.07027	26.7
95.08595	67.9
105.07011	18.5
106.31545	2.8
107.08575	40.6
109.10144	47.8
111.60186	3.1
119.08559	29.2
121.10148	35.0
123.11694	21.4
131.08554	6.0
133.10132	25.8
135.11667	33.3
136.58717	2.8
137.13261	20.1
145.10097	11.1
147.11667	19.1
149.13269	35.4
159.11673	8.8
161.13268	15.4
163.14835	13.8
173.13232	4.9
175.14774	10.8
177.16365	9.9
187.14891	5.3
189.16333	34.5
191.17934	74.9
193.19461	3.2
201.16380	45.7
203.17926	61.2
205.19498	48.0
207.17427	4.2
213.16579	3.8
215.17993	19.8
217.19502	18.7
231.20996	5.9
235.16975	9.3
243.21135	5.4
245.22784	3.5
247.16978	33.5
249.18408	15.2
255.21010	3.6
261.18423	6.7
393.35403	16.1
411.36060	3.8
439.35657	100.0
440.36005	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	649.3938
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
53.03931	6.8
55.01863	6.9
55.05510	39.2
57.03433	14.6
57.53545	2.5
59.04983	4.6
61.02914	11.7
65.03924	3.1
67.05500	100.0
69.03427	20.4
69.07069	16.2
69.81609	12.1
69.82014	4.1
71.01340	2.9
71.04986	10.5
71.37807	2.2
73.02917	7.0
79.05486	46.6
81.03412	41.1
81.07051	54.4
83.04962	17.6
83.08611	19.9
85.02899	17.8
85.06548	4.1
91.03967	3.3
91.05468	45.5
91.35699	2.8
93.07038	52.1
94.63690	2.7
95.04975	16.2
95.08607	35.4
97.02870	26.2
97.06512	5.1
97.10165	22.8
99.04452	7.6
99.07926	2.4
105.07025	50.6
107.04939	5.4
107.08601	32.0
109.02866	5.7
109.06516	8.6
109.10159	49.4
111.04456	7.3
111.08054	5.7
115.05461	3.1
117.07024	21.6
119.08556	38.9
121.06543	4.1
121.10141	24.6
123.08070	6.2
123.11715	4.8
125.09633	20.7
127.03912	9.1
128.06250	3.5
129.05501	3.7
129.06967	19.4
130.07820	4.1
131.08571	36.5
133.10121	27.1
135.08070	8.1
135.11673	13.7
137.09637	6.7
141.06978	8.6
142.07808	5.5
143.08556	23.0
143.61644	2.8
145.10110	27.8
147.08041	7.0
147.11707	20.1
149.09624	6.3
149.13249	9.3
155.08568	9.6
155.10609	3.2
156.09294	4.1
157.10132	24.7
159.08034	4.1
159.11697	24.5
161.09593	3.4
161.13292	9.6
163.11241	3.7
167.08574	6.1
168.09314	3.4
169.10127	11.0
171.08055	3.3
171.11678	20.6
173.09641	4.2
173.11714	14.2
173.13278	13.9
175.11156	3.7
175.14830	6.4
179.08482	5.0
181.10080	5.8
183.11665	15.1
185.09563	3.6
185.13222	14.3
187.11247	4.9
187.14876	5.8
189.11269	17.7
189.12735	5.5
193.10162	3.7
195.11703	6.4
197.13278	6.4
199.11241	5.5
199.14778	6.2
201.12836	3.0
207.11732	4.7
209.13356	6.3
210.10327	3.6
211.14827	6.1
213.16379	2.8
215.14317	3.7
215.60443	2.9
221.13435	3.8
223.14868	4.3
227.12799	11.7
229.14218	17.0
241.19502	4.2
243.20966	2.8
245.13806	8.3
257.18958	4.1
259.20648	15.2
261.22183	5.3
271.20569	5.5
283.20596	3.3
301.21558	4.6
333.24115	6.8
335.25769	5.0
339.23282	5.0
349.21622	4.7
367.22675	8.2
369.24271	6.0
373.18784	4.8
375.25446	4.3
377.28479	3.1
385.23734	5.6
395.29431	6.1
403.24658	4.1
469.33041	3.0
485.32620	4.2
487.34183	90.3
488.34387	5.6
515.33978	4.1
529.34912	3.4
577.36072	3.8
583.35895	3.3
595.36029	9.9
613.37427	13.8
617.23859	18.2
631.38623	18.1
649.15265	5.3
649.26038	88.1
649.38782	36.2
650.26367	15.4
650.37970	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	649.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37550	8.1
55.05498	20.0
67.05489	34.3
69.07063	29.9
69.26546	25.3
69.26966	80.2
69.56012	8.7
71.80987	8.7
73.02903	8.7
79.05497	30.6
81.07065	91.2
82.04267	9.4
82.90070	8.1
83.08596	10.7
85.02887	15.9
91.05464	31.0
93.07049	50.0
95.01299	23.7
95.04930	13.5
95.08605	96.3
97.02893	21.1
97.08280	8.9
105.07036	73.1
107.08583	100.0
109.10153	81.8
111.08078	27.2
117.06989	12.1
119.08563	81.6
121.10129	56.1
123.11733	16.4
131.08568	23.2
133.10123	66.4
135.11696	18.8
141.01822	92.1
143.08524	15.5
145.10124	44.2
147.11662	49.8
149.13268	70.1
151.07564	13.6
159.02951	11.7
159.11687	23.9
161.13251	42.8
163.14818	32.2
167.10614	11.7
173.13277	21.2
175.14902	43.0
177.16425	27.6
187.14763	30.8
189.16391	77.1
191.17978	9.9
199.14787	12.6
201.16330	64.6
203.17952	95.2
205.15869	20.8
207.14017	9.5
213.16167	17.1
215.17995	28.1
217.15862	11.3
219.17386	10.5
221.15331	11.2
247.16869	11.4
249.18607	9.7
327.23035	14.0
333.13599	13.2
387.21628	9.0
391.33682	25.5
407.33624	9.6
409.34607	52.4
425.33603	9.1
435.32837	18.8
437.34311	90.4
438.34390	12.4
455.35406	18.9
567.36865	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	649.3939
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
53.03942	4.5
55.05508	15.2
57.03436	4.3
57.07066	3.6
60.68835	2.1
62.91164	2.1
67.05501	32.7
69.03430	5.4
69.07065	25.7
70.06573	2.0
70.61421	3.1
70.61746	4.9
70.88917	2.3
71.08634	3.2
71.44152	2.3
73.02907	3.8
79.05485	24.9
81.03409	4.3
81.07057	60.8
83.08621	13.3
85.02898	9.2
91.05477	20.6
93.07034	46.6
95.01323	35.0
95.04952	8.1
95.08605	95.1
97.02894	6.5
97.10180	4.0
103.03928	3.7
103.05486	3.1
105.07033	53.9
107.08589	64.4
109.06516	4.7
109.10153	71.1
111.08082	30.3
111.11735	3.1
113.02377	4.2
117.07020	8.0
119.08577	80.8
120.08111	10.4
121.10136	50.4
122.09676	4.3
123.08071	3.2
123.11670	16.7
125.02358	4.2
129.06989	4.9
131.08559	13.9
133.10130	59.1
135.08049	4.1
135.11679	29.1
136.06221	3.0
137.13245	5.5
139.11157	6.6
141.01820	89.9
143.08563	8.1
145.10115	37.8
147.11685	52.4
148.07559	20.8
149.09734	2.2
149.13249	60.7
149.38797	2.7
150.09193	2.3
151.07468	4.0
151.11073	2.9
153.09122	6.0
157.10120	5.8
158.10834	2.6
159.02882	13.4
159.08035	3.0
159.09264	3.0
159.11673	34.6
161.09647	2.8
161.13248	43.0
163.11163	3.5
163.14813	34.6
165.09114	2.9
169.10127	2.4
171.11719	8.9
173.03282	2.1
173.13272	24.1
175.14812	39.8
177.16367	35.5
177.17809	2.7
178.12241	3.0
183.11679	4.9
185.13269	4.7
187.08763	4.1
187.14806	31.6
189.03938	2.4
189.16370	77.1
190.16740	2.8
191.17969	19.1
193.15974	2.9
197.13344	5.0
199.14827	7.2
201.16371	75.1
203.17938	85.9
205.10120	2.4
205.15909	12.5
205.19516	9.4
207.17419	14.4
211.14989	3.1
213.16373	14.5
215.17934	38.4
217.19513	9.5
219.17441	7.6
221.15395	4.2
221.18974	7.4
225.16312	3.6
227.17957	6.2
229.19467	10.3
231.17413	6.0
233.15337	3.7
235.16972	9.0
239.17920	5.4
241.19458	8.3
243.21080	7.3
245.22818	2.7
247.10680	2.7
247.16847	13.8
249.18533	8.7
253.19589	5.3
255.21072	5.7
261.18497	9.3
267.21170	5.3
269.16522	4.1
269.22824	2.9
275.20059	2.9
281.22696	4.0
283.24249	6.0
285.72961	2.3
293.11285	8.3
295.24176	2.9
299.20062	3.5
309.25668	2.5
309.87439	2.7
311.17447	9.8
313.18881	5.3
327.23233	6.3
329.24789	6.3
335.12390	4.5
337.10202	8.6
341.24933	2.9
343.26645	3.9
349.28860	3.1
351.30508	5.3
389.32022	3.4
391.33636	28.3
397.30978	8.4
407.33029	3.8
409.34622	55.7
411.36130	3.7
419.33069	3.6
425.34116	6.3
427.35501	6.7
435.32681	6.3
437.34149	100.0
438.34610	4.0
455.35205	30.5
567.36719	9.6
595.36096	4.0
649.33533	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	649.3936
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
56.07814	11.7
63.10852	11.4
67.05492	34.6
69.03435	14.1
69.07054	20.4
70.12144	28.1
70.12527	38.0
73.02917	13.5
79.05490	30.7
81.07049	56.1
91.05490	17.7
93.07046	46.7
95.01337	24.5
95.04936	13.2
95.08599	98.1
97.02891	19.7
99.14574	12.7
103.74385	12.9
105.07038	40.0
107.08562	63.6
109.10155	56.8
111.08087	35.4
119.08562	100.0
121.10143	53.1
131.03435	13.9
133.10144	72.3
135.11682	27.3
141.01788	66.5
145.10120	35.0
147.11679	49.4
149.13258	51.7
159.02840	14.1
159.11765	28.2
161.13223	49.2
163.14751	21.5
173.13263	27.7
175.14769	45.0
177.16383	31.8
187.14836	40.8
189.16362	75.5
201.16362	89.0
203.18008	73.8
207.17468	13.2
210.26027	12.9
213.16432	16.7
215.17995	31.3
229.19424	17.4
247.16940	18.9
382.20633	12.7
391.33820	31.7
407.32886	15.0
409.34720	57.1
435.32565	20.7
437.34143	82.2
455.35300	20.0
461.56137	13.2
470.55862	13.8
677.81104	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	649.3938
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.05509	26.6
60.05030	9.8
67.05492	51.1
69.03423	13.5
69.07066	24.2
69.51718	9.8
70.06592	33.6
71.04993	28.8
71.57213	11.7
79.05494	38.7
81.03410	25.9
81.07053	72.1
83.05002	16.6
83.08621	24.4
85.02901	65.1
86.09691	15.5
91.05479	48.9
93.07037	72.3
95.01305	14.5
95.04979	21.5
95.08602	100.0
97.02888	29.0
97.10154	12.4
105.07037	76.0
107.08575	74.9
109.06528	11.6
109.10157	85.9
111.08064	21.0
113.02451	9.9
115.05462	13.1
117.07077	9.7
119.08578	87.0
121.06528	18.5
121.10136	60.7
123.11678	19.0
127.03849	13.2
129.05489	12.2
131.08578	37.6
133.10124	78.8
135.08040	10.9
135.11726	37.0
136.06169	13.8
137.06012	28.5
141.01834	43.6
143.08600	14.7
145.10123	47.7
147.04405	38.9
147.06589	10.6
147.11707	55.7
148.07588	11.4
149.13245	54.9
151.03951	13.8
151.11302	11.4
157.06697	9.8
157.10133	17.5
159.11716	35.9
161.13277	42.4
163.14841	26.2
171.11876	10.7
173.13379	16.6
175.14857	32.4
177.16399	34.8
187.14883	30.2
189.16379	89.4
191.17949	27.1
199.14812	11.4
201.16443	50.2
203.17941	67.4
207.17372	18.1
209.13083	14.3
213.16432	15.5
215.17972	20.0
217.15840	10.4
221.19041	13.4
233.15396	11.4
247.16942	15.0
351.85474	9.3
391.33630	22.1
409.34659	41.7
410.35437	11.1
437.34247	53.1
455.34955	35.8
649.27350	14.8
649.39368	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	649.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.6
57.03422	6.1
58.69820	7.8
62.65220	5.9
67.05500	34.0
69.03415	9.4
69.07055	26.4
69.83552	21.2
69.83976	19.7
70.06591	13.6
73.02927	7.6
74.41730	5.9
75.90450	5.6
79.05476	21.1
80.48409	6.1
81.03406	9.6
81.07046	56.6
83.08624	15.3
84.08147	100.0
85.02905	24.4
86.09698	10.5
87.00818	5.7
91.05467	26.9
93.07040	51.3
95.01337	10.3
95.04986	9.5
95.08608	83.3
97.02878	26.7
98.21431	10.0
105.07039	65.1
107.08598	60.4
109.02890	9.7
109.10140	57.0
111.08052	11.0
117.07001	9.3
119.08578	75.1
120.08075	14.8
120.08877	8.7
121.10110	46.5
123.11700	9.9
129.06981	7.1
130.08589	9.7
131.08549	27.1
133.10170	51.2
135.11690	25.9
136.06149	11.4
137.06003	10.1
139.95598	6.4
141.01804	27.6
143.08539	8.6
145.10088	34.2
147.11681	32.3
149.13249	54.5
155.08546	9.5
157.10097	9.6
159.02913	8.3
159.11714	20.6
160.01791	6.1
161.13240	28.5
163.14821	26.8
169.10132	7.3
173.13246	21.7
175.14824	27.8
177.05511	12.4
177.16365	31.4
183.11598	6.2
185.13344	10.2
187.14827	33.1
189.16402	68.2
191.17934	13.9
199.14729	9.2
201.16348	49.3
203.17958	67.0
205.15872	20.0
207.17383	20.6
213.16406	14.3
215.17955	15.9
229.19623	8.0
231.17377	7.3
249.18524	8.9
257.50467	7.5
383.32681	17.5
391.33856	13.8
397.31323	8.1
401.33615	34.6
409.34802	35.2
437.34137	47.2
438.34613	9.1
455.35193	14.3
567.37006	8.4
571.11493	7.7
649.37451	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	649.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37550	8.1
55.05498	20.0
67.05489	34.3
69.07063	29.9
69.26546	25.3
69.26966	80.2
69.56012	8.7
71.80987	8.7
73.02903	8.7
79.05497	30.6
81.07065	91.2
82.04267	9.4
82.90070	8.1
83.08596	10.7
85.02887	15.9
91.05464	31.0
93.07049	50.0
95.01299	23.7
95.04930	13.5
95.08605	96.3
97.02893	21.1
97.08280	8.9
105.07036	73.1
107.08583	100.0
109.10153	81.8
111.08078	27.2
117.06989	12.1
119.08563	81.6
121.10129	56.1
123.11733	16.4
131.08568	23.2
133.10123	66.4
135.11696	18.8
141.01822	92.1
143.08524	15.5
145.10124	44.2
147.11662	49.8
149.13268	70.1
151.07564	13.6
159.02951	11.7
159.11687	23.9
161.13251	42.8
163.14818	32.2
167.10614	11.7
173.13277	21.2
175.14902	43.0
177.16425	27.6
187.14763	30.8
189.16391	77.1
191.17978	9.9
199.14787	12.6
201.16330	64.6
203.17952	95.2
205.15869	20.8
207.14017	9.5
213.16167	17.1
215.17995	28.1
217.15862	11.3
219.17386	10.5
221.15331	11.2
247.16869	11.4
249.18607	9.7
327.23035	14.0
333.13599	13.2
387.21628	9.0
391.33682	25.5
407.33624	9.6
409.34607	52.4
425.33603	9.1
435.32837	18.8
437.34311	90.4
438.34390	12.4
455.35406	18.9
567.36865	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	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.7
53.95957	7.2
55.01877	9.0
55.05508	44.3
57.03433	8.4
57.07057	7.0
57.91509	5.8
59.04971	7.4
62.85353	5.7
64.71754	6.1
65.03927	10.7
67.05499	100.0
68.05821	6.6
69.03427	29.9
69.07052	22.9
69.29415	5.4
71.04971	8.6
71.58224	10.3
73.02906	10.4
75.55666	7.5
79.05488	57.1
81.03411	53.2
81.07056	64.2
83.04951	21.0
83.08611	29.5
85.02901	21.0
85.06471	6.8
87.36898	6.3
91.05466	56.0
93.07031	58.9
95.04951	20.9
95.08607	50.1
97.02877	28.9
97.10151	22.9
105.07037	61.1
107.08594	42.6
109.06527	9.8
109.10139	65.9
111.04427	7.5
117.07002	18.4
119.08573	62.9
121.10117	38.0
123.08102	11.8
123.11628	7.5
125.09628	19.7
127.03909	8.2
129.06975	9.1
131.08578	45.0
133.10135	49.8
135.08049	9.4
135.11682	15.8
137.09618	12.8
141.07001	9.3
143.08568	20.1
145.10156	41.0
147.11702	33.2
149.13223	11.0
151.07532	9.0
155.08585	12.8
157.06419	6.6
157.10124	17.8
159.11674	28.6
161.13254	15.0
169.10062	14.1
171.11681	17.1
173.11794	12.3
173.13284	16.7
175.14864	11.3
177.16443	11.3
183.11710	13.1
185.13272	18.1
187.14879	11.3
189.11203	15.4
189.16377	21.2
197.13408	9.2
199.14772	9.9
201.16405	18.0
203.17874	7.0
205.15880	7.2
207.13989	8.1
211.14851	9.0
213.16682	6.9
227.12817	11.1
229.14294	16.4
245.13725	8.6
259.20615	8.1
335.25806	7.5
347.19434	6.8
371.17276	7.4
373.18491	9.3
395.29156	9.9
487.34296	53.5
551.25299	12.1
571.79529	7.0
595.36334	11.6
603.39069	36.9
613.37573	17.0
631.38239	18.4
649.32404	12.5
649.40173	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	647.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45180	0.4
53.03940	1.1
55.05502	2.6
57.03433	1.2
57.07053	1.0
57.69049	0.4
58.45502	0.4
67.05495	4.5
69.03425	0.7
69.07061	4.9
69.48206	3.6
71.01337	1.7
73.02898	2.9
79.05482	3.7
81.07052	8.8
83.04991	1.1
83.08614	1.8
85.02892	7.0
85.06516	0.4
91.05460	4.0
91.61486	0.4
93.07030	6.7
95.01325	2.6
95.04957	1.3
95.08598	14.3
97.02910	0.8
97.06548	0.6
97.10163	1.0
98.21475	0.8
99.00802	0.6
101.02368	0.8
103.03957	0.7
104.54161	0.4
105.07023	9.8
107.04951	0.6
107.08582	12.7
109.06500	1.5
109.10144	5.6
113.02367	2.1
117.06996	1.0
119.08572	12.3
121.06501	1.8
121.10126	9.2
123.08032	2.0
123.11714	3.3
128.06190	0.5
129.06998	1.4
131.03391	1.7
131.08554	2.8
132.29381	0.4
133.10117	6.6
135.08072	2.0
135.11670	5.9
137.09593	0.8
137.13246	1.4
139.11096	0.5
141.01791	3.3
141.06944	0.6
143.08539	2.0
145.10095	4.8
147.08046	1.1
147.11662	4.6
149.09593	1.3
149.13246	5.0
151.11185	0.6
153.51979	0.4
155.08563	1.3
157.10083	3.1
159.11684	3.1
161.09633	1.5
161.13232	3.8
163.11116	0.6
163.14796	2.9
167.10747	0.5
169.10094	1.6
171.11697	2.9
173.13258	4.5
175.11195	1.8
175.14828	8.6
177.16415	2.8
179.14229	0.5
181.10011	0.7
182.10905	0.5
183.11766	1.2
185.13272	1.8
187.11107	0.5
187.14775	3.8
189.12767	0.9
189.16367	11.0
191.14297	0.8
191.17931	2.6
195.11638	0.7
197.13264	2.4
199.14789	4.3
201.16360	3.1
203.14423	0.5
205.15915	0.4
209.13210	1.2
211.14792	0.9
213.12810	0.4
213.16368	2.1
215.14276	2.5
215.17969	1.9
217.15874	6.6
217.19183	0.4
219.17430	1.1
223.14862	0.6
225.16345	1.0
227.17947	1.8
229.15854	0.8
229.19505	1.1
231.17438	0.6
233.18996	0.6
235.16888	1.9
239.17934	0.9
241.19537	1.8
243.17480	1.3
243.88354	0.4
251.17992	0.8
253.19473	1.5
257.18909	1.0
261.14786	0.7
265.19485	0.5
267.21103	1.6
271.20554	2.3
275.20139	0.6
279.21091	1.0
281.22519	0.4
285.22281	0.9
289.18011	0.9
293.22635	1.1
295.24142	0.5
297.22223	0.8
310.84192	0.4
311.20468	0.5
311.23712	1.8
317.21295	0.5
319.24557	0.4
323.23654	0.6
325.21677	0.7
333.25699	0.6
337.25262	0.7
337.29172	0.6
339.23212	1.6
343.22791	0.6
349.28958	0.8
351.23264	1.4
357.24188	1.4
369.24506	0.7
379.33691	0.5
383.25925	1.1
389.32037	3.4
407.33032	12.2
425.33841	0.5
435.32507	7.0
453.33594	100.0
454.33954	2.7
465.67847	0.4
471.34702	2.9
601.37671	0.4
647.37897	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	647.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
53.84109	0.2
54.83360	0.2
55.05293	0.2
55.05507	2.3
57.03423	0.7
57.07069	0.4
65.03935	0.3
67.05492	2.8
69.03414	0.5
69.07068	3.9
71.01344	1.3
71.03268	0.8
73.02903	2.7
75.04428	0.3
79.05486	2.3
81.07047	7.0
81.07518	0.4
83.04974	1.0
83.08608	2.1
85.02891	5.3
91.05466	2.7
93.07038	6.0
95.01311	0.3
95.04947	1.3
95.08598	14.3
97.02884	0.3
97.06526	0.3
97.10149	1.0
97.10733	0.3
101.02383	0.6
103.03954	0.8
105.07018	9.3
107.07862	0.6
107.08582	10.6
109.06538	1.4
109.10142	6.0
111.08069	0.6
111.11709	0.6
113.02370	2.6
116.79082	0.3
117.07005	0.9
119.04903	0.3
119.08570	10.0
121.06499	1.0
121.10133	8.3
123.08033	1.8
123.11693	4.7
125.09663	0.4
129.06990	0.8
131.03409	1.4
131.08560	2.5
133.06427	0.5
133.10118	5.7
135.08047	0.9
135.11676	5.2
137.09641	0.4
137.13261	1.1
139.11131	0.5
141.01825	0.7
141.06984	0.6
142.07765	0.6
143.08531	2.1
145.10120	4.4
147.08018	0.7
147.11671	3.7
149.09605	0.8
149.13240	5.4
150.22954	0.3
151.07518	0.3
151.11115	0.6
151.14771	0.6
153.09042	0.4
155.08556	0.8
156.09348	0.4
157.10100	2.6
158.10855	0.4
159.08023	0.5
159.11668	2.5
161.09628	1.9
161.13266	3.3
163.11148	0.5
163.14789	2.6
169.10121	1.1
171.11696	3.0
173.09610	0.8
173.13243	3.4
175.11235	0.7
175.14804	6.6
177.16364	2.1
181.10068	0.5
183.11650	1.8
185.13281	1.7
187.11212	0.5
187.14833	3.5
189.12732	0.8
189.16371	9.1
191.17905	2.0
193.08485	0.3
193.10204	0.3
195.11679	0.6
197.13248	1.8
199.14825	3.5
201.12688	0.6
201.16380	2.4
203.14053	0.3
203.17920	0.4
207.13799	0.3
207.17415	0.4
209.13245	0.6
211.14764	1.3
213.12807	0.2
213.16388	1.5
215.14343	1.7
215.17874	1.6
217.15852	7.1
219.17340	1.5
221.15421	0.3
223.14896	0.8
225.16425	1.0
227.14349	0.4
227.17921	2.2
229.15929	0.4
229.19543	0.9
231.17520	0.7
233.19037	0.7
235.16925	1.3
237.16371	0.8
239.18016	1.4
241.15819	0.4
241.19383	1.5
243.17455	1.0
243.21161	0.4
245.15335	0.5
245.18912	0.4
251.17986	0.7
253.19550	1.5
253.38242	0.3
255.17270	0.4
255.21117	0.5
257.18988	1.1
261.14792	0.4
265.19525	0.8
267.21082	1.1
269.19073	0.5
271.20724	1.4
279.21106	1.1
280.08005	0.3
281.22586	0.7
283.20557	0.4
283.24112	0.3
285.18408	0.3
285.21945	0.3
289.17953	1.1
293.22540	1.4
295.23965	0.3
295.57672	0.3
297.22040	0.8
303.19583	0.6
305.22638	0.7
309.22107	0.4
311.23804	1.3
317.21091	0.6
319.24030	0.3
323.23578	0.4
325.21634	0.4
333.25931	0.5
337.25153	0.5
339.23102	1.9
343.22940	0.5
347.27420	0.3
349.28763	0.4
351.23117	1.1
357.24231	1.5
363.30707	0.5
369.24265	0.7
383.25781	0.6
389.32004	3.2
407.27701	0.6
407.33090	11.6
408.33170	0.5
425.34219	0.6
435.32602	6.9
453.33600	100.0
454.33807	3.4
471.34534	2.7
647.37720	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	647.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.7
56.18770	5.2
56.69800	5.6
57.03423	10.1
60.41181	6.1
63.52414	5.7
67.05511	30.0
69.03417	7.8
69.07056	22.9
79.05474	22.5
81.03411	13.4
81.07051	50.0
83.08629	8.6
85.02896	15.9
91.05478	31.5
93.07041	45.3
93.25285	6.6
95.04955	12.0
95.08595	64.3
105.07041	56.9
107.08585	61.2
109.10142	41.3
111.08071	15.6
116.71975	6.7
116.72874	6.0
117.07005	15.2
119.08588	99.8
121.10141	45.2
123.11695	10.6
131.08585	35.4
133.10126	53.5
135.11693	28.9
141.01802	19.9
143.08580	14.4
143.19092	7.1
145.10120	74.9
147.11684	66.5
149.13246	25.9
157.10146	24.5
159.11681	67.4
161.13245	65.3
163.14813	25.2
169.10130	8.4
171.11681	10.3
173.13280	43.4
175.14838	37.8
175.16072	7.1
177.16397	19.0
183.11623	8.0
185.13184	12.3
187.14815	59.4
189.16365	76.8
191.17908	10.0
197.13208	10.7
199.14807	29.1
201.16367	100.0
203.17957	32.4
205.15874	25.2
213.16408	22.3
215.17958	17.5
217.15924	22.0
219.17432	29.1
227.17943	10.7
229.19429	11.4
231.17331	7.0
241.19537	12.8
247.16873	29.2
247.19099	7.8
249.18532	9.8
255.21368	7.1
261.18439	7.5
273.18555	10.4
301.21573	7.8
349.29068	8.8
389.31927	20.4
395.29529	39.1
407.33035	53.5
423.32730	20.5
425.34027	10.1
426.28677	6.6
435.32755	59.7
453.33780	47.6
611.35565	8.0
647.38440	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75902	1.9
53.87223	1.8
55.05507	6.0
57.07054	2.8
57.95406	1.5
67.05506	8.0
69.03408	3.4
69.07059	7.6
69.24927	3.9
69.25325	15.7
73.02923	3.5
79.05489	9.0
79.56816	1.7
81.03406	1.9
81.07054	16.8
83.04969	3.9
83.08615	2.7
85.02895	7.9
86.95062	1.7
89.62056	1.9
90.43792	1.8
90.44392	1.8
91.05479	7.5
93.07042	10.4
95.05019	3.3
95.08606	23.1
97.02883	1.9
97.06502	2.5
102.66699	1.6
105.07025	17.0
107.08592	19.0
109.10135	10.9
113.02346	2.4
114.04919	1.6
117.07017	4.1
119.08591	21.8
121.06537	2.7
121.10156	9.8
123.04465	2.0
123.08043	3.8
123.11656	5.8
129.07001	2.6
131.03365	2.5
131.08543	5.9
133.10141	13.3
135.08090	4.4
135.11690	9.2
137.09584	2.1
141.01796	4.8
143.08585	6.1
145.10114	11.2
147.11682	9.5
149.09703	2.7
149.13242	7.1
151.07471	2.3
155.08556	2.6
157.10094	6.9
159.11681	6.7
161.09663	2.4
161.13275	6.9
163.14854	4.6
169.10155	2.5
171.11668	3.4
173.13246	5.9
175.11174	2.6
175.14781	10.7
177.16417	3.3
183.11720	2.1
184.07253	3.5
185.13263	3.9
187.14812	8.9
189.09201	2.3
189.16348	14.7
195.11688	3.7
197.13226	2.7
199.14828	6.5
201.16368	7.3
203.17918	2.5
205.15863	2.3
211.14816	2.7
213.16287	3.6
215.14417	2.6
217.15802	9.3
219.17464	3.9
225.16266	2.1
227.17978	2.9
235.16864	3.9
249.91188	2.0
253.19547	2.6
267.20999	2.4
293.22604	1.8
357.24255	2.0
389.32098	3.6
407.33121	12.5
425.33774	2.8
435.32758	11.0
453.33655	100.0
454.34039	2.9
647.38483	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	647.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54353	0.6
52.65170	0.6
55.05498	1.6
59.00914	0.5
59.55902	0.6
64.08411	0.5
67.05506	5.8
69.03403	1.4
69.07053	1.7
70.63865	1.4
71.04981	0.7
79.05480	2.6
81.03403	2.5
81.07043	3.2
83.08685	0.6
85.02903	0.9
87.01363	0.5
91.05484	3.6
93.07033	2.8
95.04958	1.5
95.08584	1.9
95.71582	0.5
97.02895	0.7
97.06544	1.2
105.07050	3.2
107.04957	1.6
107.08593	1.8
109.02894	0.9
109.06564	0.9
109.10178	2.8
117.07007	1.2
117.26762	0.5
119.08575	3.0
121.10134	1.5
123.08037	0.7
125.09649	0.7
131.08546	1.5
133.10110	1.9
133.26384	0.6
135.11707	0.8
145.10153	1.4
147.11678	1.0
157.10091	0.6
159.11688	0.9
167.10802	0.7
169.10098	0.9
171.11571	0.6
173.11797	0.7
173.13222	0.6
179.08328	0.5
179.14351	1.2
192.87195	0.5
197.13326	0.6
203.05161	0.7
244.16762	0.6
253.10396	0.6
275.20093	3.5
299.14856	0.8
301.49631	0.6
303.07855	0.6
371.89828	0.6
457.42477	0.8
485.28592	1.8
647.33905	100.0
648.33990	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	646.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23928	0.5
58.01192	0.5
68.46209	0.5
68.87103	0.4
71.40784	0.5
72.47083	0.4
111.02255	0.4
134.63564	0.5
174.65591	0.5
225.13947	0.5
226.39139	0.6
231.01572	0.6
285.12558	0.5
401.17740	1.4
402.18130	0.6
403.19339	1.8
404.20737	0.6
405.21283	0.7
415.19299	1.7
416.19983	1.2
417.20892	2.4
418.21628	1.8
429.16165	2.6
430.17865	1.5
431.17947	5.0
432.23441	0.6
433.23892	6.3
443.18527	1.0
444.19159	5.6
445.19739	6.9
446.20804	1.5
458.20877	1.1
459.21707	46.3
460.22357	9.8
461.23349	7.2
470.19824	1.5
471.20621	0.9
472.22409	0.6
473.23325	3.1
474.23996	1.1
476.22156	1.1
487.25867	1.0
501.23361	0.7
505.25854	1.7
519.23688	7.3
531.24084	2.7
533.25244	0.8
546.25879	2.2
547.27045	24.4
548.27338	1.2
558.24878	0.7
563.26508	1.3
574.25836	2.4
591.26117	3.7
606.28296	100.0
607.28674	3.3
617.25787	0.9
646.31256	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	645.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.6
58.55449	3.6
67.05501	29.1
69.03418	4.4
69.07054	17.1
71.57841	4.9
79.05480	18.0
81.07051	45.1
83.08617	8.7
85.02903	12.1
91.05476	19.0
93.07030	35.8
95.01310	14.6
95.04963	14.8
95.08601	88.0
97.10182	8.1
105.07025	62.8
107.08594	65.1
109.06555	3.3
109.10153	31.3
117.07033	10.6
119.08575	94.8
121.10136	45.6
123.08066	5.9
123.11648	8.7
129.06982	4.8
131.08549	32.7
131.48221	3.5
133.10121	71.8
135.08029	5.5
135.11684	18.9
137.13333	3.3
138.05972	3.4
141.01802	31.1
143.08565	12.7
144.09302	5.1
145.10112	63.5
145.11160	6.4
147.08018	5.8
147.11679	60.0
149.09627	6.8
149.13274	28.8
151.11246	4.3
157.10112	11.4
159.11687	42.8
161.09616	11.4
161.13208	36.9
162.96576	3.2
163.14798	29.7
167.06990	5.0
169.10237	4.6
171.11674	9.3
173.13232	39.2
175.14804	67.0
175.16260	4.2
177.16380	32.3
185.13300	11.8
187.14807	100.0
189.12717	5.3
189.16367	94.6
191.14272	19.8
191.17947	11.6
199.14841	11.3
201.12726	4.7
201.16367	54.7
203.14412	9.5
203.17940	81.4
213.16406	13.3
215.14281	5.9
215.17868	8.1
217.15912	9.8
219.13821	4.5
221.15366	12.3
224.40840	3.6
225.16420	4.0
227.17909	8.3
229.19522	4.4
231.17448	5.2
233.15382	5.6
235.16893	10.4
241.19493	5.1
247.16896	10.7
249.18546	12.9
267.20819	3.9
285.38025	4.1
313.59601	4.0
341.24719	3.6
352.64981	3.1
377.31973	15.3
379.17914	4.3
395.17065	4.5
395.33160	37.3
405.31287	22.2
423.32526	80.7
424.32758	5.0
428.38358	4.0
441.33426	22.6
451.32492	9.8
581.34589	41.2
599.35754	14.9
645.36377	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08213	2.0
53.03939	8.3
55.01867	6.3
55.05510	28.8
57.03439	9.6
57.07067	3.3
60.28891	1.8
65.03934	4.6
67.05505	80.9
68.05828	1.8
69.03414	3.1
69.06726	2.6
69.07067	25.3
70.19460	9.3
71.04977	6.3
77.03916	1.9
79.05491	65.1
81.03410	5.0
81.07057	100.0
82.07373	2.8
83.04980	9.1
83.08613	17.1
85.02901	2.2
85.06548	4.3
91.05479	67.7
93.07043	63.3
94.07311	1.8
95.04979	14.7
95.08606	52.0
96.78846	1.9
97.06525	9.8
97.10176	6.9
99.08073	3.7
105.07031	75.4
107.04949	5.3
107.08588	42.7
108.08944	2.4
109.06547	12.1
109.10160	30.4
111.04465	2.5
111.08053	6.7
115.05479	3.2
117.07026	26.4
119.08580	58.2
120.08873	2.1
121.06508	4.2
121.10149	34.1
123.08082	8.3
123.11695	10.5
125.09653	7.2
127.07534	3.2
128.06187	2.4
129.05528	2.7
129.06979	14.1
131.08554	30.1
133.06494	2.5
133.10130	48.5
135.08043	7.7
135.11658	18.0
137.09604	7.3
137.13240	2.6
139.11151	3.9
141.06998	2.5
142.07758	3.0
143.08580	12.4
145.10129	30.7
147.07999	3.0
147.11696	51.5
149.09612	8.0
149.13200	11.6
151.11223	4.2
153.09120	1.7
155.08539	3.7
156.09357	2.4
157.10143	14.7
159.11681	21.8
161.09659	2.4
161.13251	26.8
163.11214	8.1
163.14790	4.2
165.12758	6.4
169.10103	6.7
171.11697	16.7
173.11833	3.4
173.13245	14.0
175.11189	5.5
175.14832	14.0
177.12715	4.1
181.10129	2.6
183.11691	4.5
185.13304	9.9
185.14679	2.0
187.11133	2.0
187.14810	10.5
189.11226	3.3
189.12730	2.5
191.14424	2.3
195.11734	2.7
195.13675	2.1
195.27939	1.8
197.13226	8.3
199.14827	6.7
203.14328	2.1
205.15840	3.2
207.61923	1.9
209.13138	2.2
211.14824	3.5
213.16364	4.5
215.17957	3.7
217.19577	2.3
225.16368	2.1
227.12743	2.8
229.14354	2.1
229.19547	4.3
231.17522	3.8
231.21127	6.7
239.17944	4.3
241.19533	32.3
243.21146	2.4
247.20506	2.3
257.19031	10.8
259.20587	41.4
261.22000	2.6
273.18518	3.3
275.20068	44.0
276.20410	3.1
277.21552	3.9
291.19659	2.3
293.21082	6.5
304.37607	2.1
315.23041	5.6
333.24252	47.9
335.25949	4.5
343.83041	2.0
349.23761	6.3
351.24722	2.5
365.23135	4.0
367.24811	22.6
403.91830	2.1
515.37408	4.0
533.40332	2.3
551.40533	7.3
607.43237	10.5
625.44495	21.0
643.45740	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	643.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38877	4.0
53.03936	8.6
55.01862	10.7
55.05513	40.8
57.03422	12.4
57.07062	6.2
65.03907	7.0
66.42548	4.2
67.05499	96.0
67.17716	4.3
69.07062	35.6
71.04983	10.6
71.57286	8.0
79.05059	7.9
79.05487	79.4
81.03402	9.3
81.07056	100.0
83.04962	12.0
83.08614	18.5
85.06546	7.8
87.34722	4.1
91.05474	72.0
93.07040	86.1
95.04972	23.8
95.08605	79.9
97.06532	15.7
97.10171	19.4
99.08113	12.0
105.07027	59.5
107.04951	8.7
107.08591	49.5
109.06503	8.9
109.10163	26.9
115.05454	9.3
117.07017	27.6
119.08575	51.9
121.06491	8.7
121.10159	41.2
123.08075	12.7
123.11690	7.8
125.09616	13.4
129.07005	16.7
131.08571	35.5
133.06526	6.7
133.10136	42.0
135.08046	8.8
135.11685	19.8
137.09659	6.9
143.08528	19.4
145.10127	33.6
147.08058	17.5
147.11690	14.1
149.09576	13.1
149.13278	13.7
151.11163	5.0
152.48138	5.4
157.10117	13.0
159.11723	16.2
161.09668	7.7
161.13223	10.9
163.11145	5.6
167.08562	4.8
169.10135	8.3
171.11694	17.0
173.13324	10.4
175.11253	5.5
175.14841	6.2
179.14291	5.8
181.10211	5.1
185.13286	9.3
189.11159	12.4
189.12802	5.8
199.14880	5.3
209.13202	4.7
211.14859	6.1
217.15865	13.3
227.12762	15.6
245.19185	5.7
255.17380	6.7
259.20529	6.2
261.21957	9.0
273.18491	43.7
275.20126	11.7
277.21313	12.3
291.19476	42.5
293.21152	7.2
335.25732	31.9
347.22217	8.8
365.23117	16.3
425.16006	10.4
426.16849	7.2
439.13638	8.9
441.19370	22.4
442.19580	7.0
453.15588	5.6
467.17352	12.6
468.17377	9.0
469.18158	7.0
481.14984	9.1
482.15372	8.3
496.16187	5.7
497.18457	7.0
551.41699	5.9
555.22272	18.7
556.22784	6.3
583.21820	74.1
584.21960	24.6
593.26245	11.1
607.43365	6.4
611.27496	5.3
615.24280	7.7
625.29016	24.6
625.44617	37.6
643.24213	16.5
643.45538	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58329	2.1
53.03938	9.0
55.01869	10.5
55.05511	37.9
57.03429	15.0
57.07070	6.1
61.96601	2.0
65.03941	4.6
67.05502	86.5
69.03429	4.3
69.07063	34.3
69.38893	18.7
71.04989	6.0
71.08612	3.8
78.21088	1.9
79.05490	79.4
81.03400	6.5
81.07052	100.0
83.04980	11.6
83.08608	21.3
85.06548	6.6
91.05478	69.8
93.07040	74.8
95.04964	20.8
95.08598	62.5
97.06513	15.2
97.10152	9.9
98.21564	4.2
99.08094	6.9
103.05456	3.5
105.04531	3.4
105.07024	65.2
107.04968	12.9
107.08586	47.4
109.06507	14.2
109.10149	30.4
111.08086	6.9
113.09663	1.9
115.05453	3.7
117.07024	25.5
119.08573	58.1
120.08887	3.0
121.06528	5.7
121.10135	33.2
123.08068	10.6
123.11709	9.5
125.09628	8.2
128.06212	4.1
129.06996	10.6
131.08549	35.5
133.06505	3.4
133.10117	41.8
133.11078	2.8
135.08064	9.2
135.11681	20.2
137.09621	7.3
137.13162	2.5
141.06960	5.4
142.07803	4.6
143.08554	15.7
145.06490	2.2
145.10126	38.2
147.08054	8.1
147.11685	35.0
149.09602	11.4
149.13269	15.2
151.11194	7.6
154.07623	2.6
154.44713	2.1
155.08580	5.8
157.10165	13.5
159.08121	2.7
159.11688	27.2
161.09653	6.3
161.13248	22.7
163.11145	11.0
163.14830	4.1
165.06978	2.3
165.12762	4.1
169.10126	7.5
171.11658	16.3
173.09616	4.3
173.13261	17.9
175.11235	5.0
175.14816	11.0
177.12695	3.5
179.14310	2.5
181.10152	4.4
183.11668	7.6
185.11855	2.2
185.13213	12.4
187.11200	3.4
187.14885	6.3
189.11191	4.1
189.16299	3.3
191.14288	2.5
195.11623	2.6
197.13202	5.7
199.14879	8.8
201.16402	3.6
217.15889	7.9
219.63112	2.1
227.12712	3.0
229.19481	4.8
235.16995	2.4
239.17885	4.9
241.19539	16.9
255.17401	2.8
257.19037	7.5
259.20557	26.9
261.22217	3.2
263.19974	5.8
263.46176	2.1
264.15811	2.3
273.18442	18.9
275.20065	34.7
276.20316	3.2
277.21591	8.4
289.21719	4.1
291.19540	28.0
293.21121	7.5
333.24146	27.1
335.25903	13.2
347.22192	3.2
349.23489	7.2
351.25049	3.4
365.23172	6.6
367.24768	10.5
476.74347	2.4
515.37640	6.1
533.40155	3.7
543.36499	2.6
545.38477	4.4
551.41345	2.5
583.21680	8.3
607.43372	9.9
625.44647	29.7
643.24200	6.2
643.46027	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	643.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01867	1.0
55.05505	6.1
55.26732	0.9
57.03416	1.3
57.07074	1.1
58.99851	1.6
65.03936	1.8
67.05505	16.8
69.07069	6.8
69.24728	9.8
69.25150	2.0
71.04995	1.9
77.00912	7.2
79.05491	13.4
80.61037	1.0
81.07059	18.2
83.04977	1.9
83.08624	3.4
85.06552	1.4
91.05475	15.1
93.07047	14.5
95.01933	5.1
95.04958	3.6
95.08610	9.8
97.06532	1.3
97.10155	1.9
105.07029	13.4
107.04930	1.9
107.08575	8.8
109.06513	4.8
109.10151	6.1
117.07014	4.5
119.01936	1.0
119.08586	12.1
121.06493	1.2
121.10159	6.2
123.08016	1.4
123.11691	1.7
125.09650	0.9
126.41511	1.0
129.07007	2.6
131.01952	1.7
131.08574	5.7
133.10123	8.4
135.08035	1.2
135.11694	4.2
137.09550	1.0
143.08542	3.1
145.10120	6.1
147.11670	7.7
149.02826	1.2
149.09712	2.0
149.13295	2.5
157.10156	2.1
159.11720	4.7
161.09647	1.1
161.13264	4.4
163.11195	2.1
165.12717	1.1
169.10063	1.6
171.05026	1.1
171.11679	1.4
173.13290	2.7
175.14857	2.6
185.06625	12.7
185.13264	2.2
201.09688	1.0
203.07663	7.4
207.12416	0.9
215.11269	1.8
225.13326	4.4
227.11273	2.1
241.12823	3.6
241.19522	5.3
243.14417	40.6
248.14920	1.3
253.12665	1.1
257.12439	1.9
257.18961	1.9
259.20572	8.2
261.15469	13.8
263.11264	2.2
264.11887	1.6
266.15982	3.2
269.12570	1.1
271.13882	1.0
275.20087	8.3
281.12354	7.0
282.13068	2.8
293.21060	1.3
309.15466	1.4
315.18097	1.8
315.23117	1.1
327.33038	0.9
333.19034	16.4
333.23749	6.8
349.23785	1.4
351.20163	100.0
352.20319	3.3
367.24939	4.1
374.21811	14.0
375.21448	1.2
395.23587	1.0
404.38818	1.2
478.11224	1.1
528.54291	1.0
551.40338	1.1
607.43298	1.5
625.44067	3.0
643.30823	1.3
643.40112	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	643.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
64.00249	1.5
67.05499	3.3
71.07216	2.1
71.07558	3.0
73.98801	1.8
79.05484	2.4
81.07030	1.7
84.05563	1.6
93.07040	2.6
123.29184	1.8
126.26057	1.6
247.12573	1.5
261.13727	3.5
290.16461	1.9
297.71457	1.9
354.19699	1.9
363.16278	2.2
377.17670	4.4
379.19016	3.1
391.19028	5.8
392.19867	3.7
393.20706	2.6
395.18530	4.5
397.73627	1.7
405.20636	3.4
406.21719	5.0
407.22205	6.2
409.20166	7.2
421.24045	4.0
423.21701	6.3
440.22757	2.2
465.22647	14.0
479.24249	4.4
495.27563	3.3
496.24573	1.7
497.25330	2.7
508.26260	2.0
509.91797	1.8
511.27277	11.5
526.29187	2.2
537.24982	3.8
539.26013	3.2
551.25916	2.6
552.26624	3.0
555.26074	2.1
567.29657	27.4
568.30231	3.3
569.27405	3.2
583.29077	6.8
584.29425	4.4
599.32263	100.0
600.32349	4.3
643.30780	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	643.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59215	0.5
55.05503	1.7
64.13557	0.6
67.05497	3.7
69.07039	1.5
71.08637	0.7
71.18340	0.5
71.18670	1.4
72.43320	0.6
72.61662	0.6
79.05495	2.0
81.07050	3.3
91.05470	2.2
91.76193	0.7
93.07045	2.4
95.04978	0.6
95.08618	1.6
99.08112	0.7
105.07021	1.6
107.04991	0.9
107.08616	1.5
109.10164	1.5
117.07053	0.6
119.08589	1.3
121.10172	1.1
125.09667	0.6
131.08594	1.1
133.10132	0.9
135.11667	1.1
140.67906	0.6
145.10143	0.9
146.54095	0.5
147.11755	0.7
161.13310	0.5
179.14281	0.9
275.20129	1.3
277.21716	1.5
281.10095	0.6
446.44348	0.6
549.94843	0.6
575.41315	0.6
643.25214	100.0
644.25568	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	643.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17447	0.5
52.02424	0.5
56.96562	38.2
59.96235	0.5
69.56458	4.1
71.95272	2.8
72.96030	2.0
74.97610	1.4
81.07039	0.8
83.05005	0.6
84.96017	0.8
91.05465	0.6
92.98663	0.8
95.04901	0.6
98.20755	0.9
103.91341	0.6
110.97602	0.5
114.38857	0.5
119.96032	0.5
123.01135	0.7
137.02679	0.9
137.05942	0.6
139.00687	0.9
141.02203	1.5
146.99622	0.6
147.04395	0.6
148.71024	0.6
149.01233	1.1
155.03766	2.1
157.01729	1.2
159.03291	3.7
167.02223	0.8
167.07068	1.6
169.01669	0.6
171.03253	3.0
173.04768	0.6
175.02742	1.0
177.04370	1.5
178.05351	0.5
181.05006	1.6
183.03236	0.7
185.04836	1.8
187.02821	0.6
187.06412	1.1
189.00714	0.7
189.04309	2.6
193.03802	0.7
195.06873	0.7
197.04796	0.5
199.02684	1.1
199.06361	0.8
203.02255	1.0
203.05922	2.3
211.06384	1.3
211.10042	0.8
212.56207	0.6
213.07982	0.8
217.03818	0.8
217.07478	1.1
223.09967	5.2
229.07494	3.0
237.08031	1.2
239.09552	2.1
241.11095	55.9
249.08054	1.4
255.09102	1.3
257.10513	0.9
259.12164	100.0
260.12482	1.3
264.12622	4.1
267.09018	12.3
267.12000	0.8
269.10532	0.6
277.13223	0.8
282.13766	4.7
285.10062	31.4
303.07590	1.1
303.11130	20.6
308.11725	2.2
323.11511	0.7
326.12726	1.0
341.12689	87.8
342.13293	0.7
359.13745	87.0
360.13977	1.4
382.15338	14.3
383.15778	0.9
408.93289	0.6
417.15591	0.9
643.29846	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	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06362	0.4
55.05485	1.2
57.03394	0.6
67.05504	2.6
67.16587	0.4
69.07046	0.6
69.36652	3.7
79.05499	2.2
81.07056	2.3
83.08611	0.7
91.05489	2.1
92.78675	0.4
93.07036	1.9
95.04952	0.7
95.08588	1.2
97.10139	0.8
99.08054	0.6
105.06995	1.6
107.08543	1.3
109.06471	0.7
109.10161	0.7
117.06913	0.4
119.08527	1.1
121.10120	0.5
123.08067	0.5
123.11673	0.4
123.95403	0.4
129.06926	0.6
129.18381	0.3
129.63055	0.4
131.08487	1.0
133.10056	0.5
143.08537	0.6
145.10094	0.6
147.11649	0.5
148.57880	0.4
149.13155	0.5
159.11751	0.6
189.11119	0.5
274.51990	0.4
277.29742	0.4
291.19318	0.6
396.12051	1.3
397.13101	1.8
398.13940	0.8
399.14658	0.7
402.06519	0.4
409.12991	0.9
410.13654	3.0
411.14493	5.7
412.15210	4.5
413.16208	2.6
414.16684	0.5
423.15372	1.8
424.10828	1.1
424.16147	2.4
425.16214	12.6
426.16840	8.0
427.18005	2.2
428.18658	1.8
437.16568	0.9
438.13095	2.4
438.17493	1.4
439.13498	13.2
440.13541	1.0
440.19135	5.5
441.19275	37.5
442.19708	3.3
444.18506	0.4
451.13559	0.8
452.14221	3.6
453.15262	16.9
454.15701	4.2
457.14804	0.6
463.14325	1.0
465.15714	0.8
466.12091	0.6
467.17139	25.1
468.17880	15.6
469.18896	11.4
470.18900	1.5
471.16705	0.7
472.17563	0.8
480.17310	1.1
481.14706	11.6
482.15280	3.5
485.18256	1.6
486.18869	0.5
494.16345	0.4
495.16879	2.3
496.17163	10.8
497.17667	2.3
498.19305	0.5
499.19867	1.1
508.18900	1.1
509.18332	2.1
510.18906	0.6
512.20685	1.0
513.21155	0.6
514.22748	2.3
523.19543	1.2
527.23303	2.0
537.19531	0.6
540.20496	0.9
542.21814	0.5
545.23798	1.0
555.22400	33.1
556.22638	3.5
583.21863	100.0
584.22107	9.4
586.20514	0.8
587.25403	2.4
611.21240	1.4
614.23547	1.1
614.59900	0.4
615.14941	0.8
615.24487	11.4
616.24835	1.1
625.43970	0.7
643.23871	49.2
643.45367	1.1
644.24103	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	642.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01875	3.4
55.05511	9.1
57.03425	2.8
61.02917	2.0
65.03916	1.1
67.05508	25.5
69.03432	1.6
69.07068	8.5
69.37171	8.1
69.37577	1.5
71.04975	1.3
79.05496	16.9
81.03437	2.1
81.07053	20.2
82.07389	1.0
83.04990	1.7
83.08616	3.8
85.02892	2.7
85.06532	1.6
91.05476	22.6
92.05824	1.3
93.07045	18.2
94.07378	1.2
95.04974	4.8
95.08601	15.0
96.97842	1.0
97.02896	1.7
97.06528	3.8
97.10173	2.3
103.05463	1.0
104.15794	1.0
105.07034	24.2
106.07360	1.6
106.72469	1.0
107.04923	2.3
107.08585	8.0
109.06504	2.5
109.10155	6.3
115.05464	1.2
117.07028	11.6
119.08586	14.0
121.06473	1.4
121.10138	5.2
123.08112	1.9
123.11684	1.4
125.09602	1.5
128.06261	2.0
129.07001	6.6
129.38359	1.0
131.08554	18.1
133.06537	1.4
133.10135	10.8
134.10558	1.4
135.08055	2.7
135.11668	3.5
141.07016	2.5
142.07823	1.4
143.08582	5.6
145.06421	1.1
145.10120	10.7
147.08073	2.1
147.11682	4.8
148.11955	1.4
149.09615	2.3
149.13266	1.1
151.11143	1.3
155.08536	4.8
157.10127	5.5
159.08115	1.1
159.11703	5.3
161.13240	1.8
163.11188	1.2
167.08549	1.3
169.10147	3.5
171.11688	3.5
173.13290	3.0
176.81046	0.9
181.10158	1.9
183.11763	2.2
185.13300	1.9
187.14894	1.5
195.11700	2.2
195.71800	1.1
197.13393	1.2
199.14813	1.0
205.41824	0.9
215.14391	1.4
217.15892	1.2
223.14929	1.0
247.16859	1.1
251.21214	1.1
257.19086	1.1
273.18497	1.4
275.19980	5.3
276.20462	3.1
304.21887	1.0
327.90698	1.0
335.23752	1.3
343.26456	2.0
349.23734	1.1
350.24332	1.1
353.24765	5.8
371.26035	5.9
389.26822	7.7
445.29483	100.0
446.29758	4.0
463.30511	21.8
548.05139	1.0
624.42731	1.5
642.29266	2.3
642.44012	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	642.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01863	4.6
55.05516	14.3
57.03424	3.0
57.07064	2.5
57.60993	1.5
61.02916	2.0
63.26504	1.4
64.31398	1.6
65.89498	1.5
67.05183	2.3
67.05505	29.4
69.07068	10.6
71.04990	4.4
71.57847	2.8
79.05491	23.7
81.03421	1.9
81.07058	29.1
83.04971	3.0
83.08604	5.0
85.02898	2.9
85.79603	1.6
91.05474	26.9
93.07047	27.6
94.07347	1.9
95.04957	5.5
95.08603	19.1
97.06522	5.1
97.10165	4.3
105.06393	2.4
105.07032	30.1
106.07321	2.4
107.04944	5.9
107.08571	14.1
108.08940	2.0
109.06519	2.3
109.10149	8.3
111.08081	3.4
115.05475	1.6
117.07008	12.2
118.86104	1.5
119.08576	16.3
121.06541	3.8
121.10116	11.4
122.59622	1.7
123.11717	2.1
125.09582	3.7
129.07018	9.4
131.08569	23.1
133.06516	2.7
133.10153	11.7
134.85182	1.7
135.08046	5.0
135.11662	4.1
141.07043	2.5
143.08546	11.4
145.06561	1.8
145.10135	13.4
147.07997	4.1
147.11665	6.5
149.09608	6.2
151.11121	1.7
155.08536	6.1
157.10124	7.3
159.07986	3.2
159.11696	6.9
161.09532	2.4
161.13232	3.4
163.11206	2.0
167.08606	3.1
169.10083	3.7
171.11667	6.7
173.13298	5.2
175.11223	2.0
181.10088	3.2
183.11771	3.7
185.13260	3.9
187.14798	2.8
195.11694	2.1
197.13295	3.2
209.13104	2.1
211.14798	2.4
213.12532	1.7
223.14740	2.6
227.12773	2.1
228.13080	2.7
237.16409	2.2
239.17857	1.8
258.18976	2.2
275.20044	9.5
276.20285	8.9
303.55664	1.7
335.23642	3.4
343.26276	3.0
349.23712	2.7
350.24002	2.6
353.24606	7.9
371.25653	8.0
389.26736	7.0
392.55746	1.8
427.28186	4.6
445.29495	100.0
446.29630	3.5
463.30508	42.8
617.77313	2.0
624.42944	5.0
642.29114	5.5
642.44733	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	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.7
53.03930	6.9
55.01862	21.9
55.05506	42.0
57.03432	9.2
59.04986	3.3
59.68595	2.9
60.37489	2.9
65.03932	7.6
67.05502	95.0
69.03410	6.4
69.06723	4.2
69.07063	44.4
71.04990	9.9
71.58174	5.2
79.05486	76.1
81.03414	12.6
81.07053	100.0
83.04964	9.9
83.08620	24.3
85.02902	3.0
85.06510	3.0
87.71754	2.8
91.05472	73.4
93.06487	2.4
93.07037	66.0
95.04972	22.9
95.08041	5.3
95.08604	54.1
97.02871	3.8
97.06524	25.6
97.10147	16.7
99.08081	3.6
105.07026	74.3
107.04961	23.2
107.08590	61.4
109.06498	13.6
109.10149	32.1
111.08070	8.1
117.06998	29.7
119.08583	43.3
121.06503	5.2
121.10131	27.6
123.08037	6.5
123.11716	10.6
125.09605	13.4
126.24693	3.1
127.87961	2.6
128.06178	4.4
129.06998	13.5
131.08583	31.6
133.06555	3.7
133.10123	45.0
135.08057	9.5
135.11661	13.5
137.09622	8.4
139.07393	2.9
139.11133	3.7
141.06958	5.6
143.08560	12.7
145.06477	3.2
145.10126	36.2
147.08066	5.9
147.11678	28.6
149.09608	27.1
149.13280	7.9
151.11134	5.7
153.09164	3.7
155.08545	8.6
157.10121	12.0
159.11723	24.8
161.09558	3.6
161.13257	8.8
163.11182	12.7
165.12750	3.4
169.10139	10.4
171.11667	9.9
173.09599	4.3
173.11882	2.9
173.13225	15.4
175.11180	6.0
175.14828	4.0
177.12813	5.4
179.14343	8.8
181.10002	5.5
183.11681	8.9
185.13255	5.3
187.14868	4.5
189.11177	7.8
189.12799	4.5
195.11745	5.3
197.13333	7.8
209.13385	3.0
211.14888	4.4
213.16396	3.6
227.12741	13.0
229.19490	6.7
239.17931	6.2
247.20607	5.3
257.18979	21.4
259.20386	2.9
260.13162	3.3
269.17252	2.9
273.18457	5.8
275.20087	99.6
293.21066	9.0
323.43466	3.3
331.22571	3.8
349.23779	33.0
363.16522	2.8
381.27878	4.9
548.27380	3.1
549.39624	4.3
623.34265	4.4
623.43005	31.3
641.44208	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95717	2.4
53.03934	8.5
55.01878	18.7
55.05511	57.8
57.03438	14.2
57.07059	2.8
59.04996	3.2
65.03941	5.4
67.05506	100.0
69.03417	8.5
69.07072	46.0
69.36874	25.5
71.04975	10.8
71.08656	2.6
77.28648	2.3
79.05494	85.8
81.03410	7.3
81.07055	92.2
83.04975	10.1
83.08619	28.5
85.06519	7.1
91.05479	76.4
93.07046	73.8
95.04967	23.5
95.08604	55.4
97.02874	7.3
97.06534	7.7
97.10168	35.2
98.21484	4.0
99.08072	5.7
103.56508	2.9
105.04630	3.0
105.07028	64.5
107.04955	13.0
107.08588	49.8
109.06533	14.6
109.10165	32.5
109.99795	2.4
111.08085	5.8
115.05468	4.7
117.07008	33.9
119.08575	59.5
121.06493	8.7
121.10139	25.6
123.08091	12.1
123.11696	7.4
125.09637	30.2
128.06212	7.9
129.07028	21.0
131.08568	37.7
133.06447	2.8
133.10136	44.7
135.08047	14.9
135.11707	16.2
137.09592	15.0
141.06987	9.9
142.07788	3.7
143.08539	24.6
145.06474	4.3
145.10112	35.8
147.08060	8.3
147.11681	30.9
149.09639	6.9
149.13252	11.0
151.11156	6.6
153.06927	2.7
153.09103	4.0
155.08566	12.8
156.09341	3.1
157.10132	23.4
159.08066	8.6
159.11685	27.5
161.09579	5.5
161.13261	23.7
163.07632	3.3
163.11215	5.9
165.06912	3.2
167.08566	6.8
169.10109	17.9
171.11664	21.8
173.09605	5.4
173.13274	17.9
175.11203	4.1
175.14809	13.3
177.12715	4.1
179.14374	3.5
181.10104	10.2
183.11710	13.8
185.09732	3.6
185.13263	16.4
187.11212	4.7
187.13377	2.8
187.14874	7.9
189.11223	19.8
189.12686	6.0
193.10054	3.7
195.11702	8.8
196.37804	2.8
197.13307	12.2
199.11171	3.5
199.14737	5.7
201.16238	2.7
207.11710	3.7
209.13368	5.7
211.14803	4.9
213.16373	3.2
215.18008	4.0
221.13263	5.9
223.13132	16.7
225.16446	5.5
227.12726	24.1
227.17854	3.6
237.16283	4.4
239.18005	3.4
241.19550	16.9
245.13884	5.6
247.17065	2.4
247.20398	2.7
253.15813	3.0
257.18890	3.8
259.20609	35.6
261.18539	7.6
271.17038	5.0
273.18503	10.9
275.20026	17.9
285.22153	4.8
289.18036	22.3
291.19543	74.8
307.18942	3.3
315.23184	3.9
333.24213	23.0
335.25879	4.8
349.23929	6.0
363.26776	3.9
365.23257	21.8
379.30026	7.2
381.28223	4.4
397.30890	3.2
419.28983	2.9
470.85913	3.1
511.34439	4.9
513.36377	2.9
529.35083	11.3
531.38226	10.5
549.39240	8.1
605.42310	15.0
605.51208	2.7
623.28149	9.6
623.43018	66.8
641.35101	3.6
641.44214	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	641.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01858	6.7
55.05508	30.6
57.03430	12.7
61.02916	37.4
65.03931	6.1
67.05499	73.1
69.03427	13.1
69.07063	30.2
70.70479	2.9
70.70832	8.3
71.04984	10.2
73.02905	11.1
73.82569	2.3
79.05063	3.9
79.05488	58.3
81.03405	9.9
81.07048	66.8
83.04961	7.4
83.08607	24.7
85.02898	29.6
85.06517	5.8
91.03942	18.5
91.05471	78.8
93.07038	54.0
95.04949	15.6
95.08594	40.8
97.02894	21.7
97.06532	10.8
97.10148	5.8
99.04419	2.7
99.08046	3.4
103.05467	6.0
105.07026	69.2
107.04938	10.4
107.08587	25.8
109.02868	5.0
109.06506	11.2
109.10120	11.3
111.08096	7.5
115.05431	10.9
117.07010	58.1
119.04955	3.4
119.08563	34.3
121.06496	12.3
121.10132	18.3
123.08089	6.9
125.09626	5.4
127.03888	7.5
128.06209	15.9
129.06992	58.2
130.07854	3.2
131.04922	5.3
131.08549	80.4
133.06470	12.6
133.10109	27.0
135.08049	7.9
135.11670	10.7
137.09627	3.9
141.06972	31.9
142.07739	8.2
143.07497	3.7
143.08549	51.9
145.06474	18.8
145.10103	32.6
147.07997	13.2
147.11690	11.5
149.09587	13.7
149.13252	3.4
151.11122	3.0
153.06982	9.1
153.93565	2.7
154.07730	3.9
155.08534	44.7
156.09271	3.2
157.06456	4.8
157.10109	28.9
159.08018	8.4
159.11673	27.8
161.09639	5.5
161.13193	5.5
163.11165	10.2
165.06999	5.6
167.07126	5.3
167.08568	16.8
168.09406	2.5
169.10123	26.8
171.08006	6.2
171.11655	19.8
173.09625	7.0
173.13258	9.0
175.11150	11.7
177.12776	13.3
178.04889	2.8
179.08562	11.0
180.09343	4.3
181.05019	4.6
181.10159	22.7
183.11635	18.4
185.09590	5.6
185.13243	17.1
187.11209	6.6
187.14778	4.4
191.08644	2.5
191.10651	2.6
193.10085	10.1
193.12039	2.6
195.11713	25.6
197.13213	12.8
199.11183	5.1
199.14896	4.1
201.12756	4.6
203.14343	3.5
205.10179	3.7
207.11632	8.2
207.13583	2.7
209.13284	18.3
211.11201	5.6
211.14816	11.1
213.12791	5.7
213.16350	4.2
215.14255	8.5
221.13255	21.6
223.14819	19.7
225.12770	5.9
225.16441	5.2
227.14354	4.7
229.15840	5.7
233.13129	5.2
235.14790	12.3
237.16383	3.9
239.14244	10.1
240.04182	4.1
241.04987	4.0
241.15840	6.6
243.02805	3.6
243.13766	4.4
245.15385	3.3
249.16379	4.7
251.14197	2.3
253.15863	9.3
254.02147	5.8
255.13837	3.4
256.03647	5.8
257.12894	2.9
257.15347	13.9
258.05197	3.9
259.16882	6.9
267.17520	2.6
268.03888	2.8
269.04480	19.2
270.04971	2.8
271.06027	5.7
271.16937	11.8
282.01624	7.3
284.03192	4.5
285.12439	2.9
285.18506	8.0
297.03799	13.0
298.04349	3.2
299.05518	12.6
301.07199	4.2
305.22653	4.0
307.19116	8.6
311.05423	3.8
313.07013	14.2
314.04166	4.8
315.21017	6.0
323.23611	11.6
327.04950	10.4
329.06372	3.6
333.22165	30.9
341.24756	18.3
351.23148	100.0
359.25833	3.0
369.24231	86.0
387.25311	55.9
425.26712	7.2
443.27853	61.2
461.29016	78.0
462.29337	2.9
479.30035	20.9
641.12897	60.6
642.12878	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	641.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01862	11.0
55.05508	37.5
56.97131	2.6
57.03418	10.7
59.77924	2.3
61.02924	33.6
61.80628	2.4
64.32379	2.3
65.03910	6.5
67.05505	72.6
69.03416	15.7
69.07066	26.2
69.95134	15.3
71.04972	8.5
73.02908	10.1
77.24830	2.7
79.05487	63.5
81.03419	14.7
81.07052	76.8
83.04962	11.8
83.08614	24.3
85.02895	28.3
85.06533	6.9
91.03959	15.7
91.05474	88.7
93.07042	63.7
95.04959	16.9
95.08598	42.9
97.02876	21.4
97.06502	11.6
97.10155	8.4
99.04416	3.0
99.08053	4.5
101.02380	3.2
103.05439	4.0
104.36696	2.6
105.07017	68.4
107.04944	19.2
107.08598	26.4
109.02835	2.9
109.06495	12.3
109.10162	15.4
111.04390	2.7
111.08074	9.6
115.05434	8.5
116.06226	4.0
117.07001	52.4
119.04971	4.6
119.08580	36.2
121.06543	13.5
121.10134	18.3
123.04367	2.7
123.08047	8.4
123.11635	3.3
125.09646	4.5
127.03909	4.5
127.07462	2.7
128.06183	15.2
129.07004	63.0
131.04883	5.2
131.08559	80.9
133.06464	9.9
133.10133	25.8
135.04344	5.2
135.08028	7.6
135.11678	10.3
137.05957	4.8
139.11151	3.1
141.06995	23.8
142.07742	8.7
143.08549	49.1
145.06502	17.7
145.10117	36.1
147.08028	12.3
147.11671	11.6
149.09578	9.4
149.13223	6.6
151.11070	4.0
153.06924	7.4
154.07790	4.0
155.08537	44.8
157.06447	5.6
157.10112	26.7
159.08040	10.3
159.11676	24.8
161.05872	3.4
161.09602	6.2
163.03934	3.6
163.07492	3.1
163.11192	7.2
164.06911	3.1
165.07011	7.9
165.12715	3.9
166.07712	3.3
167.07198	4.7
167.08545	26.3
169.06435	2.9
169.10121	26.0
171.08041	5.9
171.11674	17.3
173.09674	4.9
173.13239	6.0
175.09683	2.8
175.11179	8.8
177.12758	8.7
179.08507	6.8
180.09312	4.4
180.71695	2.8
181.04987	7.1
181.10104	24.0
182.11008	2.9
183.11693	20.9
185.13225	11.7
187.11162	6.2
187.14685	3.7
193.10146	7.4
193.12317	3.2
195.11749	19.4
195.13338	3.8
197.09647	3.1
197.13269	10.5
199.11157	3.5
199.14876	6.2
201.12732	4.4
205.12155	4.0
207.11665	9.3
207.13588	3.8
209.13240	10.4
211.11189	4.2
211.14761	9.4
213.12743	6.8
215.14319	6.3
219.13818	4.6
221.13268	14.5
223.14874	13.8
225.12794	4.2
225.16296	5.7
227.14302	3.3
233.15353	4.7
235.14757	8.7
237.16432	4.4
239.14267	10.4
241.15794	8.8
249.16496	3.3
253.15782	3.5
257.15338	7.6
259.17053	4.0
263.11664	5.6
265.13443	4.3
265.15976	3.6
269.12747	5.0
271.16913	8.6
281.12775	10.5
305.22302	6.4
307.18982	6.6
323.23608	8.8
333.22119	27.3
341.24826	16.0
351.23175	76.6
359.25742	3.7
369.19482	3.7
369.24185	76.4
387.25308	60.8
396.77200	3.3
416.62195	2.9
425.26642	4.6
429.26129	4.0
443.27893	59.3
458.16556	4.2
461.28986	100.0
462.29163	4.7
479.30029	34.4
503.30164	5.2
569.30188	3.4
609.23102	7.6
641.24329	4.9
641.31915	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	641.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05502	1.2
57.03453	1.2
61.02914	1.6
67.05534	0.9
69.03429	2.5
69.75973	4.3
70.06584	3.4
71.05007	1.4
72.04510	17.6
73.02906	2.4
78.58212	0.7
81.03418	1.9
81.07059	1.6
84.75874	0.9
85.02923	4.2
86.09703	1.2
88.04007	0.8
89.03914	1.5
91.05498	2.2
93.07059	1.3
95.04989	1.6
97.02911	2.5
105.07038	1.6
106.06535	5.5
107.04914	1.1
107.07338	1.0
107.08572	1.7
109.02885	0.9
112.07604	1.0
117.03359	4.1
117.05717	1.1
118.06534	8.8
119.04984	1.1
120.08109	2.7
127.03961	1.9
130.06625	1.4
131.07320	3.9
131.08540	1.3
132.08075	4.8
133.08891	1.1
134.09660	2.0
135.04341	1.3
137.06004	2.0
144.08070	5.2
145.02844	10.3
145.10080	0.9
146.09618	9.4
147.04442	2.9
149.06030	1.2
149.79401	0.8
151.03981	0.8
151.07513	0.9
153.01785	1.2
158.09705	2.7
159.10414	1.2
160.11211	9.7
163.03914	2.0
167.07004	0.8
172.11168	7.5
173.11903	1.0
174.12802	2.0
177.05457	16.8
178.05852	0.8
181.04973	1.0
186.12830	1.4
189.10130	3.8
201.10181	1.2
202.15965	1.0
203.11861	3.7
204.12578	1.1
214.16180	0.8
215.08281	1.5
217.13341	8.1
229.05074	0.8
231.14923	1.4
244.20541	12.4
260.20016	1.8
272.20065	88.0
273.20374	2.3
287.05643	2.8
290.21127	25.0
290.24158	1.5
298.21628	6.3
303.04938	9.6
316.22672	24.6
316.26151	1.6
317.06546	5.9
321.09869	1.1
331.24100	2.2
333.06107	1.2
341.22241	1.7
342.20660	5.6
343.23795	11.6
346.23700	10.2
347.72977	0.8
359.23401	3.6
361.24826	33.2
364.24805	6.1
369.21725	9.9
370.20169	7.1
387.22736	34.0
388.21216	4.4
390.26379	5.4
405.24048	3.7
416.24359	1.3
417.27469	19.9
435.22580	0.9
435.28558	23.0
461.26437	68.2
462.24866	16.8
479.27496	100.0
480.28030	4.0
552.31793	2.8
579.32727	8.2
597.33783	10.0
623.31750	20.9
624.30304	7.4
641.32886	32.5
642.33722	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01861	3.6
55.05519	8.4
57.03426	3.2
67.05502	19.9
69.03419	1.8
69.07070	7.6
71.31526	2.8
79.05492	21.7
81.03423	2.5
81.07049	19.1
83.04977	2.6
83.08588	3.7
91.05469	17.4
93.07039	14.7
95.04953	5.6
95.08606	12.8
97.06541	5.5
97.10147	2.6
103.33614	1.1
105.07025	15.4
105.65430	1.2
107.04932	3.8
107.08598	13.7
109.06519	3.6
109.10152	6.5
117.07006	8.6
119.08565	11.4
121.06516	2.5
121.10130	6.6
123.08052	2.0
123.11674	1.5
125.09614	3.1
129.07004	2.9
131.08577	11.0
133.06520	1.4
133.10114	11.8
135.07991	3.1
135.11665	4.0
137.09627	1.9
143.08556	3.5
145.10095	6.3
147.08054	1.7
147.11694	5.7
149.09612	4.8
149.13176	1.6
151.11200	2.0
155.08572	2.1
157.10081	3.9
159.08015	3.9
159.11671	3.8
160.55049	1.2
161.13260	2.9
163.11223	2.3
163.14941	1.3
165.09175	1.5
169.10106	2.3
171.11665	2.6
172.10004	1.3
173.13225	2.9
175.11180	2.0
183.11705	1.5
185.10748	1.8
185.13240	1.7
197.13268	1.7
201.16368	1.3
209.10835	2.0
210.11501	2.8
211.12363	2.6
215.17935	1.2
223.12390	2.1
224.11101	1.5
224.13142	3.9
225.13884	4.2
227.12552	1.3
237.13931	2.3
238.14594	1.3
239.11897	1.5
239.15413	3.1
251.15466	2.0
267.14862	2.5
273.18564	1.4
275.20026	16.2
276.14828	1.6
289.18039	5.7
290.16647	2.5
291.19650	2.9
292.17950	2.4
293.21347	1.6
313.15677	1.9
318.16068	1.9
319.16693	2.0
332.17557	2.6
334.19525	1.5
335.25729	1.8
344.17612	1.6
349.19849	1.3
349.23633	5.6
360.20633	1.4
384.17032	2.8
391.19250	1.9
392.19489	3.7
393.20786	2.4
397.13895	1.6
404.20007	1.6
405.21005	1.7
406.21265	4.7
407.22455	8.0
412.16541	2.6
414.18277	1.4
415.19040	2.5
417.20746	1.7
418.21295	2.3
419.21893	4.0
420.22910	4.0
421.23892	7.9
422.24454	12.5
426.17941	2.0
428.19626	1.3
429.20908	1.6
433.23877	1.8
434.16864	1.5
434.24371	9.6
435.21841	3.4
444.19180	4.8
445.20099	2.2
447.17401	1.8
448.19467	2.5
449.23416	1.5
460.22711	1.6
461.18875	1.9
462.19910	2.4
463.21246	11.7
472.21976	1.5
473.23010	2.4
475.21378	6.2
476.20258	2.6
477.23114	7.6
485.23526	1.7
487.25287	1.5
491.24179	2.7
494.26785	3.7
495.27380	2.4
508.22052	3.6
517.22314	1.4
520.21283	2.2
531.24390	1.5
535.23193	1.5
545.25677	7.5
547.19580	1.8
547.27014	13.6
549.24915	19.7
550.25488	6.3
561.20831	2.6
563.26337	9.4
565.27997	2.5
576.23627	3.4
577.24493	1.8
579.29553	3.2
581.26886	2.2
591.26025	62.5
605.27502	8.1
609.27240	18.9
623.28595	100.0
623.42383	6.0
624.28595	3.2
641.29181	13.2
641.43762	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	641.2963
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.48873	0.3
55.05496	1.4
56.05644	0.4
57.03435	0.4
58.18911	0.3
60.37601	0.3
67.05505	2.6
69.03416	0.7
69.07040	0.7
69.57999	0.3
79.05481	2.6
79.18743	0.3
81.03439	0.3
81.07057	2.8
83.04988	0.5
83.08613	0.6
91.05479	2.1
93.07025	1.7
95.04948	0.5
95.08588	1.2
97.06539	0.7
97.10172	0.4
105.06998	1.8
107.04977	0.7
107.08601	1.3
109.06495	0.5
109.10166	1.2
117.07017	0.9
119.08595	1.8
121.10144	0.6
122.26160	0.3
123.11685	0.4
125.09607	0.4
126.61057	0.3
131.08583	1.0
133.10127	1.1
143.08592	0.4
145.10106	1.2
147.11688	0.8
149.09596	0.7
157.10120	0.6
159.11623	0.7
171.11745	0.3
173.13300	0.4
177.12735	0.4
189.11230	0.4
193.55414	0.3
227.12796	0.4
229.19981	0.3
257.18997	0.7
264.87000	0.3
275.20053	2.8
314.12964	0.4
349.23712	1.5
377.17737	1.2
378.18433	0.5
379.19131	1.3
380.19955	0.3
390.18433	0.4
391.14957	0.6
391.19241	1.5
392.19998	1.1
393.16504	0.5
393.20731	2.2
404.20105	0.5
405.16687	2.3
406.17847	1.3
407.22659	5.0
408.23123	0.7
418.17917	0.9
419.18350	3.9
420.19016	2.1
420.24393	0.5
421.20325	5.6
423.22012	1.0
433.20352	5.2
434.21408	4.5
435.21906	8.1
436.22528	1.3
447.21817	1.3
448.18130	0.5
449.19586	8.2
450.20285	0.7
461.18762	0.4
461.23929	0.6
462.20435	0.9
463.20932	3.2
464.22189	1.7
467.24371	0.9
469.91922	0.4
476.22784	0.5
477.22769	0.7
479.20282	0.9
480.21048	0.5
481.22238	1.8
483.24390	0.4
493.21667	2.5
494.22943	3.2
495.23642	3.5
506.22925	0.5
507.23941	1.3
521.25732	10.3
522.26202	0.5
523.26605	1.1
535.23676	1.1
539.22498	1.7
549.25226	0.9
551.26434	0.6
553.26575	0.8
563.26642	1.0
567.25818	0.5
581.27649	18.2
582.28162	1.2
595.25885	0.4
609.26843	0.4
623.42596	0.5
641.29626	100.0
642.29565	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	4.1
55.05507	4.7
57.03436	0.9
57.07075	0.8
65.03925	0.8
67.05504	9.0
69.03390	0.6
69.07058	4.8
71.58131	0.7
79.05489	6.4
81.03414	1.6
81.07057	12.3
83.04961	1.3
83.08617	2.0
84.96032	0.5
85.06527	0.9
91.05476	9.4
93.07037	8.5
95.01328	0.6
95.04948	3.1
95.08592	6.1
97.06528	5.8
97.10177	0.9
101.59628	0.6
105.07032	10.9
107.04945	3.7
107.08564	5.3
109.06509	1.4
109.10190	2.5
115.83327	0.5
117.06998	3.3
119.08566	5.1
120.08117	0.6
121.10139	2.1
123.08062	0.5
123.11679	0.5
125.09692	1.1
129.06993	1.2
131.08565	4.0
133.10106	5.8
135.08031	0.9
135.11707	1.7
138.99330	0.5
143.08582	1.0
145.10123	3.0
147.11664	2.6
149.09647	2.0
149.13202	0.5
155.08556	1.2
157.10132	1.2
159.11671	2.9
161.09651	0.9
161.13264	0.9
163.11212	1.8
167.08656	0.6
169.10150	1.2
171.11761	1.1
173.13295	1.1
177.12720	0.9
179.14381	1.3
183.11746	0.8
187.14861	0.6
188.14528	0.5
189.11272	0.5
199.14929	0.7
225.10197	0.6
227.12712	0.7
229.19498	0.7
239.18005	0.8
247.20569	1.1
251.11816	0.6
257.19150	1.9
273.18472	0.7
275.20065	13.5
293.20966	0.8
314.12970	0.5
314.16513	0.6
316.14645	0.6
328.14478	0.6
349.23654	4.6
370.15689	0.6
390.18204	1.0
391.19138	0.8
404.16006	1.0
405.21262	0.7
406.21545	1.0
418.17889	1.4
419.18607	2.3
420.18484	0.6
421.24991	0.6
432.19543	0.9
433.20181	4.0
434.20819	2.3
435.21802	1.4
436.18671	0.6
437.19626	0.8
447.17407	1.0
447.22079	1.7
448.22882	1.2
449.23486	1.4
461.19440	9.0
462.20547	4.0
463.21320	1.1
465.19385	2.1
467.24390	2.2
475.21152	0.8
476.22070	2.5
477.22736	3.4
479.20779	1.1
480.21860	1.3
488.21295	0.7
489.22922	1.0
493.22101	1.3
494.22751	3.1
495.24033	0.9
503.24734	0.7
505.22598	0.6
507.23807	0.9
520.24451	0.8
521.25598	1.6
533.21338	0.7
535.25696	1.0
537.22955	0.6
548.24146	2.8
549.24841	1.8
553.27881	1.4
563.26624	5.1
565.23834	0.7
576.23535	0.7
581.27631	10.6
608.25983	1.6
612.25281	0.8
623.28839	4.1
623.43140	2.7
641.29639	100.0
642.29871	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	641.1709
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03953	0.4
55.01877	0.6
55.05491	0.6
56.19101	0.4
57.03432	2.2
60.50135	0.4
61.02909	1.6
68.99808	0.4
69.03412	0.8
69.26363	4.7
70.06596	0.5
71.04987	14.3
73.02897	0.8
75.04474	0.8
81.03410	0.8
83.04918	0.7
85.02900	15.9
87.04454	0.7
91.03942	1.0
93.07015	0.6
95.04971	0.4
97.02892	1.2
108.02103	0.5
109.02861	1.1
110.49844	0.3
111.00795	0.8
111.04472	0.6
119.04916	0.5
121.02868	0.4
127.03892	0.7
129.05486	3.7
137.02374	0.9
137.05887	0.5
139.03896	1.8
147.04413	0.4
147.06505	1.4
153.01814	4.4
165.01915	1.9
167.02074	0.4
167.03357	2.0
177.05388	0.9
177.16304	0.5
179.03415	0.6
183.02817	0.7
189.05498	0.6
193.04912	0.8
197.12794	0.4
217.04938	1.9
219.02869	3.0
233.04381	1.1
241.04951	0.5
244.03706	1.5
245.04517	2.8
259.06033	0.5
261.00266	0.5
261.03812	0.8
273.03925	3.2
274.04886	0.5
277.06906	1.0
287.05396	2.2
289.03427	2.5
290.04211	1.5
300.02420	0.5
301.03439	5.0
302.04086	0.8
303.04706	0.8
304.05685	0.7
315.05231	0.5
317.06573	4.2
318.03671	10.7
333.06021	100.0
334.06348	1.9
345.05933	0.9
375.07056	1.4
399.06790	0.6
426.18362	0.6
433.14413	0.5
495.11581	0.7
591.66443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1709
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
55.05507	0.5
57.03434	2.2
58.15825	0.3
58.28640	0.3
59.25058	0.3
61.02934	1.6
65.03915	0.3
68.99784	0.7
69.03413	0.4
69.28281	1.7
69.28710	1.8
70.06562	0.5
71.04993	12.6
72.22557	0.3
73.02901	0.8
75.04453	0.5
83.04974	0.6
84.99881	0.3
85.02905	16.0
86.65910	0.3
91.03955	0.7
95.04974	0.3
97.02882	1.3
109.02853	1.2
111.00840	0.7
111.04433	1.0
113.84996	0.4
123.04370	0.6
127.03876	0.5
129.05464	3.7
130.50546	0.3
133.02835	0.3
137.02339	0.8
137.05933	0.4
139.03899	2.0
142.73692	0.4
145.02827	0.4
147.06487	1.0
151.03851	0.5
153.01802	5.8
165.01869	1.8
166.02629	0.4
167.03313	1.6
167.06985	0.5
177.05524	0.7
183.02835	0.7
193.04988	0.5
200.16699	0.3
208.03636	0.6
217.04971	2.3
219.02931	2.5
223.48146	0.3
233.04503	1.0
234.05063	0.4
244.03726	1.2
245.04436	3.2
247.02299	0.5
259.06027	0.7
261.04004	0.8
273.03976	3.4
277.06943	0.7
287.05408	1.7
289.03430	2.1
290.04303	1.6
301.03458	5.3
302.04031	0.6
303.05087	0.8
315.05133	0.4
317.06464	3.6
318.03693	8.6
318.07285	0.6
333.06033	100.0
334.06277	1.5
345.06088	0.5
375.07153	1.0
399.07178	0.8
433.15186	0.5
467.24280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1708
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
55.05507	0.4
57.03431	1.9
61.02921	1.8
61.35048	0.3
68.99770	0.6
69.03408	0.5
70.06582	0.5
71.04600	0.7
71.04989	11.9
71.56693	0.5
73.02895	1.0
75.04462	0.5
81.03377	0.3
83.04940	0.5
85.02901	14.5
86.09712	0.4
87.04449	0.4
91.03928	0.9
96.05594	0.5
97.02884	1.2
109.02843	0.8
111.00787	0.8
111.04480	0.5
129.05487	3.5
137.02324	0.9
139.03870	1.8
147.06473	0.9
153.01823	5.6
153.05461	0.4
165.01836	1.5
166.02707	0.5
167.03387	1.6
177.05408	0.5
179.03419	0.3
181.87703	0.4
183.02864	0.5
189.05498	0.6
193.05072	0.5
195.02794	0.4
206.05769	0.4
208.03566	0.4
217.04890	1.8
219.02917	2.0
231.06558	0.4
233.04414	1.4
234.05312	0.5
241.05081	0.4
243.02808	0.4
244.03734	1.1
245.04477	2.9
255.02913	0.5
259.05954	0.5
261.03879	0.7
273.03891	3.6
277.06989	1.0
287.05490	1.1
289.03415	2.1
290.04202	1.5
300.02618	0.4
301.03394	5.1
302.04181	0.8
315.05008	0.6
317.06506	1.8
318.03699	8.2
333.06030	100.0
334.06274	2.5
345.06094	1.2
357.06439	0.5
375.07166	1.9
399.06940	1.2
447.17673	1.1
477.10208	0.5
479.11749	0.8
495.11340	1.3
623.20337	0.6
654.36975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1711
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
54.65109	0.2
57.03429	0.5
60.81482	0.2
61.02924	5.0
69.03423	1.0
70.06580	0.3
70.21954	0.2
70.86915	0.5
71.04972	0.3
73.02912	1.4
74.38771	0.2
81.03403	0.5
85.02902	4.1
89.36831	0.2
91.03956	2.1
92.02640	0.5
93.03409	0.5
97.02885	2.9
109.02940	0.2
117.54228	0.2
121.02866	0.8
127.03918	0.8
137.02373	0.2
137.17320	0.2
139.03928	0.9
147.04391	0.2
151.03926	0.9
152.35222	0.2
153.01828	6.2
165.01849	0.5
177.05499	0.6
177.33578	0.2
195.06146	0.2
201.05548	0.4
203.03403	0.4
217.04955	0.5
218.05792	0.4
228.04131	1.2
229.04964	2.8
231.02966	0.4
245.04494	0.8
246.05260	1.3
257.04407	2.4
261.07541	0.3
273.03964	1.4
274.04706	4.1
284.03201	0.3
285.03915	3.6
302.04214	12.7
303.04712	0.5
317.06543	100.0
318.06891	1.8
333.06009	1.2
359.07913	0.3
479.11835	6.5
641.21552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1707
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03911	0.1
55.01834	0.1
55.07921	0.1
57.03426	0.4
61.02923	4.9
65.03925	0.2
68.99788	0.1
69.03415	1.0
71.04986	0.6
71.56804	0.1
73.02915	1.0
81.03391	0.5
84.78165	0.1
85.02900	4.6
91.03413	0.1
91.03951	2.5
92.02619	0.7
93.03401	0.9
97.02290	0.2
97.02885	2.1
99.04435	0.3
101.02360	0.1
109.02828	0.2
111.00790	0.2
115.03880	0.2
121.02859	0.8
126.03105	0.2
127.03925	0.8
135.04292	0.1
137.02316	0.3
139.03882	0.9
145.04955	0.4
150.03098	0.1
151.03897	1.1
151.04993	0.1
153.01816	5.6
163.03879	0.2
165.01791	0.6
166.02625	0.1
169.01334	0.1
176.58450	0.1
177.05460	0.2
183.02907	0.1
183.04356	0.1
196.53705	0.1
200.04677	0.1
201.05464	0.6
201.13110	0.1
203.03293	0.2
211.03923	0.1
217.05040	0.4
218.05766	0.5
219.02942	0.2
228.04182	0.9
229.04953	2.8
231.02866	0.3
233.04341	0.1
243.06506	0.1
245.04468	0.8
246.05222	1.4
247.02159	0.1
256.03616	0.3
257.04443	2.4
260.03134	0.3
260.41135	0.1
261.07513	0.3
271.06039	0.2
273.03879	1.6
274.04733	3.7
275.05060	0.2
282.92999	0.1
284.03116	0.5
285.03952	4.1
286.04568	0.3
287.02023	0.1
288.06161	0.3
301.03342	0.3
302.04190	12.8
303.04581	0.2
316.05634	0.1
317.06531	100.0
318.03287	0.2
318.06894	1.8
329.06570	0.4
333.06125	0.9
355.08276	0.1
359.07748	0.3
375.05847	0.2
383.07626	0.3
393.06723	0.2
408.03821	0.1
443.09381	0.1
450.90891	0.1
461.10425	0.2
479.11807	7.5
480.11877	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.3
55.05507	4.8
55.36253	1.2
57.03428	2.1
59.85003	1.3
61.02920	2.8
65.34662	1.4
67.05510	8.6
68.99776	2.4
69.03416	3.9
69.07070	2.6
70.06578	3.5
71.04971	2.0
71.57176	2.1
72.08133	1.7
74.05147	1.3
79.05494	8.5
81.03416	5.1
81.07036	8.3
83.01322	1.7
83.04984	2.4
83.08604	3.0
84.08174	1.9
85.02904	12.5
86.09695	1.8
87.04472	1.7
89.03912	2.3
91.05492	9.8
93.03443	1.4
93.07043	7.0
95.01308	2.4
95.04976	5.5
95.08601	3.9
97.02880	5.5
97.06547	1.8
97.10184	1.7
99.04422	1.6
102.07378	1.3
103.05489	1.5
105.03423	1.5
105.07023	8.5
107.04948	4.4
107.08589	3.6
109.02883	4.6
109.06567	2.6
111.04472	1.9
115.05451	2.8
117.03374	5.1
117.07048	7.0
119.04984	2.4
119.08591	4.0
121.02869	3.4
121.06509	2.9
121.10140	1.8
123.04430	4.1
125.02409	1.7
127.03949	1.8
129.07001	5.8
129.74565	1.5
131.04919	3.1
131.08574	4.6
133.02834	2.7
133.06473	3.8
133.10100	3.1
135.04416	5.5
135.11636	2.4
137.02371	1.7
137.06001	2.8
139.03824	2.1
141.07008	2.7
142.07710	1.4
143.08578	3.8
144.05768	1.6
145.02840	16.8
145.06494	5.9
145.10129	5.4
147.04390	5.5
147.08054	2.5
147.11610	1.7
149.02309	4.7
149.05974	6.7
151.03900	5.4
153.01880	1.8
153.07068	1.9
155.08551	5.0
157.06534	4.2
157.10149	2.6
157.87042	1.3
159.04414	3.5
159.07959	2.6
159.11769	2.7
161.05977	4.6
161.09651	1.8
163.03880	6.7
165.01865	2.4
165.05481	2.4
165.06926	2.3
167.03445	2.4
167.08586	3.6
169.10120	3.6
171.04393	2.0
171.08076	2.8
171.11658	2.0
173.06007	4.9
173.09604	1.8
175.03873	4.7
175.07484	3.8
175.11050	1.5
177.05481	19.6
181.04852	2.2
181.06416	1.6
183.08191	3.0
183.11667	1.7
185.09622	3.7
189.05467	6.5
191.03406	2.5
193.04915	2.1
195.11636	2.0
197.09634	2.9
199.07538	1.7
199.11229	1.9
201.05450	3.9
203.03416	1.7
203.10674	1.7
205.04942	2.9
205.10207	2.3
211.11209	2.2
213.05486	2.2
213.09015	2.2
213.12718	3.8
215.10651	4.2
217.04996	3.4
219.10205	2.0
221.04384	14.1
223.11269	3.9
225.09120	3.4
227.10634	4.2
231.06581	2.5
231.10130	2.9
231.13902	1.7
233.11612	8.4
234.09982	1.4
235.05943	3.0
241.12244	6.8
241.65456	1.4
243.10147	4.0
245.11879	1.9
251.10750	3.5
253.12222	1.7
255.10100	2.3
259.09525	1.5
259.13290	4.6
267.10239	1.8
269.11627	8.8
277.10760	6.3
279.10144	3.1
287.12796	10.7
289.10660	1.5
297.11316	5.2
303.04996	27.6
303.12213	3.3
305.13858	4.7
315.12213	16.0
317.06567	1.5
325.10797	1.6
333.13312	90.3
334.13705	2.4
350.34521	1.3
351.14270	16.4
360.27606	1.4
407.16959	22.6
425.18060	100.0
426.18430	2.0
443.19177	9.3
605.24005	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	640.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01863	5.2
55.05497	3.9
57.03428	3.9
61.02914	2.8
63.19218	1.0
65.03911	1.2
67.05495	7.3
69.03417	3.5
69.07050	2.5
70.06573	2.1
70.82127	3.9
71.04971	1.7
79.05495	6.9
81.03403	4.1
81.07046	8.9
83.04962	1.5
83.08617	2.5
84.04515	1.5
85.02883	7.1
89.03902	1.8
91.03953	1.7
91.05475	9.5
93.03400	1.3
93.07039	5.3
95.01311	2.0
95.04990	5.6
95.08588	2.4
97.02893	4.1
99.04400	1.3
101.02346	1.4
103.05505	2.9
105.03359	1.6
105.07040	5.7
107.04942	4.5
107.08591	2.3
109.02876	3.3
109.06541	1.4
109.10132	1.2
111.08064	1.4
115.05425	1.6
117.03362	2.9
117.07009	3.8
119.04938	2.6
119.08602	3.1
120.08118	1.2
121.02849	2.4
121.06498	1.9
121.10151	2.2
123.04409	3.4
123.08031	2.1
125.02326	1.5
125.09632	1.4
127.03922	3.2
128.06255	1.4
129.07011	5.0
130.05011	1.1
131.04921	3.9
131.08578	3.9
133.02855	1.4
133.06490	3.2
133.10130	2.5
133.30321	1.0
135.04408	4.3
135.11685	1.8
137.05945	4.9
137.09560	1.0
139.03888	1.2
141.07008	2.8
143.08566	2.1
144.05655	1.5
145.02820	7.1
145.06514	6.0
145.10110	4.4
147.04372	4.3
147.08086	1.2
147.11641	1.5
149.02359	1.8
149.05974	3.6
149.09608	1.4
151.03926	4.0
153.01756	1.9
155.03381	1.2
155.08521	3.0
157.06480	3.1
157.10109	3.7
159.04410	2.9
159.08028	2.2
161.02365	1.4
161.05989	4.5
161.09625	2.1
163.03906	3.9
163.07552	1.3
163.11235	1.3
165.01840	1.7
165.05580	2.6
165.06995	2.3
167.03418	1.8
167.08519	1.6
169.10094	1.7
171.08025	2.9
173.05991	4.7
173.09560	2.1
175.03891	5.1
175.07430	1.4
175.11154	3.0
177.05478	13.1
179.03355	1.9
179.08549	1.6
181.10127	2.2
183.08009	1.7
183.11649	1.6
185.05942	1.5
185.09604	2.4
187.03880	2.3
187.11227	1.6
189.05457	5.8
189.09132	2.1
191.03432	1.9
193.04758	1.2
195.11633	1.9
197.06210	1.2
197.09593	3.3
199.03865	2.6
199.07492	1.6
199.11191	1.8
201.05457	4.4
201.09099	1.8
203.03426	1.2
203.06978	1.7
203.10585	1.4
205.04930	2.5
213.05548	2.1
213.09108	2.4
213.12720	3.0
215.10632	2.7
217.04887	3.0
217.12161	1.3
219.10190	3.6
221.04494	10.0
223.11160	2.0
225.09233	2.1
227.10648	3.0
229.05084	1.4
231.10226	2.1
233.11665	6.4
235.05957	2.7
237.09128	1.5
241.12186	6.7
243.10075	3.0
249.11377	1.6
251.10652	4.9
253.12228	1.5
255.10225	2.0
257.04355	1.4
259.09500	1.8
259.13385	3.0
261.11191	1.5
267.10022	1.3
269.11691	7.7
271.13342	1.5
277.10699	5.0
279.10382	2.0
285.11194	1.4
287.05624	1.3
287.12766	11.1
293.08069	1.6
297.11246	6.4
303.04938	18.1
303.12317	1.4
305.13785	6.2
315.12186	18.6
325.10660	4.3
333.13263	81.4
334.13235	1.4
337.10739	1.3
351.14291	17.5
355.11362	1.2
389.16022	1.7
407.16833	22.6
407.21945	1.5
425.18036	100.0
426.18295	3.0
443.19119	10.2
622.28796	1.1
632.94598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01862	9.6
55.05507	37.2
55.24438	2.7
57.03423	13.4
59.05003	3.5
61.02930	13.0
65.03935	5.1
67.05501	100.0
68.05836	2.7
69.03419	21.4
69.07063	20.2
69.50057	8.7
69.50479	13.6
71.05001	5.2
73.02925	4.5
79.05486	52.0
81.03419	28.2
81.07046	50.3
83.04978	12.2
83.08624	24.9
85.02904	13.6
85.06555	4.5
91.05473	55.1
91.68530	2.9
93.07040	37.0
95.04961	19.4
95.08608	28.5
97.02892	15.4
97.06540	6.8
97.10173	13.0
98.70613	2.7
103.05444	6.1
105.07029	32.6
107.04973	13.8
107.08588	22.3
109.02872	9.5
109.06505	7.3
109.10146	51.0
111.04441	3.7
111.08069	10.3
115.05434	7.6
117.07007	38.9
119.04930	12.3
119.08580	26.4
121.06464	12.9
121.10133	10.3
123.04362	4.5
123.08054	4.7
125.09615	14.4
127.03891	7.5
128.06207	11.8
129.06993	31.7
131.04933	7.9
131.08536	25.7
133.06482	12.3
133.10121	12.1
135.08028	9.0
135.11644	5.5
137.09578	4.5
141.06993	10.7
142.07671	3.0
143.08533	20.9
145.06474	10.9
145.10109	14.0
147.08054	12.9
147.11676	7.0
149.09624	10.6
153.06956	4.7
153.09128	2.7
155.08502	5.5
155.10565	3.5
157.10100	8.9
159.11676	8.2
161.09599	3.0
163.03871	3.0
163.11156	6.2
165.06981	3.8
165.09102	4.3
167.08578	7.1
169.10127	9.9
171.08034	5.5
171.11668	11.8
173.04524	3.5
173.06116	2.9
173.11792	13.2
173.13104	3.9
175.11226	3.7
180.09273	3.8
185.13326	13.0
187.11125	3.3
189.11243	9.7
191.10663	3.8
195.11671	11.7
197.13252	7.8
203.14351	6.3
209.11722	6.4
213.11415	3.7
213.12830	30.9
215.14282	19.1
227.12729	6.6
229.14339	35.5
231.13768	28.0
233.15376	3.9
245.13844	4.3
249.14865	5.5
305.17398	15.0
307.19324	3.2
367.22681	6.6
377.10638	2.9
379.23444	2.9
385.23502	10.1
437.28903	3.5
441.26044	6.8
459.27405	41.9
460.27649	5.0
477.28381	37.0
551.35352	2.7
605.15778	2.7
621.32715	6.4
639.33356	25.0
663.20129	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03941	0.8
53.75611	0.6
55.01859	2.3
55.05507	2.9
57.03427	1.5
62.29589	0.6
65.03931	0.7
65.35645	0.6
67.05502	8.7
69.07067	5.7
71.58062	1.1
79.05482	7.7
81.03399	1.5
81.07054	8.3
83.08614	1.8
91.05484	8.8
93.07041	6.3
95.01342	1.1
95.04975	2.0
95.08603	5.1
97.02927	1.0
97.06521	3.6
97.10172	0.9
102.42625	0.7
105.07013	8.7
107.04971	2.2
107.08594	3.1
109.06527	1.6
109.10147	1.7
111.08079	1.0
117.07038	3.1
119.08600	5.5
121.10145	2.0
123.08053	1.3
125.09682	0.8
129.06998	1.0
131.08560	4.2
131.60106	0.7
133.10133	4.9
135.11694	1.5
143.08556	1.2
145.10091	3.3
147.08075	1.5
147.11668	1.7
149.09618	0.8
157.10068	0.7
159.08096	1.7
159.11694	1.2
169.10208	1.1
173.13252	1.0
175.99458	0.7
178.52177	0.7
179.14311	1.3
183.11743	1.0
193.12245	0.9
239.11856	0.8
240.68796	0.8
257.19016	0.8
259.77255	0.8
273.18445	2.4
275.20090	7.2
291.19562	4.8
347.22125	0.8
365.32358	0.8
393.16772	1.0
407.18744	3.7
419.14194	0.8
419.19168	1.5
420.20093	0.8
421.20367	6.1
422.21051	1.6
433.15991	1.2
433.20959	1.3
434.17340	2.3
435.18222	2.8
436.22998	1.6
445.16223	1.2
447.17322	1.0
447.22437	1.5
448.19064	2.9
449.19577	10.7
450.20462	2.5
460.18774	1.2
461.19617	1.4
462.20361	1.3
463.21597	7.5
464.22351	6.1
465.22751	1.2
474.20331	1.3
475.21393	2.3
477.18546	5.1
478.19937	3.0
479.20908	1.7
487.21234	0.8
491.20706	2.1
492.21814	0.9
493.22873	0.9
509.25497	1.0
523.23523	2.8
533.22034	1.1
535.23376	2.6
536.24237	1.4
537.22833	1.4
550.25562	1.0
551.26654	3.0
561.25171	4.6
563.23022	0.8
564.23901	4.4
565.24323	2.6
567.25806	0.9
579.26001	9.9
592.22028	1.0
595.25604	3.2
596.26105	1.2
610.27087	1.0
621.27002	6.7
621.41302	1.3
624.25519	5.9
627.39069	0.9
639.28088	100.0
639.42175	8.9
640.28351	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	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28733	0.8
61.58382	1.0
70.18040	2.7
76.08713	1.0
88.30635	0.9
120.08086	1.6
149.72446	1.0
168.47354	1.0
197.10661	1.2
209.10706	2.0
210.11501	1.9
210.53873	1.0
211.12329	1.2
223.12250	2.7
224.12999	2.3
225.10320	1.7
225.13976	1.5
237.10303	1.8
237.13820	1.3
239.15382	2.1
252.12321	1.5
253.13533	1.9
266.14117	1.4
267.14874	2.9
277.13416	1.3
286.13522	1.3
310.47046	0.9
325.11841	1.6
330.12396	1.3
384.17227	1.6
401.17914	1.3
403.14706	1.3
403.19485	2.2
407.03662	1.1
415.15057	1.2
416.20264	1.8
417.20825	3.8
418.21686	1.5
429.17191	3.8
430.17548	1.7
431.17804	4.9
432.23236	1.6
432.82077	1.0
433.16638	1.2
433.23941	5.9
435.17929	2.3
436.09213	1.0
444.19049	5.8
445.19913	5.6
446.21149	1.7
447.18103	2.2
449.19525	3.1
459.21753	36.4
460.22629	6.4
461.23386	4.3
473.23431	2.7
475.21198	2.8
477.19046	2.2
492.21460	2.4
502.19711	1.2
504.21024	1.1
519.23889	6.1
520.20667	2.3
531.23987	1.6
538.21173	2.4
546.26166	1.4
547.27106	20.2
551.26129	3.0
561.24915	3.4
563.26080	2.8
564.23914	1.6
565.24585	1.3
566.24890	1.3
574.25580	2.5
579.25983	9.4
580.26410	1.6
589.24707	1.8
591.26166	2.4
593.24127	2.7
594.26379	1.6
596.25513	4.8
597.27216	1.4
606.28333	100.0
607.25415	18.1
610.26935	1.6
611.28467	11.8
621.26520	6.0
622.27667	6.9
624.24792	2.2
625.27264	1.6
639.27954	45.1
640.28479	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	638.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24313	0.6
55.05517	0.7
67.05500	1.4
69.03448	0.7
69.07067	1.0
71.57179	0.8
79.05480	3.1
80.05007	1.0
81.07063	1.3
90.12902	0.5
91.05485	2.7
93.07035	2.8
94.06561	3.3
95.04975	1.0
95.08604	1.4
98.52721	0.5
103.05440	3.0
105.05756	0.7
105.07008	1.3
107.07302	1.1
107.08606	0.8
108.08126	6.0
108.76775	0.5
110.09659	0.7
117.07030	0.6
118.06545	2.3
119.07314	1.0
120.04474	5.1
120.08102	16.8
120.08931	0.9
122.06028	9.0
122.09694	2.1
125.09640	0.6
132.08121	0.8
133.10123	0.7
134.06042	0.7
136.07597	8.6
138.05571	0.8
138.09138	1.4
144.08090	0.7
145.02882	0.5
146.06035	4.3
148.07573	30.5
150.09145	3.4
152.07083	2.1
155.40024	0.6
160.07619	0.8
162.09143	1.0
164.07108	2.2
164.10736	1.0
166.08699	2.5
172.03979	0.9
176.10750	0.9
178.08540	0.6
180.10216	2.4
182.09752	0.7
184.09904	0.9
188.07022	0.9
190.05037	1.3
192.10201	0.9
194.08153	1.5
196.09940	1.3
197.10703	2.1
199.81541	0.6
204.06558	1.1
206.08145	0.7
208.09738	1.3
209.10789	2.6
210.11430	1.0
211.08713	1.2
211.12276	1.8
212.09488	1.7
213.10240	1.1
219.09457	0.7
220.10178	0.6
221.10789	1.6
222.07889	1.4
222.11497	1.1
223.08620	3.2
223.12245	1.6
224.09438	2.6
224.12997	0.7
225.10194	6.0
226.11021	0.8
227.11617	2.8
233.10684	2.8
235.08691	2.8
235.12260	1.4
236.09341	3.4
237.10233	15.6
238.10916	4.1
239.08197	2.6
239.11794	7.1
240.12497	0.8
241.09785	2.3
247.08760	1.0
248.09358	3.3
249.10233	9.9
250.10976	4.4
251.08157	6.9
251.11801	11.8
252.08691	3.0
252.12601	1.6
253.09700	8.4
253.12473	0.7
253.13284	0.7
254.10536	1.4
255.11284	6.7
258.07785	1.0
260.09476	0.6
261.10211	8.2
262.10922	2.8
263.08344	1.7
263.11844	10.7
264.09366	1.1
264.12323	0.8
265.09714	14.8
265.12878	0.8
266.10330	4.9
267.11264	12.0
268.11926	1.1
269.09323	1.3
269.12854	1.9
271.10727	2.7
275.08167	1.2
276.08835	1.4
277.09778	4.7
277.13416	0.8
278.07663	0.9
278.10495	6.0
279.07745	4.8
279.11343	20.9
279.14340	1.1
280.11914	3.9
281.09280	3.7
281.12546	4.1
282.10083	1.6
283.10788	10.5
283.13852	0.9
285.12552	0.7
289.09705	13.8
290.10382	1.6
291.11227	11.1
292.08640	0.7
292.11972	0.7
293.09283	3.4
293.12921	5.4
294.10037	5.8
294.13266	1.1
295.10782	7.8
295.14099	1.0
296.11575	4.1
297.08710	1.7
297.12347	2.5
298.09845	0.6
299.10309	3.1
305.09439	0.7
305.12952	1.3
305.38803	0.7
306.09921	1.4
307.10797	7.2
308.11545	2.7
309.09018	1.2
309.12256	5.4
310.12943	1.5
311.10312	11.9
311.13962	3.4
312.10977	4.9
313.11960	2.2
314.12747	1.7
315.13461	1.0
316.14435	1.0
316.18396	0.6
317.09195	3.4
321.08682	1.6
321.12451	1.8
323.10297	2.8
323.14017	4.4
324.11093	4.5
325.11819	3.2
326.12607	7.0
326.16339	1.0
327.13388	9.1
328.14587	1.2
329.15112	1.1
330.15945	0.7
333.12415	1.0
335.10257	16.8
335.14215	0.9
336.10889	1.4
337.11829	1.5
338.12463	0.8
339.13379	66.7
340.10498	5.3
340.14069	2.8
341.15106	1.2
342.16064	1.1
343.13083	0.8
349.11871	1.7
351.13434	2.8
352.10547	2.4
354.12085	9.1
354.16122	1.8
355.12848	20.4
356.13828	1.2
358.15475	1.0
367.12885	49.2
368.13626	2.5
370.15558	1.2
372.17157	1.0
373.13693	0.8
381.14917	1.3
383.16409	1.2
386.14838	1.0
395.12433	1.0
399.15811	1.3
400.16425	1.3
414.18170	2.0
418.17606	1.4
442.17545	2.1
446.17081	0.9
458.20685	1.3
460.18253	0.8
462.20779	0.7
470.17194	6.1
474.20279	4.0
486.20255	5.5
488.18182	1.7
492.21078	1.1
502.19788	7.5
512.18372	2.3
520.20721	6.5
521.21661	0.9
530.19281	15.0
531.20416	1.3
534.22363	6.8
546.18964	1.7
547.19568	0.9
548.19702	0.6
562.21851	48.5
563.22571	2.8
574.18188	17.7
575.18365	1.3
578.21655	4.7
588.19971	1.3
606.20819	100.0
607.20905	7.5
624.22449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23553	0.8
58.56507	0.9
60.25378	0.9
67.05503	1.1
69.03436	1.0
69.45632	7.4
71.63467	0.8
74.18526	0.9
79.05473	3.3
80.05005	1.6
81.07034	1.1
85.02880	2.0
86.09696	1.1
91.05473	2.9
93.07044	3.5
94.06590	4.5
95.04981	1.2
95.08587	1.1
96.08105	0.9
96.53347	0.8
100.11243	1.0
103.05466	2.7
105.06997	1.1
108.08106	6.1
117.09061	0.8
118.06501	1.4
120.04491	5.8
120.08095	21.8
122.06029	10.6
122.09650	2.4
124.07620	1.8
127.10784	0.9
133.10150	1.0
136.07576	9.5
137.05942	1.5
138.05464	1.2
138.09146	1.4
142.08473	0.8
146.06015	3.3
148.06371	1.6
148.07565	30.7
150.09172	3.1
152.07045	2.1
160.07678	1.7
162.09103	0.9
164.07082	3.2
164.10733	1.0
164.65135	0.8
166.08630	3.5
172.03908	0.9
176.10640	1.3
177.05411	1.1
180.10223	3.1
186.09175	0.9
188.06912	0.7
189.74240	0.8
189.91103	0.8
190.05020	1.4
194.08128	1.1
197.04070	0.7
197.10757	2.9
204.06555	1.3
208.09767	2.4
209.10800	1.7
210.11397	0.9
211.08730	1.0
211.12294	1.9
212.09447	2.8
213.10260	1.2
220.09967	1.0
221.10692	2.0
223.08640	3.0
223.12320	1.9
224.09451	2.4
225.10242	6.8
226.10870	1.0
227.11780	3.3
233.10713	1.5
235.08688	3.9
235.12222	1.4
236.09401	2.2
237.07779	0.9
237.10228	16.9
238.10995	3.3
239.08081	2.0
239.11758	7.8
241.09651	2.0
247.08812	1.2
248.09489	2.4
249.10219	12.6
250.10983	4.3
251.08081	5.9
251.11798	13.7
251.14380	1.2
252.08888	3.8
252.12590	2.7
253.09758	9.0
253.13344	1.5
254.10454	0.9
255.11287	5.9
258.07565	0.9
261.10257	7.2
262.10925	2.8
263.08786	1.4
263.11765	13.5
264.08911	1.8
264.12405	0.9
265.09705	17.9
266.10504	4.4
267.11301	11.3
269.09512	1.4
269.12848	2.8
271.10782	2.5
276.08887	0.9
277.09714	4.2
278.07098	1.2
278.10510	8.1
279.07727	5.3
279.11298	22.4
280.08389	1.2
280.12036	4.2
281.09186	5.2
281.12820	4.0
282.09885	1.0
283.10776	12.3
283.13705	1.6
284.11334	1.3
287.05286	0.8
289.09705	17.5
290.10303	1.4
291.11212	9.9
292.11966	1.7
293.09189	3.5
293.12845	7.2
294.09985	7.3
294.13303	1.6
295.10760	8.1
296.11603	3.8
297.08847	1.2
297.12363	2.6
299.10223	3.0
305.09137	1.2
306.09933	1.3
307.10745	6.6
308.11566	2.1
309.12344	5.3
310.12921	1.0
311.10223	15.3
311.13858	3.6
312.11063	4.5
313.11789	1.9
313.71823	0.8
314.12634	2.5
315.13168	0.9
316.14270	1.4
317.09293	2.8
321.08612	1.1
321.12183	1.7
323.10370	1.9
323.13858	3.6
324.11093	3.0
325.11850	4.6
326.12723	5.6
327.13373	10.7
328.14557	1.2
333.12094	0.9
335.10233	22.8
336.10562	1.4
337.11880	2.1
339.09940	2.7
339.13367	71.3
340.10486	6.3
340.14053	2.2
344.17578	1.2
349.11923	2.4
351.13403	2.8
352.10715	1.9
353.11108	1.2
354.12057	9.1
354.15881	1.6
355.12866	21.9
355.16669	1.0
356.13434	1.0
358.15405	1.7
367.12866	53.6
368.13312	1.7
381.14417	1.0
382.15515	1.4
399.15659	2.0
400.16635	1.6
414.18240	1.6
418.17816	1.3
432.18884	1.2
441.17270	0.9
442.17654	2.3
470.17056	6.7
474.20285	3.2
486.20364	5.0
488.18103	1.2
502.19739	6.9
512.17981	2.2
520.20807	7.0
521.21552	1.6
530.19220	15.7
534.22443	7.2
535.02948	1.0
562.21814	59.4
563.21771	1.2
574.09698	1.4
574.18176	16.6
578.21332	5.3
588.19672	2.4
606.20782	100.0
607.20709	2.9
638.24005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.3
67.05489	2.5
69.03415	0.9
69.07052	1.2
70.06577	1.9
71.04996	0.9
71.57356	1.2
81.07036	1.6
84.04463	0.9
85.02901	3.1
86.09689	1.4
89.03908	6.8
91.05453	1.5
93.07058	0.9
95.04948	1.1
95.08562	0.8
97.02866	1.3
97.66112	0.7
98.38918	0.8
100.11214	0.8
105.07053	1.4
107.08543	1.4
109.10112	1.0
117.03371	22.4
119.04937	0.9
119.08594	1.0
119.66625	0.8
120.87234	0.9
131.08549	0.8
133.10060	1.4
134.03618	1.6
135.04428	2.3
137.05922	1.5
145.02834	54.8
146.03220	1.1
147.04401	1.3
149.05949	7.6
163.03830	1.1
173.64275	0.8
177.05458	100.0
178.05789	1.4
186.05513	1.6
207.06493	1.1
251.09172	1.3
260.06760	1.3
271.06015	2.3
308.08963	1.1
314.04254	1.1
315.04495	1.9
329.06522	2.5
330.06873	2.8
353.08569	10.6
427.12366	3.2
481.89865	0.9
606.19263	0.9
638.35144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35063	0.8
67.05503	1.9
67.07371	1.1
70.96835	1.6
79.05474	3.4
80.05012	1.4
81.07040	1.3
91.05473	2.6
91.29308	0.8
93.07027	3.3
94.06555	3.0
95.04940	1.2
95.08578	2.1
97.21498	0.9
99.99659	0.9
103.05453	2.6
108.08123	4.3
109.10227	1.3
118.06506	1.2
120.04438	3.8
120.08095	16.7
122.06026	8.4
122.09658	1.6
134.06015	1.3
136.07578	7.4
138.05455	1.5
138.09126	1.5
139.94484	1.0
146.05998	3.5
148.07568	25.7
150.09106	3.2
152.07060	2.2
162.05475	1.0
162.95462	0.9
164.07053	1.6
166.08607	2.6
170.31258	1.0
172.03874	1.1
180.10175	2.5
184.09834	0.9
190.04984	1.7
190.73814	0.9
194.08087	1.1
196.10014	1.8
197.10779	2.0
208.09685	1.4
209.10707	2.6
211.08618	1.1
211.12355	1.6
212.09393	2.3
221.10629	1.5
222.07631	1.1
223.08670	2.2
223.12256	2.8
224.09380	3.1
225.10182	5.7
226.10841	0.9
227.11737	2.2
233.10690	1.9
235.08426	4.4
235.12238	1.3
236.09384	2.7
237.10185	13.3
238.10944	3.5
239.08075	2.4
239.11757	7.5
241.09743	1.6
244.04607	1.0
248.09424	2.7
249.10255	11.2
250.11040	5.0
251.08243	4.6
251.11821	11.2
252.08755	2.3
252.12544	2.0
253.09702	8.9
253.13205	1.6
255.11259	7.4
261.10226	5.8
262.11041	2.1
263.08044	2.0
263.11795	11.8
264.08835	2.1
264.12607	1.0
265.09705	14.8
265.12836	1.2
266.10434	3.6
267.11276	11.5
269.09402	1.0
271.10666	2.9
276.08847	1.7
277.09750	5.3
278.10440	6.4
279.07715	3.7
279.11261	20.1
280.11911	3.5
281.09198	4.2
281.12738	3.2
283.10751	10.1
284.11353	1.3
285.12369	1.3
289.09674	14.7
290.10422	2.2
291.08261	1.5
291.11188	8.3
293.09128	3.2
293.12814	6.2
294.10068	5.8
294.12970	1.0
295.10855	7.4
295.13995	1.7
296.11514	4.2
297.08847	2.0
297.12283	2.9
299.10297	2.6
305.08896	1.2
306.09824	1.7
307.07455	1.3
307.10690	5.9
308.11575	2.7
309.12387	4.4
310.13007	1.1
311.10208	11.8
311.13879	3.9
312.11002	5.4
313.11777	1.5
317.09323	2.2
321.08826	1.3
321.12247	1.7
323.10434	2.2
323.13785	2.6
324.10922	3.7
325.11816	3.2
326.12558	8.2
327.13367	9.0
333.12088	1.1
335.10257	19.0
339.10129	2.8
339.13373	66.9
340.10413	5.4
340.14151	2.6
349.11792	2.6
351.13412	2.1
352.10522	2.8
354.12103	9.8
354.16110	1.5
355.12808	20.6
356.13330	1.3
366.12457	1.6
367.12863	49.5
368.13483	2.3
386.14825	1.0
388.16827	1.4
395.12201	1.5
414.17920	2.0
418.17450	2.3
442.17383	3.3
458.21024	1.5
460.18686	1.1
470.17194	5.7
474.20578	2.1
486.20148	4.8
488.17990	2.0
502.19666	6.5
512.17975	1.5
520.20880	7.4
521.21118	1.3
530.19214	14.6
534.22388	6.5
562.21777	52.6
563.22241	1.6
574.18231	15.1
578.21161	5.3
584.14856	1.0
588.19397	1.7
606.20789	100.0
607.20972	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	638.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.3
67.05489	2.5
69.03415	0.9
69.07052	1.2
70.06577	1.9
71.04996	0.9
71.57356	1.2
81.07036	1.6
84.04463	0.9
85.02901	3.1
86.09689	1.4
89.03908	6.8
91.05453	1.5
93.07058	0.9
95.04948	1.1
95.08562	0.8
97.02866	1.3
97.66112	0.7
98.38918	0.8
100.11214	0.8
105.07053	1.4
107.08543	1.4
109.10112	1.0
117.03371	22.4
119.04937	0.9
119.08594	1.0
119.66625	0.8
120.87234	0.9
131.08549	0.8
133.10060	1.4
134.03618	1.6
135.04428	2.3
137.05922	1.5
145.02834	54.8
146.03220	1.1
147.04401	1.3
149.05949	7.6
163.03830	1.1
173.64275	0.8
177.05458	100.0
178.05789	1.4
186.05513	1.6
207.06493	1.1
251.09172	1.3
260.06760	1.3
271.06015	2.3
308.08963	1.1
314.04254	1.1
315.04495	1.9
329.06522	2.5
330.06873	2.8
353.08569	10.6
427.12366	3.2
481.89865	0.9
606.19263	0.9
638.35144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91270	1.2
52.76253	1.0
67.05494	1.1
69.94579	5.7
81.07040	1.6
88.15685	0.9
95.08633	1.4
209.10602	1.0
229.48471	1.1
345.36005	1.1
377.17664	2.0
378.18295	1.9
389.18301	1.2
391.18893	1.7
392.19983	1.3
393.20749	1.6
398.15887	1.2
399.16034	2.3
400.16806	2.9
401.17450	4.3
402.18509	1.4
407.22092	3.1
413.17737	2.8
414.18521	4.8
415.19424	6.6
417.20828	1.5
421.20007	1.7
428.19830	3.7
429.21277	7.7
430.21259	3.0
439.18924	1.9
441.17236	1.3
442.17749	1.7
443.17358	1.5
443.22321	4.8
443.27777	1.0
444.19321	3.8
445.20175	1.7
456.19379	1.1
457.20404	5.7
458.20914	3.9
471.22147	7.0
472.23257	5.5
473.19757	3.4
474.20145	1.4
484.19141	1.6
485.19601	2.7
486.20135	5.3
487.21252	2.0
489.23596	1.4
490.20041	3.2
499.21423	8.5
500.21597	2.3
503.24106	3.0
513.19336	1.4
517.21857	2.7
527.20648	3.2
528.21533	1.6
529.22369	1.3
531.24023	8.9
543.23975	1.5
544.20441	1.1
559.23395	100.0
560.23645	3.2
587.22784	16.4
605.24042	1.3
619.25464	82.3
620.25409	3.0
637.26410	7.3
637.41016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01854	2.5
55.05506	5.5
57.03156	1.1
57.03433	18.5
57.07077	27.5
61.02925	54.9
67.05502	10.1
69.03427	23.7
69.07060	5.9
70.24081	0.8
71.01334	1.7
71.04987	2.5
71.08234	1.1
71.08627	22.0
71.57476	1.6
73.02917	19.4
75.04477	2.1
79.05472	2.9
81.03416	15.8
81.07052	12.2
83.04959	2.9
83.08623	8.8
85.02902	68.1
85.10178	11.3
87.04464	3.2
89.06026	0.9
91.03950	34.8
91.04521	2.1
91.05468	2.4
93.07008	1.2
95.04991	1.7
95.08601	16.9
97.02888	57.3
97.10172	5.3
99.04458	8.6
101.02377	6.4
103.03940	8.2
105.06973	1.6
107.04889	0.9
107.08607	1.0
109.02876	12.2
109.06538	1.3
109.10152	8.2
111.04439	0.9
111.11700	1.0
115.03918	5.3
117.05428	1.5
119.08527	1.2
121.06539	0.9
121.10123	1.2
123.08012	1.1
123.11671	4.1
127.03910	26.3
129.05469	4.5
131.08521	1.6
133.10075	1.2
137.05940	1.3
137.13257	1.8
145.04964	13.4
145.10098	1.1
151.14851	0.9
153.22194	0.9
155.07019	1.6
159.06509	2.8
163.05937	2.4
171.06419	1.8
183.06508	12.8
201.07556	6.6
218.30553	0.9
219.08575	1.3
221.22726	1.7
239.23662	21.0
257.24777	3.1
263.36087	0.9
271.17062	0.9
298.27347	0.8
311.25928	1.5
313.27353	100.0
314.27554	1.2
323.51691	0.8
327.19482	1.0
341.26843	4.1
355.28470	4.7
383.27728	1.2
385.29434	1.5
397.29294	0.8
421.28937	1.1
439.30533	2.6
450.27698	1.0
457.31610	10.9
475.32382	1.9
494.15732	1.0
530.17676	1.0
532.92188	0.9
637.39917	1.5
645.75934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
61.51178	0.4
65.03932	0.8
69.03432	0.5
69.81273	2.1
70.06606	1.8
79.05480	0.5
81.03448	0.4
84.08135	0.3
85.02898	1.2
91.05463	0.9
94.04177	1.9
95.04993	0.6
97.02873	0.4
97.06528	0.4
103.05482	0.4
107.04933	0.8
110.03629	0.4
111.04447	0.4
115.05463	1.2
117.07019	1.5
122.03650	5.4
122.07289	0.4
122.91927	0.4
127.03961	0.5
127.85462	0.4
131.04935	0.5
137.05974	100.0
138.06323	1.2
141.01945	0.5
143.04938	3.2
145.06459	1.9
147.07956	0.5
151.03854	2.2
155.06024	0.5
161.06075	0.5
167.07047	9.5
171.06548	1.3
173.05997	3.4
175.07558	1.3
181.04962	15.5
203.07010	1.1
205.08582	2.2
223.06100	0.5
233.08047	1.9
235.07484	0.4
235.09689	1.5
304.20151	0.5
351.12100	0.5
354.45740	0.4
357.13315	7.7
369.13278	0.7
387.14374	64.7
388.14789	1.1
635.31824	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	635.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01869	1.2
55.05511	0.7
57.03427	2.8
61.02921	0.6
65.03928	0.7
66.04687	0.8
66.59393	0.6
69.03426	8.8
69.86589	3.4
70.06628	0.5
71.04974	1.5
73.02894	0.9
79.05475	2.3
81.03405	2.2
81.07025	0.8
83.04960	0.9
84.08148	0.6
85.02891	9.8
87.04470	4.4
91.05469	3.8
93.07033	0.6
94.04182	2.1
95.04958	1.2
97.02886	6.4
99.04440	0.6
103.05445	1.2
103.29637	0.6
105.01863	0.7
105.07008	5.9
107.04939	1.4
107.08581	0.5
109.02879	1.1
109.06499	3.3
115.03928	4.1
115.05424	3.5
117.06999	1.3
119.04955	1.0
119.08585	1.9
120.08140	0.7
121.06525	1.3
122.03653	6.1
122.09645	0.6
127.03910	2.5
128.06224	1.7
129.06995	1.2
131.04922	0.9
131.88588	0.6
132.05688	2.0
133.04994	2.9
133.06506	4.5
133.10150	0.6
136.07590	0.7
137.05972	100.0
138.06383	0.8
140.43712	0.5
140.72778	0.6
141.07059	0.9
143.04893	1.2
144.05751	0.8
145.04907	0.9
145.06503	1.5
147.04399	2.3
147.08073	2.5
149.05972	2.0
151.07523	2.3
156.05701	1.2
158.08197	0.7
159.02904	0.6
159.08064	3.0
160.05174	1.5
161.05977	11.9
161.07254	0.9
163.07542	0.8
163.11174	2.2
165.05348	0.6
167.07028	1.5
169.04868	0.6
171.08052	1.2
172.05217	1.1
175.07547	25.0
179.07074	1.3
187.07544	8.4
189.06996	0.7
189.09119	0.7
189.12741	2.0
190.07791	1.8
191.08533	5.3
199.07526	9.2
202.07771	2.5
203.08594	4.9
203.10255	1.1
207.08032	0.9
207.13716	0.8
217.08638	0.9
218.07214	1.0
219.08055	11.1
220.08803	2.4
231.08066	6.2
232.08870	1.8
235.07495	1.2
236.08340	1.4
247.07588	4.7
248.08324	2.5
249.09023	1.0
251.10652	11.6
259.07513	4.1
260.08209	1.3
261.09052	0.9
263.10663	3.8
264.07877	0.9
265.08615	1.1
275.07050	0.7
276.07816	1.8
277.08505	2.8
279.10144	9.6
280.10696	1.3
281.08020	0.9
288.82391	0.6
291.10110	8.7
292.10846	3.2
293.08188	0.6
295.13251	1.7
296.10370	1.0
308.10599	1.1
311.12772	21.6
323.12778	11.0
341.13876	1.0
357.13547	0.6
387.14230	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	635.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
56.96562	0.6
61.93935	0.4
63.21931	0.4
65.03925	1.0
67.05494	1.1
69.03406	1.5
69.93099	2.7
70.06582	0.9
71.04931	0.4
72.05640	0.4
79.05478	2.1
81.03416	1.3
81.07053	1.8
84.44127	0.4
85.02892	2.0
91.05456	2.1
93.07022	1.0
94.04189	2.2
94.35700	0.4
95.04979	1.1
95.08599	1.0
96.89240	0.4
97.02904	0.5
97.06506	0.7
102.17088	0.4
103.05452	0.7
105.07035	1.5
107.04940	1.3
107.08578	0.7
109.02876	0.8
109.06524	0.7
111.04463	0.4
115.05449	1.8
117.07017	1.2
119.04914	0.5
119.08600	0.7
120.08072	0.5
121.10115	0.5
122.03635	6.6
127.03917	1.1
131.08531	0.6
137.05969	100.0
138.06291	0.8
143.04900	3.1
145.06487	2.6
145.10112	0.8
147.04356	0.5
147.11661	0.5
149.01256	0.5
151.03874	2.4
161.05901	0.5
165.09116	0.4
167.07024	11.0
171.06520	1.3
173.06006	2.8
175.07507	1.1
177.05457	1.3
181.04947	16.6
187.07651	0.6
203.07034	1.2
205.06805	0.5
205.08624	1.6
233.08124	2.0
235.09686	1.3
301.07071	2.5
337.10779	0.5
349.52316	0.5
357.13315	7.3
369.13025	1.0
387.14359	62.0
388.14804	1.8
503.17957	0.8
634.35260	0.5
635.34570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3989
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
50.48123	0.4
51.65798	0.3
53.03942	0.8
55.01858	0.8
55.05505	6.1
57.03422	2.2
57.07072	2.6
65.03939	1.1
67.05499	10.1
68.99780	0.4
69.03419	1.6
69.07060	10.8
69.37253	0.4
69.48032	0.4
71.01350	2.4
71.04995	0.4
71.57720	0.6
73.02906	4.7
75.04460	0.6
79.05481	8.1
81.03431	0.7
81.07047	20.1
83.05002	0.5
83.08616	6.0
85.02896	16.2
91.05466	7.4
93.07033	20.9
95.01320	3.7
95.04951	1.7
95.08597	48.7
96.08942	0.4
97.02870	1.3
97.06508	1.5
97.10159	3.9
98.03198	0.4
99.00790	1.2
99.04401	0.5
99.08064	0.6
101.02389	0.9
103.03934	0.6
103.05482	0.6
105.06305	0.6
105.07019	14.6
107.08585	33.9
108.08945	0.4
109.06532	1.0
109.10147	29.2
111.08076	1.1
111.11700	0.6
113.02356	5.2
117.07026	1.3
119.04881	0.6
119.08571	30.9
121.10130	34.3
123.08072	0.8
123.11691	11.1
125.09646	1.0
127.03853	0.5
129.07013	0.8
131.03392	5.1
131.08559	3.2
133.10118	25.3
134.10460	0.5
135.08063	0.7
135.11674	28.5
136.12019	0.5
137.06044	0.5
137.09610	0.6
137.13263	3.7
138.64737	0.4
139.07518	0.9
139.11157	0.6
141.01802	6.1
143.08466	0.6
145.10100	5.8
146.10992	0.6
147.04381	0.8
147.11667	20.5
149.09627	0.7
149.13243	13.1
151.07503	1.0
151.11137	0.6
151.14757	0.7
153.01826	1.2
153.09077	3.9
157.10094	1.2
159.02872	2.5
159.11679	6.2
160.12453	0.5
161.09618	0.5
161.13237	10.9
163.11226	0.8
163.14803	16.2
165.09085	0.8
165.12743	0.6
167.08588	0.5
167.10692	2.2
171.11671	1.0
173.13232	3.6
175.11310	0.6
175.14795	10.0
177.12749	0.4
177.16371	9.6
179.10681	1.4
181.12157	0.5
185.13301	0.7
187.14825	7.1
189.16364	36.2
190.16687	0.5
191.17929	100.0
192.18285	1.9
193.12257	1.0
193.15843	0.9
199.14702	0.5
201.16368	9.8
203.17935	60.5
204.18312	1.0
205.19493	11.7
207.13742	1.1
207.17435	2.2
213.16458	0.9
215.17902	4.5
217.16037	0.7
217.19505	10.5
219.21013	0.7
221.15367	1.2
221.18941	2.5
223.16968	1.0
227.17810	0.8
229.19495	3.8
231.17368	1.6
231.21030	5.5
233.15451	0.5
235.16866	8.6
243.20998	0.8
245.22662	1.6
247.16876	4.3
249.18477	15.4
255.20982	0.4
257.22525	1.8
259.24106	0.5
261.18463	1.2
263.19858	0.6
269.22501	0.7
271.24197	1.7
275.19998	1.5
277.21494	0.5
297.25644	0.6
315.23373	0.6
325.53418	0.4
343.26227	1.1
385.12689	0.6
386.13870	0.4
393.35110	6.9
411.36185	8.2
421.34335	0.9
439.35660	26.5
440.36063	0.8
515.13556	0.4
546.63580	0.5
633.40137	8.4
638.20209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93032	0.5
53.03927	0.8
55.01860	0.7
55.05266	0.5
55.05506	6.7
57.03430	2.4
57.07061	2.4
65.03928	1.2
66.81591	0.4
67.05499	10.9
69.03413	2.1
69.07063	10.8
69.51163	2.3
69.51591	1.6
71.01347	2.8
71.04956	0.5
71.08616	0.8
73.02908	3.9
74.01405	0.4
79.05489	7.1
81.03406	0.9
81.07053	18.7
83.04964	0.5
83.08614	4.7
85.02901	17.5
91.05469	8.9
93.07042	21.4
95.01320	3.8
95.04967	2.8
95.08601	49.1
97.02876	1.5
97.06518	1.7
97.10150	4.2
99.00808	1.9
99.04379	0.5
99.08105	0.5
101.02367	1.3
103.03920	1.3
103.05441	0.9
105.06287	0.7
105.07021	16.3
107.08587	34.0
109.02878	0.8
109.06510	1.8
109.10150	30.5
111.08024	1.2
111.11722	1.4
113.02358	5.4
113.09634	0.5
117.06995	1.7
119.08572	29.5
121.06433	0.9
121.10136	33.0
123.08042	0.8
123.11691	11.0
125.05972	0.5
125.09598	1.4
127.03904	0.7
131.03413	5.6
131.08560	3.4
133.10121	25.3
135.08066	1.0
135.11688	31.4
137.05946	0.7
137.09608	0.8
137.13248	4.6
139.07558	0.9
139.11119	0.7
141.01820	5.4
143.08551	0.9
145.06438	0.7
145.10124	5.4
147.04329	0.7
147.11678	21.1
149.09598	0.7
149.13246	13.8
151.07484	0.7
153.01819	1.2
153.09109	3.8
153.12715	0.9
157.10088	0.9
159.02905	2.7
159.08031	0.6
159.11676	4.5
160.12326	0.6
161.13252	13.1
163.11171	1.0
163.13406	0.9
163.14806	17.3
165.12697	0.8
167.10638	2.1
171.02939	0.7
171.11642	0.8
173.13274	3.6
175.11205	1.1
175.14822	10.6
177.16371	9.4
179.10625	0.9
185.13272	0.5
187.14807	6.3
189.16371	37.8
191.17934	100.0
192.18303	1.9
193.12276	0.9
199.14839	0.8
201.14581	0.9
201.16368	11.5
203.17946	58.0
204.18272	1.5
205.12248	0.6
205.15599	0.5
205.19496	13.8
207.13788	0.9
207.17474	2.3
209.15309	0.6
213.16258	1.2
215.17937	5.3
217.16080	1.1
217.19499	10.6
219.21112	1.0
221.15436	1.6
221.18953	2.6
229.19489	3.3
231.17383	1.9
231.21057	5.7
235.16898	8.2
243.21019	1.2
245.22676	1.2
247.16895	5.5
249.18483	17.0
255.21063	1.0
257.22632	1.3
261.18533	1.5
263.20154	0.8
269.22699	0.5
271.24362	0.7
275.20062	1.8
277.21738	0.8
283.24008	0.9
301.21606	0.6
311.14841	0.6
315.23163	0.7
329.24677	1.2
343.26318	0.9
355.13074	0.8
369.27957	0.7
393.35190	8.0
411.36197	9.0
421.34695	0.9
429.93225	0.5
439.35693	26.5
440.35858	0.9
633.40210	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	633.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
56.96561	26.7
61.16327	2.2
67.05492	6.0
68.66248	2.1
69.03448	2.4
70.06590	2.2
70.33188	1.9
70.89002	3.6
70.89359	3.5
79.05486	5.1
81.03419	4.9
81.07041	7.3
83.04984	2.2
84.96039	3.8
85.02896	5.7
91.05485	8.3
93.07037	7.5
95.04941	3.6
95.08579	5.2
97.06545	3.6
98.97565	17.3
105.07011	5.2
107.08594	6.0
107.13723	2.0
109.06535	2.1
109.10172	3.6
110.97603	5.4
115.00694	3.0
116.98631	21.6
119.08587	4.1
121.06527	2.8
121.10159	6.6
123.11639	2.4
128.98582	13.2
133.01738	4.6
133.10149	5.1
134.99651	17.6
135.11659	2.5
145.01732	2.9
146.99628	12.9
147.03337	2.7
147.04459	5.4
149.13283	4.3
153.00725	3.8
158.99654	5.7
163.11154	3.0
164.04877	2.0
170.01236	2.3
176.31230	2.2
177.00716	17.6
187.06346	3.2
192.46213	2.7
195.01781	4.2
200.02457	2.9
219.01816	4.1
231.12865	2.7
237.02841	3.7
241.13226	2.5
253.14798	17.7
255.12785	6.8
265.14380	2.3
271.15817	25.3
273.13766	6.4
279.03934	5.3
289.16891	2.6
296.15576	2.0
301.17249	2.8
311.18997	5.4
321.20956	15.8
323.19012	3.3
325.66751	2.1
337.24231	9.0
339.22092	20.5
341.20029	4.1
349.24060	4.8
351.21967	3.7
355.25223	2.7
357.23059	3.5
367.25446	13.9
379.25412	6.8
385.26248	14.9
396.46155	2.4
403.27231	7.2
409.26303	9.9
421.26370	8.4
427.27347	5.0
439.27325	20.4
499.29440	50.6
529.30408	46.4
530.30811	2.9
547.31470	16.8
559.31598	17.5
589.33289	17.8
590.33331	2.6
615.31250	5.2
633.32605	100.0
634.33081	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	631.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.2
54.20458	3.0
54.35103	2.9
55.05501	14.2
57.03413	3.5
57.07058	4.8
64.00296	2.8
65.08711	3.0
67.05502	28.3
69.03423	7.3
69.07047	13.1
70.09065	3.2
71.58029	5.5
72.48790	3.4
73.02898	6.7
79.05496	25.7
80.63669	3.5
81.03459	4.4
81.07052	51.0
83.08617	9.8
85.02877	11.3
91.05463	30.1
93.07042	48.3
95.01308	12.6
95.04953	7.4
95.08600	86.0
97.02879	25.7
97.06524	5.7
105.07024	57.5
107.08580	100.0
108.13826	3.1
109.06519	5.9
109.10147	79.3
111.08054	13.4
115.03964	4.0
117.06994	10.0
119.08571	84.8
121.10137	50.2
123.11721	15.0
125.02344	12.5
125.09551	4.0
129.06935	3.7
131.08591	28.9
133.10120	80.8
135.11684	22.9
137.13234	3.5
141.01781	21.7
143.08559	11.2
145.10117	41.4
147.11673	45.4
149.13274	26.1
151.07545	4.6
155.08614	3.4
157.10135	13.5
159.02975	3.8
159.11687	32.7
161.04439	3.7
161.09689	4.3
161.13242	31.4
163.14798	18.5
171.11691	12.3
173.13219	37.9
175.14833	36.1
177.16400	26.0
183.11595	5.9
185.13258	10.8
187.14842	40.9
189.03986	6.6
189.16368	72.7
191.17941	10.6
193.15947	3.1
197.13213	6.0
199.14719	15.4
201.16360	64.7
203.17946	63.7
205.15889	4.6
207.17368	5.3
209.13130	4.4
211.14902	6.3
213.16397	18.5
215.17975	22.0
217.15804	3.5
217.19511	7.4
219.17397	4.8
227.18027	5.4
229.19489	6.5
231.17468	4.3
233.15393	6.2
235.16965	7.4
247.16913	5.6
248.09795	3.7
249.18491	6.2
255.21089	4.4
257.19385	3.7
259.16794	7.1
269.22781	5.0
281.22528	5.1
283.24319	4.2
343.26212	5.2
345.14218	10.0
365.19604	6.7
379.21829	3.3
389.32010	6.9
391.33536	11.7
407.32919	9.9
409.34470	8.7
425.33917	3.9
435.32611	24.4
437.34277	44.2
438.34698	3.6
453.33813	3.7
549.34827	4.6
567.36676	11.9
585.36743	6.8
613.37170	5.8
631.39423	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	631.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01863	3.1
55.05510	20.7
57.03447	2.4
57.07059	3.1
67.05495	25.3
68.96081	2.7
69.03415	5.1
69.07066	21.7
69.64087	4.5
69.64491	13.1
75.32856	2.5
79.05486	17.9
79.25419	2.2
81.03413	5.0
81.07055	48.6
83.08618	11.3
85.02914	11.9
91.05470	27.9
91.81300	2.3
93.06485	2.8
93.07048	44.5
95.01299	3.4
95.04992	4.2
95.08603	86.9
97.02886	19.2
97.06528	6.1
97.10146	3.1
98.20755	4.3
103.05478	2.5
105.07026	59.3
107.07866	4.6
107.08589	75.1
109.06496	3.2
109.10160	62.8
111.08070	9.7
113.02423	2.5
115.03929	6.8
115.05415	2.5
117.07011	10.4
119.08576	100.0
120.92402	2.3
121.10136	49.6
123.04426	2.8
123.08045	4.3
123.11713	12.8
125.02332	12.6
125.09639	4.3
125.56673	2.4
128.06311	3.5
129.06972	6.1
131.03424	4.8
131.08554	27.1
133.10124	81.6
135.11684	26.2
136.06165	4.5
137.13252	8.0
141.01816	8.2
141.31342	2.7
143.08556	7.3
144.09343	5.2
145.10109	56.6
147.11679	50.3
147.12801	3.8
149.13261	33.8
151.07443	2.5
153.09096	4.6
157.10150	14.8
158.10889	4.5
159.11699	53.7
161.04454	3.1
161.13255	44.6
163.14822	24.4
165.09128	2.8
169.10106	7.4
170.10834	3.5
171.11661	9.6
173.13234	28.0
175.14815	33.3
177.16339	25.4
183.11714	4.1
185.13246	8.7
186.14017	2.5
187.14799	49.8
189.03909	5.9
189.16380	84.5
191.14325	5.5
191.17941	29.9
195.11690	2.9
197.13275	7.9
199.14792	15.7
201.16383	81.3
203.14391	3.2
203.17950	75.6
205.15886	7.4
207.13910	3.4
207.17508	7.1
211.14818	3.4
213.16336	19.8
215.14305	2.4
215.17912	27.2
217.15874	4.6
217.19467	6.7
219.17477	4.9
221.15451	4.3
225.16301	4.8
227.17892	11.2
229.19466	11.9
231.17465	4.8
235.16866	6.8
239.18066	3.3
241.19534	7.0
243.20964	4.7
247.16930	13.9
249.18512	8.3
250.52716	2.6
253.19521	4.6
255.21027	4.1
261.18454	7.6
269.22641	3.1
275.20020	5.8
281.22531	5.0
283.24210	4.0
287.20148	4.1
301.21649	2.8
327.23206	6.5
329.24896	3.9
343.26291	4.8
349.28836	2.8
350.08884	2.8
389.32111	9.5
391.33606	15.1
407.33078	9.5
409.34613	9.9
435.32477	25.1
437.28119	3.2
437.34149	45.1
450.61798	2.4
453.33350	3.4
455.35208	5.6
567.36847	12.8
585.37427	5.4
595.36224	4.1
613.36981	5.9
631.38403	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	631.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78447	2.2
53.03938	3.2
55.01859	4.1
55.05511	10.3
57.03432	3.6
57.07062	7.6
67.05505	23.1
67.93928	2.0
69.03416	7.2
69.07074	18.3
71.01363	2.8
71.49266	2.9
71.49605	3.8
73.02902	3.9
73.94300	2.3
79.05492	19.6
81.03432	3.7
81.07055	50.0
83.08630	11.1
85.02894	10.0
91.05479	21.8
93.07043	48.9
95.01310	3.9
95.04970	6.7
95.08605	79.5
97.02877	17.9
97.06522	3.9
97.10165	6.9
105.07025	60.6
105.07689	4.7
107.08588	69.3
109.10149	68.1
111.08080	11.4
113.10894	2.4
115.03924	5.6
117.07037	9.8
119.08580	93.6
121.10139	47.9
123.04474	2.4
123.08117	3.2
123.11696	10.7
125.02317	13.0
125.09626	2.4
129.07024	4.2
131.03419	2.6
131.08553	27.0
133.10130	76.1
135.11703	20.1
137.09676	2.2
137.13177	3.0
137.89345	2.4
141.01837	8.8
143.08565	9.6
144.09360	3.1
145.10123	45.2
147.11687	44.7
149.13258	35.0
153.09123	4.8
156.09398	2.9
157.10121	13.5
158.10942	2.4
159.11687	41.1
161.04384	2.4
161.09648	3.3
161.13242	42.0
163.14803	26.2
167.10696	2.3
169.10077	3.1
170.10948	2.4
171.11726	13.4
173.13269	31.4
175.14822	29.1
177.16393	25.7
178.19804	2.4
179.10750	3.1
183.11679	4.8
185.13231	9.4
187.14830	34.7
189.03925	6.5
189.16380	100.0
191.14288	3.7
191.17969	18.6
197.13333	4.2
199.14824	13.8
201.16368	87.4
201.18274	4.4
203.17949	78.2
203.19754	4.8
205.15840	5.2
207.17474	8.8
211.14810	5.1
213.16371	18.1
215.17981	28.1
217.07140	3.4
217.15848	5.5
217.19482	7.1
219.17285	5.3
221.15347	3.5
221.18932	4.0
225.16400	3.3
227.17950	10.0
229.16010	2.8
229.19501	9.8
231.17444	3.9
235.16920	5.8
241.19470	8.1
243.21191	6.9
247.17021	11.4
249.18494	8.9
253.19560	4.9
255.21075	3.7
259.17145	2.9
261.18515	5.6
267.21173	4.2
269.22595	4.6
273.18515	2.8
281.22534	5.5
283.24103	9.5
287.20245	3.0
295.24295	2.8
327.23218	3.4
329.24619	6.0
341.24774	2.8
343.26450	3.2
351.30328	2.8
365.19669	4.3
389.31982	8.5
391.33807	13.5
397.30981	3.3
407.32990	8.0
409.34775	10.4
425.34549	2.4
435.32529	23.4
437.34131	46.3
455.35477	5.4
566.25726	2.5
567.36694	19.0
577.34619	2.6
585.37744	10.2
595.36346	4.2
613.36823	7.8
620.51941	2.3
631.38226	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	631.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01862	3.0
55.05502	13.2
57.03434	4.1
57.07065	4.1
67.05500	21.3
69.03422	7.6
69.07062	20.4
71.04979	3.2
71.56714	3.6
73.02910	5.5
79.05493	15.2
81.03400	4.6
81.07053	44.3
83.08606	10.6
85.02880	9.6
91.05475	20.4
93.07050	33.6
95.01337	3.5
95.04962	6.5
95.08603	78.4
97.02880	19.2
97.10143	6.3
105.07030	64.0
105.22242	2.6
107.08582	70.2
109.10152	52.8
111.08067	10.0
115.03934	5.4
117.07029	8.5
119.08571	85.2
121.10132	48.4
123.08028	3.8
123.11704	9.5
123.49797	3.0
125.02329	13.5
125.09676	2.9
129.07018	4.3
131.08568	27.0
133.10120	68.4
135.11688	20.2
135.19888	2.8
141.01826	6.2
141.06927	3.1
143.08568	9.9
145.10123	52.1
147.11674	49.9
149.13248	53.7
150.04614	2.3
153.09082	3.0
157.10141	14.5
158.10889	3.4
159.02802	2.9
159.11702	43.9
161.04399	3.0
161.09636	3.7
161.13249	49.5
163.11137	3.5
163.14825	21.9
167.10678	4.8
169.10133	4.5
171.11693	12.5
173.13280	25.8
175.14812	39.6
177.16377	25.6
185.13182	8.8
187.14825	43.3
189.03926	4.8
189.16371	100.0
191.14290	7.3
191.17932	12.6
195.11742	3.6
199.14790	17.9
201.16379	75.5
203.14441	5.1
203.17938	83.2
205.15900	11.8
205.19550	3.8
207.17387	6.7
211.14728	5.1
213.16431	18.7
215.14420	3.7
215.17920	25.1
217.07028	3.2
217.15930	6.1
217.19514	3.1
218.61082	2.6
219.17464	4.3
225.16426	5.3
227.18024	6.8
229.19481	8.3
231.17497	5.2
235.16998	3.9
245.25140	3.1
247.16914	7.6
249.18474	13.2
253.19569	3.9
267.21216	4.7
273.18381	3.8
281.22583	5.0
283.24219	4.4
296.22812	2.6
299.20062	4.8
327.23447	5.8
343.26331	4.9
365.19614	7.2
389.32089	7.3
391.33511	10.4
395.33383	3.3
397.30759	6.8
407.32941	12.9
409.34491	13.9
425.34189	5.1
435.32578	26.5
437.34103	35.5
455.35300	8.0
567.36804	14.9
585.37372	8.3
587.33551	3.2
613.37445	5.8
631.31848	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.4
55.05497	17.2
57.03419	3.1
57.07065	3.9
61.02907	3.9
65.03941	2.8
67.05498	32.2
69.03418	8.2
69.07056	19.7
73.02909	5.5
78.89782	3.5
79.05488	30.2
81.03410	9.2
81.07050	55.5
83.08619	13.3
85.02892	19.2
88.76854	3.1
91.05472	38.2
93.07039	45.3
93.89754	2.9
95.01345	5.0
95.04959	12.3
95.08601	80.1
97.02882	23.8
97.06499	3.1
97.10142	8.4
99.04440	6.1
105.07025	66.7
107.04961	5.6
107.08588	77.0
109.06519	7.3
109.10149	55.9
111.04441	3.9
111.08055	8.1
115.03926	5.0
117.06993	8.2
119.08568	94.6
121.10132	49.0
123.11713	12.9
125.02349	12.6
125.05982	4.6
129.07024	5.2
130.07751	4.9
131.08566	23.9
133.10118	71.7
135.08022	3.5
135.11649	26.5
137.05972	5.1
141.01828	11.8
142.07799	3.9
143.08556	13.8
145.04956	5.4
145.10120	53.9
147.04440	5.9
147.11681	53.2
149.13243	47.1
153.09117	5.9
155.08551	4.3
157.10152	12.7
159.11667	50.9
161.13252	44.3
163.11151	5.6
163.14838	27.7
169.10136	6.0
171.11716	12.8
173.13226	32.3
175.11115	3.9
175.14821	35.3
177.12909	4.0
177.16348	26.4
183.11656	7.3
185.13255	12.2
187.14798	37.5
189.03888	7.6
189.16365	100.0
191.14287	7.1
191.17928	17.3
197.13213	4.8
199.14824	19.2
201.16368	76.1
203.14653	5.4
203.17943	86.4
205.15807	15.0
205.19579	4.4
207.17441	9.2
211.14763	5.7
211.34752	3.6
213.16359	18.8
215.17899	20.3
217.15814	4.0
217.19470	9.8
219.17300	7.1
223.16811	3.8
225.16425	3.9
227.17863	8.3
229.19540	10.4
229.41393	3.8
231.17471	5.4
233.15251	4.7
237.16289	3.6
239.18007	5.9
241.19426	6.1
243.21078	4.3
247.16924	11.3
249.18512	12.9
261.18362	4.1
267.20993	4.1
275.20200	3.8
281.22604	4.1
329.24570	3.9
341.24692	3.9
365.19592	4.5
381.18829	3.4
389.32104	9.0
391.21375	3.5
391.33542	13.5
407.32938	12.6
409.34451	13.0
416.09290	3.5
425.34341	3.7
435.32507	24.6
437.34192	36.5
453.33353	3.4
455.35367	8.0
527.28772	3.6
567.36548	12.4
585.37805	10.4
587.33276	10.0
631.32117	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00881	1.2
55.01849	1.0
55.05506	1.4
57.03435	2.1
60.12380	0.9
63.67938	1.0
67.05482	2.7
69.03416	1.6
69.07054	1.6
69.44993	0.9
69.45309	10.1
71.04990	3.2
79.05494	3.9
81.03409	1.8
81.07043	5.2
83.04971	1.2
83.08595	1.7
83.10789	0.9
84.04455	1.1
84.08167	1.6
85.02911	8.3
85.06502	1.0
86.09679	1.7
88.82015	1.1
89.45869	1.1
91.05484	4.2
93.07043	4.1
94.06673	1.2
95.04956	1.9
95.08607	4.2
97.02892	1.6
97.06516	1.5
105.07029	4.7
107.04935	1.8
107.08609	4.1
109.10176	3.9
117.03392	2.6
119.01971	1.2
119.04952	1.7
119.08593	5.0
121.06490	2.0
121.10158	3.5
123.04399	1.8
123.08131	1.4
131.08571	2.6
133.10141	3.3
137.05998	3.8
145.02847	5.5
145.10126	3.7
147.04398	8.9
147.11749	2.0
149.05928	1.7
149.13264	1.9
155.08490	1.5
159.11664	2.3
161.13310	2.0
163.14853	1.3
167.07056	2.3
173.18008	1.1
177.05469	12.0
181.04990	2.0
187.14740	1.6
189.16449	2.7
201.16408	3.1
203.05362	1.8
203.17967	2.6
233.08064	1.6
245.06387	7.2
289.05331	19.5
301.10672	2.4
308.06598	1.3
329.23364	3.3
345.22992	1.6
347.24561	4.7
365.26569	13.1
383.27679	11.5
425.27643	3.5
425.39975	1.3
545.32941	4.0
587.33887	26.4
587.42700	1.4
613.31866	2.2
614.35370	1.4
631.16211	2.6
631.32990	100.0
632.33344	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	631.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01878	0.7
55.05505	2.4
57.03434	11.7
59.05004	1.5
61.02913	0.6
69.03423	1.7
70.06592	0.9
70.62537	1.3
71.01348	1.9
71.04989	76.9
72.05344	0.6
73.02918	2.2
75.04469	4.8
81.03418	4.8
83.04979	5.8
85.02900	100.0
85.56362	0.5
86.03253	0.6
87.04467	3.2
89.03905	3.9
97.02904	1.2
99.04448	1.7
101.06008	0.7
109.02879	0.8
111.04436	4.7
117.03369	10.8
117.04142	0.8
117.05498	0.5
127.03909	1.4
129.05472	31.1
134.03603	0.6
135.04428	0.5
137.05983	1.0
145.02840	24.5
147.06514	6.0
149.05965	4.5
171.06488	0.8
177.05458	61.2
178.05811	0.6
179.07024	0.5
185.68524	0.5
186.05444	0.5
195.06525	5.3
220.00339	0.4
239.48473	0.5
287.08951	0.7
316.11557	0.5
321.09500	2.1
323.11252	0.6
339.10709	2.0
362.23740	0.6
436.71497	0.4
467.15082	1.0
485.16345	0.6
497.45477	0.5
631.12476	0.7
631.22235	12.7
632.22064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40477	1.6
56.96561	33.6
64.96528	1.8
65.72781	2.0
69.07050	2.5
70.90187	4.2
74.97622	1.9
79.05475	2.0
81.07073	3.3
84.96015	4.8
91.05463	2.0
93.07030	5.1
95.08582	5.4
97.02913	2.0
98.97562	20.4
105.06994	4.4
107.08583	1.9
109.10146	2.6
110.97556	3.7
116.98616	17.4
119.08572	5.3
121.10088	2.0
128.53731	1.8
128.98627	9.1
133.01680	2.5
133.10123	4.4
134.99654	13.6
137.05922	2.4
145.01701	2.3
146.99635	7.7
147.03288	3.8
149.01215	2.6
153.00677	2.8
155.03766	2.9
158.99666	5.6
159.03290	4.4
159.11572	1.8
171.03294	3.3
171.11720	2.0
173.13251	1.8
177.00713	17.4
185.04788	2.6
187.06425	6.0
189.16325	4.1
200.02429	2.0
205.07504	3.9
253.14688	13.2
255.12627	5.2
257.14276	6.3
259.33041	1.8
265.14761	2.4
271.15811	16.3
273.13806	5.4
279.03693	2.4
283.15860	4.2
301.17072	3.0
305.02692	2.5
321.21103	3.1
325.20547	1.9
329.21448	25.6
335.22452	3.6
345.21045	4.3
347.18420	2.7
347.22537	36.8
349.20419	5.0
351.22147	2.9
365.19113	3.1
365.23602	46.8
367.21445	2.8
383.24472	8.7
388.25433	3.0
389.23572	3.4
407.24576	34.1
419.25128	4.4
425.25775	4.1
437.25363	4.2
483.26346	2.4
509.27298	2.7
527.28882	90.4
528.29102	2.4
545.30194	10.2
587.32129	15.6
613.29822	5.5
631.30743	100.0
632.31335	2.4
648.63531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01891	0.6
55.05510	2.9
57.03436	12.1
58.18207	0.6
59.05002	1.5
61.02900	0.7
67.05510	0.7
69.03425	2.7
70.06585	1.0
70.56029	1.2
70.56381	1.6
71.01353	2.4
71.04990	85.0
73.02911	2.4
75.04478	4.9
77.49680	0.6
81.03411	4.1
81.07037	0.7
83.04980	7.9
85.02901	100.0
86.03205	0.6
86.09712	1.0
87.04459	3.5
89.03915	5.8
91.05483	1.1
97.02878	1.2
99.04454	2.2
107.04929	0.7
109.02876	1.3
111.04427	5.9
117.03377	14.1
117.05512	0.7
119.04940	0.7
127.03905	1.9
129.05473	30.9
134.03578	1.3
135.04439	1.6
137.05969	2.0
145.02837	32.0
147.04376	1.0
147.06509	5.8
149.05934	4.8
163.03923	0.7
163.05972	0.7
167.06961	1.2
169.10109	0.6
171.06488	0.9
177.05464	70.6
178.05824	0.8
195.06549	4.7
196.52002	0.7
215.10670	0.8
219.06670	0.7
287.09036	0.7
305.02472	0.7
305.10175	0.8
321.09631	3.3
323.11334	0.7
339.10455	2.0
365.26346	0.8
467.15063	0.8
485.16626	0.7
522.26978	0.7
587.33826	0.7
613.31006	0.7
631.21289	10.9
631.32227	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	631.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01875	0.9
55.05507	2.7
57.03433	11.5
59.04996	1.8
61.02924	0.9
69.03432	2.7
70.21262	2.7
71.01358	1.9
71.04990	78.5
73.02907	2.9
75.04476	4.6
79.38348	0.6
81.03415	4.4
83.04974	7.0
85.02900	100.0
87.04449	3.1
89.03912	5.2
95.95446	0.7
97.02898	1.5
98.21378	1.0
99.04449	2.6
101.05974	0.7
109.02852	0.9
111.04434	5.3
113.06107	1.0
116.16902	0.7
117.03373	13.6
117.05509	0.8
123.18439	0.6
127.03896	2.4
129.05469	27.6
134.03645	0.6
135.04398	1.3
137.05949	1.5
145.02838	31.6
147.06497	5.1
149.05974	4.3
153.05537	0.8
157.94559	0.7
175.07500	0.9
177.05458	68.3
178.05801	1.2
179.07001	0.9
181.04939	1.0
186.04897	0.7
195.06462	5.5
211.90376	0.6
243.94484	0.6
249.43680	0.6
288.71530	0.6
289.05106	0.9
321.09357	2.3
323.11118	1.3
339.10620	1.8
467.15134	1.1
535.24274	0.6
545.19232	1.1
587.20917	5.5
631.20880	19.2
631.31866	1.4
632.20081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01878	0.7
55.05505	2.4
57.03434	11.7
59.05004	1.5
61.02913	0.6
69.03423	1.7
70.06592	0.9
70.62537	1.3
71.01348	1.9
71.04989	76.9
72.05344	0.6
73.02918	2.2
75.04469	4.8
81.03418	4.8
83.04979	5.8
85.02900	100.0
85.56362	0.5
86.03253	0.6
87.04467	3.2
89.03905	3.9
97.02904	1.2
99.04448	1.7
101.06008	0.7
109.02879	0.8
111.04436	4.7
117.03369	10.8
117.04142	0.8
117.05498	0.5
127.03909	1.4
129.05472	31.1
134.03603	0.6
135.04428	0.5
137.05983	1.0
145.02840	24.5
147.06514	6.0
149.05965	4.5
171.06488	0.8
177.05458	61.2
178.05811	0.6
179.07024	0.5
185.68524	0.5
186.05444	0.5
195.06525	5.3
220.00339	0.4
239.48473	0.5
287.08951	0.7
316.11557	0.5
321.09500	2.1
323.11252	0.6
339.10709	2.0
362.23740	0.6
436.71497	0.4
467.15082	1.0
485.16345	0.6
497.45477	0.5
631.12476	0.7
631.22235	12.7
632.22064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.01864	7.7
55.05511	36.9
57.03426	10.0
57.07056	4.0
61.02918	4.7
61.45033	3.5
67.05168	8.3
67.05503	100.0
68.05835	6.6
69.03426	15.3
69.07064	38.8
71.04974	9.8
71.08635	7.2
71.57280	6.0
79.05495	70.4
80.05818	4.8
81.03419	15.9
81.07058	92.3
81.75536	3.9
82.07402	10.2
83.04974	12.3
83.08622	17.8
85.02917	20.5
85.06538	5.6
91.05476	68.4
92.05811	8.5
93.07043	74.8
94.07394	12.4
95.04980	28.2
95.08602	76.5
97.02905	15.8
97.06550	12.2
97.10154	10.5
105.07025	74.0
107.04933	7.6
107.08604	57.8
109.02888	10.4
109.06524	33.3
109.10141	49.0
111.04393	4.8
111.08104	6.9
117.07010	27.7
119.08579	60.1
120.08952	4.7
121.06517	11.5
121.10143	41.2
122.10535	6.0
123.08090	17.7
123.11704	23.1
127.03934	11.8
128.06268	7.2
129.06993	16.3
131.08551	37.9
131.74976	4.6
133.06494	6.1
133.10127	38.3
134.10442	5.3
135.08038	22.9
135.11697	18.3
136.11987	7.5
137.09608	12.3
142.07776	9.8
143.08583	26.8
145.06422	6.4
145.10121	47.3
146.10428	8.9
147.08084	17.2
147.11674	33.1
148.12035	6.0
149.09630	16.7
149.13231	10.4
151.07619	5.0
151.17188	4.2
155.08585	12.2
156.09348	8.1
157.10123	28.2
159.08037	21.0
159.11690	35.8
161.09604	10.8
161.13260	11.1
163.11209	13.7
163.14946	5.9
167.08569	7.9
169.10170	17.1
171.08083	7.0
171.11700	27.7
173.09656	12.3
173.13274	16.5
175.11208	6.9
175.14833	6.5
181.10143	7.8
182.10712	4.9
183.11702	19.9
185.09695	11.5
185.13290	15.7
187.11206	13.5
187.14857	9.3
189.12782	25.8
191.14311	20.9
195.11717	16.8
197.09535	5.8
197.13295	15.0
199.11209	10.9
199.14919	12.3
205.15932	5.3
207.11913	6.6
207.13837	16.6
209.13254	11.0
211.14798	8.8
213.16350	8.4
215.14362	7.6
221.13206	5.3
223.14896	5.0
237.16341	4.8
241.15993	6.3
249.16461	4.9
257.18954	6.8
259.20529	7.4
260.93774	4.6
275.20081	13.5
276.20502	11.3
301.21579	5.2
309.21951	6.3
311.29099	5.1
334.67993	4.9
336.26035	5.9
367.26337	7.8
423.23068	5.1
449.34308	10.9
529.31787	22.2
547.32617	73.1
573.34186	6.9
593.38037	13.9
611.37616	21.4
611.46564	16.0
629.38928	43.3
629.48438	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.4
57.03442	2.4
57.07063	1.9
67.05498	10.2
69.03430	2.6
69.07061	17.1
69.50471	3.9
69.50873	7.7
70.06564	1.6
73.02900	4.8
74.00272	1.2
79.05479	11.7
81.07050	22.7
83.04954	1.6
83.08622	7.0
85.02898	13.2
90.23229	1.4
91.05466	13.1
93.07037	23.6
95.01346	5.4
95.04972	4.9
95.08603	33.7
97.02881	2.0
97.10204	2.5
98.21503	2.6
101.57159	1.6
103.05454	1.7
105.07022	27.3
107.08594	47.9
109.06541	3.5
109.10144	18.6
113.02363	2.5
117.07041	4.5
119.08578	52.9
121.10140	37.2
123.04436	1.8
123.11710	9.6
128.06261	2.1
129.06998	4.8
130.07785	1.5
131.03421	2.0
131.08568	14.6
133.06471	1.5
133.10121	30.8
135.11702	13.5
137.05981	3.2
137.13300	1.9
141.01837	10.2
141.06996	2.4
142.07800	3.7
143.08563	10.6
144.09433	1.6
145.10123	28.9
147.11674	19.4
149.05930	1.5
149.13240	19.3
155.08551	4.1
156.09335	3.4
157.10114	21.2
158.10895	2.3
159.02870	1.6
159.11687	23.6
161.13268	17.2
163.07581	2.0
163.14813	20.5
169.10181	4.8
170.10912	2.4
171.11674	16.3
173.13249	22.0
175.14819	35.5
175.16289	2.7
177.09138	2.3
177.16380	23.9
181.10127	2.9
183.11658	8.3
185.13194	7.3
187.14781	16.4
189.16356	29.7
191.10768	2.0
191.17969	3.6
195.11658	2.5
197.13324	5.9
199.14798	14.8
201.16360	31.7
203.17952	6.4
207.11674	1.7
209.13252	2.6
211.14842	5.8
213.16383	23.9
215.17981	12.9
221.15305	1.8
223.14774	3.2
225.16446	4.8
227.17900	13.1
229.19511	8.8
231.17352	2.4
233.15317	1.8
237.16298	3.0
239.17981	5.4
241.19443	8.6
245.15407	3.6
245.19038	2.0
247.16978	5.2
251.18016	4.0
253.19495	9.6
255.21097	3.9
259.16870	8.3
267.21118	4.5
269.22681	1.6
271.16849	2.5
273.18521	12.1
275.20282	3.0
279.21091	2.0
281.22720	2.4
285.18460	4.4
287.20038	2.9
291.21039	1.6
293.22638	2.6
297.18610	3.2
299.20099	4.9
300.13193	1.7
301.21664	2.0
313.21619	2.6
325.21716	1.7
327.23004	3.0
347.27252	2.1
365.24536	2.3
389.32001	19.2
391.33411	1.9
395.29306	1.7
407.32928	11.7
417.31616	2.2
435.32541	100.0
436.32974	4.1
453.33710	9.4
481.33115	1.8
496.02713	1.6
583.36377	7.2
611.35571	4.0
629.36707	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65783	1.8
53.03946	8.0
55.01872	13.6
55.05511	35.7
57.03443	9.1
57.07071	4.7
65.03941	5.0
67.05505	86.0
69.03429	2.9
69.07066	29.5
69.39437	4.2
69.39833	17.1
71.04989	5.9
77.03955	2.8
79.05492	65.8
81.03412	4.3
81.07056	100.0
83.04971	8.7
83.08620	18.2
85.06543	4.1
91.05480	52.9
93.07044	62.7
95.04945	16.2
95.08601	59.0
97.06541	19.0
97.10164	5.6
100.66396	1.9
105.07035	48.6
107.04955	8.7
107.08593	37.1
109.06503	11.0
109.10165	22.9
109.10854	3.1
111.08083	8.1
115.05446	3.0
117.07007	17.0
119.08577	41.5
121.06504	4.2
121.10138	27.4
123.08079	7.1
123.11732	12.8
123.23380	1.8
125.09618	4.1
127.07497	2.0
128.06223	1.9
129.07010	7.9
131.08575	26.8
133.06557	2.3
133.10117	24.2
135.08064	4.5
135.11664	17.8
137.09613	4.8
137.13258	2.5
143.08578	8.0
145.10117	23.7
147.11667	24.0
149.09605	14.3
149.13280	8.4
150.08102	2.0
151.11232	3.2
155.08569	2.4
157.10152	6.8
159.11682	18.9
161.13289	9.2
163.11174	8.3
163.14796	3.9
165.12775	6.4
169.10118	3.1
171.11694	8.0
173.13223	10.0
175.14905	2.7
177.12733	1.9
183.11740	7.4
185.13269	5.5
187.14864	3.3
189.12776	2.0
197.13266	3.7
199.14851	3.6
201.12866	2.6
211.14922	2.6
227.12798	4.4
229.19466	3.1
233.08000	2.6
239.18034	4.5
247.20737	2.7
257.19025	9.9
261.22186	8.1
275.17276	3.7
275.20081	53.9
277.21829	3.7
293.21103	7.0
310.04449	2.6
333.24216	2.6
335.25867	28.6
349.23709	17.1
359.98376	1.9
445.52670	1.9
515.37469	3.1
517.40765	3.2
535.41370	3.0
553.42175	3.0
609.45209	25.4
627.36774	2.7
627.46161	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	629.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
55.05509	14.5
56.96560	4.0
57.03417	5.7
57.07076	7.3
66.72432	3.1
67.05514	26.6
69.03423	8.1
69.07059	21.2
71.01355	9.2
71.57047	5.1
73.02916	8.3
73.65132	3.3
76.60649	3.3
79.05498	19.3
81.07058	58.1
83.08623	12.4
85.02911	28.2
88.81264	3.2
91.05470	33.1
93.07042	44.2
95.01334	27.1
95.04947	9.1
95.08607	67.1
97.02903	16.9
97.10155	6.5
101.02385	4.3
103.03946	3.9
105.07037	62.0
107.08582	69.0
109.10146	52.2
111.08084	10.5
113.02383	7.0
117.07024	13.7
119.08578	100.0
121.10130	44.5
123.08091	4.1
123.11674	15.9
125.02345	10.2
125.09644	3.3
129.07022	8.7
131.03387	8.3
131.08569	33.8
133.10138	54.8
135.11720	26.6
137.05981	5.3
137.09682	3.5
141.01826	43.2
141.07074	4.9
142.07797	4.7
143.08551	23.7
144.09372	4.4
145.05147	3.8
145.10127	60.3
147.04379	3.8
147.11702	42.0
149.13246	18.5
153.09052	4.4
155.08557	13.3
156.09273	4.2
157.10161	35.9
158.10815	3.8
159.11700	48.6
161.09625	5.6
161.13245	39.5
163.14810	21.6
167.10709	3.4
169.10146	14.9
170.02507	3.8
171.11681	22.1
173.13266	35.0
174.96912	4.9
175.14853	38.6
177.12827	3.8
177.16341	15.8
183.11696	17.8
184.12465	5.9
185.13272	15.0
187.14835	39.5
189.16365	39.7
191.14304	3.9
191.17972	5.8
193.15826	4.4
195.11732	7.7
197.13268	12.9
199.14841	36.4
201.16371	56.1
203.17996	20.7
205.15886	8.3
209.13258	7.1
211.14815	13.0
213.12747	4.1
213.16342	37.7
215.17979	17.8
217.15814	6.2
219.17424	6.2
221.13358	3.7
223.14871	8.3
225.16400	12.1
227.17990	8.2
229.19606	4.4
231.17415	4.8
235.17058	4.0
237.16397	7.4
239.17941	21.1
241.19502	22.8
243.21092	4.6
245.15332	6.2
247.16927	10.9
251.17999	6.3
253.19476	16.0
255.21120	7.2
259.17020	6.7
259.20630	4.1
267.21024	15.8
269.22574	5.2
273.18445	7.2
277.19473	4.2
279.21225	4.9
281.22656	7.2
285.18478	15.3
287.20026	7.1
293.22498	7.0
295.24249	5.0
299.20071	8.7
313.21396	3.6
315.23264	4.3
319.24353	6.6
325.21362	3.9
327.23373	3.8
333.25851	4.1
341.24567	3.7
347.27261	4.5
349.29041	7.4
353.24829	4.8
379.26050	3.7
387.30322	6.6
389.32037	26.7
393.27908	5.1
395.29425	12.2
407.33023	43.7
417.30869	3.9
426.79654	3.2
433.31021	18.5
435.32626	64.0
453.33694	38.7
565.35248	16.0
583.36157	25.3
593.34424	5.5
611.35669	14.7
629.36963	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01865	24.8
55.05508	44.0
57.03432	10.1
57.07068	6.3
64.25351	2.7
65.03931	4.1
65.28738	2.2
67.05499	100.0
69.03433	2.8
69.07069	32.8
71.04993	5.9
71.08637	2.8
79.05486	86.4
81.03418	4.9
81.07049	95.8
83.04985	8.6
83.08607	22.1
88.23389	2.5
91.05471	69.1
91.06011	4.4
93.07040	77.2
95.04951	14.5
95.08598	56.7
96.63947	2.9
97.06522	28.7
97.10151	16.6
98.21497	9.3
99.08155	4.8
103.05458	4.5
105.07019	57.2
107.04926	17.4
107.08588	56.9
109.06516	7.9
109.10139	36.0
111.08080	4.5
117.07008	21.0
119.08573	44.3
121.06494	3.1
121.10118	28.7
123.08039	4.5
123.11701	14.4
125.09633	13.6
128.06154	4.3
129.07011	5.6
131.08562	36.0
133.10126	42.4
135.08043	7.9
135.11681	14.8
137.09642	4.0
137.13258	4.2
141.07010	3.9
143.08548	17.2
144.09332	3.0
145.10106	38.1
147.11676	25.5
149.09601	21.3
149.13277	8.9
151.11140	3.4
155.08572	7.3
156.09308	2.7
157.10114	12.4
159.11697	22.4
161.09669	3.2
161.13243	15.1
163.11205	8.5
169.10097	10.1
171.11649	13.6
173.13155	16.9
175.14804	4.2
177.12798	3.3
179.14244	5.2
183.11765	7.8
185.13226	10.5
187.14879	6.7
189.11263	7.3
189.16408	2.9
195.11638	3.7
197.13298	9.8
199.14838	5.0
201.12825	3.8
211.14824	3.2
213.16451	3.4
227.12798	12.3
227.18045	3.4
229.19530	3.6
239.18019	6.6
257.18997	9.4
259.20679	3.7
261.22183	8.0
262.41034	3.0
275.20059	63.2
293.21136	10.1
333.23920	3.8
335.25793	44.6
349.23651	29.0
367.30096	4.3
515.37225	5.4
517.40808	5.0
535.41174	6.1
553.42236	5.0
609.45001	53.8
627.46265	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	627.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08485	1.1
54.91676	1.3
55.05484	2.3
56.96557	15.9
57.74088	1.3
62.17928	1.3
63.31379	1.3
67.05487	6.1
69.78861	9.7
71.95258	1.7
79.05473	4.0
81.07042	5.8
91.05463	5.0
93.07038	5.2
95.08595	3.3
105.07034	3.7
107.08607	2.6
109.10114	1.4
118.06562	2.2
119.08562	1.9
128.98608	5.9
129.06914	1.7
131.08575	2.3
135.11681	1.7
145.10138	1.6
146.99680	8.7
147.11649	1.4
161.01178	1.7
162.09067	2.3
165.00722	3.8
173.13208	1.3
189.04355	2.0
192.21820	1.2
203.05873	2.6
207.05598	1.2
209.48849	1.5
230.15344	2.3
231.15660	1.4
241.11276	2.0
243.09001	2.0
263.09494	2.0
292.18976	7.7
293.19467	3.6
303.04874	4.9
303.12735	1.8
315.16290	33.1
331.15732	2.1
333.17328	100.0
351.18402	28.8
356.18988	11.3
357.19458	1.4
374.20102	6.4
434.78204	1.6
626.21765	1.4
627.27783	3.3
627.44812	18.1
643.25189	1.6
645.40228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.7
56.96505	17.5
56.96807	1.5
65.25770	0.6
67.05435	2.3
69.07024	0.7
70.79824	0.5
71.57590	0.7
71.95200	2.2
71.95547	0.6
72.95958	0.7
74.97564	1.1
79.05418	1.4
81.06982	1.9
81.64941	0.5
84.95988	1.2
91.05413	1.4
92.04949	0.7
92.05746	0.5
92.98596	0.9
93.07008	1.1
95.04913	1.0
95.08552	1.1
98.97552	0.5
105.06982	0.7
107.04902	0.6
107.08513	0.7
109.10119	1.1
110.97504	1.7
115.97813	0.8
118.06543	2.7
119.06811	1.1
119.08550	1.1
123.01126	0.6
128.98592	6.8
129.06900	0.6
131.08475	0.8
133.10069	0.9
133.98813	1.2
134.99586	0.7
141.02174	0.7
143.00076	0.7
145.01624	0.7
146.99638	12.2
151.99965	0.6
155.03735	1.2
161.01225	2.6
161.04739	0.6
162.09122	2.6
163.09596	0.7
165.00690	4.3
170.01190	0.9
171.03239	1.3
175.02666	0.9
179.02211	1.3
179.99292	0.7
185.04836	0.5
189.04285	1.6
193.03947	1.2
203.05812	1.2
208.06059	0.6
217.85764	0.6
221.04857	0.6
227.09366	0.6
230.15367	3.0
231.15683	2.3
241.11115	1.2
245.10609	1.1
249.07832	0.7
252.10271	1.5
259.12183	2.7
263.09619	3.4
264.10364	0.5
265.11118	0.7
270.11353	1.5
277.10968	0.6
281.10614	1.6
282.11258	0.7
292.19107	7.6
293.19382	7.5
303.04849	3.9
303.12634	2.1
304.05292	0.7
315.16281	33.6
316.16769	0.8
321.13791	1.3
331.15686	2.4
333.17343	100.0
334.17581	2.1
348.21643	1.3
349.21954	0.7
351.18402	58.0
352.18759	1.1
356.18961	16.0
369.19482	1.8
374.20020	8.9
397.21729	0.5
567.25897	1.0
591.37793	0.6
627.27832	2.1
627.44574	18.0
627.59888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.2
63.41279	1.9
65.03923	4.7
67.05509	24.1
67.74355	2.1
69.03419	2.7
69.07057	13.5
71.01351	3.0
71.56934	2.2
73.02915	2.6
74.13405	2.3
79.05485	14.6
81.07055	37.3
83.08611	8.1
85.02911	13.2
91.05473	21.2
92.01115	2.0
93.07043	35.1
95.01324	17.9
95.04951	17.1
95.08602	67.1
97.02879	6.9
97.06539	3.3
97.10155	6.4
99.04383	1.9
102.07578	2.3
103.05497	2.3
105.07022	46.9
107.08592	46.1
109.10157	20.1
113.02377	2.7
117.07014	7.9
119.08576	89.8
121.10132	37.6
123.08091	3.3
123.11707	7.6
129.06969	3.2
131.08545	29.4
133.10130	58.7
135.08089	3.3
135.11697	18.3
141.01822	33.1
142.07761	2.9
143.08537	9.0
145.10118	47.9
147.08072	2.1
147.11700	34.9
149.09607	3.5
149.13278	16.4
153.09120	4.0
155.08598	2.7
156.09320	3.4
157.10100	14.3
158.10931	2.6
159.11679	33.9
161.09651	4.2
161.13243	40.2
163.14799	16.6
167.07048	4.1
169.10092	3.5
171.11693	9.9
173.13264	29.3
175.11214	3.6
175.14816	50.5
177.16354	21.0
183.11707	7.5
185.13258	11.4
187.13153	4.0
187.14818	80.8
189.12785	2.9
189.16376	100.0
191.14365	6.9
191.17905	8.7
197.13245	3.1
199.14886	10.7
201.16373	38.1
203.14314	2.7
203.17961	32.9
207.17494	3.6
211.14827	5.4
213.16365	8.9
215.14368	4.9
215.17958	5.4
217.15860	10.4
219.14008	4.0
221.15428	3.4
225.16386	5.3
227.17934	5.7
229.15790	5.9
231.17390	4.5
233.15311	4.7
235.16862	10.6
239.17950	7.3
241.19460	3.2
247.17012	6.9
249.18513	4.8
267.21060	5.0
271.08017	4.1
279.21057	3.8
281.22485	3.0
283.24115	3.7
303.04868	5.9
341.24573	3.0
355.26300	3.2
377.31964	6.5
379.17429	5.1
391.17468	6.6
393.19153	13.7
393.37769	2.2
405.19040	8.7
405.31497	16.7
423.32584	35.1
433.31018	3.4
451.32181	4.9
563.33087	3.5
581.34729	79.1
609.34167	3.3
623.97894	2.2
627.34930	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01847	1.8
55.05499	5.3
57.03427	6.5
58.59829	1.4
61.02908	6.1
67.05500	12.2
69.03433	2.0
69.07080	7.5
69.20083	1.3
70.06571	4.4
71.04984	3.1
71.56354	2.3
71.56728	1.9
79.05489	9.3
79.28756	1.3
81.03405	4.8
81.07050	40.6
83.04962	3.9
83.08608	5.3
84.08165	1.9
85.02902	13.1
85.06525	2.7
86.09705	2.8
87.05566	1.8
91.03936	5.4
91.05466	15.1
93.07035	8.2
95.04956	6.1
95.08610	12.4
97.02886	5.8
97.06528	2.5
99.08057	1.5
105.07022	20.3
107.04968	1.9
107.08585	8.2
109.02879	2.2
109.06498	3.0
109.10162	3.0
115.07616	1.5
117.03336	1.5
119.04934	1.6
119.08578	17.7
121.06509	1.7
121.10140	12.2
122.02689	3.4
123.08054	4.1
123.11696	18.3
127.03885	2.5
127.07529	3.1
129.06973	1.5
131.08565	2.3
133.06100	5.7
133.10112	4.3
135.11674	1.6
137.05963	4.6
137.09677	1.5
137.13222	1.6
141.09184	1.6
145.02855	4.1
145.04887	2.2
147.04404	2.3
147.11687	43.9
149.05913	1.6
153.01814	1.5
156.23787	1.4
163.06039	2.8
165.12730	21.9
167.07059	14.4
173.05997	2.0
177.05380	7.2
181.04926	3.6
183.13741	2.8
193.12326	3.3
229.14351	7.0
267.15915	44.6
285.16953	100.0
286.17380	1.6
287.05472	5.2
288.05792	4.4
289.06143	2.4
303.04965	15.1
417.15503	3.1
429.28168	1.7
583.30951	2.2
627.29279	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	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.48159	0.9
55.05507	2.1
62.15298	0.8
67.05496	4.4
69.07079	1.4
71.58201	0.8
78.62646	0.8
79.05505	3.4
81.07047	3.8
81.47613	0.8
82.90273	0.8
83.08623	1.0
91.05488	3.1
93.07050	1.7
95.04953	0.8
95.08632	2.4
98.76942	0.9
100.07071	0.8
105.07037	3.4
107.08573	1.6
109.10123	1.7
117.07043	1.2
118.06522	1.1
119.08582	1.7
121.10166	1.1
129.07079	1.0
131.07344	1.8
131.08530	1.6
136.07568	1.0
145.10106	1.6
172.07649	1.6
174.09129	4.5
187.12312	5.3
188.10732	2.3
196.11089	0.9
197.07071	1.1
197.10799	1.7
199.08693	1.3
199.14818	1.0
210.09293	1.5
211.08624	1.7
214.87485	1.0
215.11902	2.5
221.10939	1.4
223.08635	1.1
225.10295	3.2
227.11914	2.4
230.15457	1.6
234.11458	1.0
235.08678	1.8
237.10225	1.2
238.10928	1.1
239.11815	2.8
241.09930	1.1
241.13414	2.7
243.11284	25.5
249.10298	2.8
251.11813	2.6
253.09692	1.5
262.37936	1.0
265.09552	1.4
267.11328	6.6
269.12741	1.6
271.11148	1.1
275.20093	1.2
277.09750	2.3
285.12430	1.3
291.11169	1.9
292.19138	1.4
293.19501	1.3
295.10794	2.8
300.11523	1.3
301.15857	1.5
303.05099	7.3
309.12384	2.0
319.10916	1.4
319.14334	1.2
320.13974	1.9
325.15570	10.0
326.13199	1.0
327.13580	4.0
328.10806	2.9
328.14572	3.3
329.11624	2.2
330.12457	3.8
330.15958	1.2
331.13379	1.1
332.13953	1.0
334.15631	1.0
342.12231	2.4
342.15930	1.1
343.13327	3.9
344.10165	1.1
344.14017	3.8
345.14914	1.8
346.15521	2.8
348.13351	4.6
356.13968	3.5
357.14764	1.3
358.15540	2.3
368.14120	1.3
370.15588	2.1
371.16623	1.4
372.17526	4.5
374.14996	1.9
386.18781	2.5
390.18698	1.7
400.16663	2.6
403.15955	1.6
406.18567	1.0
416.15952	1.5
417.16818	1.3
418.17813	1.4
419.19348	1.2
432.19315	3.9
435.18555	1.7
437.19891	2.9
438.20047	1.2
447.17331	1.2
447.22525	1.6
448.20972	1.4
449.15976	1.5
450.16342	2.4
450.21701	1.2
451.17599	2.7
460.18692	1.8
461.23575	2.8
462.20020	1.3
462.25131	1.2
463.21103	3.5
465.18961	15.9
477.19470	1.8
478.20078	2.0
479.20502	7.3
480.21664	3.2
481.22079	4.2
489.22733	1.8
492.21683	2.6
493.22198	3.9
504.20697	1.9
505.22186	1.6
507.23923	4.7
508.21155	1.5
517.22729	2.8
521.25702	2.6
535.23389	7.2
549.24854	14.5
553.24524	2.1
563.22681	1.1
567.26025	89.3
568.26440	3.1
577.24640	2.9
595.25458	100.0
596.25909	2.8
609.45721	1.1
626.44604	1.9
627.28137	36.5
627.44183	5.0
628.46777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2808
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.42474	0.7
67.05486	2.3
70.02941	0.8
79.05476	1.2
81.07036	1.9
91.05447	1.9
93.07034	0.8
93.57154	0.6
95.08620	1.4
95.55989	0.8
98.21546	1.6
102.10917	0.8
105.07024	1.6
106.06550	1.5
107.08598	1.0
117.07012	0.9
118.06541	2.4
120.08112	0.8
121.10114	1.0
122.06018	1.3
124.07507	0.8
124.71505	0.7
130.06526	1.1
131.07295	1.9
131.08546	0.8
131.20670	0.7
132.08095	0.9
136.07530	1.6
138.09172	1.4
144.08130	0.6
146.09674	1.3
160.07561	0.9
160.11229	0.8
162.09160	1.3
174.09129	5.8
184.09955	1.0
187.08742	1.6
187.12318	5.3
188.10692	2.1
197.07059	0.9
197.10704	1.1
210.09209	0.7
211.08711	2.0
212.09314	1.1
213.10223	1.6
215.11844	2.7
221.10773	0.8
223.08739	0.8
224.09436	1.1
225.10260	3.9
225.12227	0.7
226.10860	0.7
227.11693	4.0
230.15442	2.1
235.08633	1.8
237.10173	0.9
239.11836	3.0
240.12340	1.0
241.13385	3.3
243.11313	26.5
249.10190	2.5
251.08128	1.0
251.11836	2.7
252.08887	1.0
253.09711	1.8
255.11162	0.9
263.11963	1.8
265.09686	1.0
267.11322	8.6
269.12872	2.3
277.09622	1.7
285.12439	2.9
291.11105	1.1
292.19058	5.4
293.19415	1.7
295.10654	4.1
297.15909	0.8
299.14139	1.5
301.12332	0.8
301.15652	4.0
303.04980	3.2
305.12408	0.9
306.12268	0.9
309.12366	1.6
313.12540	0.8
314.12857	1.9
315.13974	1.3
316.10757	2.2
316.14420	1.7
317.11670	1.3
319.10699	1.6
320.13977	1.0
325.15433	9.9
326.13080	0.8
327.13342	8.1
328.10800	1.8
328.14563	2.5
329.11630	2.3
329.15332	1.5
330.12347	3.1
330.15906	1.3
331.13181	1.7
332.13922	1.0
333.11234	1.1
334.15747	1.3
342.12387	3.7
343.13092	2.7
344.14050	4.8
344.17517	0.9
345.14795	1.6
346.15491	1.7
348.13498	3.5
351.13678	1.2
354.12332	1.3
355.13382	1.5
356.13818	4.5
357.14883	2.7
358.15411	4.0
360.17139	1.5
368.13998	0.9
370.15585	3.1
371.16586	0.9
372.17044	5.0
374.14902	1.1
382.15561	1.7
384.17358	1.3
386.14575	1.8
386.18732	2.3
398.15048	1.1
400.16513	3.1
403.15692	1.5
405.17499	1.1
407.14890	1.0
408.16608	0.9
416.16086	1.0
417.17004	1.3
419.18735	1.5
420.16629	1.8
421.16599	1.4
422.17838	1.5
423.17834	1.0
430.17990	1.0
431.18378	1.6
432.20016	4.4
435.14325	2.5
435.19040	1.4
436.19562	1.4
437.19916	1.6
445.20337	1.1
447.21616	2.8
449.14990	1.3
449.20444	1.8
450.16312	1.6
451.16589	1.1
451.22134	1.2
460.18762	2.3
461.23557	2.1
462.24005	3.0
463.21417	2.7
464.18723	1.4
465.18832	14.7
472.18814	0.9
474.20230	1.0
476.19482	0.9
477.18900	1.8
478.19901	1.6
479.20587	7.2
480.21448	3.2
481.22354	3.8
489.22876	2.3
490.20364	1.3
491.20895	2.2
492.21521	5.1
493.22015	3.8
504.21201	3.3
505.21069	1.3
506.22992	1.2
507.24185	5.1
508.20816	1.6
517.22095	2.5
520.20917	1.1
535.23438	7.9
537.21777	1.3
549.24872	13.8
552.24133	1.5
553.24255	2.8
567.25983	79.2
568.26129	1.4
577.24268	4.0
595.25482	57.4
609.26416	1.4
626.44153	4.4
627.27979	100.0
627.44537	8.6
628.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05497	1.2
67.05502	1.7
69.07072	0.5
69.58070	1.1
69.58494	1.4
70.42016	0.4
74.38261	0.3
79.05482	1.4
81.07062	2.6
83.08634	0.6
91.05470	1.1
93.07034	1.0
95.04948	0.4
95.08617	0.9
97.06545	0.5
97.10194	0.5
105.07018	1.9
106.07331	0.5
107.08614	0.6
109.10138	0.7
117.07008	0.7
119.08575	0.9
119.95043	0.4
131.08586	0.6
133.10159	0.5
143.08530	0.4
145.10112	0.5
157.10081	0.5
159.11681	0.5
166.19485	0.4
186.13741	0.4
187.14812	0.4
197.13148	0.4
233.29103	0.4
236.33449	0.4
246.74339	0.3
303.04910	1.9
377.17499	0.7
379.19214	1.0
383.87134	0.4
391.19150	1.1
392.19946	1.2
393.20941	1.8
395.22287	0.5
404.16202	0.5
405.16699	2.7
405.21609	0.7
406.17923	1.4
407.17786	0.7
407.19290	0.6
407.22751	3.4
408.23157	0.5
418.17819	0.6
419.18365	2.6
420.19049	2.1
421.20303	4.4
423.21741	1.5
429.75336	0.5
430.93726	0.4
433.20389	4.1
434.21158	4.4
435.21881	6.2
436.22687	0.9
447.21927	1.1
448.18646	0.8
449.19562	7.3
453.22360	0.4
462.20605	0.7
463.21024	3.0
464.22122	1.5
465.19247	1.4
467.24219	0.8
477.22797	0.7
479.20261	3.1
480.21567	0.7
481.22083	2.5
491.25143	0.5
493.22110	2.6
494.23053	3.1
495.23877	3.2
507.24210	9.4
509.25055	1.1
510.26556	0.6
525.24792	0.6
526.25848	0.6
539.22504	2.5
549.24921	1.3
553.24591	1.0
567.26056	17.3
568.26971	0.5
581.25256	0.4
599.28119	0.7
609.27490	0.6
626.44507	0.8
627.28046	100.0
628.28558	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03427	0.5
57.09602	0.2
61.02647	0.3
61.02926	3.9
68.99774	0.5
69.03416	0.6
69.06438	0.2
70.06586	0.3
71.04636	0.2
71.04975	0.9
71.56297	0.2
71.56725	0.2
73.02920	1.2
81.03410	0.6
85.02900	4.6
91.03957	2.1
93.03440	0.2
97.02884	2.1
99.04437	0.4
109.02876	0.8
111.00826	0.4
113.54947	0.2
121.02867	1.1
123.04411	0.4
127.03893	0.9
127.71896	0.2
135.04366	0.2
137.02315	2.9
137.03288	0.3
147.04427	0.3
149.02359	0.5
153.00597	0.2
153.01804	3.6
155.06055	0.2
161.06070	0.3
163.03845	0.4
165.01860	1.5
166.02682	0.3
173.06041	0.2
183.02863	0.6
183.04370	0.2
201.05443	1.5
219.06642	0.3
228.04065	0.2
229.04936	3.9
247.06039	0.7
257.04410	3.1
274.04843	1.1
285.04007	1.4
303.04962	100.0
304.05283	0.8
315.04932	0.2
317.06497	0.3
318.06860	0.2
319.04114	1.0
345.06012	0.5
428.25443	0.2
465.10287	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
57.03414	1.2
60.27534	0.4
61.02924	6.1
66.25343	0.4
68.99768	0.5
69.03442	2.4
70.06580	0.5
70.12819	2.0
71.04972	1.6
73.02899	2.2
81.03399	1.4
85.02895	14.7
86.09685	1.6
91.03943	5.2
91.05424	0.6
95.04904	0.4
97.02885	6.1
99.04444	0.9
107.04973	0.5
109.02864	1.4
111.00767	1.0
115.03989	0.7
121.02820	1.1
124.99989	1.1
127.03918	3.3
129.05473	0.7
137.02359	4.4
137.05910	0.9
145.04927	2.4
147.04324	0.6
153.01822	4.1
155.04817	0.6
163.03874	0.7
163.06068	1.1
165.01857	1.7
173.05969	0.5
177.05379	0.5
183.02951	0.8
183.04396	0.5
184.07333	3.2
187.03853	0.5
194.13304	0.5
195.02892	0.6
201.05466	1.8
229.04988	4.1
238.02397	0.4
247.06093	0.6
257.04395	3.0
260.84595	0.5
263.39670	0.4
274.04782	1.1
285.03943	1.5
287.05527	0.7
302.04434	0.9
303.04965	100.0
304.05389	1.2
315.04993	4.3
316.05875	0.8
317.06567	0.8
318.06778	1.0
319.04410	5.8
327.05014	0.9
341.06525	1.1
345.06006	5.9
369.05972	4.7
381.05911	0.9
399.07138	1.0
411.07150	0.8
429.07898	0.9
447.09409	1.2
465.10257	5.4
481.09988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72343	0.1
53.18959	0.1
57.03415	0.4
61.02925	3.8
68.99796	0.4
69.03419	0.8
69.55131	0.1
71.04349	0.3
71.04958	0.1
73.02928	1.1
81.03412	0.4
85.02901	3.8
91.03415	0.1
91.03954	2.3
93.03415	0.2
95.04935	0.2
95.21352	0.1
97.02892	2.1
99.04437	0.3
109.02856	0.5
111.00818	0.8
115.03925	0.3
121.02808	0.7
127.03922	0.9
137.02322	2.7
145.04947	0.6
149.02335	0.4
153.01811	2.9
161.05975	0.3
163.03868	0.6
165.01831	1.7
166.02512	0.2
173.06006	0.4
183.02890	0.5
183.04378	0.3
187.03987	0.2
195.02766	0.3
201.05441	1.2
205.05051	0.3
207.02873	0.2
219.02885	0.2
219.06561	0.3
228.04065	0.2
229.01494	0.1
229.04965	3.4
239.03142	0.2
247.05995	0.7
257.04443	2.5
274.04712	0.7
275.05322	0.2
285.03952	1.3
303.04971	100.0
304.05328	1.1
315.04785	0.3
319.04477	1.1
345.06042	0.4
369.05984	0.5
465.10306	7.9
537.10138	0.1
538.35999	0.2
565.04791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01862	10.7
55.05511	36.0
57.03440	12.1
59.05000	3.5
67.05169	7.5
67.05500	79.3
68.86716	3.7
69.03428	10.2
69.07066	35.1
69.53893	29.2
71.04996	9.1
78.52672	3.4
79.05489	65.5
81.03407	13.7
81.07057	92.6
82.12666	3.3
83.04971	12.1
83.08630	27.1
85.02887	4.4
85.06562	7.0
91.05479	66.6
93.07049	50.3
94.07383	4.0
95.04961	12.4
95.08604	56.1
97.06525	15.4
97.10161	19.3
99.08118	6.7
105.07030	57.0
107.04941	6.5
107.08576	36.1
109.06528	6.7
109.10143	26.5
111.08083	5.1
117.07012	28.6
119.08586	54.7
121.06508	6.3
121.10155	23.7
123.08023	6.2
123.11724	13.1
125.09631	9.5
128.06267	7.5
129.07008	27.7
131.08556	38.6
132.08923	4.7
133.10136	35.0
135.08076	5.0
135.11717	13.5
137.09656	5.4
141.07027	7.6
142.07704	5.4
143.08569	32.1
145.06519	6.1
145.10120	34.2
147.08046	4.2
147.11687	25.6
149.09610	9.7
149.13258	8.7
151.11162	5.6
155.08585	18.1
157.10097	31.5
159.11635	25.9
159.92807	3.5
161.09575	5.1
161.13335	9.7
163.11214	6.1
167.08591	6.6
169.10123	23.1
171.11635	23.6
173.09616	4.2
173.11905	4.4
173.13200	18.6
175.14874	8.7
181.10106	11.2
183.11671	24.6
185.09671	4.3
185.13286	16.5
187.11143	4.6
187.13306	5.6
187.14871	5.4
189.11226	7.2
193.10083	4.3
195.11711	14.4
195.13895	4.7
197.13281	16.3
199.14812	11.5
201.12732	4.0
201.16344	5.7
207.11693	5.5
209.13290	8.7
211.14891	16.3
213.16466	7.9
215.14366	4.1
219.11581	4.4
221.15283	4.3
223.14813	5.9
225.16345	9.2
227.12802	10.5
227.17946	4.7
233.13327	4.6
235.14795	5.5
237.16315	5.4
239.18002	12.6
241.19687	8.7
257.18878	4.6
259.20663	4.4
263.17990	4.5
265.19705	3.8
275.20013	10.9
277.21719	4.3
333.24411	5.0
349.24069	5.0
353.24713	5.3
365.28357	10.9
374.48056	3.8
383.47629	3.8
415.29437	4.0
421.31204	4.3
445.29443	19.2
463.30310	6.7
495.34485	4.5
513.35559	15.6
515.38708	14.2
533.39514	21.3
551.40863	12.8
607.43445	55.0
608.43604	4.7
625.34619	7.1
625.44647	100.0
626.44745	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.6
55.01871	34.0
55.05511	37.2
57.03425	10.6
65.03953	8.2
67.05180	4.8
67.05510	78.1
69.03456	5.2
69.07069	80.1
71.05002	5.7
79.05489	72.2
81.06590	5.0
81.07057	82.5
83.04987	8.7
83.08618	20.4
85.06533	6.6
91.05481	68.0
93.07047	63.5
95.01283	3.9
95.04975	12.3
95.08610	58.7
97.06527	39.6
97.10142	7.1
99.08089	6.0
105.07037	81.1
107.04936	16.0
107.08586	39.0
109.06503	7.2
109.10174	22.0
109.10792	4.6
111.08029	4.2
117.07034	33.2
119.08584	48.8
121.10167	23.8
123.08058	8.1
123.11675	5.9
128.06206	6.7
129.07007	17.9
131.08575	50.1
133.06459	5.5
133.10124	40.1
135.08011	6.3
135.11679	17.5
141.06993	11.8
142.07803	4.9
143.08580	27.0
145.06483	7.1
145.10127	36.2
147.08029	4.8
147.11703	29.7
149.09612	11.4
149.13264	9.9
154.07858	3.8
155.08546	17.7
157.10132	30.6
159.11671	30.7
161.09634	3.1
161.13278	18.1
163.11180	11.5
165.09109	3.8
167.08566	6.6
169.10115	19.7
171.11681	30.7
173.13266	20.2
175.11234	4.9
175.14842	7.9
177.12701	4.5
179.14392	6.2
181.10104	11.7
183.11700	19.3
185.13306	19.7
187.14851	9.5
195.11693	10.6
197.13319	14.6
199.14844	9.1
201.53618	4.2
207.11754	8.8
209.13315	7.2
213.16423	6.5
217.19447	3.9
221.13379	4.0
223.14627	7.2
225.16428	7.9
227.17957	4.1
237.16469	5.1
241.19452	16.6
245.19020	5.8
251.17841	5.7
257.19025	7.8
259.20544	15.4
263.20197	4.5
265.19400	4.1
273.18494	15.0
275.20081	39.9
293.21213	5.4
315.23068	5.5
333.24261	16.4
349.23737	23.5
421.30701	5.0
435.32590	10.0
437.34122	16.4
447.32117	4.2
501.35507	4.3
509.36539	4.4
511.37518	10.6
513.35474	8.8
515.38525	11.5
527.37323	7.3
529.38965	7.8
533.39594	14.1
551.40771	8.8
556.38281	5.2
607.43530	65.2
608.44507	3.9
625.44690	100.0
626.44592	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61016	1.5
53.03942	8.3
54.12099	1.4
55.01625	2.9
55.01873	45.9
55.05509	37.3
57.03436	15.3
57.07066	6.9
65.03933	5.2
67.05505	72.4
69.03413	3.9
69.07068	88.4
69.26409	9.2
69.26843	9.9
71.04982	2.9
71.08633	2.5
73.06553	1.8
77.03948	2.0
79.05491	62.8
81.03406	6.9
81.07055	82.2
83.04993	9.3
83.08629	13.9
85.06546	5.6
85.07178	1.5
91.05478	69.0
93.07046	57.7
95.01334	6.7
95.04974	17.5
95.08604	55.7
97.06532	56.5
97.10166	6.7
99.08080	4.4
103.05481	2.0
105.07030	67.6
107.04957	17.1
107.08595	40.9
109.06519	10.0
109.10141	20.9
111.08074	5.2
115.05473	4.2
117.07018	29.5
119.04938	1.8
119.08578	53.1
121.06510	7.7
121.10139	26.3
123.08096	10.7
123.11710	6.3
125.09647	8.4
128.06224	5.8
129.07010	26.1
130.07739	2.2
131.08568	52.4
133.06502	3.7
133.10129	43.7
133.11090	3.1
135.08078	6.8
135.11694	19.6
137.09653	3.2
139.07559	2.1
139.11143	2.0
141.06990	11.7
142.07806	5.0
143.08557	30.9
145.06552	3.9
145.10117	43.4
147.08055	4.9
147.11694	33.4
149.09612	11.1
149.13245	9.0
151.11209	4.5
153.06932	2.3
154.07788	2.5
155.08554	18.6
156.09331	3.5
156.77475	1.9
157.08911	3.6
157.10124	32.4
159.08105	4.1
159.11697	32.9
161.09624	5.5
161.13258	20.7
163.11177	6.9
163.14848	3.8
165.07050	2.9
165.09181	2.0
166.07770	2.2
167.08540	8.2
169.10112	22.6
171.08087	2.5
171.10275	3.6
171.11685	28.9
172.34058	1.9
173.09676	3.8
173.13261	23.3
175.11296	4.1
175.14828	14.1
177.12764	7.5
179.08566	3.7
179.14328	6.9
180.09402	2.3
181.10152	12.2
182.10881	3.7
183.11694	22.9
185.09700	3.2
185.13263	26.1
187.11221	6.4
187.14754	9.7
189.12695	3.7
191.14343	2.5
193.10146	3.7
195.11745	13.4
195.13387	2.1
196.12433	3.2
197.13234	14.9
199.11171	3.3
199.14844	12.0
201.16417	5.1
207.11639	5.7
207.13579	2.0
209.13252	11.6
211.14912	10.2
213.12782	1.7
213.16405	6.4
215.17900	2.8
219.11745	2.8
219.17398	3.7
221.13264	4.7
223.14912	9.7
225.16432	6.3
227.18034	2.2
229.19565	1.7
235.14703	2.8
237.16417	5.1
239.14351	2.1
239.17960	5.9
241.19522	20.1
245.19034	2.6
247.14876	2.9
247.20631	2.6
249.16499	2.9
251.18077	2.4
255.17325	2.3
257.18994	11.9
259.20566	28.1
263.17853	2.0
265.19464	2.6
267.20862	1.9
273.18478	11.3
275.20068	57.9
277.21783	5.0
283.20377	1.8
285.22296	2.5
291.19592	4.1
293.21277	2.8
297.22125	4.4
299.23849	2.5
309.22198	2.2
311.23761	2.5
313.21866	4.2
313.25311	2.2
315.23215	5.6
323.23755	3.2
325.25256	4.0
331.22684	2.9
333.24286	15.5
335.25958	4.0
339.23251	4.3
341.25003	2.6
347.22305	2.6
349.23691	33.8
353.24747	3.4
355.26593	2.4
365.23578	2.0
367.26285	3.5
377.28659	2.2
391.29852	2.2
393.27673	2.0
395.29526	2.1
403.30423	2.2
409.31183	4.0
417.31415	2.5
419.33582	4.1
421.31116	3.2
435.32510	8.6
437.34167	24.5
445.30942	2.8
455.35400	4.7
463.31879	2.8
473.33832	1.9
483.34872	2.6
483.41736	1.9
493.36981	3.1
497.37076	2.0
499.34402	2.3
501.35938	2.3
505.40033	2.5
509.36136	6.2
511.37906	18.0
513.35559	11.3
515.38959	10.4
521.37885	1.8
527.37549	7.1
529.39099	6.8
533.39813	16.5
551.40887	10.4
555.37122	6.0
556.37701	3.9
589.42603	2.0
597.45673	2.9
607.43610	62.3
608.44275	2.9
615.58026	1.8
625.28522	6.2
625.44641	100.0
626.44983	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01867	7.7
55.05509	37.1
57.03423	9.5
57.07057	3.7
59.04986	4.3
64.80517	2.2
65.03929	5.1
67.05501	62.8
69.03429	2.4
69.07071	28.1
69.39114	21.0
71.04992	5.6
79.05490	44.9
81.07054	53.4
83.04978	5.8
83.08610	15.4
85.06538	3.0
91.05479	39.9
93.07040	45.8
95.04974	9.5
95.08607	36.7
97.06546	12.8
97.10156	10.2
99.08093	2.2
105.07022	35.1
107.04974	5.3
107.08580	27.2
109.06512	5.8
109.10144	22.4
111.08090	3.5
115.05429	4.1
115.67168	2.0
117.06998	21.5
119.08570	37.1
121.10120	13.7
123.08088	3.0
123.11654	11.5
125.09624	12.5
128.06203	5.0
129.06996	21.2
131.08551	31.3
133.10118	26.2
135.08011	4.0
135.11700	10.8
137.09602	3.5
141.07011	8.9
142.07785	6.3
143.08549	25.4
145.06552	2.4
145.10115	35.3
147.11668	15.7
149.09616	4.7
149.13261	3.6
151.11205	2.6
153.06964	2.2
155.08549	20.7
157.10126	25.3
159.11691	18.7
161.09679	2.3
161.13245	10.2
163.11121	2.4
165.07008	3.2
167.08553	4.8
168.09344	2.8
169.10130	20.4
171.11682	18.6
172.12363	3.2
173.09576	2.5
173.13181	12.7
175.14928	4.0
176.77216	2.3
179.08589	4.7
181.10074	10.7
183.11711	24.0
185.13237	16.1
187.13277	2.7
187.14859	6.8
189.11203	4.5
189.16312	2.7
193.10069	3.6
194.10921	2.2
195.11671	10.3
197.13237	15.0
198.14006	2.3
199.14867	12.0
201.16405	4.2
207.11687	5.9
209.13293	9.3
211.14851	11.0
213.16454	6.1
215.14223	2.3
215.18077	3.6
221.13275	3.1
223.14857	7.3
225.16461	9.1
227.12813	8.5
227.18034	3.7
229.19589	2.6
237.16406	7.0
239.18022	7.4
241.19518	4.3
243.15849	3.8
251.17827	2.5
253.19592	3.1
257.19025	4.9
259.20612	8.1
273.18680	2.5
275.20145	8.0
297.22202	2.5
333.24310	3.3
349.23788	3.1
365.28259	12.1
381.31561	4.6
383.29678	4.8
403.29776	2.3
421.30963	4.3
439.32095	6.7
513.35626	21.7
515.38885	8.9
533.39496	11.6
551.40643	8.0
555.36664	2.7
589.42596	3.5
597.44843	2.4
607.43524	45.6
625.44592	100.0
626.44812	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01862	10.7
55.05511	36.0
57.03440	12.1
59.05000	3.5
67.05169	7.5
67.05500	79.3
68.86716	3.7
69.03428	10.2
69.07066	35.1
69.53893	29.2
71.04996	9.1
78.52672	3.4
79.05489	65.5
81.03407	13.7
81.07057	92.6
82.12666	3.3
83.04971	12.1
83.08630	27.1
85.02887	4.4
85.06562	7.0
91.05479	66.6
93.07049	50.3
94.07383	4.0
95.04961	12.4
95.08604	56.1
97.06525	15.4
97.10161	19.3
99.08118	6.7
105.07030	57.0
107.04941	6.5
107.08576	36.1
109.06528	6.7
109.10143	26.5
111.08083	5.1
117.07012	28.6
119.08586	54.7
121.06508	6.3
121.10155	23.7
123.08023	6.2
123.11724	13.1
125.09631	9.5
128.06267	7.5
129.07008	27.7
131.08556	38.6
132.08923	4.7
133.10136	35.0
135.08076	5.0
135.11717	13.5
137.09656	5.4
141.07027	7.6
142.07704	5.4
143.08569	32.1
145.06519	6.1
145.10120	34.2
147.08046	4.2
147.11687	25.6
149.09610	9.7
149.13258	8.7
151.11162	5.6
155.08585	18.1
157.10097	31.5
159.11635	25.9
159.92807	3.5
161.09575	5.1
161.13335	9.7
163.11214	6.1
167.08591	6.6
169.10123	23.1
171.11635	23.6
173.09616	4.2
173.11905	4.4
173.13200	18.6
175.14874	8.7
181.10106	11.2
183.11671	24.6
185.09671	4.3
185.13286	16.5
187.11143	4.6
187.13306	5.6
187.14871	5.4
189.11226	7.2
193.10083	4.3
195.11711	14.4
195.13895	4.7
197.13281	16.3
199.14812	11.5
201.12732	4.0
201.16344	5.7
207.11693	5.5
209.13290	8.7
211.14891	16.3
213.16466	7.9
215.14366	4.1
219.11581	4.4
221.15283	4.3
223.14813	5.9
225.16345	9.2
227.12802	10.5
227.17946	4.7
233.13327	4.6
235.14795	5.5
237.16315	5.4
239.18002	12.6
241.19687	8.7
257.18878	4.6
259.20663	4.4
263.17990	4.5
265.19705	3.8
275.20013	10.9
277.21719	4.3
333.24411	5.0
349.24069	5.0
353.24713	5.3
365.28357	10.9
374.48056	3.8
383.47629	3.8
415.29437	4.0
421.31204	4.3
445.29443	19.2
463.30310	6.7
495.34485	4.5
513.35559	15.6
515.38708	14.2
533.39514	21.3
551.40863	12.8
607.43445	55.0
608.43604	4.7
625.34619	7.1
625.44647	100.0
626.44745	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63857	1.9
53.03939	5.3
55.01867	14.8
55.05510	41.1
55.53335	2.0
57.03428	11.3
57.07063	5.5
65.03932	3.4
67.05501	83.6
69.03426	3.9
69.07066	44.1
71.04987	8.9
79.05489	56.0
81.03397	3.9
81.06577	4.7
81.07053	80.7
83.04969	9.3
83.08621	22.7
85.02871	1.8
85.06544	4.8
87.92925	2.4
90.15179	2.0
91.05475	55.9
92.19741	2.1
93.07038	53.7
94.07415	2.4
95.04977	11.9
95.08604	48.9
95.09174	4.2
97.02981	2.0
97.06521	18.1
97.10179	12.2
97.10694	2.0
99.08096	2.8
103.05472	2.1
105.07021	50.2
107.04935	7.5
107.08590	42.7
109.06509	7.0
109.10147	29.1
109.55116	2.0
111.08079	5.2
115.05446	4.0
115.31179	2.1
117.07017	25.2
119.08569	40.2
121.06509	3.3
121.10146	20.3
123.08078	5.2
123.11736	11.5
125.09625	11.2
128.06247	7.0
129.07002	25.1
130.07800	2.3
131.08551	37.8
133.10117	37.6
135.08014	5.7
135.11703	14.4
137.09645	3.7
137.13231	2.2
139.11166	2.8
141.07024	10.6
142.07820	7.8
143.08546	29.7
144.09337	4.9
145.06525	3.3
145.10121	40.3
147.08076	5.3
147.11662	17.2
149.09628	8.8
149.13271	8.5
153.06953	3.2
154.07722	2.6
155.08527	25.1
156.09314	3.6
157.10095	29.1
159.11688	22.5
161.09590	5.1
161.13226	12.2
163.11191	7.0
165.09169	2.9
167.08569	9.1
169.10118	21.5
171.11670	26.4
173.13245	13.5
175.11232	2.3
175.14816	4.1
177.12692	2.4
179.08559	2.6
181.10088	14.4
183.11658	28.8
185.09590	2.7
185.13228	17.3
185.62305	1.9
187.11221	3.2
187.13300	4.1
187.14839	8.4
189.11267	6.0
189.12840	2.9
193.10098	5.4
195.11674	12.4
196.12498	2.6
197.13264	20.2
199.14861	14.0
201.16393	5.3
205.10072	2.7
207.11673	5.5
209.13248	13.9
211.14861	14.2
213.16393	5.2
215.17870	2.8
219.11650	2.8
221.13335	4.1
223.14827	8.5
225.16409	8.5
227.12863	9.0
227.17957	4.2
231.17467	3.0
233.15633	2.7
235.14848	7.2
237.16362	5.1
239.17970	7.5
241.19577	7.2
249.16371	2.6
251.17943	6.2
253.19591	2.8
255.17567	4.6
257.19052	5.9
259.20621	8.5
265.19449	3.1
267.21155	3.2
273.18637	6.9
275.20169	13.6
291.19531	4.9
297.22195	2.8
315.23215	3.1
333.24258	6.7
339.23138	2.8
349.23920	5.3
365.28467	7.5
379.30106	2.9
381.31711	3.1
421.30951	6.0
495.34924	4.2
513.35767	19.1
515.38812	8.1
533.40057	11.1
551.41095	8.2
607.43500	43.8
625.44525	100.0
626.45050	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	625.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05510	20.5
57.03429	7.1
60.49072	3.5
67.05495	40.8
69.03414	6.2
69.07050	15.0
69.32719	37.5
71.05010	5.1
79.05486	28.4
81.03410	8.0
81.07040	35.0
83.08607	10.8
85.02905	5.3
91.05466	40.6
92.47811	3.5
93.07051	30.3
95.04946	5.4
95.08594	27.6
97.02873	4.7
97.06490	8.2
105.07030	42.2
107.04946	4.9
107.08590	18.6
109.06501	5.3
109.10141	10.5
117.07009	20.5
119.08540	27.2
120.01743	3.9
121.06520	4.7
121.10136	14.3
123.08108	4.4
123.11721	4.5
123.67834	3.7
129.07005	13.9
131.08554	29.1
133.10114	14.0
135.11659	7.0
143.08577	13.3
145.10123	14.6
147.08089	4.6
147.11690	5.8
148.47446	3.8
157.10107	7.2
159.11673	8.2
163.44421	4.1
171.11655	9.7
173.13274	4.1
185.13205	6.4
227.14154	4.9
272.88846	3.5
343.26233	5.3
353.24786	16.6
358.42920	3.4
371.25781	23.8
389.26743	16.4
445.29446	100.0
463.30466	59.7
625.31354	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	625.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.4
59.47971	6.1
65.60259	6.6
67.05186	7.0
67.05498	49.4
69.07065	18.8
79.05487	42.4
81.03407	8.3
81.07050	56.5
83.04964	6.7
83.08611	7.3
87.77845	6.1
91.05485	40.5
91.18910	7.8
93.07034	36.9
95.08585	26.1
97.10148	7.1
98.20782	15.9
105.07041	41.4
107.08570	21.3
109.10143	11.2
117.07001	16.3
119.08559	28.0
121.10124	13.2
129.07001	15.8
131.08551	28.1
133.10124	14.8
143.08569	16.1
145.10088	26.5
147.65773	6.8
149.09721	7.2
150.50171	7.0
155.08577	9.9
157.10132	8.3
159.11681	13.4
161.13139	7.1
174.36366	7.0
185.13268	6.8
229.74699	6.7
231.00940	7.6
310.25311	6.9
353.24451	9.2
358.08145	6.6
371.25623	14.1
389.26968	17.5
445.29501	100.0
463.30728	33.6
607.43005	9.3
625.44232	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01855	7.2
55.05507	30.2
55.10100	2.8
57.03423	5.6
57.07059	3.7
67.05501	69.3
69.03420	5.6
69.07063	27.2
70.10459	6.6
70.10860	6.7
71.04990	6.4
79.05056	5.0
79.05491	49.7
79.19874	2.4
81.03399	8.7
81.07051	65.9
83.04983	7.2
83.08617	15.2
85.02888	4.1
85.06542	6.0
86.56501	2.4
87.15934	2.3
91.05482	57.6
93.05788	2.5
93.07040	46.3
95.04967	11.6
95.08602	39.5
97.02924	3.1
97.06528	8.6
97.10151	11.1
98.20706	2.8
105.07030	48.5
107.04940	5.2
107.08578	31.6
109.06511	8.9
109.10142	23.4
111.08099	4.5
115.05440	3.6
117.06996	19.8
119.08576	36.1
121.06557	3.3
121.10157	14.8
123.08055	7.0
123.11708	7.8
125.09615	6.4
128.06169	5.8
129.06979	20.9
131.08559	39.6
133.06494	3.4
133.10138	27.7
135.08055	6.0
135.11670	10.3
141.07042	6.8
142.07780	4.8
143.08537	20.9
145.10107	27.6
147.08055	3.8
147.11650	12.1
149.09615	4.1
149.13165	4.6
155.08519	15.9
157.10161	22.3
159.11697	14.9
161.13219	7.7
167.08545	5.3
168.09384	4.2
169.10132	18.7
171.11667	16.2
173.11870	3.7
173.13272	10.0
181.10054	9.0
182.10980	2.8
183.11685	12.7
185.13272	12.1
187.14821	6.1
189.12769	3.5
195.11650	10.7
197.13217	12.1
199.14780	6.0
201.12802	3.4
201.16519	4.0
207.11670	3.4
209.13248	9.4
211.14787	9.9
213.16440	5.4
223.14899	4.3
227.12627	3.5
259.20676	4.3
275.20001	6.5
288.70746	3.2
310.43600	3.2
317.07007	2.8
325.25256	5.6
327.23322	2.8
333.24203	4.3
335.23575	3.9
343.26706	3.2
353.24844	8.1
365.28305	4.7
371.25702	16.7
381.31799	4.0
383.29355	3.6
389.26910	10.9
421.30756	3.6
445.29498	100.0
463.30392	20.6
495.34283	3.5
513.35834	6.3
515.38635	8.3
533.39807	7.0
551.40796	6.5
589.42377	4.7
607.43457	31.2
625.34448	4.6
625.44397	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3579
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.95294	5.4
53.03944	12.0
55.01869	9.0
55.05513	43.9
57.03415	9.4
57.07068	7.2
65.28429	5.0
67.05501	91.1
69.03418	7.2
69.07069	37.0
69.30139	57.9
71.04994	6.7
75.79182	4.8
79.05493	69.8
81.03413	7.1
81.07053	91.2
83.04964	8.7
83.08620	15.9
85.06537	6.9
85.55308	5.2
89.97485	5.6
91.05479	75.2
93.07047	68.5
95.04959	19.5
95.08605	60.8
97.06531	13.6
97.10159	13.1
105.07030	54.6
107.04948	7.4
107.08605	35.3
109.06503	7.7
109.10123	36.8
115.05469	11.4
117.07034	29.0
119.08572	52.0
121.06510	7.2
121.10152	22.8
123.11737	10.9
125.09615	8.2
125.98624	5.6
129.07011	30.4
131.08580	51.9
133.10114	43.4
135.08076	9.9
135.11688	21.6
141.07016	8.7
142.07791	8.8
143.08546	39.6
145.06563	9.1
145.10141	46.5
147.11731	16.2
154.07811	7.3
155.08580	22.6
157.10141	26.2
159.11703	23.1
161.13229	6.6
167.08606	12.4
169.10126	29.8
171.11700	21.2
173.13240	8.6
175.14740	6.6
181.10112	10.4
183.11725	21.2
185.13269	14.8
187.14870	11.7
195.11737	10.1
197.13249	12.7
199.14876	13.8
209.13202	7.1
211.14873	12.3
213.16374	6.7
220.66331	5.4
221.13185	6.9
225.12785	5.5
227.12726	6.9
227.17979	6.6
237.16348	7.8
245.15430	6.5
249.16565	6.7
275.20078	6.7
292.18909	7.4
343.26337	7.3
349.23160	6.5
353.24661	8.7
371.25894	13.8
389.27060	14.3
426.52771	5.5
430.00827	6.4
445.29407	61.1
463.31589	25.3
497.16089	5.3
508.51227	6.7
513.35645	19.8
515.38428	14.1
527.37231	7.2
533.40094	12.9
551.40979	10.9
607.43561	53.7
625.33795	6.9
625.44617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.05497	0.3
57.03435	2.9
59.41840	0.2
61.02924	2.0
69.03416	0.4
69.44907	2.2
71.04992	13.2
73.02888	0.9
75.04461	0.5
80.98908	0.2
81.03452	0.2
83.04979	0.9
85.02905	15.7
87.04456	0.3
89.03893	0.2
91.03944	0.8
92.02634	1.0
93.03390	1.1
97.02887	1.2
111.00756	0.4
111.04443	0.4
111.30686	0.2
111.82657	0.2
117.03388	0.5
121.02864	0.9
126.03032	0.2
127.03935	0.6
127.12875	0.2
129.05473	3.7
136.98914	0.2
139.03876	1.0
142.71675	0.2
145.02843	0.7
145.04861	0.4
147.06479	1.1
151.03923	1.3
151.04971	0.2
153.01819	6.9
159.01662	0.2
165.01840	0.7
177.05479	1.5
183.02893	0.3
201.05481	0.7
203.03325	0.4
217.04930	0.7
218.05927	0.3
228.04231	1.4
229.04944	3.1
245.04398	1.1
246.05185	1.7
253.63542	0.3
257.04510	2.1
260.03159	0.4
261.07571	0.4
273.03934	1.6
274.04694	3.8
284.02991	0.3
285.03937	4.4
287.05539	0.7
299.05557	0.3
302.04227	12.6
303.04453	0.3
317.06549	100.0
318.06882	3.4
329.06552	1.0
359.07550	1.0
383.07596	1.2
443.82135	0.3
461.10779	0.4
479.11588	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	625.176
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05501	0.2
57.03436	2.0
61.02918	1.6
68.99821	0.2
69.03419	0.4
70.03131	0.5
70.03539	0.7
71.04987	12.2
73.02897	0.7
75.04468	0.9
81.03428	0.3
83.04947	0.6
85.02902	14.0
87.04460	0.2
91.03935	1.0
91.05453	0.2
92.02623	0.4
92.05772	0.3
93.03394	0.7
95.47907	0.2
97.02879	0.9
99.04485	0.2
101.79003	0.2
109.02838	0.3
111.04460	0.5
121.02836	0.8
122.03577	0.3
126.03158	0.3
127.03917	0.6
129.05479	3.4
139.03903	0.6
145.02823	0.5
145.04959	0.5
147.04388	0.5
147.06503	1.0
151.03903	0.8
153.01828	5.8
161.64368	0.2
165.01855	0.8
177.05443	1.1
184.07454	0.4
189.59540	0.2
201.05428	0.3
203.03279	0.2
217.04984	0.9
218.05617	0.5
228.04214	0.9
229.04948	3.1
231.03310	0.2
235.24936	0.2
239.03339	0.2
245.04486	0.7
246.05246	1.5
256.03830	0.3
257.04398	2.2
258.70538	0.2
260.03174	0.5
261.07620	0.4
273.03885	1.4
274.04694	3.9
284.03137	0.4
285.03915	3.5
286.04654	0.5
287.05530	1.3
287.97357	0.2
288.06155	0.2
301.06958	0.6
302.04193	10.9
303.04587	0.6
317.06540	100.0
318.06891	3.0
329.06665	0.5
359.07834	0.5
383.07596	0.6
479.11697	0.9
487.15857	0.2
584.22986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	Isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.01255	0.1
53.03935	0.3
55.01861	0.2
55.05501	0.3
57.03436	3.0
59.05004	0.2
61.02918	0.2
65.03931	0.2
68.99818	0.1
69.03425	0.6
70.81500	0.3
71.01349	0.2
71.04987	19.7
72.05317	0.3
73.02909	0.4
74.68642	0.1
75.04478	0.9
83.04990	0.7
85.02899	21.5
87.04460	0.4
87.86571	0.1
92.02620	0.6
93.03391	0.7
97.02892	0.3
99.04444	0.3
109.02885	0.3
111.00791	0.2
111.04453	0.7
121.02850	0.7
126.03088	0.2
127.03919	0.2
129.05472	5.1
137.02310	0.3
139.03894	1.0
147.06532	0.9
151.03891	1.4
153.01814	4.9
163.03914	0.3
165.01855	0.5
171.02878	0.2
177.05464	0.3
183.02945	0.2
183.04507	0.2
200.04698	0.2
201.05482	0.6
203.03374	0.3
217.04959	0.5
218.05757	0.2
219.02959	0.2
228.04192	0.8
229.04953	2.4
231.02765	0.3
239.03397	0.2
245.04460	0.7
246.05199	1.4
256.03635	0.2
257.04474	1.9
260.03122	0.3
261.07651	0.3
271.06067	0.2
273.03909	1.3
274.04724	3.7
284.03140	0.3
285.03949	4.0
286.04413	0.3
288.06116	0.2
301.03534	0.3
301.07159	0.2
302.04187	12.1
303.04712	0.3
307.65967	0.2
315.05194	0.2
317.06528	100.0
318.06915	1.9
329.06488	0.9
341.06680	0.3
359.07697	1.6
383.07837	0.8
427.10150	0.3
445.11230	0.3
461.10678	0.2
463.12268	0.6
479.11826	13.3
480.11954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.4
58.61179	0.4
60.08145	0.7
61.02918	1.2
65.03933	0.7
67.05502	0.8
69.03418	0.9
70.06573	0.6
71.04597	0.8
71.04990	16.6
73.02901	0.9
75.04472	0.8
81.07049	1.0
83.04947	1.0
84.04479	0.4
85.02903	20.3
85.22311	0.4
85.89729	0.5
86.09718	3.6
87.42939	0.5
91.03962	0.6
91.05451	0.8
93.03412	0.9
97.02889	1.5
98.20722	1.1
109.02878	0.5
109.10205	0.5
116.62005	0.5
117.03371	1.2
118.13206	0.5
119.08494	0.5
121.02887	1.2
124.99997	2.3
129.05472	4.6
137.51073	0.5
145.02815	1.3
146.91383	0.4
147.04422	2.8
147.06482	0.9
148.99307	0.6
151.03896	1.5
153.01813	5.4
165.01785	0.6
177.05441	3.9
184.05791	0.7
184.07338	10.0
201.05554	0.7
205.04880	0.5
217.04999	0.8
218.05727	0.5
228.04182	1.4
229.04903	2.3
234.02782	0.6
238.08702	0.4
238.92519	0.5
245.04326	0.7
246.05231	1.5
257.04468	2.1
260.03262	0.8
273.04007	1.2
274.04736	3.3
284.03271	0.6
285.03979	4.5
286.04578	0.6
287.05487	4.5
301.03928	0.6
301.06927	2.7
302.04224	13.6
303.04617	1.0
317.06546	100.0
318.06888	2.4
329.06586	1.2
359.07568	0.9
371.31699	0.6
383.07709	0.9
389.68680	0.6
457.50592	0.5
461.10172	0.5
479.11810	8.2
547.27539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1541
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
51.02382	0.5
53.03925	1.0
55.01867	0.9
55.05503	0.6
57.03416	1.0
59.34942	0.6
60.04526	0.6
61.02937	0.6
63.02376	0.7
65.03930	2.2
67.05498	1.4
68.99767	0.8
69.03423	2.3
69.07076	0.6
70.06586	0.7
70.40672	1.8
71.04976	1.9
72.95548	0.5
79.05460	1.4
81.03405	4.8
81.07037	2.1
82.37497	0.4
83.04979	0.8
85.02898	5.3
86.09683	1.0
89.03902	6.2
91.05470	14.7
92.02633	1.3
93.03401	1.4
93.07011	2.4
95.04968	1.1
95.08603	1.7
97.02874	1.8
97.06493	0.6
98.20876	0.6
99.04388	0.4
103.05453	0.7
105.03350	0.8
105.07043	1.4
107.04955	1.0
107.08581	1.5
109.02861	2.0
109.10122	1.5
111.04456	0.5
117.03369	20.7
119.04929	23.8
119.08594	0.9
120.08107	1.1
121.02866	7.9
121.10139	0.5
122.09560	0.6
123.08112	0.7
124.05244	0.7
126.03153	0.6
127.03907	3.5
129.05429	0.5
131.08553	0.7
133.02852	0.7
133.10100	1.0
134.03578	0.9
135.04391	2.2
135.11623	0.7
136.06166	0.5
136.07536	0.7
137.02357	1.6
137.05951	1.1
139.03922	0.7
140.10732	1.6
145.02834	49.3
147.04398	65.5
148.04724	0.8
148.07544	1.8
149.05974	7.2
149.13216	0.5
151.03885	1.4
151.07576	0.6
153.00595	0.7
153.01804	12.2
157.10112	0.6
161.05988	0.5
163.03925	0.8
165.01820	1.4
165.05493	0.6
171.02968	0.7
172.03900	0.6
177.05455	100.0
178.05867	0.6
181.04903	0.8
183.02930	1.2
186.05479	1.6
187.07550	0.8
189.12357	0.6
195.06580	0.9
201.05499	1.2
203.03502	0.7
203.06937	0.5
213.05447	1.4
217.04996	0.7
228.04147	1.7
229.04887	3.9
231.06558	1.3
241.04865	1.4
245.04526	1.4
246.05229	1.7
253.08992	0.6
257.04483	2.7
258.05212	0.9
273.03931	2.1
274.04648	4.3
284.03226	0.6
285.03928	3.8
286.04669	0.6
287.05472	70.8
288.06058	0.9
291.08624	0.8
293.09106	0.7
302.04163	12.3
317.06531	95.6
318.06912	1.0
321.09698	7.2
339.10706	2.0
359.07703	0.8
362.26279	0.5
365.39319	0.5
479.11551	0.9
489.17975	0.6
593.19519	1.1
625.28351	0.9
627.54175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1545
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03927	0.3
55.01860	0.4
57.03446	0.3
61.02904	0.3
63.02364	0.5
66.63524	0.3
68.99799	0.5
69.03412	1.2
69.88074	1.8
71.04990	0.7
78.04702	0.3
81.03411	1.5
85.02902	7.6
89.03914	6.3
89.04401	0.2
91.05482	0.8
95.04942	0.6
97.02894	5.0
99.04440	0.4
105.03371	0.4
105.07111	0.3
106.04159	0.6
107.04948	0.6
109.02885	1.6
111.00816	0.6
111.04434	0.4
113.47653	0.3
117.03378	13.7
119.04952	0.3
121.02866	3.9
127.03920	1.2
133.02861	0.6
134.03596	1.0
135.04393	1.6
137.02321	1.0
137.05957	0.4
145.02841	33.8
146.03168	0.4
147.04361	1.6
149.05972	4.8
151.03961	0.4
153.01830	4.7
157.06465	0.5
163.03879	0.5
165.01866	2.1
177.05464	49.9
183.02876	1.0
185.05940	0.7
186.05493	1.1
195.06535	1.7
213.05435	1.5
229.04956	0.5
231.06413	0.8
241.04927	0.7
258.05188	1.5
269.04401	0.3
286.04736	0.4
287.05487	100.0
288.05801	1.0
299.05518	3.8
301.07001	0.8
302.04312	0.5
313.07089	0.5
317.06537	3.4
323.05402	0.6
329.06516	0.8
339.10791	0.5
353.06339	0.9
365.06506	0.9
377.06693	0.3
395.07684	0.5
411.25809	0.3
431.09619	0.5
625.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1546
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
50.10874	0.2
53.03946	0.3
53.60892	0.2
55.01862	0.3
55.71225	0.2
57.03441	0.3
63.02360	0.4
63.34069	0.2
65.03925	0.7
68.99789	0.9
69.03421	0.4
69.43530	0.8
69.43961	1.0
71.04983	0.6
78.04698	0.3
79.05488	0.5
81.03405	0.6
81.07047	0.2
83.04964	0.2
85.02901	1.7
89.03914	5.0
91.05466	2.8
91.84995	0.2
92.02643	0.3
93.03409	0.5
95.04969	0.5
97.02889	1.3
99.04477	0.2
103.05460	0.4
105.03394	0.4
105.07018	0.3
106.04157	0.3
107.04942	0.7
109.02865	0.7
111.00792	0.7
111.04427	0.3
117.03373	12.9
119.04938	5.8
121.02852	3.5
124.05216	0.2
126.03130	0.3
127.03912	1.0
131.04898	0.3
133.02844	0.3
133.06491	0.4
134.03606	1.1
135.04404	1.0
137.02332	1.2
137.05972	1.8
138.06360	0.3
145.02838	32.4
147.04399	20.2
149.05966	5.0
151.03909	0.7
153.00558	0.4
153.01817	6.8
157.06458	0.7
163.03918	0.4
163.07562	0.4
165.01833	2.1
165.05449	0.7
175.03943	0.2
175.07532	1.2
176.07913	0.5
177.05460	50.0
178.05769	0.4
179.03319	0.3
183.02916	1.1
183.04266	0.3
185.05954	0.6
186.05510	0.9
187.07503	0.4
189.05446	0.3
191.03502	0.2
195.06494	1.7
200.04561	0.3
201.05487	0.5
203.03299	0.3
203.06996	0.5
205.04994	0.3
213.05424	1.5
215.07077	0.3
217.04965	0.3
229.04987	1.2
231.06534	1.1
233.08127	0.4
241.04921	0.8
245.04329	0.5
246.05182	0.5
257.04480	0.6
258.05167	1.0
259.05997	0.4
261.07507	1.3
269.04428	0.3
273.03925	0.6
274.04657	1.3
285.03986	1.5
285.06873	0.4
287.05478	100.0
288.05832	1.0
290.45889	0.2
299.05551	0.5
302.04221	4.0
303.08594	0.5
317.06537	29.7
321.09781	1.3
321.28101	0.2
329.06409	0.5
339.10754	1.1
461.16428	0.2
479.11853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01871	2.9
57.03430	3.3
60.04527	3.3
61.02909	2.2
65.03951	2.1
66.59802	1.4
67.05495	1.7
68.99786	3.3
69.03423	10.0
71.04973	2.7
72.08136	1.6
73.02895	2.4
77.13601	1.5
79.05470	1.6
81.03420	10.9
81.07049	2.1
85.02902	24.0
87.00817	6.6
89.03912	4.4
91.05479	4.8
93.07034	2.4
94.04168	2.1
95.04940	1.9
95.08615	1.7
95.86081	1.5
97.02877	9.6
99.04443	3.7
103.05461	5.7
105.01855	5.1
105.07020	4.2
109.02865	8.6
109.06507	2.0
110.47765	1.5
115.05453	4.1
117.03373	14.6
117.06991	2.8
119.08552	4.4
121.02876	3.2
122.03624	4.3
127.03905	13.6
129.07014	5.5
131.04895	8.4
133.06474	3.6
137.02353	2.0
137.05968	100.0
139.93033	1.4
141.02106	1.6
143.04916	4.3
145.02831	26.6
145.04950	6.1
145.06471	2.7
147.04402	4.9
147.08049	4.1
149.05991	3.5
153.01819	5.8
157.06485	3.7
159.02853	5.5
160.05205	6.5
161.05994	10.3
163.07526	7.7
171.08090	1.8
175.07536	73.3
177.04028	1.3
177.05461	38.9
187.07526	19.4
189.09102	5.7
191.08559	5.3
199.07538	6.6
201.09117	2.6
202.07739	2.0
203.08560	3.4
205.08537	6.2
211.07356	2.0
213.05482	1.9
217.08661	2.3
219.08089	7.4
220.08841	2.0
229.71814	1.9
231.04854	1.9
231.08038	3.6
235.09576	9.0
247.07332	2.0
248.08356	2.6
251.10565	11.3
256.69647	1.6
259.07629	2.8
263.10760	2.6
271.09720	2.2
277.08551	2.8
279.09967	7.4
287.05475	80.9
291.10147	8.9
292.10980	2.7
293.08527	1.8
311.12772	19.5
317.06552	5.6
323.12781	14.7
325.14264	2.6
341.13788	10.1
347.12766	2.2
376.30743	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	624.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01863	1.9
57.03424	1.9
61.02916	1.0
61.91109	0.4
62.08576	0.6
63.03225	0.5
68.43303	0.5
68.99787	0.7
69.03428	7.4
69.07062	0.7
71.04987	2.2
73.02890	1.3
79.05496	0.8
81.03414	8.2
81.07041	1.3
85.02903	19.4
86.09702	0.6
87.00811	5.4
91.03915	0.5
91.05470	3.9
93.07028	1.3
94.04179	2.1
95.04955	1.0
97.02898	6.8
98.21572	0.7
99.04430	2.4
103.05475	2.3
105.01875	5.0
105.07032	6.5
107.04955	1.6
109.02873	7.8
109.06494	1.6
109.89626	0.4
115.03893	0.9
115.05450	3.2
117.01878	0.6
117.07024	1.8
119.04947	1.4
119.08558	2.4
121.06535	1.2
122.03643	6.2
127.03916	14.9
128.06204	1.4
129.01834	0.9
129.06996	1.5
131.04926	2.2
131.08588	0.7
132.05693	1.0
133.06465	4.8
137.05974	100.0
138.06363	0.6
141.07010	0.7
143.04912	1.0
144.05684	0.6
145.04933	6.2
145.06485	2.3
146.06068	0.5
147.02846	0.9
147.04398	2.7
147.08034	3.3
149.05981	3.2
151.03886	1.5
151.07541	1.4
155.04918	1.6
156.05777	0.7
157.06445	0.9
159.02904	5.4
159.08041	3.2
160.05240	1.4
161.05988	14.3
162.06744	1.4
163.07556	1.8
167.07066	0.5
173.06039	0.5
175.07547	23.7
177.05482	1.3
179.07085	1.1
179.08511	0.6
184.05103	0.8
187.07552	7.9
187.09157	0.7
189.07054	0.6
190.07758	2.4
191.07031	0.9
191.08536	8.1
193.08601	1.9
194.86304	0.5
199.07526	5.0
202.07678	1.2
203.06941	0.7
203.08606	2.2
205.06653	0.8
205.08621	1.3
207.08109	0.7
208.08742	0.6
213.03970	0.7
217.08527	1.2
218.07253	1.7
219.08043	11.1
220.08810	2.6
221.05980	0.6
229.08586	1.5
231.04951	2.8
231.08101	3.2
232.08920	0.7
233.09752	0.6
235.07530	1.4
235.11208	0.5
236.08302	2.6
237.09079	0.6
241.08545	0.6
247.07556	5.4
248.08296	2.0
249.09120	1.1
251.10664	20.8
251.13290	1.2
253.08627	1.3
259.07538	2.4
260.08286	1.3
261.09164	0.7
263.06836	0.5
263.10776	1.4
264.07794	2.5
265.08624	1.3
276.07877	1.1
277.08588	1.3
279.10144	15.0
279.13098	1.0
280.10968	0.9
281.08002	1.0
289.08420	0.5
291.10144	5.4
292.10962	0.9
293.11731	0.7
295.09583	0.5
296.10422	1.8
297.11401	0.5
303.10147	1.4
308.10498	1.0
309.11307	1.2
311.12772	48.4
312.13205	0.6
317.06509	4.0
321.11273	1.3
323.12756	14.1
329.13940	1.1
333.11188	1.7
335.12900	3.8
341.13983	3.6
347.12860	1.1
353.13953	2.5
365.13574	1.1
377.13916	1.0
383.12915	0.5
401.13812	2.7
419.14746	1.4
505.14713	0.9
523.15961	2.2
541.17017	1.3
559.17963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01476	1.0
53.03942	1.6
65.03943	2.5
67.05479	1.6
68.81313	0.9
69.07037	1.1
69.54127	4.6
69.54552	3.6
70.06555	1.7
79.05476	6.0
80.05011	2.3
81.07058	1.6
89.03904	2.3
91.05466	4.0
93.07045	5.8
94.06565	7.8
95.04966	1.8
95.08586	1.2
96.08108	1.5
98.21452	2.2
103.05460	6.0
105.05722	1.4
106.06561	1.3
108.04516	1.2
108.08100	15.5
110.09698	1.4
114.72901	1.0
116.04964	5.5
118.06534	3.7
119.07327	2.1
120.04487	7.5
120.08098	35.6
122.06018	11.2
122.09662	1.3
124.07599	1.5
132.08096	1.9
134.06041	2.4
136.07578	30.7
137.02271	1.3
138.05475	10.0
138.09131	2.7
144.04439	10.6
145.02806	2.3
146.06007	9.9
147.04349	2.2
148.07558	100.0
148.46774	1.1
149.07896	1.3
150.05515	4.3
150.09106	2.9
152.07037	2.1
154.63348	1.1
156.08041	1.0
160.03949	2.1
160.07669	1.1
162.05511	6.4
164.07074	2.6
165.43742	1.1
166.04990	7.2
166.08580	8.5
172.03926	43.2
174.05516	2.4
177.05458	4.2
184.09874	1.8
186.05519	1.2
188.07065	2.6
190.04973	21.6
197.10660	3.0
198.11377	1.2
199.12231	1.9
204.06538	25.3
207.09229	1.2
208.09801	3.2
209.10728	2.9
210.11183	1.4
211.08632	2.5
211.12326	2.5
211.47043	1.2
212.09471	5.4
213.10143	3.4
216.06645	2.5
221.10709	1.8
222.11479	2.6
223.08658	3.4
223.12384	3.1
224.09341	6.3
225.10223	10.9
226.10992	2.1
227.11725	6.3
234.07523	2.2
234.11278	1.2
235.08641	2.3
236.09470	4.5
237.10194	19.7
238.10979	3.0
239.08037	3.8
239.11784	6.4
241.09685	4.1
249.10336	2.2
250.07368	2.5
250.10968	2.0
251.08202	3.0
251.11749	13.4
252.08665	41.0
252.11490	2.0
252.12505	1.9
253.04984	2.5
253.09772	10.9
253.13515	2.5
254.05255	2.0
255.11298	11.0
261.10052	1.2
263.08145	1.8
263.11691	1.2
264.08768	3.7
265.09714	27.4
266.10498	3.4
267.11282	5.5
269.12799	1.6
270.05154	2.0
271.05594	1.8
271.10818	4.5
273.12372	2.4
278.06573	15.6
279.11267	18.2
280.08484	2.7
281.09409	2.1
281.12802	6.0
283.10712	9.1
285.07529	10.7
285.12234	2.2
286.07864	12.4
287.05325	2.5
289.09628	2.1
292.08209	2.4
293.09219	22.2
294.09903	4.4
295.10712	2.8
296.11560	2.0
297.12241	9.3
299.10461	1.9
307.10764	13.0
309.12323	3.7
311.10388	5.0
312.11026	4.4
313.11725	6.3
316.14291	2.3
323.09995	1.6
325.11758	14.6
327.13464	2.9
330.16226	2.5
335.10248	12.4
339.13391	7.5
340.10483	4.2
341.11285	15.2
353.11279	17.4
359.12292	3.0
360.17108	1.7
367.12735	1.9
372.16895	1.7
373.14008	2.9
385.13956	3.9
388.16559	1.5
390.18240	2.0
400.16455	1.9
411.11749	11.6
416.19601	1.8
418.17392	2.3
429.12894	2.9
432.19116	2.6
438.40817	1.1
442.17633	2.3
443.14557	3.6
444.19086	1.8
460.18610	15.4
470.17163	2.2
488.18176	59.2
489.18588	1.8
506.19205	9.2
507.19458	1.8
520.20435	4.0
530.19031	1.3
548.19916	3.0
551.18835	9.1
564.19977	5.0
574.18512	5.7
592.19226	44.5
593.19104	1.2
624.21222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
65.03950	2.8
66.90604	1.2
67.05487	5.4
69.03419	2.7
69.07068	3.0
71.56998	1.9
71.57390	1.5
76.03996	1.3
79.05512	7.0
80.05013	2.6
81.03412	3.6
81.07052	4.8
83.08611	1.8
85.02901	4.2
90.64393	1.2
91.05486	6.1
93.07037	8.6
94.06572	6.9
95.04964	3.2
95.08585	3.6
97.02829	3.1
103.05466	6.2
105.05725	2.1
105.06995	3.0
106.06544	1.6
107.07307	1.5
107.08584	2.3
108.08121	16.7
110.06016	1.4
116.04971	5.0
118.06548	3.0
119.08584	3.0
120.04474	8.2
120.07245	2.7
120.08097	39.2
121.10139	1.6
122.06018	12.1
122.09728	2.2
122.59939	1.4
124.07645	2.1
127.03906	3.2
134.05971	1.9
136.07573	29.5
137.05919	2.0
138.05499	10.0
138.09122	3.5
144.04468	8.6
146.06001	10.4
148.07562	100.0
150.05527	3.4
150.09087	2.4
160.03972	2.2
162.05507	4.8
164.07056	2.1
166.04955	5.6
166.08681	6.9
167.07153	2.8
172.03923	42.5
173.04195	1.7
174.05478	3.0
176.07059	1.4
177.05492	2.2
183.09221	1.5
184.07468	1.8
186.05591	2.1
188.07071	1.7
190.04974	21.8
197.10767	3.6
198.11584	2.2
204.06564	32.3
208.09753	3.1
209.10780	3.8
211.12363	2.0
212.09418	4.1
213.10266	2.1
216.06570	1.9
222.07738	2.7
222.11575	1.5
223.08635	2.8
223.12163	2.0
224.09338	6.5
225.10242	9.1
227.11700	6.4
234.07550	3.5
235.08614	2.3
236.09448	5.8
237.10222	26.2
238.10930	4.1
239.08095	2.7
239.11847	5.5
241.09738	4.2
249.10255	2.2
250.07315	1.7
250.11122	2.3
251.08128	3.2
251.11861	12.2
252.06171	2.6
252.08679	38.9
253.09697	10.4
253.13324	2.6
255.11348	10.5
261.10104	1.3
263.12088	2.0
264.08929	2.4
265.09720	24.9
266.10437	2.6
267.11307	5.5
271.10687	5.7
271.14203	1.3
277.09485	1.8
278.06567	11.9
279.11212	15.5
280.08533	1.5
281.09317	3.1
281.12885	6.2
283.10715	9.2
284.11627	1.3
285.12247	2.1
287.05585	2.0
292.08054	4.2
293.09198	23.6
294.09772	4.3
295.10663	3.6
296.11520	1.8
297.12402	8.5
299.10172	3.4
307.10675	9.0
309.12186	4.5
311.10217	5.4
311.13760	2.0
312.10852	3.3
313.11703	7.4
316.14523	2.0
316.94830	1.4
317.06522	1.4
323.25647	1.7
325.11877	12.5
325.44635	1.3
327.13339	3.1
335.10162	9.7
339.13416	7.8
340.10358	3.6
341.11334	15.2
353.11273	18.8
356.14362	1.6
358.15140	1.4
359.12292	2.7
360.16779	1.8
367.13000	1.6
372.17197	2.2
373.14157	2.4
385.13937	5.9
390.18024	2.0
411.11905	8.2
416.19888	1.8
418.17822	1.8
429.12863	4.8
442.17712	3.1
443.14450	3.0
444.18948	2.3
460.18637	20.1
470.17249	2.6
488.18167	57.1
489.18253	2.1
506.19025	10.7
507.19818	4.0
520.20270	3.1
524.21014	1.4
530.18365	2.3
548.20160	3.4
551.18842	9.4
564.19464	5.6
574.18066	8.2
592.19232	41.6
593.19141	1.9
624.33032	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.3
55.01869	20.7
55.05511	57.2
57.03437	19.7
57.07061	3.4
59.04990	2.5
62.00029	2.0
65.03938	8.1
67.05502	89.2
69.03420	7.1
69.07070	40.8
70.29709	5.4
71.04974	6.6
79.05493	74.0
81.03410	8.1
81.07058	76.0
83.04989	13.7
83.08626	21.7
85.06533	4.5
91.05483	76.7
93.07049	63.2
95.04964	18.7
95.08610	52.0
97.06535	27.6
97.10162	25.0
98.21349	2.7
99.08019	2.6
103.05468	6.0
105.07032	68.3
107.04970	18.0
107.08598	40.4
109.06525	14.2
109.10152	29.0
111.08096	8.1
115.05454	7.1
117.07018	40.2
119.08585	47.2
121.06493	5.1
121.10131	20.1
123.08075	7.4
123.11687	5.8
125.09615	16.9
128.06204	9.6
129.07008	27.5
130.07855	2.7
131.08578	43.4
133.06491	4.6
133.10123	35.8
135.08089	10.1
135.11700	8.3
137.09592	5.2
141.06989	14.9
142.07765	8.0
143.08557	27.2
144.09430	2.4
145.06476	6.4
145.10132	34.1
147.08046	6.7
147.11678	19.6
149.09615	14.0
149.13240	3.7
151.11192	2.1
153.07039	4.5
154.07791	5.0
155.08566	24.5
156.09274	2.3
157.10092	20.7
159.08041	8.5
159.11707	20.7
161.09633	4.8
161.13275	9.4
163.11174	5.6
165.06981	4.0
166.07698	3.0
167.08543	10.1
167.10646	2.2
168.09366	2.4
169.10127	26.0
171.11696	18.4
173.09601	6.1
173.11917	3.1
173.13200	11.1
175.11281	2.8
175.14877	3.4
177.12659	2.6
179.08531	4.2
179.14310	6.2
181.10121	13.1
182.11023	2.2
183.11713	18.7
185.09645	4.7
185.13260	13.5
187.11134	4.1
187.14812	7.1
189.11176	10.0
189.16281	2.2
193.10172	3.3
195.11736	13.0
196.12437	2.6
197.09572	6.0
197.13251	17.2
199.11047	2.3
199.14867	4.2
201.12860	2.3
207.11707	4.5
209.13258	9.2
211.14845	9.0
213.16365	5.0
215.14325	24.2
219.11644	2.5
219.17494	3.0
221.13216	5.9
223.14890	4.3
225.12984	2.6
225.16454	5.0
227.12784	9.5
235.14775	2.6
237.16319	4.9
239.17944	5.6
241.19469	2.4
243.17462	2.5
249.16385	2.5
253.15858	6.0
253.19695	2.4
257.19006	9.3
259.20480	3.1
271.16833	13.5
273.18631	4.5
275.17340	2.9
275.20105	43.7
289.18021	7.0
291.19412	12.7
299.23694	3.1
309.22232	2.6
315.23062	2.1
335.25995	10.3
337.21606	2.8
345.20618	6.7
349.23703	3.8
361.25085	2.2
363.21866	4.9
363.26694	3.0
379.29892	8.3
389.17795	2.7
403.19214	2.9
405.20966	2.2
405.26678	2.6
417.21033	2.7
419.22504	3.7
431.18317	3.2
432.18918	3.5
433.20819	3.1
445.20160	7.7
446.21036	6.8
447.17459	3.9
447.22330	3.1
451.32156	2.6
459.21616	3.1
461.19531	2.5
463.21399	2.6
475.21503	3.3
476.21750	6.7
477.22729	6.8
505.69305	2.5
507.19897	2.3
525.35797	14.4
531.38171	6.6
533.25464	17.1
535.23462	6.4
549.39252	5.6
554.35724	3.4
563.26642	27.2
564.26428	4.4
593.27258	3.1
594.24896	7.3
605.41986	19.4
623.28308	100.0
623.42865	99.7
624.28711	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	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28718	1.9
53.03936	7.0
55.01629	3.3
55.01874	45.4
55.05509	17.0
57.03420	3.3
57.07056	3.0
60.75962	1.8
65.03939	2.7
66.06866	1.7
67.05505	52.8
69.06724	3.1
69.07065	42.1
69.29078	4.1
69.29479	17.1
71.04984	3.8
78.93751	2.0
79.05072	2.6
79.05495	46.9
81.03410	7.7
81.07059	56.7
83.04980	12.7
83.08614	6.3
85.06534	3.0
91.05478	65.7
93.07045	38.5
94.67461	1.7
95.01322	15.7
95.04967	17.8
95.08598	37.0
97.06529	88.4
97.10151	4.1
103.05453	2.7
105.07030	87.2
107.04285	2.9
107.04941	24.6
107.08600	23.5
109.06502	6.3
109.10152	8.5
111.08068	3.5
115.05479	4.4
117.07014	21.0
119.08577	45.1
121.06487	5.2
121.10177	11.0
123.04465	2.7
123.08048	3.1
123.11710	3.0
124.02972	2.1
125.09624	3.4
129.06995	5.2
131.07640	1.7
131.08559	24.2
133.06415	1.7
133.10133	44.2
135.08034	5.9
135.11705	10.2
137.09634	5.7
139.07555	4.3
143.08543	5.0
145.06500	2.7
145.10104	20.3
147.08028	2.0
147.11688	20.1
149.09641	13.9
149.13232	4.7
151.11273	2.0
155.08588	2.3
157.10112	5.1
159.11687	13.4
161.13251	7.8
163.11172	7.4
165.09167	3.6
165.65869	2.2
169.10181	3.0
171.11688	4.1
173.13240	6.5
177.12749	4.4
179.14294	24.6
183.11690	3.6
185.13260	2.7
187.11224	5.2
197.13214	2.8
219.17474	2.2
229.19580	1.9
233.15269	2.4
239.18069	1.9
247.20615	7.9
257.19034	8.8
275.20059	100.0
289.17950	2.2
293.21069	6.8
312.85623	1.7
349.23627	3.9
530.18243	2.1
549.39960	2.4
575.47681	2.5
621.57361	2.2
623.27936	5.9
623.43170	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	623.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64770	0.3
55.01846	0.4
55.05501	0.8
56.96298	0.4
56.96568	5.8
67.05488	1.1
69.07053	0.5
69.71845	0.3
70.83257	1.1
71.95267	0.7
79.05483	1.3
81.07031	1.6
83.04996	0.4
91.05468	1.5
93.07052	0.8
95.04950	0.3
95.08591	1.3
97.06524	0.3
98.97609	0.6
103.33382	0.4
105.07013	1.4
105.56791	0.3
107.08613	0.8
110.97596	0.7
113.15826	0.3
116.98640	0.6
119.08563	0.9
121.10128	0.4
128.98615	1.2
129.06947	0.6
130.42496	0.3
131.08553	0.8
133.10217	0.5
134.99722	0.5
141.07060	0.3
143.08524	0.4
145.10086	0.5
146.99605	2.0
149.01244	0.8
157.01747	0.5
157.10106	0.4
161.01236	0.7
163.11276	0.3
165.00722	0.8
171.03255	1.3
174.62804	0.3
175.08638	0.3
179.02321	0.4
183.11734	0.6
185.04936	1.6
189.04401	1.1
198.35091	0.3
199.06389	2.6
203.05905	4.5
210.01997	0.7
211.06360	0.7
213.08069	0.6
217.07478	6.7
221.06931	0.5
223.02776	1.5
223.06499	0.6
223.08565	1.1
226.05110	1.3
227.09442	0.3
229.07449	0.4
231.09026	0.4
237.04327	2.5
237.07991	0.4
238.05241	0.5
239.09592	0.5
241.03723	0.8
244.06180	0.5
251.05878	0.4
253.11105	0.9
255.05431	1.0
258.04245	0.4
262.08737	0.8
265.07581	0.4
267.09003	1.0
271.12064	0.7
275.20108	0.9
279.09052	0.6
280.09845	2.2
281.10553	0.5
285.10129	1.0
293.10632	0.3
293.14111	0.5
297.09927	0.5
298.10883	1.3
305.14175	0.4
307.15720	1.4
325.16760	0.6
331.15726	16.7
333.19128	0.7
349.16846	100.0
350.16925	1.7
353.71951	0.3
367.17975	4.7
372.18445	12.4
373.18909	0.5
390.19519	0.5
449.53244	0.3
623.35956	22.4
624.36963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01862	5.4
55.05505	18.4
55.72209	1.4
57.03427	6.4
61.02701	1.2
61.02922	14.4
63.50077	1.6
65.03931	4.0
67.05498	34.8
69.03434	7.3
69.07063	12.6
69.22049	1.2
69.54419	2.1
69.54773	12.5
71.04990	3.8
72.79349	1.2
73.02918	6.8
79.05487	29.4
81.03399	9.0
81.07050	35.4
83.04977	4.5
83.08610	10.5
85.02907	12.1
85.06544	2.4
86.52457	1.5
91.03947	6.0
91.05471	42.5
93.07038	31.1
95.04953	8.9
95.08592	18.9
97.02886	9.9
97.06514	5.6
97.10150	5.0
99.04446	2.7
103.05435	2.4
105.07023	30.4
107.04941	9.4
107.08585	11.6
109.06512	4.3
109.10136	8.5
111.08027	3.5
115.05428	5.2
117.07005	25.8
119.04888	2.0
119.08569	20.0
121.06522	7.3
121.10159	8.0
123.08049	3.2
123.11662	2.5
125.09637	2.4
127.03943	3.1
127.07501	1.8
128.06227	9.7
129.06989	28.5
130.07770	2.7
131.04929	2.9
131.08557	31.9
133.06506	8.7
133.10115	11.3
135.08041	6.0
135.11757	3.3
137.09589	2.1
141.06952	12.8
142.07777	3.3
143.08546	26.8
145.06464	10.7
145.10106	16.1
147.08012	7.1
147.11676	6.2
149.09621	3.9
149.13263	2.3
154.07765	3.3
155.08530	16.8
157.06496	3.3
157.10109	13.2
159.08009	6.9
159.11679	8.5
161.09592	4.2
161.13284	2.6
163.11168	2.1
165.06981	3.4
167.08525	7.5
169.10106	11.7
171.08025	5.6
171.11768	7.0
171.12961	1.6
173.04510	2.2
173.09607	3.2
173.13269	4.2
175.11176	3.5
177.12651	2.2
179.08553	4.5
181.10057	7.4
183.08022	2.6
183.11707	7.8
185.09599	3.9
185.13277	5.5
187.11237	2.0
189.11305	1.6
193.10080	2.9
195.11636	7.5
197.09631	3.0
197.13284	6.8
199.11200	2.9
199.14806	3.9
201.12738	2.1
203.14278	1.5
207.11679	3.3
209.09637	2.1
209.13257	6.3
211.11156	2.8
211.14827	3.4
213.12801	3.2
215.14352	4.6
217.15804	1.9
219.11635	1.6
221.13240	3.5
223.14751	3.7
225.12697	1.9
227.14456	2.3
231.13766	2.1
235.14940	3.5
237.12730	1.7
239.14264	3.9
241.15849	2.7
243.13803	2.3
253.15982	2.9
257.15356	4.3
259.16992	2.6
320.67136	1.4
323.23581	4.6
333.22098	7.1
341.24603	7.7
351.23184	24.7
369.24213	34.7
387.25287	22.9
405.26328	2.3
417.26389	3.4
425.26843	4.8
437.99423	1.7
443.27899	100.0
444.28159	4.7
461.28952	66.9
462.29532	3.1
472.70361	1.6
485.29037	2.8
495.27167	2.6
503.29761	1.9
514.39014	1.7
550.11084	1.7
551.30115	3.1
587.32489	2.6
605.33124	2.0
623.34271	3.6
649.96161	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12611	2.1
53.03925	3.9
55.01881	4.7
55.05508	20.2
57.03430	8.8
61.02924	30.0
65.03929	3.9
67.05177	3.6
67.05505	37.0
69.03432	10.1
69.07069	14.9
70.83676	6.3
71.04996	4.5
73.02912	9.4
79.05494	39.4
81.03401	7.5
81.07059	36.9
83.04973	4.9
83.08614	12.7
85.02900	21.3
85.06540	3.4
85.63045	2.0
86.93047	1.9
91.03966	14.9
91.05480	49.2
93.07046	29.4
94.57526	2.0
95.04976	7.9
95.08609	22.2
97.02901	15.8
97.06527	6.9
97.10156	4.2
103.05446	3.6
105.07027	42.6
107.04945	8.2
107.08588	19.1
109.06494	5.3
109.10146	10.6
111.08070	4.3
115.05431	4.8
116.06174	2.6
117.07009	29.4
117.38318	1.9
119.08576	22.0
121.06491	8.7
121.10162	11.3
123.08052	5.5
125.09622	2.8
127.03902	3.9
128.06230	6.9
129.06996	36.4
131.08556	45.4
133.06511	5.3
133.10133	13.0
135.08060	3.3
135.11671	4.9
141.06956	17.0
143.08577	31.8
145.06471	9.8
145.10126	17.8
147.08072	6.0
147.11662	5.1
149.09633	6.2
149.13278	2.8
153.06955	2.3
154.07674	2.8
155.08553	32.6
156.09369	2.5
157.06470	3.2
157.10136	19.8
159.08046	5.7
159.11668	11.9
161.06012	2.5
161.09627	4.8
161.13231	3.1
165.07014	3.5
167.08580	10.5
168.09192	2.5
169.10109	17.6
171.08047	5.4
171.11700	13.2
173.09645	3.1
173.13271	4.3
175.11159	4.4
177.12787	4.4
179.08524	7.3
181.10132	14.5
183.11734	11.4
185.09547	3.4
185.13278	8.7
187.14861	3.5
189.12753	2.2
193.10109	6.5
195.11725	11.6
197.13229	8.7
199.11256	5.0
199.14795	3.8
205.10138	2.3
207.11726	7.2
209.13240	6.0
211.14824	5.2
213.12724	3.3
215.14323	9.4
221.13225	10.6
223.14709	9.9
225.12668	2.7
225.16411	2.5
233.13054	3.1
235.14851	6.8
237.12839	2.7
239.14294	7.6
241.15889	3.2
245.15421	3.1
249.16414	3.8
253.15912	6.8
257.15332	3.3
271.16678	5.0
275.16443	2.9
285.18390	3.5
305.22592	2.6
315.21091	2.9
323.23737	7.4
326.77905	2.2
333.22101	15.3
341.24722	8.7
351.23175	58.7
366.81564	2.2
369.24240	39.9
387.25223	21.8
425.26685	7.2
443.27896	100.0
444.28271	3.0
461.28909	62.0
517.84106	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.94956	1.3
52.34203	1.5
57.91972	1.4
67.05498	2.6
71.50017	3.3
79.05499	1.7
81.07093	2.7
91.05487	2.1
93.07031	1.7
98.15551	1.4
100.66172	1.5
108.26489	1.5
109.10133	1.8
117.35216	1.4
204.11258	1.6
206.75970	1.6
270.16061	1.7
290.28549	1.5
403.19797	1.7
404.90793	1.5
415.18903	2.4
429.20782	3.6
430.22073	1.8
433.23972	1.7
443.22449	3.0
444.23373	3.2
447.21725	3.8
448.22580	1.8
457.24011	2.4
458.24829	3.4
459.21869	5.6
460.22665	2.8
461.23822	2.4
462.20389	2.3
463.21664	1.9
471.21677	2.3
472.22906	4.0
473.23676	2.3
475.21130	2.8
476.22198	3.3
477.22787	2.2
485.23068	8.9
487.24835	5.8
503.24554	2.6
504.25397	1.8
517.25867	4.4
531.24146	3.5
545.25433	58.2
563.26373	17.9
605.28076	4.9
623.28510	100.0
624.28888	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.89624	0.6
55.01865	1.3
55.05506	3.3
57.03443	0.9
67.05501	5.9
69.07066	2.4
73.47144	0.5
79.05486	5.9
81.03396	1.6
81.07056	5.8
83.04990	1.0
83.08622	1.0
88.48752	0.6
91.05469	5.7
93.07037	5.7
95.04963	1.3
95.08606	3.0
97.06519	0.8
97.10188	1.0
103.05494	0.7
105.07044	4.2
105.84532	0.7
107.04981	1.2
107.08569	3.1
108.04407	0.6
109.10178	2.5
115.05484	0.9
117.07020	4.5
119.08589	3.7
121.06559	0.8
121.10154	2.0
123.08064	0.8
125.09641	1.3
128.06230	0.7
129.06984	1.9
131.08578	3.2
132.82069	0.6
133.06535	0.9
133.10118	4.3
135.08069	1.3
141.07104	0.8
143.08572	2.0
145.06503	2.7
145.10143	1.8
147.08162	0.8
147.11705	1.8
149.09669	0.8
155.08582	0.7
157.10152	0.9
159.08015	1.0
159.11746	1.7
169.10114	1.1
171.11740	0.8
173.13313	1.0
183.09201	0.9
183.11810	0.8
195.09239	1.9
195.11702	0.7
197.10736	1.6
197.13336	0.9
209.10710	5.4
210.11583	2.5
211.12372	3.0
211.14552	0.6
215.14330	1.2
221.10605	0.8
222.11337	1.4
223.12251	4.7
224.09521	1.8
224.13025	5.0
225.10287	2.7
225.13885	2.4
236.09520	1.1
236.13081	0.9
237.10226	3.9
237.13867	4.2
238.14647	1.8
239.15424	2.2
249.10385	1.1
250.10991	1.5
251.08075	0.8
251.11894	1.7
252.12616	0.9
263.08121	1.6
265.09427	0.8
265.13324	3.9
266.14145	0.7
271.16931	4.1
275.20105	1.9
277.09683	1.2
279.11383	0.9
289.18109	0.7
294.11008	0.9
296.11813	0.8
310.13351	0.7
311.13910	3.3
335.25958	1.2
340.14505	1.0
389.67813	0.7
399.19708	0.7
401.15594	0.8
417.16953	1.8
418.17844	1.2
419.18658	2.9
421.24042	1.1
431.19012	1.3
432.19775	0.8
433.20325	2.8
446.17160	0.8
447.17657	1.4
448.18558	1.1
460.19128	0.8
461.19724	2.0
463.21106	2.2
473.20062	0.8
475.21124	1.7
476.22363	2.3
477.22916	2.2
489.23364	0.8
503.24374	0.9
505.22339	1.2
520.24841	1.0
533.22235	1.1
534.22919	0.9
535.26440	3.5
548.23999	3.2
563.26459	34.0
564.26947	2.2
591.25946	8.7
595.29156	2.6
605.41174	1.0
623.28625	100.0
623.43860	4.7
624.28564	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81790	0.7
55.05510	1.3
67.05515	1.8
69.07067	0.9
79.05495	1.6
80.77874	0.8
81.07047	2.1
91.05478	1.8
91.18330	0.7
93.07021	1.9
95.04947	0.7
98.21540	1.5
105.07030	1.1
107.08551	1.1
109.33990	0.8
119.08581	0.8
131.08656	1.0
209.96033	0.7
246.39784	0.7
289.17847	0.9
341.62997	0.8
383.02081	0.8
389.17691	1.2
390.18549	1.3
391.19382	1.3
403.19412	2.0
404.20593	0.8
405.21136	1.7
407.22546	1.1
415.19580	1.2
416.20209	0.8
417.16629	1.5
417.21210	1.7
419.22522	2.6
429.21292	0.9
430.17334	1.3
431.17969	3.6
433.20227	6.0
443.18716	2.2
444.19406	2.3
445.19547	4.2
446.20761	3.3
447.21790	5.4
458.20871	7.4
459.21552	4.7
460.22757	5.1
463.21243	2.6
472.22806	1.0
473.23438	2.4
476.22437	1.6
477.22968	1.7
485.23499	1.2
491.24310	1.1
503.20789	1.0
504.24637	0.9
505.22128	1.0
518.23260	2.8
521.22034	0.9
532.24481	1.1
533.25458	7.8
535.27344	0.9
545.25256	4.3
546.26263	1.0
563.26617	8.5
573.24933	0.8
605.27576	11.2
623.28589	100.0
624.28912	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96938	0.9
63.76271	1.0
67.32582	0.8
69.74199	2.4
69.74607	4.6
80.62303	0.9
83.10422	1.0
97.60611	0.9
107.74893	1.0
207.28238	1.1
377.17490	2.2
378.18472	1.2
389.18155	1.8
390.18591	2.1
391.19104	7.7
392.20020	3.6
393.20966	1.5
399.15961	1.3
400.16724	2.2
401.17664	2.4
402.19431	1.3
403.19470	2.3
404.20587	2.1
405.20889	6.9
406.21329	7.1
407.22287	15.5
411.16800	1.7
413.17865	3.6
414.18341	4.3
415.19174	8.2
416.20047	1.4
417.21234	1.9
419.22507	3.0
420.23065	2.7
421.23895	12.7
422.24414	2.7
427.19327	3.6
428.20062	4.0
429.20926	18.8
430.21841	2.2
431.22632	2.1
433.19714	2.7
433.24701	2.0
434.20520	1.4
442.21658	2.2
443.22678	9.5
444.23550	5.0
445.20206	3.5
447.17551	1.8
457.19220	2.1
457.24133	4.2
458.25064	8.3
459.21744	7.8
460.22491	3.0
461.18948	5.3
462.20724	3.2
463.21347	1.4
470.21112	1.7
471.21954	1.6
472.22845	6.7
473.23663	1.5
474.19849	2.0
475.20959	6.6
476.22168	4.3
477.22900	3.9
485.23587	15.4
486.24976	1.8
487.21149	2.1
488.22031	2.7
489.22845	3.4
498.20404	1.9
499.21237	4.0
500.21878	2.5
502.23737	2.4
503.24490	7.3
513.22742	2.2
514.23706	1.7
517.26123	6.7
535.26947	3.7
545.25446	91.1
546.25940	3.6
564.26971	2.3
573.24933	19.6
591.25519	2.4
605.27527	100.0
606.27850	4.0
623.28583	78.2
624.28461	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	622.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57646	0.5
70.69093	0.5
87.64586	0.5
98.20781	1.3
111.44539	0.6
132.08051	0.6
144.08022	0.8
156.06796	0.6
157.08890	0.5
173.10704	0.6
183.00797	0.5
195.09212	0.7
197.10782	1.0
209.10776	1.6
210.11420	0.9
211.12372	0.6
221.10799	0.9
223.08713	0.9
223.12222	1.2
223.71454	0.7
224.12996	0.8
225.10213	0.7
225.13834	1.2
233.10695	0.7
235.12207	1.2
237.13988	1.1
239.15376	0.7
251.15489	0.9
261.10022	0.7
281.13269	0.7
287.10818	0.6
289.12958	0.6
298.13474	0.7
337.12146	0.7
338.12866	1.1
340.14294	0.8
359.13031	0.9
375.16217	1.2
376.17459	0.8
386.14145	0.6
389.17801	2.3
390.18875	1.0
391.19382	1.6
402.14594	1.2
402.19308	0.9
403.14804	2.7
403.19901	1.4
405.20859	1.8
415.15292	0.9
416.16272	0.6
417.16754	3.3
418.17380	3.9
419.18558	2.0
429.17419	0.9
430.18082	0.8
431.18649	2.3
432.19980	3.0
433.20355	4.1
434.21078	0.8
436.19180	1.0
444.16315	0.7
445.15784	3.3
446.16193	3.3
446.22186	0.7
447.18127	8.0
447.22580	3.4
448.19043	2.5
449.23587	0.9
452.44336	0.6
459.18167	2.3
460.18243	3.6
461.19345	9.7
462.20413	4.5
463.21362	1.1
466.20471	0.7
473.19583	1.1
474.20331	2.3
475.21277	25.8
476.22006	10.8
477.22977	8.1
487.21588	1.2
488.21658	1.8
489.23111	3.6
501.19244	0.9
503.20334	5.1
505.22620	0.8
507.23691	2.2
515.20966	0.7
519.24670	1.1
520.21027	0.8
521.21838	1.6
533.21954	0.9
534.26654	2.6
535.23126	13.8
536.23712	3.0
545.25690	0.9
547.23315	3.2
548.24261	2.1
549.24969	2.0
561.24854	1.6
562.25494	16.8
563.26514	16.6
566.28809	1.3
575.22839	1.5
578.25299	0.7
579.26019	2.1
590.25085	7.4
591.25928	1.3
593.23615	6.7
594.28394	4.6
605.27173	1.2
607.25500	5.9
622.27759	100.0
623.28461	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	621.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64142	2.7
55.05505	25.5
57.03434	3.6
59.16681	2.7
67.05495	24.6
67.06026	2.6
69.03424	4.3
69.07056	7.7
69.31783	4.4
69.32121	25.8
70.06570	3.1
79.05487	25.5
81.03412	4.2
81.07050	22.6
83.04950	5.4
83.08617	11.6
85.02894	6.5
87.24387	2.4
91.03952	3.4
91.05483	11.3
91.94337	2.3
93.07053	12.3
95.05000	2.8
95.08615	5.6
97.10150	21.0
103.05464	8.5
105.07023	13.0
107.08595	9.2
109.06533	6.0
109.10162	7.5
117.06992	15.3
119.08577	9.3
121.10107	2.8
125.09649	16.4
128.06218	5.4
129.07016	10.8
131.08562	15.5
133.06454	3.1
133.10143	6.3
135.07997	4.5
141.06964	6.8
143.08563	8.5
145.06413	4.0
145.10118	6.1
147.08047	2.7
149.09619	2.7
155.08589	6.0
159.11668	4.1
163.11174	3.1
169.10141	4.9
171.11575	2.7
187.14795	7.3
189.11238	9.0
193.04962	3.5
195.11823	3.8
197.13278	8.2
207.11855	3.1
212.72504	2.5
215.14296	54.0
217.64993	3.0
227.12651	6.1
241.12097	2.7
256.26385	2.6
271.16779	3.2
339.23242	3.2
349.21539	6.8
367.22641	11.9
385.23666	7.6
441.26343	100.0
442.26715	4.5
459.27292	31.6
561.24701	5.3
621.26605	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	621.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.6
53.38634	6.1
55.01868	10.8
55.05518	47.0
57.03440	10.0
67.05504	80.2
69.03442	15.2
69.07060	22.1
70.93623	6.1
71.05013	9.0
71.19376	15.6
73.02922	7.5
79.05486	56.7
81.03421	24.7
81.07066	41.5
83.05003	12.9
83.08615	25.2
85.02896	21.2
85.06548	8.6
91.05473	52.7
93.07037	45.3
95.04967	12.6
95.08587	32.4
97.02905	21.8
97.10193	33.7
99.04476	10.3
100.91994	7.3
101.36842	6.2
103.05447	18.7
105.07056	34.7
107.08595	29.3
109.02863	13.9
109.10169	16.2
109.65227	6.7
117.07010	48.8
119.08563	24.9
121.06628	6.2
121.10170	11.2
123.08051	9.5
125.09633	29.1
127.03936	15.9
129.07013	32.0
131.08574	39.0
133.06464	10.3
133.10095	16.0
135.08064	8.1
141.06953	20.0
143.08557	14.3
145.06418	14.5
145.10159	17.4
147.11671	6.9
155.08495	12.2
157.10072	14.7
159.08028	12.2
167.08600	11.3
169.10103	11.1
171.11746	11.6
187.14917	8.5
189.11214	22.8
193.10249	7.8
195.11723	6.8
197.13293	13.7
213.12852	12.5
215.14305	61.6
227.12773	10.7
231.13907	7.5
241.12274	8.1
271.16919	8.0
275.63638	6.0
322.07700	8.3
357.24490	8.0
367.22684	21.3
385.23630	25.2
403.25302	7.4
441.26288	79.0
459.27393	100.0
567.29358	7.3
603.31665	8.8
621.32355	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23719	2.8
55.05508	24.8
55.76630	2.8
57.03426	3.4
61.02916	5.5
67.05490	20.3
69.03416	5.0
69.07060	8.0
70.02412	17.3
75.04658	3.0
79.05488	25.7
81.03410	8.2
81.07043	21.3
83.08603	8.3
85.02891	7.7
86.44989	2.8
91.05476	14.8
91.17664	3.2
93.07033	14.1
95.04974	3.9
95.08578	8.8
96.49359	4.2
97.02851	4.7
97.10165	23.1
98.21533	2.8
103.05462	8.4
105.07043	18.2
107.08583	10.6
109.06515	5.4
109.10149	6.9
115.05383	3.6
115.55498	2.9
117.07013	19.4
119.08557	10.1
121.10130	4.1
125.09622	18.2
129.07007	10.1
131.08539	17.8
133.10126	3.9
135.08044	6.0
141.06960	4.6
143.08591	6.6
145.06479	5.9
145.10115	6.6
155.08548	6.7
157.10147	4.9
159.11694	5.9
169.10152	7.2
171.11656	4.9
181.10101	3.9
183.11760	3.9
187.14807	8.4
189.11223	9.7
197.13344	7.0
215.14308	69.2
227.12766	5.8
349.21814	5.6
367.22684	10.9
385.23776	8.2
441.26340	100.0
459.27405	67.0
459.33698	5.3
561.25104	8.7
567.29425	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.02456	0.3
51.91444	0.3
52.55175	0.3
55.05497	0.4
67.05495	1.3
69.77408	1.9
74.75529	0.3
79.05475	0.7
81.03417	0.4
81.07050	0.6
91.05477	0.6
93.07041	0.7
95.08589	0.6
107.08627	0.5
117.07090	0.5
119.08563	0.4
130.65848	0.3
131.08582	0.6
145.10135	0.6
146.27789	0.3
183.63982	0.4
216.96451	0.3
273.18420	0.4
275.03360	0.3
275.19937	0.4
298.13589	0.6
323.14212	0.6
343.54880	0.4
373.14584	0.7
375.16241	1.0
387.16202	0.6
388.16916	1.0
389.17548	3.1
390.18317	1.5
391.19232	0.8
401.17654	1.1
402.14120	0.4
402.18506	1.1
403.19400	5.0
404.20047	2.1
405.20718	2.8
415.19421	0.9
416.16199	1.2
416.20697	0.8
417.16229	4.2
417.21143	2.0
418.17059	0.6
418.21469	1.1
419.22427	7.2
420.23181	1.1
429.16644	0.5
429.21509	0.4
430.17929	1.3
431.18146	6.6
431.23596	0.6
432.19012	2.9
433.20126	2.8
443.18668	0.7
444.19525	0.7
445.20038	5.8
446.20956	6.5
447.21838	10.0
448.22162	0.7
457.20486	0.5
458.21463	0.4
459.17197	1.1
459.21887	2.2
460.18182	0.5
460.22983	0.9
461.19434	1.7
463.21246	0.7
473.19449	1.3
473.24167	1.1
474.20416	6.2
475.21323	8.0
476.21851	0.5
477.22827	0.5
478.23230	0.4
486.20279	0.4
487.21283	2.9
488.21594	0.9
491.19916	1.6
501.23239	1.7
502.23764	0.5
505.26703	1.5
518.23010	0.7
519.20801	0.6
529.22607	0.6
533.25543	13.8
534.26184	0.9
546.22443	0.4
561.24951	22.4
562.25140	0.9
589.24310	1.2
593.27545	4.3
621.27032	100.0
622.27344	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.13550	0.4
64.24106	0.3
71.49771	0.8
78.16409	0.4
87.86181	0.3
100.36277	0.3
138.64847	0.4
175.44954	0.3
268.73471	0.4
272.11575	0.4
312.15012	0.3
373.14581	0.5
375.16452	0.5
387.16342	0.8
388.16968	1.2
389.17450	3.0
390.18420	1.2
391.19232	0.9
401.17896	1.3
402.18793	0.9
403.15216	0.4
403.19412	3.8
404.19940	1.7
405.20752	2.4
415.19608	0.6
416.15903	0.8
417.17041	2.8
417.20987	2.7
418.17657	1.2
418.22177	0.8
419.22369	6.3
420.23029	0.6
429.16559	0.6
430.17905	1.2
431.18222	6.0
432.19177	2.6
433.19934	2.2
443.18417	0.5
445.20236	5.1
446.20917	5.6
447.21741	8.9
448.22409	0.6
459.22858	2.5
460.23029	1.0
461.19727	1.2
463.21643	0.5
473.19208	0.8
474.20258	6.1
475.21228	6.6
476.21500	0.5
487.21371	2.4
488.22183	0.8
491.20938	1.2
501.22891	1.5
502.22766	0.5
505.25647	1.2
518.23322	0.6
519.19672	0.7
529.22498	0.6
533.25616	11.1
561.24957	18.6
562.25427	1.3
589.24133	1.2
593.27557	4.5
621.27057	100.0
622.27216	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	621.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80563	0.5
69.30345	5.4
71.75664	0.5
81.06979	0.5
82.23177	0.5
111.97937	0.5
159.37462	0.5
195.08971	0.7
197.10695	0.6
209.10672	0.8
221.10629	0.7
236.64160	0.5
247.95572	0.5
271.89001	0.5
278.53500	0.5
286.13385	0.6
338.16541	0.5
362.16272	0.8
373.14563	0.9
374.15253	0.8
375.16058	1.8
387.16028	2.2
388.16870	2.4
389.17648	6.7
390.18423	2.9
391.19135	1.5
401.17770	2.1
402.18976	3.0
403.19431	10.2
404.20053	5.6
405.20587	3.1
414.18854	0.7
415.14816	1.1
415.19254	1.8
416.15457	2.8
416.20209	1.7
417.16925	6.3
417.20889	6.8
418.16815	0.6
418.22073	2.3
419.22324	12.5
420.23157	0.8
428.16617	0.7
429.16541	1.2
429.21521	1.0
430.17035	2.7
430.22751	0.7
431.18130	11.9
431.23532	0.9
432.18970	4.0
433.20020	3.7
443.18494	1.9
444.19675	0.7
445.20221	11.9
446.20978	7.5
447.21817	17.7
448.22018	0.7
459.17627	2.6
459.22028	3.2
460.18738	2.0
461.19839	1.5
463.21851	0.6
473.19086	1.7
473.24063	1.2
474.14954	0.4
474.20410	15.6
475.21286	20.6
476.21378	0.9
477.22717	0.6
487.21402	5.7
488.22363	2.9
491.20761	1.0
501.22961	2.6
502.23529	1.0
505.26431	2.7
517.22443	0.9
518.23004	1.4
519.20532	0.8
529.22412	0.8
533.25562	13.4
546.22821	1.4
561.24957	98.9
562.25281	3.7
589.24280	2.7
593.27582	4.7
621.27045	100.0
622.27112	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	621.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05513	1.1
55.25141	0.6
56.01362	0.8
57.03434	1.5
61.02905	0.9
62.80158	0.9
66.29673	0.7
67.05499	2.4
69.03424	1.8
69.07063	0.9
69.46523	4.2
69.46954	2.7
70.06589	1.1
71.01335	1.0
72.08157	0.8
78.04726	1.0
79.05486	1.1
81.03423	0.9
81.07046	2.5
84.08131	0.8
85.02900	8.0
85.06522	1.0
86.06068	2.1
86.09748	0.8
89.03905	8.2
91.05475	2.6
93.07047	2.4
95.01311	1.6
95.04986	1.4
95.08628	1.6
97.02895	2.5
103.05485	0.8
105.07030	2.2
107.05002	1.0
107.08607	1.3
109.10160	1.9
115.05456	2.2
116.10728	2.4
117.03372	23.1
117.05475	3.9
119.04853	0.8
119.08549	1.4
121.10172	0.8
127.03931	1.5
133.10126	1.4
134.03632	1.8
135.04454	2.2
136.07512	0.7
137.06027	1.8
141.01808	4.6
141.19574	1.0
145.02840	49.4
145.10129	1.3
146.03546	1.4
147.04387	1.7
149.05972	7.8
151.03906	18.5
151.05104	0.9
152.65796	0.7
157.10074	1.0
160.05176	1.8
161.05980	9.0
173.05862	0.7
175.07579	4.0
177.05464	100.0
178.05780	1.5
186.05478	1.6
186.13571	0.8
189.05482	2.2
190.02663	1.0
195.06494	1.4
201.05484	2.8
203.07011	0.9
205.04951	9.4
205.06670	1.1
212.16415	0.8
225.05533	1.0
225.09132	2.2
229.05000	2.5
236.04695	1.2
240.07831	1.9
247.03807	1.4
247.06010	8.4
250.06223	0.9
251.06999	4.4
251.09291	1.1
253.04980	1.1
253.08708	1.2
267.48315	1.0
268.07291	10.4
269.07858	1.0
270.08716	1.3
279.06433	6.6
283.09628	10.8
285.11279	1.2
296.06674	3.9
303.08667	1.4
311.09122	47.7
321.09656	8.9
329.10144	7.6
344.24228	1.4
345.24490	2.0
353.09778	8.8
371.11203	1.1
403.13684	1.1
409.59909	0.9
427.12863	1.7
445.14960	1.0
487.12183	1.0
556.92169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.05514	22.3
57.03440	13.6
61.02316	8.2
67.05509	58.3
69.03427	43.1
69.07064	19.6
70.10700	43.3
79.05495	42.9
81.03414	36.2
81.07063	75.9
83.08647	9.7
84.46407	8.2
85.02901	100.0
91.05480	51.4
93.07026	55.0
95.04983	20.3
95.08583	50.1
97.02900	34.0
99.04451	10.0
105.07041	46.0
107.08618	28.6
109.10138	18.7
117.07046	21.0
119.08618	26.0
121.10151	13.6
123.11645	12.1
127.03901	47.8
127.41739	8.1
129.06969	13.1
131.08588	29.7
133.10133	27.2
135.11664	12.6
143.08620	16.4
145.04970	38.3
145.10124	20.7
147.11746	13.4
159.11728	24.3
161.09590	9.5
161.13327	16.9
171.11761	9.8
173.13339	12.7
185.13164	10.6
203.14391	9.8
261.22055	13.6
341.24850	9.2
369.24274	21.3
387.25320	38.8
394.29465	9.6
405.26355	23.2
518.67047	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	620.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01625	1.3
55.01868	17.8
55.05505	10.1
57.03432	4.8
57.07072	1.5
58.04742	0.8
61.02900	2.0
65.03928	1.3
67.01866	1.1
67.05500	44.1
69.03426	38.3
69.07063	9.0
69.37414	0.8
71.04991	11.0
71.31772	1.9
73.02921	8.9
79.05489	29.9
81.03412	38.4
81.07051	48.4
83.04972	2.8
83.08604	5.3
85.02900	17.2
85.06516	0.9
87.04442	1.5
91.05476	17.6
93.07034	33.6
95.04953	5.7
95.08601	41.5
97.02881	35.2
97.06518	2.8
97.10159	2.2
99.00794	1.1
99.04452	54.7
101.02355	4.0
105.07017	14.1
107.08595	18.4
109.02871	38.7
109.06505	1.2
109.10148	20.2
111.04430	9.3
115.03881	1.0
117.07004	6.6
119.07793	1.1
119.08575	10.8
121.10146	17.8
123.08114	1.1
123.11707	12.0
125.77753	1.0
127.03906	100.0
129.05450	2.1
129.06990	1.0
131.08549	10.8
133.10130	8.4
135.11682	12.3
137.13248	3.6
143.08594	1.0
145.03905	1.4
145.04953	16.4
145.10126	8.4
147.11690	7.3
149.13246	7.6
157.10091	2.1
159.11726	6.4
161.13245	6.3
163.11143	1.5
163.14822	3.4
171.11641	1.9
173.09654	1.3
173.13268	5.8
175.14804	1.8
177.16347	1.6
179.14226	1.8
185.13254	1.9
187.14807	3.5
189.12706	1.4
195.13759	1.2
199.14896	1.1
201.16373	1.5
205.15933	0.9
233.22665	1.0
241.19443	2.9
243.20988	5.9
259.20554	6.6
261.22134	22.0
277.21658	7.8
279.23145	6.0
283.01740	1.4
289.21655	1.2
297.32983	1.0
303.23041	1.5
315.23248	1.1
323.57364	1.1
329.24719	1.2
341.24707	2.1
345.24127	1.3
351.22861	1.2
353.53516	1.0
357.24158	2.8
369.24036	5.3
387.25284	4.1
405.26270	8.4
423.27405	28.5
424.27618	1.3
523.27301	1.0
550.17847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24352	0.9
53.03948	1.4
55.01860	1.1
64.27563	0.9
65.03967	1.1
69.03422	4.7
69.97731	4.7
78.04719	2.8
79.05487	6.3
81.03420	5.9
81.07048	1.3
83.11583	0.8
85.02906	11.0
87.00854	2.5
91.05482	3.8
95.04971	2.9
97.02882	3.7
99.04461	1.7
103.05460	3.0
105.01907	1.4
105.07036	5.3
107.04946	12.9
109.02884	3.8
115.05454	5.0
117.06966	1.2
118.04209	2.0
119.08575	2.3
121.06467	2.3
123.04433	6.4
124.05223	3.0
125.05997	1.6
127.03921	8.7
128.06224	3.0
129.07019	6.2
130.04181	1.3
131.04921	3.8
132.05739	2.9
133.06480	4.0
137.05939	1.7
141.07014	1.8
143.04916	1.4
144.05688	1.1
145.06450	1.9
147.04457	1.3
147.08078	3.2
151.03925	1.6
152.04655	2.3
153.05473	2.3
155.04964	1.0
156.05705	1.9
157.06517	1.3
159.02873	2.3
159.08093	6.0
160.05273	1.7
161.05975	7.7
166.06483	1.0
167.07037	100.0
168.05690	1.2
169.06499	1.3
171.08020	1.5
172.05176	1.9
175.07547	24.4
176.04689	1.9
177.05437	1.9
178.07748	1.5
187.07555	20.5
189.06973	1.3
189.09154	1.4
190.07785	3.4
191.07018	11.7
193.08614	1.7
199.07571	9.2
201.09193	1.4
202.07837	2.9
203.08595	3.6
206.07320	2.0
209.08141	3.1
215.08606	2.4
217.08528	1.4
218.07265	3.0
219.08069	3.3
220.08914	1.2
221.09605	4.7
229.06462	1.0
231.08101	4.0
232.08885	2.8
233.09584	4.8
234.06815	2.4
235.07553	3.1
237.09120	1.3
246.06833	3.1
247.07617	1.7
249.09041	4.5
250.09862	1.1
251.07138	2.2
259.07538	1.5
260.08432	2.4
261.09070	7.2
263.06982	3.1
265.08533	1.9
274.06238	1.1
275.06973	1.8
277.08630	2.8
278.09308	2.8
281.11688	8.6
283.09750	1.1
289.08514	7.3
290.09354	2.6
291.10178	1.2
293.11807	2.9
294.08783	1.0
306.08780	3.4
307.09549	1.9
309.11191	7.7
321.11185	13.7
322.11813	1.5
323.01093	1.3
323.09158	1.7
325.14288	1.4
325.40359	1.4
326.11548	2.1
333.11749	1.2
338.11237	1.4
341.13821	32.0
353.13821	28.0
365.14209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.6
55.05496	9.8
56.28178	2.1
57.07057	8.4
59.04990	3.3
64.41880	2.0
65.03930	3.4
67.05505	22.4
69.03409	9.2
69.07054	7.0
70.06572	6.8
71.58011	2.7
71.58395	3.2
79.05492	23.7
81.03407	3.1
81.07046	28.2
83.04958	5.2
83.08608	4.4
85.02894	3.2
85.06521	5.0
91.05476	28.3
93.07041	37.1
95.04938	16.3
95.08595	26.7
97.06512	7.2
103.05480	2.8
105.07027	47.9
107.08602	23.6
108.05706	2.4
109.06501	14.9
109.10155	18.5
115.05431	3.3
117.07011	9.9
119.08582	34.2
121.06486	4.4
121.10127	25.1
122.07322	2.1
123.08063	25.3
123.11658	4.6
125.05959	7.1
125.09608	3.4
128.06206	7.9
129.06950	8.9
130.07796	3.0
131.08569	15.9
133.06474	3.8
133.10115	29.5
135.08031	15.4
135.11678	7.7
137.09618	13.9
139.11130	3.3
141.06921	5.4
142.07753	11.4
143.08568	26.6
144.09326	3.1
144.96915	2.2
145.10120	29.4
147.08049	16.7
147.11668	7.5
149.09596	9.2
151.07536	30.8
151.11107	5.4
153.09044	2.8
155.08545	7.9
156.09323	6.0
157.10098	25.0
158.10898	4.4
159.08015	3.2
159.11687	19.4
161.09599	7.8
161.13243	6.6
163.11176	14.6
165.07011	3.7
165.09099	36.7
167.08511	4.5
169.10109	14.6
170.10907	4.6
171.11691	17.4
173.09593	4.9
173.13229	9.7
175.11201	4.4
175.14842	5.1
177.09085	3.8
177.12708	2.4
179.08505	5.3
180.09227	3.2
181.10153	4.9
181.12227	17.5
182.10902	2.8
183.11691	9.3
185.13275	7.0
187.11208	5.7
187.14838	3.0
189.12714	8.7
191.14333	3.6
193.10054	3.9
194.10844	2.9
195.11708	6.6
197.13222	9.8
199.11160	3.0
199.14816	6.7
201.12721	3.3
203.14346	21.3
207.13751	12.9
209.13263	5.6
209.15289	4.0
211.14857	5.2
213.12891	2.5
215.10619	2.5
215.14325	2.5
221.13319	5.1
221.15334	100.0
223.11163	2.4
223.14809	3.7
225.16377	4.7
231.13980	2.2
237.16643	2.9
239.17889	3.1
251.17854	3.1
271.16837	4.5
286.19312	14.5
287.20212	4.6
299.19977	3.8
300.20795	3.1
312.20782	4.1
359.67548	5.1
409.27466	3.8
537.35681	7.2
599.40295	8.5
612.12006	2.4
617.43042	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3501
Annotation	Cussovantoside C
Peak:m/z	Relative Intensity
53.03932	0.6
55.05502	1.1
56.67574	0.5
58.82371	0.6
67.05492	2.2
69.03416	1.0
69.07053	1.6
70.06577	0.5
71.57948	1.2
79.05495	1.6
81.03412	1.1
81.07049	1.6
83.04986	0.7
85.02898	0.9
91.05466	1.1
93.07066	1.5
95.01945	1.0
95.04973	0.7
95.08620	1.3
102.66084	0.6
105.07030	0.9
107.04906	0.7
107.08605	1.1
109.10145	1.3
119.08546	1.0
121.06519	0.7
121.10124	1.6
127.03870	0.6
129.07002	0.9
131.01880	0.6
131.08563	0.8
133.10100	0.8
135.11774	0.8
139.26524	0.6
145.06361	0.6
147.11719	1.0
152.70200	0.5
157.09976	0.6
159.11743	0.7
161.13332	0.5
170.09703	0.6
171.11592	0.7
192.30524	0.6
193.68515	0.5
203.05289	1.1
245.06366	2.2
271.04099	1.0
289.05286	22.3
319.25018	0.9
321.26395	0.7
333.18979	0.8
345.26495	0.6
351.20215	1.8
351.28696	5.2
369.29733	5.8
411.30338	1.3
495.32291	0.7
507.33475	1.1
513.33691	1.8
531.34595	3.3
555.35126	6.3
573.36005	23.0
581.33435	1.4
599.34253	14.1
617.35065	100.0
618.35565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05501	1.0
57.03422	1.2
57.07075	1.0
64.66353	0.8
67.05507	3.4
68.81357	0.8
69.03425	1.8
69.07056	1.3
69.51249	2.4
69.51666	4.6
73.02916	0.8
79.05482	3.0
81.03411	1.8
81.07043	5.6
83.08611	1.3
85.02907	2.4
91.05484	3.1
93.07037	3.1
94.64851	0.8
95.01955	1.0
95.04957	1.3
95.08601	3.4
97.02902	1.6
99.04477	1.0
99.14584	0.8
99.54420	0.9
103.73551	0.9
105.07041	2.6
107.08591	2.1
109.10169	2.2
111.04366	1.0
119.01921	2.7
119.08583	3.2
121.10163	1.7
123.11701	1.2
127.03940	1.3
131.02036	0.8
131.08582	1.4
135.11691	1.3
145.10190	1.1
147.11700	1.1
157.10139	1.0
161.02945	2.6
173.13371	0.9
185.04274	1.1
203.05331	2.7
213.16278	0.9
245.06371	9.9
255.18140	1.0
259.25433	0.8
271.04282	1.4
289.05286	33.7
303.25436	1.4
345.26340	3.9
351.28735	7.7
369.29474	6.4
381.28363	5.1
410.01675	0.8
411.29938	1.7
417.90848	0.9
423.29309	2.0
531.34955	3.2
555.35742	2.4
573.36066	15.8
581.32959	2.6
599.33862	23.6
617.35083	100.0
618.35626	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
55.95605	0.9
56.96298	1.5
56.96563	26.5
56.96843	1.7
57.07064	1.2
67.05497	6.2
68.72573	1.1
69.03426	1.7
69.07059	1.8
69.42712	8.2
70.06592	1.4
78.51150	0.9
79.05481	3.2
79.36137	1.3
81.03416	2.1
81.07050	5.1
83.04987	1.1
84.96026	17.8
88.87170	0.9
91.05488	4.6
93.07033	5.6
95.04957	1.9
95.08610	5.0
98.97584	10.5
102.97066	3.5
104.10754	3.3
105.06415	1.1
105.07004	6.5
107.04918	1.1
107.08610	4.8
109.06508	2.0
109.10149	3.1
110.97610	1.5
116.98648	7.4
117.07021	2.1
119.08588	4.0
120.98100	1.1
121.06490	1.1
121.10160	3.4
123.08055	3.8
123.11710	1.2
125.05963	1.0
128.98601	2.9
131.00185	1.4
131.08560	2.3
133.10132	3.0
134.99637	5.4
135.08037	1.5
137.09651	1.1
140.00250	1.2
140.98604	1.1
142.07831	1.1
143.00162	6.8
143.08586	2.0
144.98036	2.8
145.10138	3.9
146.99651	4.8
147.11687	1.3
149.01187	5.2
151.07520	2.7
155.08484	1.0
157.01733	1.7
157.10138	2.1
158.99660	4.4
159.11690	3.0
161.01204	20.1
161.02417	1.7
161.09691	1.1
162.99129	7.9
165.00771	1.6
165.09108	1.7
167.02299	3.0
167.10658	1.9
169.10097	1.8
170.01218	0.9
171.11639	2.3
173.01178	5.6
177.00723	2.2
179.02306	5.4
181.00229	1.9
181.12303	1.2
182.99701	3.4
183.11700	1.2
184.02824	2.1
184.28529	1.0
187.06288	1.1
190.95354	1.5
191.02255	2.3
196.02928	1.0
198.95770	5.5
201.00674	10.6
203.14304	1.1
213.12685	1.3
216.96918	2.4
219.01735	4.2
221.15414	3.7
228.96925	1.5
240.96893	3.7
242.98543	2.2
246.95860	2.5
246.98048	2.1
258.97977	2.2
264.96939	9.6
282.97922	17.9
300.99005	16.4
305.99728	3.0
317.17856	21.1
317.21429	1.6
324.00623	2.0
335.18906	14.6
357.01660	3.0
358.20392	2.3
375.02573	4.4
391.21692	4.2
557.20740	1.6
581.20935	1.3
599.21912	2.3
599.40955	1.8
617.22961	100.0
617.39954	4.2
618.22748	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	615.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12325	1.9
55.05504	8.7
57.07072	2.6
67.05507	11.8
69.07071	11.2
69.59866	11.5
79.05482	11.2
81.07050	23.1
83.08602	5.0
85.02886	5.3
87.09391	1.8
91.05473	7.3
93.07045	18.8
95.01309	3.4
95.04936	2.6
95.08602	49.9
97.10180	2.8
105.07021	21.6
107.04851	2.1
107.08584	30.5
109.10153	30.2
119.08569	39.2
121.10139	26.9
123.08047	2.2
123.11720	6.0
131.08571	5.4
133.10115	38.4
135.11664	19.8
139.11139	1.9
141.01822	6.6
143.08592	3.7
145.10144	9.1
147.11693	27.2
149.13269	12.8
153.09109	3.0
159.11703	6.8
161.13254	16.0
163.14787	10.7
167.10713	4.6
171.11682	2.8
173.13243	5.2
175.14801	9.5
177.16344	9.0
185.13237	2.4
187.14842	7.9
189.16368	35.6
191.17928	65.7
199.14796	3.4
201.16328	9.4
203.17940	100.0
204.18396	2.9
205.19536	7.3
207.17435	2.3
215.17953	5.7
217.19528	8.7
221.15297	2.1
221.19109	4.7
225.24203	2.3
227.18018	2.8
229.19502	3.8
231.21059	2.9
244.10066	2.0
249.18535	15.3
329.06375	2.7
393.35025	9.8
411.36414	3.8
421.34634	3.2
439.35706	12.4
569.37384	3.3
615.38641	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	614.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01854	4.1
55.05506	9.9
57.03419	6.3
57.07077	14.3
59.04996	3.3
61.02908	3.7
67.05486	5.9
68.99783	2.1
69.03429	32.7
69.07063	55.0
69.46636	5.6
69.47067	7.1
71.04987	8.1
71.08621	8.2
73.02912	3.3
73.06553	10.8
79.05480	3.9
81.03414	17.2
81.07059	7.4
82.07372	2.1
83.04967	4.2
83.08602	3.0
85.02899	57.0
85.10159	4.7
86.09736	1.4
87.00822	26.8
87.04458	4.5
89.06022	25.8
91.05460	4.7
93.07027	7.2
95.04974	1.6
95.08596	8.8
97.02885	36.0
97.06538	1.6
98.20785	3.1
98.79407	1.5
99.04449	7.8
105.01853	41.6
105.07015	8.7
106.07314	2.8
107.08555	7.5
109.02884	17.5
109.10167	7.3
111.04414	3.7
111.11710	72.3
115.03918	3.3
117.06974	1.8
119.08573	9.6
120.08894	3.4
121.10153	5.6
123.04456	1.6
123.11665	1.9
127.03910	46.1
129.01758	2.0
129.12746	100.0
131.08559	3.3
133.04956	2.7
133.10110	8.7
134.10434	1.5
135.11710	3.5
137.05948	2.1
139.03915	1.6
145.04947	22.6
145.10107	4.0
147.04466	2.2
147.11685	6.3
148.12016	1.7
149.13246	1.9
150.07652	2.0
151.03876	1.9
153.12738	1.4
159.02879	6.1
159.11694	4.7
160.12048	1.9
161.13200	4.4
162.13617	1.8
163.14798	2.4
167.07112	3.5
171.02919	1.5
171.11693	1.7
173.13235	3.0
175.14856	2.8
177.16328	2.4
187.14757	2.7
188.15123	2.5
189.16357	7.7
190.16701	4.9
191.17938	2.0
199.16914	20.0
201.16316	3.2
202.16631	2.8
203.18056	6.8
204.18251	4.3
213.03894	4.5
217.17970	31.7
231.05020	17.3
247.41675	1.4
249.06056	8.7
345.08307	2.3
359.16898	5.8
391.13950	1.6
392.33734	2.6
410.34186	1.4
438.34332	3.6
562.72327	1.7
568.37006	8.0
614.36768	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.8
57.07064	4.9
57.70768	2.5
64.39568	1.8
67.05490	8.1
69.03419	2.3
69.07062	11.2
70.06567	3.0
71.58144	4.1
79.05478	9.2
81.07065	16.3
83.08630	3.9
85.02899	4.3
88.07591	2.7
91.05467	8.1
93.07037	18.6
95.01330	4.9
95.04934	2.4
95.08600	38.2
97.10188	2.8
102.09144	3.0
105.07030	20.6
107.08580	25.4
109.10131	20.9
119.07800	3.3
119.08578	36.1
121.10142	22.7
123.11700	9.2
131.08598	2.6
133.10135	29.5
135.11685	16.3
141.01845	8.3
145.10057	7.6
147.11662	27.9
149.02332	7.2
149.13271	11.8
157.10078	2.3
159.11668	9.3
161.13222	14.5
163.14798	13.7
167.10649	4.7
171.11681	2.0
173.13281	3.0
175.14798	8.7
177.16342	10.1
184.64328	2.4
187.14821	8.4
189.16380	32.6
191.17946	70.4
193.04994	6.0
194.05203	3.2
201.16306	10.0
203.16037	5.3
203.17947	100.0
205.19505	8.1
213.16444	2.4
215.17976	4.6
217.19511	9.0
219.21074	2.6
221.15466	2.5
221.18973	3.3
229.19484	2.5
235.16876	3.5
245.22441	2.3
247.17001	2.1
249.18456	17.7
256.26245	7.6
257.26749	4.3
385.09204	4.3
386.09518	4.4
393.35104	8.5
407.20486	2.7
407.25488	2.9
439.35797	15.6
569.38239	2.8
615.32739	20.1
624.51575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	4.7
55.01875	1.7
55.03789	1.6
55.05505	27.9
57.03430	9.5
57.07069	4.6
58.79613	1.5
65.03931	4.5
67.05502	82.2
69.07065	30.7
69.49029	1.4
71.05000	2.4
71.08614	1.9
71.39588	2.5
72.41390	1.4
79.05489	50.7
81.07049	95.2
83.04952	2.6
83.08613	18.7
85.06539	3.1
91.04910	1.5
91.05476	43.6
93.07037	63.4
95.04962	5.8
95.08600	70.8
97.06522	4.1
97.10159	5.6
99.08094	1.8
100.82944	1.5
105.07022	41.8
105.07679	2.6
106.63951	1.6
107.08588	41.2
109.06473	3.0
109.10149	36.9
111.08079	3.6
117.06992	15.3
119.08582	39.8
121.10139	30.9
121.11012	1.8
123.08038	2.2
123.11681	12.6
129.06966	7.3
130.07828	2.0
131.08560	32.4
133.10129	32.8
133.11098	2.7
135.11679	22.2
137.09648	2.3
137.13274	5.1
139.11150	1.6
142.07776	2.0
143.08546	11.1
145.10121	26.9
147.11671	23.3
149.13243	11.5
151.11212	2.2
155.08539	3.2
157.10133	10.4
159.11674	22.2
161.13248	16.0
163.14832	5.0
165.12761	1.8
169.10107	4.1
171.11658	10.0
173.13261	16.5
175.14862	7.1
177.16426	3.2
181.10001	2.3
183.11656	3.6
185.13199	7.1
187.14787	10.8
189.16426	3.7
197.13380	2.7
199.14856	5.4
201.16466	4.4
203.17914	3.7
205.19473	2.0
211.14822	2.7
213.16455	3.2
215.18030	2.5
217.19604	2.5
229.19603	2.2
231.21111	2.1
233.19124	2.0
241.19559	4.6
243.21062	2.8
257.19482	1.8
259.20566	10.1
261.18213	1.6
261.22162	13.1
263.23706	2.2
263.35254	1.5
273.22055	2.6
275.23895	1.8
277.21741	1.6
279.23209	2.2
287.23788	1.7
289.25262	1.7
299.23874	1.7
301.25494	1.7
313.25311	2.4
315.23236	2.0
333.24261	8.1
335.25772	25.4
337.27399	12.9
361.51663	1.7
489.35715	3.5
503.36777	2.4
503.43246	2.4
521.43842	7.4
539.44537	5.6
571.44562	1.9
595.47009	15.6
613.48224	100.0
614.49005	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	3.0
55.01867	1.9
55.05510	22.0
57.03435	7.0
57.07070	5.7
64.69566	0.8
65.03923	3.2
67.05502	64.5
68.95783	0.9
69.07066	25.3
71.04980	1.5
71.08632	2.1
71.57621	0.9
77.03938	1.0
79.05489	32.6
81.07052	70.6
81.54092	0.9
83.04961	2.1
83.08623	10.8
85.06538	2.8
91.05475	31.5
93.07038	45.0
95.04427	0.8
95.04949	5.1
95.08601	59.8
97.06516	2.0
97.10169	6.0
99.08108	2.5
105.07030	31.3
107.07865	1.7
107.08588	29.1
109.06506	2.5
109.10151	28.4
109.37693	0.9
111.08131	2.0
111.11750	1.7
111.96455	0.9
115.05412	1.3
117.07007	13.6
119.08574	31.1
121.10136	23.0
123.08074	2.5
123.11697	11.5
125.09576	1.5
128.06233	1.2
129.06960	5.1
131.08563	24.6
133.10121	24.7
135.11682	18.7
135.99149	0.9
137.13229	4.5
137.29089	0.9
139.11098	1.0
141.06984	1.3
142.32924	0.9
143.08568	7.8
145.09123	0.8
145.10106	21.2
147.11670	18.2
149.09593	0.9
149.13240	10.8
151.11342	1.0
151.14865	1.4
155.08589	3.0
155.95061	0.9
157.10135	6.3
159.11676	19.2
161.13269	13.9
163.14828	4.7
169.10175	4.2
171.11676	7.8
173.13255	13.5
175.14809	7.4
177.16441	2.8
179.14215	1.4
181.10179	1.3
183.11685	2.9
185.13260	6.9
187.14806	9.3
189.16374	4.3
191.18002	1.0
197.13269	2.9
199.14778	5.0
201.16359	3.7
202.74362	1.1
203.17992	2.5
211.14835	1.8
213.16489	2.4
215.17973	2.1
217.19540	1.2
225.16414	1.4
227.18195	1.7
229.19528	1.3
231.21074	1.8
239.17958	1.5
241.19603	4.0
243.21104	3.4
245.22577	1.0
247.20551	1.5
257.19019	1.6
259.20541	8.7
261.22070	11.5
263.23624	1.1
273.22302	1.3
277.18472	1.0
277.21710	2.7
281.21094	1.1
285.22086	1.3
287.23526	1.2
295.22604	1.0
299.23706	1.7
301.25262	1.3
303.23380	1.1
305.24725	0.9
311.23679	1.4
315.23285	1.3
317.24954	2.3
321.24432	1.1
323.25833	1.5
327.26971	2.5
333.24298	4.9
335.25751	15.7
335.29379	1.6
337.27374	10.4
355.29947	1.8
369.31351	1.0
444.57693	1.1
459.34164	1.0
475.33673	1.4
489.36310	1.6
503.36804	1.9
521.43622	6.2
529.38452	1.6
539.44495	4.9
543.40179	2.0
571.43323	1.1
595.47064	13.0
613.48199	100.0
614.48572	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.0
65.03930	2.4
67.05499	26.3
69.07063	21.7
69.27108	23.8
73.02914	6.0
79.05488	16.9
81.03410	3.2
81.07051	48.4
83.08617	8.1
85.02898	9.1
91.05463	21.5
93.07035	42.0
95.01329	2.9
95.04969	5.6
95.08598	76.3
97.10172	5.6
101.02354	3.5
103.03954	3.6
105.07025	53.3
105.07684	4.2
107.08583	61.1
108.42651	1.9
109.06522	4.1
109.10147	59.2
111.08066	5.3
115.05447	3.2
117.07016	7.7
119.08570	85.0
121.06531	2.8
121.10135	39.9
121.10936	4.4
123.08096	2.9
123.11699	15.1
129.07007	5.2
130.07791	2.6
131.08540	25.8
133.10121	61.9
135.11693	24.0
137.13286	3.1
139.07452	2.6
141.01836	3.9
143.08551	11.1
145.10118	47.1
147.11671	55.9
147.12787	3.5
149.13260	32.5
149.65146	2.0
153.09096	3.6
155.08534	3.0
157.10136	13.0
159.11679	40.3
161.09628	2.9
161.13261	36.9
163.11206	4.4
163.14803	35.4
167.10666	2.9
169.10130	3.9
171.11647	11.6
173.13235	27.5
175.14810	26.2
177.16385	31.2
183.11673	4.6
185.13287	9.9
187.14812	40.5
189.16368	100.0
190.16690	2.9
191.17920	13.6
197.13274	6.1
199.14810	9.9
201.16373	62.1
203.17940	75.4
205.12138	2.8
205.15918	2.8
207.17480	4.8
209.13306	3.2
210.25095	2.6
211.14792	4.4
213.16302	14.7
215.17937	28.6
217.16127	2.9
217.19510	9.1
219.13892	2.4
219.17476	3.5
221.19109	2.9
225.16295	5.4
227.17963	8.4
229.15825	3.2
229.19543	7.7
233.18932	3.0
235.16934	5.5
237.16495	3.2
239.18016	5.4
241.19547	7.7
243.21111	6.5
247.16919	7.4
249.18610	5.2
253.19524	4.9
255.21132	6.5
261.18466	4.4
267.21063	3.8
269.22665	5.4
273.18570	2.9
279.21207	3.1
281.22589	4.7
283.23990	3.9
287.19952	2.5
295.24225	3.8
321.26230	3.1
349.28784	2.9
351.30334	2.0
365.19568	13.4
376.24036	2.3
377.19626	11.2
379.21262	4.7
389.31934	2.7
391.21429	3.1
391.33502	23.4
409.34851	7.7
437.34033	36.0
532.58807	2.3
549.35529	2.8
567.36810	54.7
568.37415	2.8
577.35413	2.9
595.36414	8.8
613.36993	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	613.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70662	1.3
53.03928	2.5
55.05502	11.3
57.03424	2.4
57.07061	3.5
62.56937	1.5
65.03951	1.4
67.05503	25.3
69.03422	4.3
69.07063	22.5
70.77802	3.1
70.78200	3.7
71.01334	2.1
73.02911	7.3
79.05494	18.6
81.03417	2.9
81.07056	48.3
83.08606	8.3
85.02909	9.2
87.37585	1.4
91.05479	25.9
93.07043	42.1
95.01339	3.1
95.04967	3.8
95.08603	83.8
97.02882	2.2
97.06498	3.0
97.10156	4.4
99.20216	1.5
101.02360	2.6
103.03925	1.8
105.07029	54.6
107.08588	62.0
109.06525	3.5
109.10152	58.7
111.08080	4.1
115.05466	1.4
117.07030	9.1
119.08578	85.6
121.06483	2.8
121.09312	2.9
121.10140	43.8
123.11699	13.2
125.02403	1.5
128.06186	1.5
129.07004	5.1
131.08574	21.8
133.06441	2.5
133.10126	62.7
135.08067	2.3
135.11693	26.5
137.09593	2.1
137.13251	4.6
141.01834	3.0
142.07790	1.8
143.08554	12.5
144.09285	1.8
145.10118	45.3
147.08029	2.5
147.11679	48.0
149.06006	1.7
149.09686	2.0
149.13251	31.7
151.07605	1.8
153.09090	4.2
155.08580	3.6
156.09341	2.4
157.10138	13.4
159.08075	1.8
159.11687	40.6
161.09633	2.7
161.13260	32.7
163.07590	1.8
163.14809	26.1
165.09154	1.5
165.12721	2.0
168.09344	2.3
169.10126	6.1
171.11688	16.1
172.12488	2.5
173.13252	29.0
175.14839	29.6
177.16397	26.2
181.10066	2.3
183.11671	5.3
185.13297	8.9
185.14667	1.5
187.14804	40.0
189.16377	100.0
191.17921	10.7
195.11649	4.2
197.13264	6.2
199.14793	11.6
201.16374	63.7
203.17955	82.8
205.15857	3.4
205.19528	3.7
207.11662	1.9
207.17400	4.1
209.13249	2.4
211.14786	6.1
213.16370	16.2
215.14420	2.7
215.17950	27.6
217.15924	3.0
217.19551	6.8
219.17389	3.0
221.15370	2.8
223.14780	2.3
225.16420	6.2
227.17975	9.1
229.16039	2.2
229.19527	9.6
231.17455	2.2
231.20900	1.8
235.16945	5.2
237.16315	4.4
239.17905	5.7
241.19536	10.4
243.21150	7.2
247.16898	6.8
249.18501	5.2
253.19426	2.6
255.21046	5.9
257.22540	1.9
261.18439	4.2
265.19553	2.6
267.21045	5.2
269.13147	1.5
269.22525	2.6
273.18500	2.9
281.22556	5.4
283.24188	5.4
287.19824	2.2
295.24167	1.8
297.25638	2.2
323.15143	1.9
329.17450	1.6
329.24948	2.4
343.26160	2.3
347.18509	2.0
355.26218	2.0
359.18674	3.0
365.19708	10.6
377.19568	9.6
379.21234	2.8
389.31750	1.8
391.21115	2.8
391.33578	23.8
409.34595	8.0
417.22861	2.1
419.33075	3.5
437.34177	30.8
531.34595	3.1
549.35474	4.2
567.36761	51.9
568.37042	2.2
577.35181	5.8
595.36102	8.5
613.38519	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	613.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.1
55.69051	2.0
57.07074	3.6
60.56610	2.1
67.05502	23.4
69.03419	3.0
69.07057	17.2
69.64021	15.5
71.01329	2.7
73.02900	4.1
79.05493	12.9
81.07055	42.2
81.26196	2.0
83.05013	2.7
83.08606	7.2
85.02899	10.5
91.04948	2.9
91.05470	19.5
93.07043	37.5
95.04964	4.5
95.08604	62.4
97.02883	4.0
97.10157	4.3
98.21497	4.2
99.04450	2.2
101.02361	3.0
103.03963	2.5
105.07026	45.4
107.08592	49.3
109.06478	2.8
109.10160	41.6
111.08085	3.9
115.05446	2.9
117.07002	8.9
119.08579	73.7
121.10139	38.6
123.08026	2.6
123.11698	11.2
129.07018	3.4
131.08580	20.7
133.10126	56.0
135.11678	16.8
137.05959	7.1
137.13217	2.3
141.01814	3.4
143.08575	7.1
145.10120	43.8
147.11674	38.5
149.13268	24.2
151.03958	2.6
151.07498	2.9
153.09052	4.0
157.10121	12.0
159.11679	28.4
161.13242	30.4
163.14835	23.8
167.07018	4.1
167.10683	2.4
169.10104	4.4
171.11667	11.1
173.13251	23.8
175.14796	22.5
177.16388	28.1
179.10609	3.3
183.11719	4.8
185.13225	7.8
187.14815	33.1
189.16377	100.0
191.06998	2.7
191.17955	12.0
197.13322	3.5
199.11028	3.4
199.14795	16.0
201.16368	49.8
203.17947	70.8
205.15752	4.1
205.19592	2.7
207.11790	2.6
207.17374	3.9
211.14682	4.9
213.16391	12.0
215.17914	21.4
217.19528	5.4
219.17430	3.6
225.16341	5.1
226.17430	2.6
227.17969	11.0
229.19341	4.6
231.17389	4.3
235.16864	5.6
239.17885	3.0
241.19440	5.4
243.21027	3.7
247.16917	6.7
249.18623	4.4
255.21054	5.9
267.20990	3.8
269.22711	3.7
281.22510	3.3
283.24219	4.2
309.25439	2.9
311.27689	3.0
327.23126	3.3
355.26102	4.0
365.19476	12.2
377.19537	8.8
387.14621	3.4
389.19833	3.4
391.21017	3.2
391.33557	19.8
409.34528	5.9
437.34143	37.4
457.02054	3.2
465.33493	2.3
532.83130	2.3
549.35297	3.0
567.36804	46.8
595.36102	8.0
613.36908	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	613.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01859	2.2
55.05506	12.3
57.03437	2.9
57.07074	1.9
57.80908	1.8
65.03935	2.3
67.05497	17.5
69.07061	16.5
70.77830	3.9
70.78164	3.4
73.02898	5.8
79.05492	15.3
80.22118	1.9
81.07056	40.9
83.08624	7.6
85.02896	9.8
91.05474	22.6
93.07041	39.8
95.01354	2.1
95.04939	5.2
95.08604	67.9
97.10177	5.3
97.52190	1.8
101.02373	1.8
103.05410	3.5
105.07024	51.4
107.08586	59.9
108.78060	1.7
109.10156	49.2
111.08078	3.3
111.11736	2.9
115.05453	2.2
117.07011	9.6
119.08575	81.0
121.06470	2.5
121.10135	42.3
123.11704	14.0
128.06218	2.8
129.06989	3.7
130.07729	2.6
131.04958	2.6
131.08546	25.4
133.09099	3.3
133.10120	55.2
135.08078	3.0
135.11681	22.8
137.05983	5.7
141.01846	4.3
143.08525	7.5
144.09303	2.4
145.06415	2.3
145.09032	3.8
145.10117	41.7
147.11681	51.6
149.13271	30.3
151.03912	4.2
153.09071	3.2
155.08551	3.3
157.10155	11.0
158.47514	2.2
159.11687	39.5
160.18686	1.8
161.13245	30.2
163.14809	30.0
167.07031	6.2
169.10168	2.9
171.11679	7.7
172.12582	2.1
172.91667	1.9
173.09787	1.8
173.13251	21.1
175.11304	2.1
175.14807	22.3
177.16393	31.6
179.14380	3.1
181.04933	4.8
183.11641	3.2
185.13261	7.4
187.14801	34.0
189.16367	100.0
191.07040	3.4
191.17949	11.3
195.11757	3.4
197.13289	4.3
199.14824	10.4
201.16382	49.3
203.17947	70.3
204.18391	2.5
205.15915	2.3
205.19424	2.8
209.13249	3.3
211.14886	3.5
213.16328	12.9
215.17935	22.2
217.19485	7.1
219.17401	3.8
221.13231	2.1
221.19031	3.1
225.16388	3.1
227.17838	9.6
229.19547	5.8
235.16949	5.3
239.18028	2.2
241.19551	7.3
243.21045	6.2
247.17000	5.2
249.18388	5.9
253.19653	2.4
255.21013	3.5
267.21237	3.4
273.18546	3.3
281.22565	3.4
283.23929	2.7
347.18372	2.3
349.28857	3.3
363.18018	2.3
365.19485	12.7
377.19437	8.1
379.21048	4.4
389.19434	3.3
391.33591	17.1
393.23239	2.1
409.34668	6.1
437.34140	34.3
455.34958	2.5
474.29535	1.9
506.84586	2.1
527.25104	1.8
529.44019	1.8
567.36755	34.8
577.35028	2.7
595.35840	7.3
613.10077	2.6
613.37524	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	613.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.8
57.07050	6.1
65.03942	3.4
67.05495	25.1
68.54047	3.3
69.03414	4.8
69.07058	15.7
71.01347	3.1
71.05010	3.6
71.57377	4.8
73.02885	5.1
79.05482	20.6
81.07062	48.8
83.08616	7.6
85.02892	12.8
91.05474	25.3
93.07047	34.1
95.04963	4.3
95.08602	72.5
97.10193	5.6
98.21802	3.6
103.04005	3.8
105.07023	47.7
107.08594	55.3
109.06489	4.4
109.10156	52.5
117.06948	7.6
119.07801	5.8
119.08583	68.2
119.09361	2.5
121.10129	37.4
123.11684	10.8
129.07019	4.2
131.08588	22.4
133.10121	70.5
135.08028	6.4
135.11694	23.4
137.06013	17.5
138.06342	5.7
139.06447	3.7
143.08508	8.0
145.10133	31.0
147.08060	3.5
147.11676	43.3
149.13274	35.0
155.08571	4.9
157.10143	12.4
159.11691	36.5
161.13280	35.4
163.14807	27.3
169.10080	4.4
171.11659	8.1
173.11932	2.9
173.13260	21.0
175.14813	23.0
177.16402	27.3
183.11707	5.1
185.13229	10.3
187.14766	32.3
189.16373	100.0
191.18004	6.7
193.02896	3.3
197.13344	6.4
199.14836	12.2
201.16388	36.9
203.17963	65.0
207.17412	6.9
211.14850	4.7
213.16356	16.0
215.18002	22.1
217.19556	5.0
227.18013	7.2
229.19530	9.8
235.16959	5.1
241.19463	4.8
243.21144	6.0
247.16751	4.8
249.18550	6.9
255.21034	5.6
261.18445	5.7
287.19888	3.8
314.92239	3.5
328.90717	3.5
365.19675	20.2
377.19489	9.0
391.21301	5.1
391.33521	13.8
409.34610	8.3
437.34061	35.9
495.98022	3.9
565.46906	3.9
567.36896	47.9
581.23737	4.5
595.36218	6.0
613.36859	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	613.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44300	3.4
55.05503	11.3
67.05495	14.2
67.66283	3.5
69.07053	17.1
69.92294	16.6
69.92709	5.6
73.02901	6.0
79.05502	12.2
81.07056	41.4
83.08598	8.9
85.02895	10.9
91.05453	19.7
93.07039	35.3
95.04964	4.4
95.08601	73.2
97.10160	5.8
105.07018	58.9
107.08582	57.0
109.10155	52.4
117.07030	9.0
119.08583	71.2
121.10134	34.9
123.11701	13.4
131.08600	18.1
133.10110	51.0
135.11687	17.3
143.08539	9.6
144.09280	3.6
145.10127	40.0
147.11658	42.1
149.13237	33.0
157.10100	10.4
159.11707	32.2
161.13263	34.4
163.14847	32.4
171.11711	9.4
173.13260	27.2
175.14792	23.1
177.16393	27.2
181.10110	4.2
183.11665	4.9
185.13271	6.2
187.14793	34.7
189.16386	100.0
189.92993	4.2
191.17950	11.9
197.13174	6.1
199.14917	10.7
201.16380	60.6
203.17966	69.1
213.16374	11.4
215.17989	22.3
223.14842	5.7
225.16452	5.0
227.17946	6.0
229.19484	6.4
231.17245	3.8
236.02069	3.4
241.19521	8.6
243.21060	4.8
247.17023	8.5
249.18538	5.3
253.19412	4.9
255.21172	4.5
328.65952	3.8
365.19641	17.5
377.19571	6.4
391.33640	19.0
437.34204	33.8
567.36743	55.1
595.35699	5.8
613.38220	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	613.2648
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05497	1.5
67.05498	5.1
69.03429	0.9
69.07068	1.4
69.64022	1.1
69.70517	5.5
70.02946	1.3
74.86763	1.1
79.05486	1.8
80.72762	0.9
81.07058	3.6
81.13562	0.8
83.14304	0.8
85.02882	1.0
91.05481	3.8
93.07050	2.3
94.06554	1.0
95.04939	1.7
95.08620	2.9
105.07054	2.9
106.06541	1.0
107.08598	1.3
109.10168	2.9
119.08559	2.7
131.07315	2.3
132.08183	1.0
133.10112	1.7
136.07578	4.1
138.09125	1.7
143.08510	1.3
144.08046	1.3
145.06396	0.9
145.10141	2.2
146.09698	2.5
147.11667	2.0
155.08592	1.1
157.10138	1.4
159.09236	1.1
159.11711	1.5
160.11223	1.3
171.11617	1.2
171.62563	1.1
172.09966	1.2
174.09190	7.6
187.12291	4.9
188.10680	4.9
196.09837	1.2
197.10788	1.9
199.12338	1.2
202.34940	1.0
209.10811	1.2
211.08720	2.6
212.09421	2.3
213.10201	1.5
215.11806	3.7
221.10722	1.6
223.08688	1.3
225.10287	4.3
226.11028	2.6
227.08263	1.2
227.11696	4.8
235.08690	2.3
237.10341	2.9
238.11169	0.9
239.11816	3.9
241.09529	1.2
241.13391	6.7
243.11269	25.0
247.03856	1.1
249.10283	2.1
251.11702	4.6
253.09735	3.3
255.11278	1.7
261.10202	1.1
265.09671	1.5
265.13367	1.1
267.11240	9.8
269.10013	1.1
269.12805	6.9
271.10861	2.1
277.09781	1.8
277.12973	1.0
279.11310	1.1
285.12491	1.6
287.13928	5.2
291.11349	1.1
293.12875	1.8
295.10617	6.6
300.15479	1.0
302.12982	1.0
309.12259	2.1
311.14139	3.1
313.12076	2.1
314.12991	3.0
315.13623	1.2
316.10928	1.3
316.14481	1.7
324.01291	1.0
327.13394	9.0
328.10840	1.8
328.14517	3.0
329.11575	1.5
329.15265	1.9
330.12396	2.3
330.15982	1.9
332.13904	1.0
340.14304	1.1
342.12454	3.6
342.16187	2.0
343.13196	3.2
344.13940	3.8
345.14597	1.8
346.15433	1.5
348.13382	3.3
348.84885	1.0
354.12460	1.7
354.16324	1.3
355.13791	1.3
356.14038	4.3
356.17969	1.4
357.14706	2.9
358.15411	4.6
359.16177	1.2
360.16916	1.5
368.14255	1.4
369.14496	1.3
370.15726	6.0
371.16629	1.4
372.13187	1.6
372.17230	6.5
373.18030	2.2
374.14984	1.5
374.19131	1.6
384.13239	1.5
384.17459	1.5
385.18198	1.3
386.14816	2.4
386.19058	2.1
388.20346	1.4
392.17236	1.5
398.15121	1.6
400.16669	3.1
403.15738	1.2
404.16589	2.1
407.14951	1.2
412.16779	1.3
417.17090	1.1
418.17554	4.3
419.18500	1.5
420.16138	1.5
421.16721	1.2
430.18170	1.4
431.18771	1.7
432.19748	1.3
433.20013	1.5
434.19174	1.9
437.19705	1.6
446.17081	2.3
447.17526	1.8
449.15475	1.5
449.20828	1.6
451.21826	3.2
459.18161	2.4
461.24231	1.7
462.24442	1.5
463.18936	1.1
465.18311	9.5
474.20871	1.1
477.19269	3.2
478.19855	5.1
479.20599	5.2
480.21472	4.4
481.22198	2.0
489.22836	2.2
490.19376	8.3
491.19995	1.7
492.21826	3.5
493.22992	4.9
494.23199	2.3
507.24304	5.3
508.21494	3.4
517.22528	2.7
520.21008	1.7
521.21326	1.7
535.23352	20.4
536.22034	1.2
537.25000	1.3
539.23584	1.2
540.22931	1.3
541.23883	1.8
553.24408	100.0
554.24786	3.9
563.22913	3.5
569.27026	1.1
581.23914	64.0
582.24298	3.2
595.25378	3.4
595.35571	1.2
613.26514	94.8
614.27026	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	612.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01875	0.9
64.13613	0.5
67.05509	1.3
69.03411	0.5
69.07079	0.9
69.23914	6.0
70.06615	0.5
71.04994	0.8
79.05488	7.8
80.05006	2.3
81.07051	1.3
85.02876	0.7
85.06532	0.7
91.05476	4.6
93.07049	6.5
94.06561	1.2
95.04961	2.0
95.08598	1.5
95.32597	0.7
96.08151	0.8
97.02885	0.6
97.06528	0.6
98.09528	0.5
98.20702	0.9
103.05468	7.0
105.05746	0.9
105.07028	1.7
107.04929	0.6
108.04451	1.1
108.08138	4.0
108.08739	0.7
110.09682	1.3
117.06996	1.3
118.06538	2.0
119.07330	2.0
120.08101	34.1
122.06005	1.5
136.07584	3.8
137.05974	3.2
138.05479	0.8
138.09145	2.1
145.02855	0.7
145.06473	0.8
146.05943	1.0
148.07565	100.0
149.07903	1.9
151.03897	1.4
157.32672	0.6
162.09190	0.7
166.04945	0.7
166.08647	4.4
167.07011	3.2
168.06554	0.9
172.03911	1.1
172.58228	0.6
177.05544	1.3
181.04942	2.3
185.10709	0.8
186.09157	1.2
190.04984	1.2
191.07008	1.6
199.08719	3.8
199.12334	0.6
200.09372	1.0
201.10312	0.8
204.06581	1.5
206.08241	0.8
208.09778	1.6
211.08685	3.7
211.12260	1.0
212.07504	0.5
212.09424	2.5
213.06630	1.1
213.10199	3.8
221.10776	0.9
224.09285	2.5
225.06616	1.5
225.10158	5.7
226.10899	1.0
227.08168	2.2
227.11655	3.1
228.08751	0.7
229.09753	1.8
232.58434	0.7
237.10286	0.9
239.08134	1.1
239.11737	5.8
240.08902	0.9
241.09755	3.0
241.13405	1.0
242.10693	1.0
245.12863	9.5
249.10204	1.0
251.11824	1.0
252.08655	24.9
253.09697	4.5
254.10536	1.4
255.08038	0.8
255.11263	12.5
257.12778	0.7
264.08890	1.0
267.11292	10.6
268.12054	1.0
269.12967	1.0
273.08905	0.5
273.12289	1.8
279.11310	1.7
281.09106	0.7
283.10748	10.1
285.09033	1.1
285.12259	7.9
285.15176	0.8
287.10309	0.9
295.10757	5.9
297.12402	2.1
299.10266	1.2
301.11792	16.2
303.13489	0.6
307.10867	0.7
311.10379	1.2
313.11789	24.3
323.10208	5.0
325.11627	0.7
329.11322	20.4
330.11826	0.9
341.11261	6.1
343.12796	0.7
347.12372	1.2
355.12744	1.3
359.12430	0.6
361.13904	56.1
362.14313	1.9
373.13943	11.7
387.14325	0.7
402.18170	0.9
411.11826	1.6
418.00238	0.7
420.19064	1.9
430.17444	0.9
432.19077	0.7
448.18613	4.0
458.17297	0.8
476.18158	4.4
480.21152	2.0
494.19031	2.5
508.20685	14.6
518.19550	0.8
526.21765	3.5
536.20062	6.2
538.18030	0.9
550.21643	3.0
552.19568	1.9
562.18274	2.1
568.22253	1.0
580.19226	11.1
594.21014	4.0
612.21979	6.4
613.22974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
55.01865	1.1
56.08785	0.6
57.03414	0.6
65.03962	0.7
67.05495	1.1
69.51029	1.8
69.51439	2.2
70.41338	0.5
79.05492	7.7
80.05006	1.7
81.03398	0.7
81.07041	0.9
85.02904	1.3
86.09728	0.9
87.00894	0.7
91.05461	4.6
93.07038	8.3
93.14044	0.5
94.06594	1.1
95.04961	1.5
97.02856	0.7
99.28876	0.5
103.05463	6.9
105.05760	2.0
107.04931	0.9
107.08577	0.6
108.04465	1.1
108.08125	4.5
110.06046	0.5
110.09676	1.6
118.06530	2.6
119.07308	2.5
120.04484	0.5
120.08102	36.2
122.06042	1.3
122.09682	1.1
131.04860	0.6
132.08174	0.5
134.09570	0.5
136.07559	4.5
137.06004	1.9
138.05464	0.9
138.09134	3.3
146.05956	1.3
148.07564	100.0
149.07893	1.0
161.10741	0.5
162.09174	0.6
166.08618	4.4
167.07036	1.6
168.06569	0.9
177.05598	0.7
181.04926	1.3
181.06384	0.6
185.07059	0.5
191.07008	0.9
198.07701	0.7
199.08640	3.4
200.09373	1.4
204.06491	0.7
206.08096	0.7
207.09096	0.6
208.09706	1.6
211.08731	5.1
211.12381	0.6
212.09367	2.5
213.06537	2.0
213.10191	3.9
221.10718	0.6
222.09193	0.7
223.08585	0.9
224.09293	1.9
225.06573	1.2
225.10149	4.8
226.10962	0.9
227.08151	1.5
227.11711	4.1
228.10347	0.6
229.09752	1.6
236.09331	0.6
237.10220	1.2
238.10754	0.6
239.08067	1.3
239.11816	5.9
240.08823	1.4
241.09729	3.5
241.13307	0.7
242.10475	0.8
245.12854	10.0
249.10204	1.2
251.11821	1.4
252.08669	23.3
253.09703	4.9
254.10559	1.7
255.07716	1.2
255.11281	12.9
257.12952	0.6
265.09665	0.8
267.08160	0.6
267.11255	10.3
268.08408	0.7
268.11984	0.7
273.08887	0.7
273.12323	2.1
279.11322	1.4
281.09256	1.2
283.10757	10.4
285.09409	0.8
285.12332	6.7
287.10458	0.6
288.10715	0.7
289.05298	0.9
295.10806	6.6
297.12411	2.1
299.10248	1.6
301.11804	17.9
303.04803	0.6
304.05362	0.7
307.10843	0.9
311.10168	1.6
313.11819	24.9
313.15469	1.2
317.97061	0.6
323.10120	2.9
329.11316	16.3
341.11276	6.1
347.12393	1.4
355.12921	0.6
359.12292	0.7
361.13907	55.9
362.14163	1.9
373.13916	10.1
387.14282	0.9
411.11719	1.2
420.19287	1.5
430.17294	0.6
432.18753	0.8
448.18729	5.3
458.17508	0.6
476.18057	5.2
480.21381	1.3
494.19199	2.4
508.20807	13.0
518.19269	1.0
526.21954	3.4
534.18243	0.7
536.20288	6.6
550.21436	1.7
552.19501	2.3
562.18304	1.6
568.22839	0.8
580.19250	9.8
581.19934	0.7
594.20856	2.8
595.21509	0.6
612.21796	7.8
612.30634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05515	14.2
57.03437	3.2
57.07065	4.2
65.03919	2.6
67.05502	25.6
69.07070	11.5
69.90872	3.7
69.91289	4.7
71.04991	2.5
71.08620	2.0
79.05489	18.5
81.07056	27.3
83.04979	2.1
83.08614	7.6
91.05460	15.3
93.07036	18.9
95.04968	3.8
95.08603	21.3
97.10172	4.0
105.07034	16.1
107.08578	14.8
109.06519	2.4
109.10099	7.3
111.08105	2.6
117.07029	9.1
119.08574	12.1
121.10135	8.8
123.11742	4.2
125.09647	3.3
128.06165	3.0
129.06982	10.2
131.08568	17.3
133.10121	10.7
135.11723	6.5
141.06989	4.3
142.07756	2.1
143.08563	10.5
145.10101	16.3
147.11700	6.9
147.38318	1.8
155.08554	7.6
157.10152	12.5
159.11688	12.5
160.46591	1.5
161.13316	5.9
167.08540	2.4
169.10117	10.8
171.11664	10.0
173.13231	9.7
179.14322	2.4
181.10172	5.3
183.11703	6.8
185.13258	6.4
187.14848	4.8
189.16400	2.0
195.11697	2.0
197.13310	4.8
199.14819	6.0
201.16414	4.5
209.13283	2.7
211.14784	3.9
213.16412	3.8
221.13350	1.9
223.14804	3.0
225.16368	2.7
227.17947	4.3
229.19527	2.6
237.16302	2.1
239.17973	3.3
241.19611	2.7
243.21480	1.9
275.20172	2.3
277.21686	2.8
340.09003	1.6
353.24710	1.8
353.28589	2.4
415.38095	1.9
423.32910	2.3
435.32483	1.6
501.40884	3.3
519.41650	8.1
537.43073	7.7
593.45514	12.4
611.46680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	4.9
55.05515	27.8
57.03448	8.5
57.07068	5.6
65.03931	2.0
66.20181	1.4
67.05506	63.5
69.07066	17.0
69.26306	9.8
69.26738	9.1
71.04994	1.7
72.83173	1.8
79.05496	43.4
81.07055	59.3
83.04981	2.9
83.08629	9.0
85.06541	2.1
88.04347	1.6
91.05482	41.4
93.07044	53.2
95.04993	8.1
95.08606	46.2
97.06543	3.5
97.10192	5.1
103.05432	2.3
105.07035	43.7
107.08598	30.5
109.06519	2.4
109.10157	17.4
115.05438	2.1
117.07016	19.9
119.08583	34.2
121.10144	23.7
123.11716	5.4
128.06221	3.3
129.07001	13.7
130.07780	2.0
131.08563	29.8
133.10141	24.1
135.08086	1.9
135.11674	14.9
136.08391	1.7
141.06992	3.7
142.07802	3.4
143.08592	15.7
144.09372	2.8
145.10109	26.8
147.11674	23.1
148.92110	2.0
149.13237	8.0
149.24765	1.5
155.08583	6.9
157.10118	15.0
159.11678	24.4
161.13263	18.0
163.14845	4.5
167.08598	2.2
169.10143	7.5
171.11711	16.6
173.13243	15.1
175.14856	7.9
181.10141	2.3
183.11655	8.7
185.13248	12.0
187.14883	5.0
195.11789	4.1
197.13309	4.3
199.14830	6.4
201.16316	2.6
203.17928	1.9
211.14893	5.4
213.16414	6.5
213.86584	1.7
215.17941	4.6
223.14706	2.2
225.16460	2.5
229.19704	2.9
231.21237	3.1
234.80504	1.7
239.18022	3.1
241.19547	10.6
251.17850	1.9
256.18607	1.8
257.19095	3.8
259.20572	19.1
261.22226	3.5
327.23254	2.0
333.24234	14.0
335.25842	21.0
367.30142	2.1
449.34268	2.2
503.37509	1.9
519.42041	7.5
537.43005	4.8
541.38934	2.2
593.45526	6.9
611.46692	100.0
612.47412	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01875	2.0
55.05510	20.4
56.32047	1.3
57.03431	5.3
57.07072	2.8
62.44772	1.4
65.03952	1.7
67.05505	47.8
69.07066	18.7
69.23618	9.2
69.24049	6.8
71.04999	2.7
71.62854	1.4
73.06584	1.5
79.05491	41.4
81.07056	62.1
83.04964	2.6
83.08617	8.3
85.06538	2.2
91.05482	32.0
91.06072	1.5
92.05829	1.4
93.07045	39.3
95.04969	6.2
95.08604	41.9
96.08929	1.8
97.06541	2.0
97.10174	3.3
103.05455	2.3
105.07030	36.6
107.08595	25.0
109.06568	1.4
109.10143	14.1
115.05411	1.7
117.07012	14.8
119.08577	31.8
121.10134	21.0
123.08041	1.5
123.11739	6.1
128.06233	3.1
129.07011	8.9
131.08560	24.1
133.10126	26.9
135.11679	15.4
137.13351	1.5
141.06995	3.5
142.07774	2.4
143.08563	16.5
145.10118	28.8
147.11691	18.9
149.13237	6.6
155.08601	6.4
157.10114	15.1
159.11707	20.9
161.13234	13.5
167.08554	1.9
169.10135	8.1
171.11697	14.9
173.13243	14.6
175.14853	7.1
181.10104	3.0
183.11716	7.9
185.13255	10.1
187.14874	6.5
189.16206	1.5
195.11734	4.4
197.13354	5.1
199.14807	7.7
201.16383	2.5
209.13257	2.2
211.14815	4.0
213.16444	5.3
215.17944	1.6
223.14981	1.6
227.18130	2.2
229.19632	2.5
237.16396	1.9
239.17905	1.9
241.19554	12.8
243.21077	1.9
257.19003	3.7
259.20538	17.1
261.22382	4.0
267.21173	1.7
277.21664	2.1
333.24261	8.3
335.25867	13.5
353.28387	2.1
383.99878	1.4
501.08395	1.5
519.41980	10.0
527.37598	1.7
537.43024	3.6
593.45490	9.4
611.46698	100.0
612.46716	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01869	1.5
55.05513	20.0
57.03426	5.5
57.07071	3.8
65.03941	2.3
67.05506	44.5
69.07068	17.7
69.23795	14.2
71.04993	2.0
71.08620	1.5
79.05070	1.1
79.05493	31.5
79.50379	1.2
81.07055	41.1
81.37800	1.3
82.07381	1.4
83.08608	6.8
85.06567	1.6
91.05479	29.2
93.07040	37.9
93.07629	2.0
93.85616	1.3
95.04974	3.9
95.08606	37.2
97.06495	2.5
97.10201	1.7
102.14891	1.3
105.07029	28.9
105.07686	2.1
107.08598	21.1
109.06503	1.9
109.10148	15.3
115.05451	2.0
116.38783	1.3
117.07019	12.0
119.08581	27.3
121.10125	15.5
121.72987	1.2
123.08131	2.3
123.11712	4.8
128.06232	2.7
128.62924	1.7
129.07011	10.2
131.08566	22.1
133.10123	20.5
135.11699	10.8
137.13312	1.4
141.07016	3.3
142.07767	3.3
143.08559	14.5
145.10121	22.0
147.11710	18.1
149.13243	7.7
155.08603	5.9
156.09364	2.9
157.10143	13.5
159.11699	16.9
161.13252	13.1
163.14883	2.9
166.40315	1.3
167.08554	2.4
169.10120	8.7
171.11662	14.7
172.70726	1.2
173.13254	12.8
175.14809	7.8
181.10123	3.5
182.10785	1.4
183.11636	7.6
185.13222	9.6
187.14839	5.1
195.11743	3.2
197.13255	5.3
199.14864	7.8
201.16458	4.3
209.13298	3.1
211.14738	3.0
213.16438	3.7
215.17995	1.6
221.19362	1.4
223.14813	1.9
225.16295	2.4
227.17981	2.1
229.19426	2.4
237.16431	2.1
239.18004	3.6
241.19708	8.8
243.21158	2.2
255.21054	1.3
257.19043	3.5
259.20593	17.4
261.22205	3.8
271.20541	1.5
281.22708	1.4
281.65347	1.5
297.22150	2.1
299.23904	1.7
315.23303	1.9
331.22745	2.0
333.24265	7.4
335.25769	12.1
335.89069	1.4
343.26624	1.5
353.28598	2.6
357.27939	1.2
369.28018	1.4
380.39990	1.3
405.31967	1.3
501.41251	2.5
519.41724	6.1
537.43219	5.6
593.45782	7.9
611.46649	100.0
612.47467	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	611.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.05497	22.3
57.03439	6.9
57.07054	8.2
62.85246	6.3
67.05492	19.8
69.03424	16.8
69.07060	63.8
70.06589	12.4
71.04987	17.7
71.09325	13.6
75.98912	5.9
79.05499	17.3
81.03416	13.2
81.07059	73.6
83.05010	7.8
83.08615	20.5
83.93405	6.4
84.04501	8.2
85.02914	40.3
85.06539	15.8
86.09698	9.1
87.00812	9.1
91.05472	13.7
93.07038	37.5
95.04932	8.9
95.08600	52.0
97.02874	18.6
97.06514	7.3
97.10172	13.2
105.01875	6.1
105.07025	16.6
106.84056	6.1
107.04961	7.7
107.08584	25.5
109.02845	7.6
109.06485	7.7
109.10154	40.4
111.08119	8.1
111.11718	9.2
117.07067	6.4
119.08561	14.3
121.10147	25.2
123.11695	26.7
124.99958	7.3
127.03860	11.6
127.77532	5.5
130.04991	9.4
133.10150	13.1
135.11687	17.6
137.05984	12.0
137.13219	11.9
139.11221	8.0
145.02855	10.1
147.04387	14.8
147.11667	8.7
149.13263	16.0
153.01733	9.5
159.02966	6.4
161.13284	6.7
163.03841	7.6
163.14842	10.3
167.07056	23.7
169.22762	6.0
177.05469	16.7
177.16338	7.7
178.05952	6.3
181.05002	7.9
191.17906	6.7
201.98460	6.3
205.19524	9.4
213.18436	6.3
217.19540	6.0
259.86099	6.4
273.22922	9.7
273.25848	16.7
279.26706	8.5
287.05463	43.4
291.26892	38.2
303.04971	36.8
309.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24891	0.6
57.03419	1.7
60.62864	0.5
61.02914	1.4
61.96927	0.6
64.32860	0.6
66.44958	0.6
69.48389	1.4
69.48789	4.4
71.04992	11.8
73.13248	0.6
85.02901	15.2
87.30062	0.6
91.03939	0.9
97.02893	1.2
97.34428	0.6
100.45597	0.6
111.04429	0.8
118.07630	0.5
121.02853	1.1
129.05463	2.3
134.95755	0.6
137.02353	3.1
147.06490	1.2
149.02310	0.7
153.01839	3.5
161.32755	0.6
163.03864	0.6
165.01779	2.0
179.03148	0.7
180.39102	0.6
183.03014	0.7
201.05479	2.2
229.04877	4.0
257.04480	2.5
259.31494	0.7
285.03894	1.1
287.05591	1.4
303.04971	100.0
304.05313	2.4
345.05603	0.6
447.09103	0.7
465.10165	1.3
565.30383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.1
67.05508	4.6
69.03444	3.0
69.07051	4.1
69.36921	25.1
70.06593	4.3
71.04993	19.0
79.05469	4.3
81.07047	11.2
83.08624	3.2
85.02911	29.0
85.25088	3.3
87.00838	2.5
91.05466	3.7
93.07053	5.4
95.04984	2.8
95.08595	6.4
97.02851	3.6
103.05447	6.3
105.01865	5.6
105.07043	4.6
107.08582	3.8
108.68317	2.7
109.02834	5.4
109.10181	5.9
121.02876	5.6
121.06509	3.5
121.10142	3.9
123.11791	3.6
127.03916	6.4
129.05542	3.8
131.04924	4.2
133.06500	9.4
137.04907	3.6
137.05969	64.2
145.02832	4.2
145.06456	4.3
147.04416	6.8
149.13292	5.7
151.07549	3.7
153.01720	2.8
161.05946	3.1
161.28282	2.6
163.07555	12.7
166.80606	2.5
174.06752	3.4
175.07463	3.3
177.05560	2.7
177.16273	3.3
187.07570	3.1
191.78024	3.0
208.03198	2.8
226.57590	3.1
240.63391	2.8
260.15515	2.5
287.05466	36.6
291.26758	3.8
295.13196	4.7
303.04968	100.0
304.05316	7.3
327.15933	9.6
393.16611	3.1
465.10275	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	611.16
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03946	0.4
53.40696	0.2
55.01849	0.4
55.05499	0.4
56.99877	0.2
57.03435	2.7
61.02928	0.4
61.40919	0.2
65.03938	0.2
68.99798	0.5
69.03404	0.4
69.22488	2.5
71.04990	18.0
73.02906	0.4
75.04476	0.5
83.04974	0.7
85.02901	19.8
87.04451	0.6
93.03404	0.3
95.04964	0.3
97.02896	0.2
111.00780	0.9
111.04449	0.6
121.02878	1.0
123.04433	0.2
127.03905	0.4
129.05473	4.4
137.02304	3.5
142.52444	0.2
147.06483	0.7
149.02303	0.5
153.01834	3.3
163.03915	0.5
165.01817	2.1
170.50537	0.2
183.02856	0.8
183.04320	0.3
187.03833	0.3
195.02917	0.3
201.05437	1.4
215.03447	0.3
229.04991	3.6
247.06052	0.7
257.04407	2.5
274.04633	1.1
275.04938	0.2
285.04001	1.3
287.05493	2.1
302.04044	0.4
303.04971	100.0
304.05304	1.9
315.04910	1.3
327.04889	0.3
335.28452	0.2
341.06537	0.2
345.06100	1.3
368.00180	0.2
369.05914	0.8
413.08755	0.3
449.10568	1.3
458.11203	0.2
465.10309	9.7
466.10562	0.4
510.09317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89615	0.2
56.17956	0.2
57.03419	0.8
61.02923	4.1
68.99790	0.5
69.03416	0.7
69.51889	0.2
69.52207	1.2
71.04992	1.8
73.02917	0.9
79.88557	0.2
81.03439	0.9
81.03803	0.2
83.04966	0.2
83.61266	0.2
84.04472	0.5
85.02901	5.3
91.03950	1.9
95.04975	0.3
97.02888	2.0
105.03407	0.3
107.04942	0.3
111.00780	0.7
114.03757	0.2
117.46203	0.2
119.04919	0.3
121.02863	2.7
125.40273	0.2
127.03909	0.8
129.05452	0.4
129.06984	0.2
130.05032	0.9
133.02876	0.4
137.02368	1.1
145.04988	0.3
145.06561	0.2
147.04419	1.3
147.07616	0.8
153.01813	3.6
157.06448	0.3
165.01825	1.8
171.02969	0.2
183.02933	0.8
185.05952	0.4
193.12180	0.3
193.73924	0.2
197.06123	0.2
201.05484	0.4
203.07063	0.2
213.05370	0.9
229.04988	0.8
231.06564	0.8
241.04922	0.9
257.04364	0.2
258.05142	1.0
259.05963	0.5
269.04245	0.3
285.03842	0.3
285.16812	0.2
287.05481	100.0
288.05801	1.5
303.04965	12.1
317.06351	0.3
329.06519	0.3
345.52496	0.2
380.43491	0.2
442.84668	0.2
449.10794	5.4
465.10257	1.4
498.01108	0.2
615.71393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
53.28949	0.2
53.99823	0.2
55.05499	0.3
57.03433	2.0
60.26580	0.2
61.02924	1.6
68.99788	0.4
69.03416	0.5
69.92974	0.2
70.69998	0.6
71.04988	10.1
73.02901	0.7
75.04473	0.3
76.02213	0.9
77.02551	0.2
79.74426	0.2
81.03419	1.0
83.04989	0.3
83.08611	0.2
84.04481	0.3
85.02899	14.0
87.04442	0.3
91.03946	1.2
91.47276	0.2
93.03414	0.3
95.04974	0.5
96.70374	0.2
97.02887	1.3
105.03428	0.2
109.02874	0.6
111.00785	0.6
111.04434	0.6
118.91163	0.2
121.02864	1.0
123.04436	0.2
127.03893	0.5
129.05470	3.4
137.02332	2.5
137.03288	0.3
145.04921	0.6
147.04430	0.2
147.06535	1.0
149.02295	0.3
153.01814	3.0
155.04831	0.3
162.02191	0.3
163.02605	0.3
163.03938	0.5
165.01804	1.7
173.05978	0.4
179.04834	0.9
180.04979	0.3
183.02914	0.6
187.03984	0.3
191.03395	0.2
193.12251	0.3
195.02928	0.2
199.96918	0.2
201.05417	1.3
229.04947	3.1
233.05986	0.3
247.06001	0.5
257.04404	2.0
268.16397	0.3
274.04758	0.5
275.05420	0.2
285.03955	0.7
287.05450	4.1
299.05753	0.3
303.04962	100.0
304.05307	2.6
308.09055	0.7
309.09332	0.6
315.04977	1.0
327.05042	0.4
329.06476	0.3
341.06815	0.2
345.05966	1.0
353.06662	0.3
355.08014	0.2
369.05875	0.7
447.08896	0.4
449.10791	0.8
465.10278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.76900	0.1
57.03423	0.5
61.02922	3.8
67.01867	0.1
68.99771	0.4
69.03422	0.8
70.36169	0.4
71.04978	0.3
73.02908	1.2
81.03398	0.3
83.01334	0.1
85.02901	3.8
87.04429	0.1
91.03954	1.8
92.81668	0.1
97.02888	1.9
99.04436	0.2
105.03384	0.2
107.04954	0.2
109.02862	0.3
111.00787	0.5
111.46052	0.1
116.55242	0.1
121.02850	2.7
127.03907	0.7
133.02797	0.5
137.02313	0.9
145.04938	0.5
145.06538	0.1
147.04398	0.3
153.01817	3.2
157.06462	0.4
161.05870	0.2
165.01837	1.6
171.02945	0.2
171.04393	0.2
175.03903	0.1
183.02890	0.7
185.05963	0.3
189.05464	0.3
197.06113	0.2
213.05447	1.1
231.06458	0.7
241.04955	0.8
258.05255	1.1
259.06000	0.3
269.04391	0.2
275.06375	0.1
287.05472	100.0
288.05826	2.1
299.05399	0.2
303.04932	0.8
329.06454	0.5
340.10687	0.1
353.06360	0.2
431.09738	0.2
449.10764	6.6
450.11523	0.2
461.19620	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	611.1602
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03941	0.5
55.01855	0.6
57.03432	2.7
61.02905	1.6
68.99789	0.8
69.03429	1.2
69.41638	2.1
69.42054	1.5
71.04989	17.5
73.02900	1.0
74.81896	0.4
75.04489	1.0
75.66455	0.4
76.02242	0.5
81.03392	1.3
82.34032	0.4
83.04988	0.6
85.02901	21.5
87.44719	0.4
88.41669	0.4
91.03944	0.8
95.04977	0.4
97.02872	2.1
97.06514	0.5
98.20811	0.9
99.04441	0.6
111.00766	1.0
111.04449	0.6
121.02870	2.3
127.03922	1.1
129.05487	3.8
133.10291	0.5
137.02336	3.5
145.04872	0.6
147.04454	0.7
147.06461	0.6
149.02351	0.6
153.01813	3.9
161.05959	0.5
163.03888	0.5
165.01834	1.9
183.02849	1.0
188.40984	0.5
189.23120	0.4
200.15857	0.5
201.05446	1.4
213.05479	0.4
229.04990	2.7
247.05896	0.5
257.02072	0.4
257.04312	2.1
259.41724	0.4
274.04703	0.7
285.03922	1.0
287.05490	22.7
287.18506	0.9
288.05743	0.6
299.05518	2.4
302.04123	0.8
303.04974	100.0
304.05341	2.9
311.05490	0.5
315.04846	0.7
329.06464	2.2
345.06036	0.9
353.06546	1.4
381.34937	0.4
413.08813	0.9
431.09613	1.0
435.17703	0.8
449.10919	2.6
465.10226	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	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63783	1.1
54.58485	1.0
56.96558	1.3
57.78172	0.9
61.59980	1.1
66.88287	1.1
68.99790	6.4
71.56109	1.6
71.56519	1.4
81.03411	3.0
85.02904	1.8
85.71395	1.0
87.17282	1.1
95.05001	1.3
99.04442	1.2
106.85406	1.0
107.04964	1.5
109.02869	3.9
111.00788	6.5
121.02898	1.5
123.04414	10.2
127.03915	100.0
133.02818	1.4
135.04356	1.9
137.05908	1.0
139.03896	81.0
147.04420	8.5
149.02313	1.4
151.03906	28.3
153.01923	1.4
155.03291	1.3
157.06500	1.6
163.03871	6.8
165.05463	3.0
167.03403	4.9
171.04387	1.3
175.03906	13.6
177.05457	4.0
179.03387	30.6
180.03758	1.0
181.04996	3.2
185.05911	1.5
189.05455	3.1
191.03407	8.8
193.04961	3.6
197.05885	1.5
199.03893	2.5
201.05424	2.9
203.03377	17.1
205.04991	1.3
212.51927	1.2
213.05527	4.2
217.04926	4.2
229.04869	4.3
229.82153	1.2
231.06586	1.4
233.04463	4.1
241.04933	1.9
245.04544	8.2
251.05478	2.2
257.04474	9.1
259.06049	2.8
263.05496	14.3
269.04489	2.6
275.05472	14.2
287.05490	46.0
289.07153	2.0
299.05481	16.3
301.07141	1.3
303.04990	2.1
305.06570	4.2
307.08252	6.4
317.06555	14.7
425.08597	14.6
440.94504	1.3
443.09818	5.6
467.08188	1.2
479.43405	1.2
484.47617	1.2
499.67935	1.2
543.90094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	56343-26-1
Peak:m/z	Relative Intensity
52.68966	0.2
55.01862	0.2
57.03424	0.4
57.11692	0.2
57.11957	0.2
61.02918	0.2
62.27903	0.2
65.03925	1.1
65.41528	0.2
68.99790	0.8
69.03423	0.3
70.06585	0.3
70.44592	0.2
71.04994	1.1
71.56984	0.2
71.57399	0.3
81.03401	0.9
85.02907	1.6
89.03909	0.3
91.04893	0.4
91.05473	9.0
95.04944	0.6
97.02866	1.1
105.07096	0.2
107.04968	0.5
109.02856	0.7
111.00813	1.0
111.04460	0.2
117.03407	0.2
119.04934	20.2
121.02860	1.4
123.04400	0.4
127.03934	0.7
129.05470	0.2
131.04890	0.3
135.04408	0.5
137.02321	3.6
137.05940	0.5
145.02792	0.4
145.06500	0.2
147.04401	67.4
148.04738	0.4
149.02325	0.6
153.01817	5.5
155.04883	0.4
157.06456	0.3
161.06036	0.3
163.03917	1.7
165.01805	2.3
165.05479	2.2
166.02643	0.3
172.24745	0.2
173.06004	0.9
177.05452	0.4
183.02959	1.1
183.04378	0.4
187.03931	0.3
195.02843	0.4
201.05466	2.4
205.04877	0.2
213.05536	0.5
217.79524	0.2
219.02818	0.2
219.06519	0.3
228.04247	0.3
229.04945	5.0
229.08482	0.3
231.06593	0.5
239.03421	0.3
247.06017	0.9
257.04459	3.6
274.04700	0.9
285.04025	1.6
287.05499	4.4
291.08536	1.0
303.04968	100.0
304.05383	0.7
309.09604	0.7
315.05045	0.5
345.06046	0.8
377.02094	0.3
411.07288	0.2
464.21588	0.2
465.10187	0.4
586.30963	0.2
611.30792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05507	13.5
57.03428	3.3
57.07078	1.5
60.82480	1.1
61.24161	1.2
66.29535	1.2
67.05172	2.2
67.05506	27.3
69.07057	12.4
69.48974	1.2
69.90690	3.4
69.91080	3.9
79.05491	15.7
81.07055	21.7
83.04984	2.6
83.08637	9.7
84.21596	1.2
91.05467	14.3
93.07037	16.6
95.04937	2.7
95.08601	21.3
97.06506	1.9
97.10164	3.5
105.07028	15.2
107.08606	12.6
109.10155	8.9
112.63167	1.4
117.06995	7.3
119.08584	13.3
121.10140	8.3
123.07992	1.5
123.11702	2.3
125.09682	2.2
128.06248	4.3
129.06993	8.7
131.08578	15.1
133.10129	10.3
135.11717	4.5
137.13274	1.9
141.07021	4.8
142.07799	2.8
143.08560	14.8
144.09308	1.7
145.10117	14.3
147.11729	6.0
149.13228	1.6
153.06960	1.9
154.07841	1.3
155.08553	13.7
156.09381	2.1
157.10129	14.1
158.10927	1.8
159.11656	10.0
161.13335	2.8
163.14870	1.7
167.08591	5.2
169.10152	17.1
171.11681	13.1
173.13316	5.8
175.14928	1.5
176.07445	1.2
179.08488	3.1
181.10147	8.9
183.11694	15.8
185.13231	9.5
187.14868	4.6
189.16394	1.6
193.10220	3.8
195.11734	8.8
197.13239	11.3
199.14821	7.1
201.16438	1.4
207.11714	2.5
209.13219	9.2
211.14859	7.6
213.16451	5.7
215.18077	1.9
221.13388	2.5
223.14861	6.9
225.16475	5.3
227.18137	2.3
235.14825	2.9
237.16403	3.8
239.18102	3.3
249.16368	2.4
250.17180	1.6
251.17972	3.1
269.19009	1.5
275.20349	1.6
283.20639	1.9
293.22504	1.9
307.20676	1.7
309.18576	1.6
309.22141	2.4
323.23737	1.7
337.25504	2.4
351.26968	2.1
381.28165	1.6
391.30023	1.8
447.32745	1.8
474.71851	1.6
499.39478	2.8
517.40491	17.4
535.41620	8.5
539.37555	2.4
540.37994	1.8
563.12689	1.4
573.43323	2.2
591.44208	12.4
609.45148	100.0
610.45337	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	610.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01869	1.9
55.05512	3.5
57.03439	4.7
57.42631	1.4
58.99586	16.8
61.95644	1.1
67.05506	6.7
69.03406	2.5
69.07055	2.3
71.03265	2.7
71.04989	18.1
73.82720	1.2
76.02223	100.0
76.03987	6.0
79.05486	9.6
79.52586	1.2
81.03413	63.5
81.07033	7.2
83.04988	3.2
83.08615	10.5
84.04495	22.6
85.02906	20.0
85.03988	2.0
86.05069	1.4
86.99054	4.3
88.02206	2.3
91.05465	12.1
93.07040	5.2
95.04963	16.8
95.08607	2.1
97.02903	2.5
102.05561	1.9
105.07022	7.0
107.04952	4.0
107.08599	1.6
109.06507	2.6
111.08077	4.7
116.01672	25.6
117.07039	1.2
119.04912	1.3
119.08582	5.5
120.08135	2.6
121.10150	3.0
123.08048	1.3
129.05476	4.3
129.07008	5.4
130.04997	15.8
131.08580	4.6
133.06500	1.9
133.10130	2.7
133.31233	1.3
137.02330	3.5
142.03212	11.9
144.01129	15.5
147.04411	6.5
147.08055	1.4
147.11708	5.0
149.09604	3.1
153.01817	3.0
157.10115	5.8
162.00822	1.8
162.01076	0.9
162.02191	47.1
165.01842	3.6
170.02727	4.0
175.11176	7.2
177.03296	4.4
179.04842	89.0
184.99614	1.2
187.05424	4.2
193.12233	32.9
211.13332	3.0
215.04915	2.3
229.04956	4.7
233.05913	23.9
245.05867	3.7
257.04520	3.5
267.15897	17.2
274.04556	2.1
285.07739	2.2
285.16870	6.4
286.07904	3.4
287.05429	3.9
290.07974	1.9
291.06519	1.4
301.03598	1.9
302.04178	10.1
303.04974	97.9
308.09082	90.8
315.04977	1.4
465.10193	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	1.6
55.05510	15.0
57.03424	2.8
57.07057	1.7
65.03929	1.7
67.02928	0.8
67.05502	24.1
69.07072	13.4
69.31831	1.0
69.53620	7.5
79.05485	15.2
81.07056	24.4
83.04971	1.2
83.08620	7.3
91.05480	14.3
93.07043	16.2
95.04977	1.8
95.08604	22.0
97.06525	1.8
97.10175	3.8
105.07038	14.1
105.14386	1.0
107.08585	12.4
109.06565	1.3
109.10152	9.0
110.58626	1.2
111.08078	1.3
115.05443	1.2
117.07018	8.3
119.08583	16.0
121.10139	8.7
123.08074	2.2
123.11711	2.8
125.09581	1.3
128.06252	3.2
129.07007	11.9
131.08562	13.5
133.10132	9.4
135.08083	1.0
135.11684	5.2
137.13281	1.9
141.06970	6.0
142.07764	4.3
143.08565	18.2
144.09343	1.3
145.10104	15.2
147.11681	6.8
148.85651	1.0
149.13228	1.9
153.06967	1.8
154.07823	1.5
155.08545	13.9
156.09186	1.0
157.10112	15.9
158.10825	1.0
159.11681	10.6
161.13272	4.3
163.14720	1.0
165.07036	1.6
167.08569	8.1
168.09389	2.4
169.10120	17.5
171.11668	11.5
173.13264	7.1
175.14835	2.2
179.08598	2.2
180.09377	1.1
181.10089	10.3
182.10841	1.8
183.11710	17.4
185.13235	10.3
187.14838	4.2
193.10144	3.6
195.11716	9.2
196.12350	0.9
197.13228	13.2
198.13986	1.2
199.14830	8.8
201.16364	2.3
205.10057	1.1
207.11732	3.2
208.12520	1.2
209.13202	8.3
210.13858	1.1
211.14818	8.1
213.14694	1.2
213.16368	4.7
219.11658	1.9
221.13289	2.7
223.14861	7.3
225.16318	7.6
227.18037	3.6
233.13199	2.1
235.14854	2.2
237.16389	6.5
239.18036	3.3
241.19662	1.7
249.16412	2.5
251.18015	3.2
253.19553	1.1
257.19196	1.1
263.17978	2.4
265.19446	1.7
267.21280	1.4
277.19443	1.5
285.18268	1.1
293.22739	1.5
295.20560	1.0
309.22125	1.9
313.12836	1.0
321.22034	1.2
323.23840	1.7
335.23779	1.6
337.25253	1.7
351.26685	2.1
363.26706	1.7
365.28412	2.7
377.28323	1.6
391.30157	1.7
393.31876	1.4
405.31845	1.4
409.30978	1.6
433.30789	1.0
447.32376	1.8
473.32916	1.2
475.35599	2.1
499.39456	3.1
513.36432	1.2
517.40521	17.7
535.41479	10.4
539.37402	1.4
565.42230	1.4
573.42773	2.0
591.44037	14.9
609.45087	100.0
610.45343	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.5
53.03724	2.2
53.03939	12.2
55.01876	14.9
55.05512	28.0
56.84946	2.3
57.03436	6.0
57.07058	2.4
65.03943	5.1
67.05503	93.5
69.07065	42.4
72.05985	2.2
75.56770	2.1
77.03917	3.0
79.05490	90.5
81.03431	9.5
81.07054	100.0
83.04974	7.6
83.08614	13.2
85.06550	4.9
91.05479	97.7
93.07040	85.3
95.01334	14.2
95.04961	28.5
95.08603	64.8
97.06537	21.3
97.10141	5.5
99.04446	3.8
103.05468	5.3
105.04518	3.0
105.07027	96.7
107.04942	20.7
107.05540	2.3
107.08591	44.0
109.06524	8.7
109.10168	18.4
111.08047	4.6
115.05445	2.4
117.07012	25.8
119.08573	54.3
119.09362	4.3
121.06525	5.4
121.10136	23.6
123.08060	4.7
123.11694	3.0
129.07028	7.2
130.07825	2.3
131.08548	40.4
133.06490	2.5
133.10133	53.6
135.08046	3.8
135.11714	15.8
137.09622	5.2
143.08551	5.0
145.10129	29.4
147.11684	22.3
149.09642	7.1
149.13252	6.7
151.11165	4.6
157.10107	3.1
159.11678	18.2
161.13300	7.7
163.11198	5.9
171.11737	2.6
173.13310	6.3
175.14841	2.5
177.12781	5.1
179.14325	19.9
183.11673	4.1
185.13329	2.8
197.13422	4.5
219.13892	3.0
219.17435	40.8
221.98610	2.4
227.75391	2.9
229.72670	2.3
247.20500	3.6
257.19058	5.6
275.20059	90.5
293.21021	5.2
408.64996	2.2
609.45129	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
57.03427	2.7
59.87723	2.2
67.05499	3.7
69.03431	7.0
69.07061	3.3
70.04449	8.1
70.06573	6.1
71.04992	11.6
72.29305	2.2
73.02900	2.1
79.05489	5.2
81.03437	3.2
81.07052	5.6
84.08130	10.2
85.02895	19.0
85.23349	1.8
86.09725	2.9
87.00831	3.2
91.05493	6.8
93.07042	2.4
95.04972	4.2
95.08596	5.1
97.02889	6.9
98.21455	2.1
103.05445	2.2
105.07050	4.4
107.08609	4.8
109.02870	3.4
115.03935	2.3
117.01743	2.0
117.07015	2.7
119.08598	2.3
120.08106	4.7
121.06476	2.8
127.03918	9.1
129.05505	4.0
129.07002	7.0
131.08565	7.5
133.10132	2.2
134.03639	2.1
136.07573	5.2
137.02255	2.1
137.05975	7.9
139.03838	3.1
141.07011	5.0
145.05000	2.1
145.06441	2.4
147.04340	3.5
151.03886	7.4
151.07504	2.4
153.01842	5.8
157.06493	5.7
159.08047	5.8
161.06007	3.5
161.09509	2.5
164.06984	2.3
167.07014	2.3
174.06778	14.2
175.07594	4.8
177.05463	3.6
179.03387	4.2
181.04942	2.2
186.06757	2.4
189.09094	22.9
201.09132	7.8
203.10640	9.9
207.02917	4.7
219.10150	83.6
229.04843	2.8
241.04977	7.7
259.87354	2.0
269.04376	12.3
286.04794	12.9
287.05453	3.4
301.03552	5.2
301.07040	100.0
327.04980	5.4
330.94092	2.3
415.09970	5.5
433.29611	2.8
447.12891	9.9
463.12265	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03946	1.3
53.71326	0.7
55.01864	1.9
55.05511	7.5
57.03426	2.0
57.07074	0.7
65.03934	1.2
67.05505	16.9
69.07069	6.3
70.10467	3.3
71.04971	0.8
79.05063	1.2
79.05491	16.8
81.03400	0.7
81.07057	16.5
83.04996	1.1
83.08622	3.4
89.30444	0.6
91.05473	13.4
92.05823	0.7
93.07041	14.7
95.04960	3.4
95.08607	12.0
97.06534	2.5
97.10146	2.0
105.07026	10.8
107.04941	1.2
107.08597	9.7
109.06531	1.6
109.10159	4.9
117.07011	5.0
119.08594	8.0
121.10157	6.1
123.08097	1.0
123.11675	1.2
128.06253	0.8
129.07002	3.6
131.08572	9.6
133.10092	5.8
135.11720	2.7
141.06985	1.0
142.07758	1.1
143.08546	4.3
145.10133	12.8
147.11646	4.6
149.09625	1.8
149.13280	1.4
151.11191	0.8
155.08585	1.8
157.10130	4.0
159.11679	5.5
160.49268	0.7
161.13263	2.1
163.11189	1.5
163.14915	0.7
167.08563	1.1
169.10149	2.9
171.11726	3.5
173.13283	2.9
179.14323	0.7
181.10236	1.5
183.11691	3.8
185.13252	1.8
187.14957	0.8
195.11771	1.4
197.13333	2.4
199.14847	1.2
201.16328	0.9
211.14801	1.0
213.16144	0.7
221.10776	0.6
227.17955	0.7
229.19571	1.4
237.16537	1.1
239.17984	3.0
257.19034	4.6
261.22061	0.7
275.20062	10.1
293.21246	1.4
331.22748	1.5
335.25821	2.2
340.31967	0.9
365.61975	0.7
391.19437	1.0
405.20847	1.4
415.18848	1.2
416.20706	1.0
428.20203	0.8
429.20776	2.5
430.21591	0.9
431.18048	1.2
433.24091	2.2
443.22604	0.9
444.23312	2.4
445.19763	1.2
447.22067	2.1
449.23633	0.9
459.21457	3.8
460.22418	2.4
461.18628	1.2
461.23416	3.9
462.20700	2.0
463.21561	1.4
471.22272	0.9
472.22574	2.5
473.23727	1.4
475.20377	1.0
475.25775	0.8
476.22000	3.3
477.22855	1.9
485.23395	2.0
487.24966	4.5
489.23141	2.2
503.24554	2.4
505.19165	0.8
505.26022	0.9
506.22525	0.9
517.40387	2.0
519.24310	1.9
521.21881	2.6
531.23956	23.7
532.24274	1.4
534.23236	0.9
535.40973	1.1
549.24976	11.2
563.26831	1.2
591.26160	2.7
591.44055	1.1
608.44482	0.9
609.27075	100.0
609.44427	22.1
610.27295	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01850	1.7
61.02930	2.1
67.05531	2.0
67.07081	1.9
69.03426	4.7
69.23679	2.1
70.06604	3.4
70.78055	5.7
76.01196	2.1
77.07486	1.8
77.78494	1.8
79.05493	2.8
81.03399	4.3
81.07037	2.6
84.04522	2.1
85.02904	7.4
85.94616	1.8
87.00803	3.4
95.04948	2.1
95.08591	2.9
97.02905	3.2
103.05493	1.9
105.01890	2.9
107.08527	3.0
109.02871	4.5
117.07034	1.8
117.20167	1.7
119.08529	1.9
127.03918	4.8
129.07011	8.0
131.04921	2.4
131.08591	9.1
133.71898	1.8
137.05962	13.4
138.06279	3.2
141.06982	4.0
141.55142	2.0
147.04308	3.1
149.04997	2.2
151.03886	5.9
157.06490	5.2
158.07251	3.0
159.08054	7.1
169.06503	3.9
174.06746	11.9
175.07532	6.4
187.07599	3.2
189.09091	23.8
191.10637	2.8
201.09125	6.6
203.10669	7.0
219.10149	100.0
287.05463	3.3
301.06976	7.1
342.14111	3.3
360.15216	4.2
573.01233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67861	0.7
57.03432	1.3
65.03932	1.1
67.05493	1.8
69.03434	1.1
69.07068	1.8
69.56123	2.4
69.56528	5.4
70.06585	2.3
71.05008	1.1
79.05497	1.2
80.43272	0.8
81.03410	1.0
81.07050	3.0
84.08142	1.5
85.02898	2.5
86.09711	1.9
89.03922	2.5
91.05476	14.4
93.07049	2.3
95.08578	1.5
97.02879	1.4
97.06543	1.4
105.07056	1.1
107.48431	0.9
109.02880	1.1
109.10116	1.3
111.08105	1.2
117.03371	8.2
119.04940	29.8
119.05786	1.9
121.10097	1.3
131.04945	1.4
131.08548	1.1
134.03595	1.3
135.04460	1.1
137.05989	1.3
138.02208	2.0
145.02843	28.4
147.04402	100.0
149.05962	3.1
177.05463	53.4
178.05908	1.5
223.06055	0.9
251.09094	1.1
286.98804	1.0
292.26117	1.1
323.07516	8.9
353.08783	4.3
357.75742	1.1
397.12448	2.3
409.33005	1.2
544.50372	1.3
608.49963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1806
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.03928	0.5
55.05486	0.4
57.03414	1.2
60.36290	0.4
63.24838	0.4
67.05500	0.8
69.03407	1.0
70.06568	0.7
71.04987	7.2
71.56767	0.4
71.57149	0.6
75.04465	0.6
79.05472	0.7
81.03403	1.4
81.07039	0.6
83.04945	0.8
84.04500	0.5
84.08101	0.5
85.02897	9.1
93.07030	0.7
95.08552	0.7
97.02863	0.8
100.68666	0.4
105.07018	0.9
109.02839	0.5
119.08560	0.6
120.08110	0.6
121.06476	0.4
121.10161	0.4
129.05453	1.8
131.04858	0.4
131.08513	0.6
133.06143	0.4
134.03648	1.0
144.24338	0.4
147.04430	0.4
149.02333	0.6
151.03838	0.7
153.01793	6.6
170.02016	0.6
177.05440	0.7
179.03452	0.5
181.05006	0.5
189.09164	0.6
199.03911	0.6
201.05412	0.4
207.02829	0.6
207.06433	0.4
213.05440	1.9
219.10156	1.3
229.04953	2.6
230.05716	1.3
237.62114	0.4
241.04916	7.0
245.07997	0.8
258.05276	0.6
269.04431	11.1
285.03931	0.8
285.16678	0.5
286.04675	12.5
287.05374	0.7
301.07037	100.0
302.07364	1.6
303.04947	0.5
315.33890	0.4
327.04922	0.9
415.10059	1.4
447.12732	1.4
463.12366	6.4
496.05704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67861	0.7
57.03432	1.3
65.03932	1.1
67.05493	1.8
69.03434	1.1
69.07068	1.8
69.56123	2.4
69.56528	5.4
70.06585	2.3
71.05008	1.1
79.05497	1.2
80.43272	0.8
81.03410	1.0
81.07050	3.0
84.08142	1.5
85.02898	2.5
86.09711	1.9
89.03922	2.5
91.05476	14.4
93.07049	2.3
95.08578	1.5
97.02879	1.4
97.06543	1.4
105.07056	1.1
107.48431	0.9
109.02880	1.1
109.10116	1.3
111.08105	1.2
117.03371	8.2
119.04940	29.8
119.05786	1.9
121.10097	1.3
131.04945	1.4
131.08548	1.1
134.03595	1.3
135.04460	1.1
137.05989	1.3
138.02208	2.0
145.02843	28.4
147.04402	100.0
149.05962	3.1
177.05463	53.4
178.05908	1.5
223.06055	0.9
251.09094	1.1
286.98804	1.0
292.26117	1.1
323.07516	8.9
353.08783	4.3
357.75742	1.1
397.12448	2.3
409.33005	1.2
544.50372	1.3
608.49963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.9
55.01863	5.6
55.05512	21.9
57.03429	8.1
57.07056	3.0
63.23764	2.2
65.03931	5.0
67.05500	70.9
68.05809	2.0
69.03424	25.2
69.07065	25.7
69.78519	1.6
71.01318	2.3
71.04984	9.4
73.02873	2.5
73.26403	1.7
78.48842	1.8
79.05486	59.4
81.03413	71.1
81.07051	100.0
83.04977	15.5
83.08611	16.6
85.02910	9.2
85.06532	4.8
91.04916	1.9
91.05474	42.0
93.07039	64.7
95.04961	18.0
95.08603	30.2
97.02885	14.8
97.06535	12.4
97.10175	3.0
98.20753	5.7
99.04465	5.8
99.08110	3.6
105.07027	26.0
107.04951	7.6
107.08590	31.7
109.02864	12.1
109.06502	6.4
109.10134	6.4
111.04433	12.6
111.08081	7.6
115.05391	2.4
116.06181	1.8
117.06995	16.2
119.08587	12.5
119.74460	1.9
121.06485	3.4
121.10141	20.8
123.08070	2.7
123.11704	6.1
127.03937	9.7
128.06236	2.1
129.05475	3.0
129.06998	7.6
131.08575	18.7
133.06505	4.1
133.10144	15.4
135.08052	2.8
135.11649	9.8
137.06038	3.2
141.06975	4.0
143.08589	4.6
145.06425	2.7
145.10139	6.1
147.08044	3.5
147.11679	15.0
149.09590	2.5
149.13237	23.4
151.12265	2.1
155.08560	3.7
157.10129	5.4
159.11684	16.8
161.09636	2.8
161.13205	3.5
165.12737	5.6
169.10074	2.4
173.04477	3.0
175.11226	2.4
177.12796	11.4
183.06540	3.5
183.11676	2.4
193.12199	2.5
195.13766	22.2
199.11337	2.2
201.12764	2.2
213.14795	4.2
249.14847	2.4
267.15955	6.0
269.17468	10.6
275.16608	3.5
285.14667	2.9
321.17001	6.1
339.17969	13.3
371.25546	2.3
395.20718	13.3
439.32285	2.0
445.29529	6.4
463.24908	2.0
463.30234	10.2
514.59064	2.0
571.32336	2.5
589.33362	5.7
607.34711	90.9
608.34741	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	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03944	11.0
53.21031	1.8
55.01853	4.7
55.05512	22.0
57.03426	6.9
57.07066	2.7
65.03943	4.4
67.05503	71.2
69.03423	22.0
69.07059	24.2
71.04993	10.3
71.33664	2.4
71.34006	2.4
73.23192	1.5
79.05490	51.7
81.02691	2.0
81.03413	74.5
81.07050	100.0
83.04981	13.1
83.08607	15.5
85.02890	10.8
85.06544	6.6
87.04449	1.8
91.05478	45.5
93.07036	63.2
95.04961	15.2
95.08601	27.5
97.02877	10.6
97.06533	11.6
99.04465	3.3
99.08096	3.3
103.05464	1.6
105.07023	24.8
107.04932	5.0
107.08583	33.4
109.02861	14.3
109.06537	4.9
109.10149	7.4
111.04437	13.0
111.08068	6.9
117.07024	17.4
119.08583	14.4
121.06513	5.2
121.10139	20.0
123.04418	2.2
123.08054	2.0
123.11704	4.7
127.03883	10.4
129.05496	2.0
129.06981	7.2
131.08560	16.8
133.06473	1.8
133.10133	15.0
135.08040	5.0
135.11682	10.4
137.05969	2.4
143.08597	3.6
145.06531	2.0
145.10129	3.9
147.08101	4.1
147.11659	14.6
149.05978	2.4
149.09596	2.4
149.13246	27.7
151.11176	2.2
155.08636	3.6
157.10165	2.7
159.11696	13.5
165.12781	4.6
171.08032	2.4
173.04471	3.8
173.05846	1.7
177.12753	10.1
183.06569	4.5
183.11606	2.4
188.37572	1.9
195.13818	21.5
213.14839	5.1
219.13673	2.3
267.15927	6.9
269.17429	14.3
271.65512	1.9
275.16476	3.5
321.17020	4.8
339.18005	15.1
353.90048	2.0
377.19339	2.7
395.20651	14.2
445.29361	7.5
463.30478	14.0
529.32178	2.3
589.33423	6.0
607.34674	77.3
611.96289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.4
55.01862	6.6
55.05513	25.6
57.03437	8.3
57.07072	2.4
61.02908	2.8
63.39654	1.6
65.03928	5.1
67.05503	70.2
69.03422	25.6
69.07060	26.0
69.78909	1.5
70.08521	8.7
71.01333	2.4
71.04991	10.9
77.03922	2.4
79.05492	54.7
81.02927	2.1
81.03416	81.2
81.07054	100.0
83.04963	16.5
83.08617	17.7
85.02895	11.6
85.06548	5.6
91.05479	43.5
91.66618	1.9
93.07040	66.2
95.04957	15.5
95.08598	32.0
97.02876	13.7
97.06536	13.3
97.10197	3.1
98.21397	2.2
99.04456	5.4
99.08118	2.7
103.05468	2.1
105.07029	27.9
107.04951	9.4
107.08593	37.8
109.02895	14.0
109.06514	5.8
109.10168	8.1
109.17963	1.9
111.04436	10.9
111.08085	4.9
115.05435	3.1
117.07007	18.7
119.08588	13.8
121.06514	5.5
121.10148	21.7
123.08093	2.2
123.11717	7.2
127.03886	12.3
129.05496	2.1
129.07008	6.5
131.04985	2.3
131.08549	22.0
133.06497	2.1
133.10124	18.5
135.08064	4.3
135.11720	11.1
143.08566	5.4
145.06468	3.2
145.10152	5.3
147.11696	16.4
147.22986	1.6
149.13258	25.6
151.11131	2.5
155.08585	3.4
157.10141	3.2
159.08054	2.2
159.11708	13.9
163.11191	1.9
165.12762	7.3
171.11781	2.6
173.04445	3.9
173.09595	2.9
173.13287	1.9
175.11186	2.8
177.12750	8.4
181.10025	1.9
183.11751	3.4
195.13794	23.0
213.14835	3.9
219.13882	2.1
233.15515	2.2
251.16530	3.3
257.15570	3.3
260.14249	1.8
267.15967	6.2
269.17484	11.6
291.30005	2.0
303.16031	4.3
321.16998	5.5
339.17972	10.8
353.24979	2.5
377.19470	2.0
395.20737	10.7
445.29608	12.1
463.30399	11.2
589.33795	3.2
607.34814	80.3
607.44653	4.0
608.34918	4.1
635.51764	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	607.2907
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.50320	0.3
64.71351	0.3
65.86430	0.3
68.80704	0.3
69.63393	0.2
69.81044	1.7
98.21530	0.4
115.82713	0.3
195.03632	0.3
232.96826	0.3
235.12286	0.3
384.74371	0.3
387.16068	0.5
388.16574	0.5
389.17545	1.2
390.18454	0.8
401.17911	0.5
402.18387	1.1
403.19183	4.2
404.19846	1.5
405.20676	2.8
406.21313	0.4
415.18982	1.0
416.20413	1.3
417.16617	1.2
417.21277	4.6
418.21841	2.0
419.17679	0.3
419.22348	4.2
429.20886	0.9
430.17786	1.1
430.22513	0.5
431.18027	9.2
431.23514	0.6
432.18567	2.4
432.23987	0.7
433.23975	10.8
434.24692	1.8
443.18469	0.4
444.18561	0.5
444.23895	0.5
445.19812	11.2
446.20715	5.6
447.21628	6.2
449.23080	0.5
458.21100	0.5
459.21429	6.6
460.22455	16.8
461.23331	16.8
462.24203	0.6
472.22867	0.5
473.23584	4.5
474.24405	1.5
476.21576	0.4
477.22821	1.1
487.25137	2.0
488.26071	0.7
489.22995	0.5
491.24332	1.1
492.25198	1.0
493.25510	0.5
505.21710	4.8
506.26440	1.1
515.23914	0.5
517.22736	0.3
518.22809	0.5
519.24182	2.4
519.26837	2.0
532.24719	1.7
533.25348	0.5
546.21790	0.4
547.26990	36.9
548.27466	2.0
575.26514	1.3
578.24933	0.5
579.29779	0.7
592.26575	0.4
607.29077	100.0
608.29419	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	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
66.38426	0.4
71.56276	0.4
71.56597	0.3
72.63232	0.3
76.64727	0.3
89.42578	0.3
109.00925	0.3
177.01576	0.3
387.16428	0.4
388.16766	0.5
389.17996	0.7
401.17886	0.5
402.18475	0.7
403.19171	3.5
404.20151	1.1
405.20911	1.2
415.19598	0.6
416.19876	1.0
417.16299	0.7
417.21432	3.0
418.21695	1.6
419.22354	2.5
429.21295	0.6
430.17197	0.6
430.22253	0.7
431.17966	5.0
431.23602	0.7
432.18979	0.9
432.23904	0.6
433.19049	0.5
433.23999	6.4
434.24612	0.7
445.19733	6.7
446.20557	2.6
447.21622	2.4
457.20462	0.4
459.21539	3.4
460.22495	8.1
461.23322	7.4
461.29669	0.5
473.23813	1.8
474.24231	1.0
487.25021	0.9
489.22876	0.4
505.22134	0.7
515.24658	0.4
519.28302	0.7
532.24084	0.5
547.27039	32.0
548.27423	1.4
575.26642	0.7
579.29242	0.7
607.29108	100.0
608.29584	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01867	5.7
55.05508	8.5
57.03414	0.8
57.07072	1.7
62.38440	0.7
65.03935	1.5
65.93434	0.7
67.05500	24.3
69.03437	0.9
69.06725	1.1
69.07066	17.3
71.04996	1.4
71.50465	1.2
72.45477	0.6
79.05489	26.7
81.03413	2.8
81.07048	24.5
83.04967	3.9
83.08620	2.9
85.06527	1.1
91.05476	35.7
93.07037	23.3
95.01331	3.5
95.04961	7.0
95.08048	1.4
95.08601	16.5
97.06538	6.8
97.10155	1.8
103.05470	2.9
103.22152	0.7
105.07022	41.8
107.04960	6.8
107.08582	9.0
109.06503	2.8
109.10137	5.1
111.08094	1.3
113.09634	0.7
115.05518	1.0
117.07014	10.3
119.08572	23.0
121.06512	1.6
121.10172	5.7
123.04392	1.4
123.08044	2.0
123.11700	1.4
125.09590	1.0
128.06207	1.4
129.06995	5.6
130.07677	0.9
131.08568	14.5
133.06473	0.9
133.10118	20.5
135.08084	1.8
135.11665	3.8
137.09677	1.7
139.07539	0.9
141.06963	2.4
142.07756	1.5
143.08574	5.6
145.06447	1.3
145.09012	1.2
145.10115	11.7
147.11674	11.9
149.09628	1.9
149.13252	2.5
155.08530	1.7
157.10112	4.7
159.07976	0.8
159.11662	8.3
159.12613	0.7
161.13272	4.9
161.14450	0.8
163.11188	2.1
165.09171	1.1
167.08572	1.0
169.10130	3.4
171.11646	4.4
173.13281	3.0
175.14809	1.3
177.12747	1.8
179.14265	6.1
181.10088	2.5
183.11757	3.2
185.13228	3.8
187.11111	1.5
187.14890	1.1
193.10307	0.9
195.11775	0.8
195.13727	0.8
197.13280	2.3
199.14867	2.5
207.11679	1.0
209.13292	2.0
211.14876	1.3
217.19498	1.0
219.17522	1.8
221.13199	1.0
223.14865	1.5
235.14751	1.1
237.10347	0.8
239.18015	1.4
241.19421	3.6
257.19000	3.2
259.20557	4.6
273.18558	1.1
275.20044	25.0
293.21063	1.8
315.23181	6.1
349.23889	3.1
373.14691	0.8
374.15143	0.7
375.15857	1.1
388.16873	2.0
389.17459	5.1
390.18619	1.8
391.19196	1.9
391.30042	0.8
401.18201	1.2
402.18469	2.6
403.19333	8.9
404.20184	3.5
405.20776	4.8
416.15915	1.1
417.17026	5.4
417.21057	3.9
418.21927	1.4
419.22366	10.3
430.17987	2.6
431.18237	10.4
432.19476	3.2
433.20313	3.8
445.20038	8.3
445.30145	0.9
446.20981	11.0
447.21606	13.9
459.18097	3.0
459.22989	1.1
461.19904	2.1
462.24066	1.0
463.24777	2.4
473.19476	1.0
474.20419	14.4
475.21152	15.9
476.21582	1.0
477.23270	1.4
487.21371	3.3
490.23746	1.5
491.21271	2.7
501.22751	2.2
505.22940	1.2
515.38422	1.0
519.24078	14.7
533.39746	1.3
547.23358	88.4
548.23511	4.5
551.40918	1.4
561.24896	1.5
579.26019	6.4
589.23785	1.4
607.25482	100.0
607.42963	24.4
608.25726	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11779	3.7
53.03937	4.9
55.01867	16.3
55.05510	33.1
55.82986	4.4
57.03436	9.4
57.07073	49.8
65.28394	4.7
67.05504	81.1
69.07068	30.5
71.08629	34.5
71.58865	7.7
79.05487	55.3
81.03399	5.3
81.07053	100.0
83.04948	9.2
83.08628	25.1
85.06499	4.9
85.10163	18.7
91.05468	41.3
93.07035	47.9
95.04990	7.9
95.08604	69.4
97.06527	20.7
97.10158	17.4
105.07010	49.7
107.04941	19.5
107.08594	34.4
109.06508	14.5
109.10145	37.9
117.07014	12.6
117.80324	4.3
119.08565	31.8
121.06528	5.3
121.10121	21.2
123.08099	11.4
123.11689	13.8
125.09653	7.9
129.38324	4.5
131.08539	14.8
131.21556	4.9
133.10130	26.6
135.08055	7.2
135.11707	5.9
137.09525	4.9
137.56221	4.5
139.11256	5.3
145.10085	22.0
147.11667	20.8
149.09612	21.0
159.11670	7.0
161.13249	5.4
163.11154	6.2
173.13300	8.7
189.11256	8.2
225.54565	4.8
227.12796	9.9
233.15211	4.2
239.23683	5.7
244.61176	4.5
257.18936	15.2
275.20047	91.8
293.21152	9.6
313.27338	48.5
349.23709	31.0
587.46698	27.3
605.48413	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
60.55255	0.3
67.05491	0.6
71.02965	0.8
85.17764	0.3
86.20030	0.3
93.07029	0.3
97.55674	0.3
105.07030	0.5
114.95343	0.3
185.10574	0.3
235.12329	0.4
312.14929	0.4
345.50131	0.3
373.14816	0.4
374.15451	0.6
375.16165	1.4
387.16211	0.9
388.16586	1.3
389.17682	4.0
390.18423	1.8
391.19287	1.2
401.17883	0.9
402.14230	0.6
402.18756	1.3
403.15527	0.9
403.19617	4.8
404.20023	2.4
405.20810	3.9
415.14926	0.4
415.19748	0.5
416.16327	1.5
416.20850	0.5
417.16214	5.2
417.21158	2.7
418.17667	1.3
418.21643	1.4
419.22336	7.0
420.22778	0.9
429.16589	0.4
429.21625	0.4
430.17395	1.3
431.18332	8.4
432.19086	3.4
433.19971	4.7
435.21725	0.4
443.18588	0.5
444.19403	0.5
445.20251	7.1
446.20996	9.0
447.21732	9.3
448.22800	0.4
449.19833	0.4
458.21423	0.5
459.17816	1.5
459.22363	1.4
460.18253	0.6
460.23334	0.4
461.19565	2.2
462.24609	0.7
463.20721	0.5
463.25476	0.6
473.19052	0.8
473.24124	0.9
474.20435	6.5
475.21085	4.8
477.23083	0.8
478.23965	0.8
487.21381	1.3
488.21875	0.8
490.23584	0.5
491.19928	2.7
501.22989	1.0
504.21814	0.6
505.22598	0.9
506.23203	0.5
517.22754	0.4
519.24121	18.1
520.24139	0.3
529.21997	0.5
532.21082	0.4
547.23383	12.2
548.23962	0.8
551.26611	0.7
579.26056	5.9
589.24677	0.4
607.25494	100.0
608.25800	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	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84415	1.1
69.76215	5.7
69.76631	2.6
78.57458	1.3
95.08620	1.6
96.42477	1.2
98.20735	1.8
107.71287	1.1
109.14411	1.2
115.80196	1.3
121.48790	1.1
186.49179	1.5
272.22104	1.3
275.20111	2.2
356.19913	1.4
376.63977	1.4
401.17966	1.3
414.18137	1.7
415.19217	5.8
429.20953	10.3
430.21689	5.7
443.22418	4.9
444.23294	8.4
445.23911	3.8
456.19061	1.4
458.25153	3.4
459.21075	3.3
459.26141	2.0
471.22296	1.5
472.22769	4.4
473.23300	5.9
474.24136	2.7
485.23343	3.6
487.24866	21.5
503.23950	2.1
517.26459	2.4
545.25616	14.7
546.26099	2.3
573.25104	2.6
605.27557	100.0
606.27972	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03446	1.9
51.02373	2.5
53.03942	6.3
55.01870	2.7
55.05508	23.0
57.07071	12.5
59.04990	3.5
64.30520	1.7
65.03925	5.2
67.05503	35.0
69.03426	17.1
69.07055	29.5
69.28503	7.5
69.28924	13.8
69.68288	1.8
71.04986	3.6
77.03961	1.9
79.05489	42.0
81.03400	2.8
81.07056	52.3
83.04986	24.6
83.08606	17.9
85.02859	2.0
85.06528	6.6
87.04461	5.3
89.06029	4.0
91.05478	67.5
93.07039	85.9
95.04958	30.4
95.08602	42.8
97.06525	14.5
97.10139	3.6
98.20707	3.6
103.05453	5.5
105.07023	98.6
107.04929	4.9
107.08590	82.6
109.06493	18.5
109.10153	29.7
111.08054	5.3
111.11671	2.7
113.09618	5.8
115.05439	5.6
116.06247	2.2
117.07022	29.5
119.08580	100.0
121.06518	12.3
121.10140	83.9
122.10476	3.2
123.08087	16.7
123.11680	9.9
125.05977	4.3
125.09607	14.7
128.06190	15.1
129.07011	21.6
130.07788	9.8
131.08563	46.3
133.06485	5.7
133.08611	3.0
133.10126	58.3
135.08073	16.1
135.11679	21.8
137.09587	10.6
139.11177	8.3
141.06998	11.5
142.07782	26.6
143.08560	38.1
144.09395	10.3
145.06436	3.7
145.10118	73.7
146.07237	2.7
146.10411	1.9
147.08006	14.6
147.11681	27.1
149.09645	19.3
149.13254	5.3
151.07564	6.9
151.11154	3.8
153.06967	6.3
155.08556	18.1
155.10643	5.4
156.09311	18.1
157.10126	51.4
158.10835	8.9
159.08044	15.2
159.11693	35.9
161.09563	12.1
161.13240	6.9
163.11195	11.4
165.06973	9.2
165.09099	11.8
166.07770	3.0
167.08559	13.3
167.10664	58.7
168.09341	7.9
169.10121	34.0
170.10884	9.7
171.11703	34.8
172.12270	3.0
173.09630	8.4
173.13261	22.7
175.11201	9.4
175.14821	16.0
177.12767	2.0
179.08594	11.4
180.09355	4.4
181.10146	16.7
181.12204	5.1
182.10931	10.6
183.11681	28.6
184.12434	6.4
185.09569	6.3
185.13252	16.1
187.11145	7.1
187.14816	9.2
189.12764	7.0
191.14249	7.3
192.09337	4.6
193.10112	12.9
194.10886	7.7
195.11700	20.9
196.12439	7.9
197.09691	2.9
197.13231	28.0
199.11168	4.6
199.14792	8.9
201.12872	4.8
201.16356	6.2
203.14343	9.2
205.10147	2.1
206.10956	6.5
207.11757	11.5
207.13467	2.2
208.12434	6.6
209.13280	25.7
209.15193	4.0
210.13962	6.0
211.11256	3.0
211.14769	12.5
212.15395	3.5
213.12746	4.3
213.16312	7.1
215.14323	7.2
215.17987	2.1
217.10091	4.1
217.15913	3.6
218.10675	2.1
219.11649	5.2
219.13701	2.5
219.17238	2.1
220.12357	4.2
221.13223	15.1
221.15361	30.2
222.13921	3.4
223.11124	3.3
223.14835	16.4
225.12743	3.5
225.16328	8.2
227.14316	6.9
229.09990	3.2
229.15828	3.7
230.10919	2.6
231.11685	4.5
232.12526	2.6
233.13136	6.9
233.15346	30.9
234.13795	2.9
234.16003	2.7
235.14845	11.4
236.15422	3.1
237.16414	9.2
239.17937	4.3
241.15729	2.8
243.17429	2.4
244.12532	2.5
245.13205	4.5
246.13960	3.5
247.14792	8.2
248.15431	2.5
248.45758	2.3
249.16393	5.9
251.17816	4.3
252.18437	2.5
253.15710	2.5
253.19409	3.2
255.17412	4.1
256.17975	2.1
257.13138	3.2
257.19040	3.1
259.14578	4.1
261.16370	3.8
263.17996	4.9
265.19470	5.7
267.17343	2.4
269.18896	9.8
273.16251	2.6
273.18759	2.7
274.16901	3.6
275.17813	5.1
277.19440	4.4
279.17459	2.5
279.20914	2.3
281.19003	4.0
283.17682	2.1
283.20621	3.5
285.18549	4.0
287.20023	5.2
289.19510	3.3
295.20496	3.3
299.20190	3.7
309.22125	2.4
311.19742	2.7
317.22430	2.4
346.17282	2.4
349.25266	3.4
354.54855	2.4
365.24637	2.9
375.26425	2.3
491.34586	2.2
565.40387	4.0
583.41125	6.8
601.43018	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01845	4.7
55.05506	18.2
57.07054	12.4
59.04981	5.5
65.03928	7.0
65.85944	2.7
67.05501	36.1
69.03415	12.4
69.07067	18.2
69.29648	35.2
71.04985	4.7
77.03924	3.3
79.05487	37.0
81.03383	6.0
81.07055	44.0
83.04970	15.7
83.08614	15.2
85.06528	6.1
87.04452	6.3
91.05473	58.1
93.06477	5.4
93.07039	71.7
95.04954	24.8
95.08594	43.6
97.06528	18.8
97.10175	4.3
98.36104	3.4
103.05446	5.8
105.07023	90.5
107.08590	70.4
109.06470	17.5
109.10160	33.7
111.08070	6.3
113.09666	4.3
115.05440	6.3
117.07047	20.5
117.20631	2.8
119.08572	100.0
120.08856	3.8
121.06499	11.8
121.10129	76.8
123.08053	17.1
123.11691	17.0
125.06004	4.5
125.09608	11.6
128.06223	17.7
129.06987	16.3
130.07813	7.7
131.08557	43.3
132.09024	2.8
133.06458	4.5
133.10117	64.7
135.08049	17.9
135.11655	18.8
137.09613	7.5
139.11148	6.1
141.06955	9.4
142.07779	25.2
143.08536	42.3
144.09293	9.0
145.10110	70.9
147.08064	9.5
147.11690	20.9
149.09612	16.2
149.13359	3.5
151.07457	3.8
151.11214	4.8
153.06911	5.3
155.08548	20.6
155.10617	5.9
156.09409	16.1
157.10129	54.5
158.10750	4.7
159.08095	16.5
159.11665	45.8
161.09541	15.7
161.13202	10.0
163.11154	9.4
165.06992	7.4
165.09074	16.4
166.07759	3.8
167.08530	8.5
167.10658	50.4
168.09358	6.3
169.10130	27.0
170.10971	3.9
171.11697	26.5
173.09598	5.9
173.13260	21.2
175.11189	9.0
175.14838	14.5
179.08517	10.2
180.09294	3.4
181.10056	11.3
181.12199	7.6
182.10837	10.9
183.11694	27.6
185.09648	4.4
185.13240	16.2
187.11180	6.9
187.14812	13.9
189.12810	5.3
191.14296	5.7
193.10130	12.5
194.10826	8.8
195.11644	20.7
196.12373	6.9
197.13287	21.7
198.13695	4.1
199.11081	3.9
199.14812	9.7
201.12733	7.0
201.16371	6.7
203.14275	6.9
205.10123	3.6
206.10953	6.8
207.11771	14.7
207.13666	4.0
208.12410	10.1
209.13287	20.5
210.13896	5.8
211.14816	14.1
213.12697	3.5
213.16313	7.6
215.14357	4.8
217.15834	5.7
219.11699	4.6
221.13222	15.9
221.15366	36.0
222.13977	4.3
223.14841	15.4
225.16351	5.8
232.12285	4.5
233.13231	6.3
233.15306	28.4
235.14752	14.1
237.16345	8.6
247.14685	6.9
249.16441	6.6
251.17979	6.5
257.13141	3.6
257.18765	3.3
261.16275	4.9
263.17780	3.3
267.17511	3.4
269.18985	8.6
270.19519	3.7
273.16254	4.2
275.17810	5.1
277.19696	3.3
281.18964	4.6
295.20627	4.1
299.20059	6.7
322.39709	3.6
491.34586	3.4
583.41003	10.3
601.41992	19.0
616.66785	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23170	3.1
52.23139	3.0
53.03935	5.6
55.01844	4.6
55.05515	20.2
57.07064	12.7
59.04980	4.5
65.03937	6.3
67.05502	31.8
69.03423	21.6
69.07057	21.3
79.05479	35.1
81.03394	4.8
81.07058	43.9
83.04976	17.9
83.08622	11.4
85.06537	7.5
91.05474	63.6
93.07039	80.1
95.04962	24.9
95.08603	34.2
97.06536	14.2
101.25011	3.7
103.05480	7.2
105.07027	100.0
107.04938	5.1
107.08588	78.0
109.06514	20.8
109.10149	33.7
111.08101	6.6
115.05498	6.5
117.07001	20.1
119.08575	92.1
120.08892	6.7
121.06494	11.3
121.10144	67.8
123.08080	19.8
123.11687	8.9
125.05953	5.0
125.09622	14.1
128.06201	13.9
129.07025	22.9
130.07805	6.2
131.08563	47.1
133.06447	5.3
133.10118	62.2
135.08037	20.8
135.11684	18.2
137.09599	10.2
141.06984	10.0
141.20599	3.5
142.07813	20.6
143.08562	40.7
144.09323	8.4
145.10126	74.4
147.08018	21.5
147.11653	23.4
149.09622	11.7
151.07549	10.9
153.07019	5.4
154.07809	5.7
155.08534	23.5
155.10704	3.9
156.09387	20.4
157.10097	56.9
158.10776	7.9
159.08052	10.6
159.11671	42.3
161.09634	12.4
161.13303	13.4
163.11171	10.7
165.06934	10.5
165.09084	20.8
167.08533	9.1
167.10655	38.9
168.09279	11.2
169.10085	27.2
170.10782	6.6
171.11694	38.2
172.12288	4.9
173.09650	8.0
173.13286	25.4
175.11195	12.4
175.14835	11.2
179.08543	9.3
180.09303	5.4
181.10121	17.2
181.12212	10.7
182.10889	11.2
183.11705	28.5
184.12346	3.9
185.13283	20.9
187.11232	5.3
187.14786	7.9
189.12685	7.2
191.14189	4.4
192.09264	4.6
193.10149	14.9
194.10814	6.8
195.11775	22.7
196.12352	10.2
197.13245	27.2
199.11127	4.4
199.14821	10.4
200.11835	3.8
201.16312	5.4
203.14287	14.1
205.10124	4.4
206.10986	5.6
207.11705	18.0
207.13464	4.3
208.12468	8.6
209.13295	17.4
209.15079	4.4
211.14754	16.9
213.12796	3.7
213.16383	5.8
215.14400	6.0
217.15796	5.4
219.11687	5.6
220.12425	5.8
221.13234	13.3
221.15387	51.4
222.13861	5.7
222.15747	5.1
223.14836	14.4
225.12712	5.3
225.16295	7.5
227.14273	4.1
229.73668	3.7
231.11664	5.2
233.13203	9.4
233.15421	20.5
235.14809	13.9
246.13887	5.0
247.14716	5.1
247.16994	4.9
249.16524	9.3
251.17883	5.7
259.14761	5.1
261.16464	5.0
265.19604	4.2
269.18933	10.9
275.17828	7.5
277.19476	4.7
281.18921	5.9
286.19241	4.2
287.20129	6.6
295.20505	4.5
299.20163	6.3
301.21820	6.4
304.19757	3.9
352.23865	6.1
353.24271	5.9
365.24820	4.9
410.84583	3.7
473.34229	4.3
498.77271	4.2
509.34888	4.7
521.35809	5.8
541.94891	3.6
565.40454	4.7
583.41272	13.1
601.42975	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	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.9
57.03434	2.7
57.07053	6.0
65.03925	3.3
67.05489	29.1
67.05788	3.4
68.60743	2.3
69.03421	2.9
69.07071	30.7
69.45142	2.6
71.01366	3.4
71.04988	2.9
71.58363	4.6
73.02890	7.9
79.05485	12.8
81.07054	49.1
83.08614	11.6
85.02897	26.6
91.05476	18.0
93.07035	28.6
95.01327	5.4
95.04964	5.5
95.08602	100.0
97.02883	3.0
97.10155	9.9
103.03925	3.0
103.05473	2.4
105.07018	38.3
107.07874	4.7
107.08592	60.9
109.06510	2.9
109.10155	71.7
111.11715	7.4
113.02371	5.4
117.07047	5.3
119.08568	54.7
121.06472	4.0
121.10140	48.3
123.08069	4.8
123.11699	32.3
131.03430	3.4
131.08548	10.4
133.10136	51.4
135.11688	43.7
135.83929	2.7
137.13249	9.4
141.01814	10.9
143.08641	2.9
145.10136	20.8
145.11250	3.5
147.11678	40.7
149.13264	21.4
151.14771	3.5
157.10144	5.4
159.02910	3.4
159.11713	20.5
161.13254	31.7
163.14810	24.1
171.11685	4.9
173.13223	14.6
175.14810	27.9
177.16386	27.3
179.17981	3.0
187.14792	19.2
189.16379	68.6
191.17926	47.0
199.14830	4.6
201.16328	20.8
203.17957	41.8
205.19458	16.3
207.17407	3.9
213.16425	5.1
215.17909	16.1
217.19516	33.8
219.21060	5.0
227.17982	4.4
229.19446	13.0
231.21097	5.8
241.19597	3.2
243.21028	10.1
245.22624	6.9
255.21022	4.1
257.22635	11.6
261.25702	2.8
269.22598	5.4
271.24197	10.4
297.25745	6.1
365.32248	4.9
407.36734	43.3
425.37802	8.7
601.39001	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79334	2.9
53.03949	5.3
55.01850	4.6
55.05512	24.2
57.07076	9.9
65.03941	6.3
67.05505	29.6
69.03423	14.7
69.07065	21.4
70.31634	13.8
79.05493	37.9
81.07051	47.3
83.04982	24.4
83.08620	15.5
85.06564	7.1
91.05477	54.3
93.07047	79.2
95.04958	27.6
95.08610	34.5
97.06533	12.4
98.20889	5.4
103.05475	6.1
105.06295	5.2
105.07030	100.0
107.08588	72.1
109.06546	15.8
109.10164	32.9
111.08044	6.8
113.09674	6.3
115.05459	11.1
116.06220	5.6
117.07005	21.5
119.05002	3.8
119.08582	98.6
121.06514	9.8
121.10138	83.3
123.08061	12.5
123.11712	13.0
125.09613	16.1
128.06224	15.4
129.06993	17.3
130.07779	11.4
131.08588	44.0
133.06509	5.2
133.10127	59.4
133.11095	5.0
135.08070	14.3
135.11684	16.7
137.09596	7.8
139.11168	5.4
141.06973	10.0
142.07761	26.0
143.08569	42.5
144.09334	9.4
145.06479	3.8
145.10112	69.9
147.08049	11.5
147.11719	25.8
149.09618	20.0
153.06976	7.7
155.08571	19.5
155.10648	6.9
156.09348	18.6
157.05769	3.3
157.10124	53.1
158.10832	5.8
159.08031	15.0
159.11690	43.0
161.09634	13.7
161.13245	6.8
163.11203	10.2
165.06958	7.3
165.09219	5.4
166.07857	5.1
167.08545	9.0
167.10672	64.4
168.09303	5.9
169.10155	27.3
170.10858	7.7
171.11703	32.7
173.09639	7.2
173.13264	21.8
175.11140	10.3
175.14854	14.1
179.08542	10.2
180.09337	9.2
181.10100	14.5
182.10913	8.6
183.11665	19.1
185.09695	3.6
185.13245	19.5
187.14862	10.2
189.12857	5.5
191.14342	4.3
192.09387	4.8
193.10155	16.4
194.10860	10.9
194.12556	3.8
195.11673	22.9
196.12503	6.1
197.09743	3.7
197.13293	20.7
199.11108	6.7
199.14798	11.7
201.12817	5.0
201.16371	7.8
203.14337	9.8
205.10014	5.5
206.10944	11.3
207.11687	12.0
209.13307	24.2
209.15172	5.9
210.14116	3.5
211.14871	17.0
213.12775	6.6
213.16400	6.4
215.14377	6.0
217.15889	4.3
219.11731	7.8
220.12415	5.9
221.13289	10.6
221.15443	11.9
222.14055	5.1
223.14833	13.9
225.16168	4.8
227.14375	6.3
233.13205	7.7
233.15381	29.2
235.14777	8.4
237.16241	6.2
239.17999	3.8
241.16042	3.7
245.13179	7.7
249.13126	3.2
249.16403	8.7
251.17952	4.9
258.14163	3.7
259.14624	4.5
260.15576	3.7
261.16348	6.5
263.18039	5.6
265.19537	5.2
269.19006	8.5
281.18927	7.2
283.20584	6.9
289.19485	4.9
295.20297	4.5
326.81985	3.8
367.26306	3.4
390.60510	3.1
583.41394	7.0
601.42529	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	601.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.05506	19.5
57.03426	2.6
57.07067	6.7
65.03933	2.2
67.05500	30.9
68.43002	1.2
68.73864	1.3
69.07066	26.3
69.33324	4.4
69.33749	10.1
71.01363	2.8
72.94571	1.1
73.02905	8.0
79.05490	14.2
81.07050	50.3
83.08611	15.8
85.02899	21.8
91.05469	15.9
93.07037	35.4
95.01344	6.0
95.04969	3.1
95.08603	100.0
97.10157	9.3
99.00823	2.7
100.92057	1.3
103.05444	1.4
105.07030	35.1
107.08588	59.4
109.06490	2.2
109.10150	73.2
111.11707	5.1
113.02363	7.1
117.07019	5.5
119.08578	56.6
121.10139	53.7
123.08112	1.6
123.11700	25.9
129.06937	1.3
131.03432	7.1
131.08566	9.6
133.10126	45.9
135.11687	41.6
135.12717	2.3
137.13237	8.7
141.01801	11.9
143.08565	3.1
145.10115	18.1
147.11681	38.6
149.13266	23.6
151.14839	2.2
157.10136	3.8
159.02890	3.0
159.11679	20.4
161.13242	38.3
163.14809	25.3
169.10208	1.5
171.11742	2.0
172.12448	1.6
173.13277	15.7
174.13977	1.4
175.14798	25.2
177.16373	25.8
179.18015	1.8
185.13277	3.5
187.14803	18.9
189.16371	68.6
191.17938	46.1
199.14780	3.0
201.16399	20.9
203.17957	31.2
203.19777	2.6
205.19519	15.3
207.17468	3.8
213.16470	4.3
215.17899	16.5
217.19527	29.7
219.21082	5.5
221.19109	1.9
224.04341	1.4
227.17853	3.3
229.19495	15.7
231.21062	6.1
241.19400	2.2
243.21109	8.4
245.22675	7.1
255.21103	4.6
257.22650	8.5
266.64868	1.3
269.22632	6.1
271.24197	9.1
283.24274	2.2
297.25687	12.3
304.70688	1.4
311.27505	1.8
361.59518	1.4
365.32053	5.9
383.20676	2.2
407.36713	37.5
425.37744	5.0
455.75980	1.5
465.95880	1.6
601.40845	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60586	2.3
53.03950	2.6
54.47391	2.7
55.05513	14.5
57.03431	5.2
57.07069	5.1
65.03899	2.4
67.05502	34.6
69.07070	23.4
71.01357	5.7
71.04995	3.5
71.32927	5.2
73.02898	7.7
79.05490	15.6
81.07053	46.0
83.04987	2.8
83.08606	11.5
85.02893	22.7
91.05484	14.6
93.07049	32.5
95.01300	3.7
95.04958	4.4
95.08607	100.0
97.10154	8.2
105.07023	40.1
107.08598	55.2
109.10162	75.0
111.11708	10.0
113.02335	4.0
117.07000	5.5
119.07816	3.7
119.08591	46.3
119.09378	5.6
121.10139	44.0
123.08112	3.3
123.11702	25.7
131.03389	5.4
131.08565	10.1
133.10139	40.0
135.08081	3.3
135.11690	40.7
137.13283	7.0
141.01801	9.1
145.10162	17.2
147.11664	30.7
149.13269	24.4
157.10098	4.1
159.11671	21.2
161.13249	34.5
163.14862	18.3
171.11656	4.5
173.13263	11.9
175.14847	16.7
177.16412	19.8
185.13266	5.4
187.14857	15.1
189.16377	62.4
191.17961	44.2
199.14734	4.4
201.16394	19.5
203.17941	45.1
205.15981	2.6
205.19525	12.7
207.17526	4.9
211.14775	2.4
213.16389	3.1
215.17984	14.2
217.19524	28.4
227.17989	4.7
229.19482	16.2
231.21074	9.2
243.21036	7.6
245.22609	8.1
255.20914	3.4
257.22751	6.7
269.22714	3.6
271.24161	6.5
297.25693	8.8
304.07358	2.8
330.08304	2.8
365.31931	5.1
407.36777	44.3
408.37177	3.2
425.38016	3.4
431.18576	5.3
466.86978	2.9
601.38293	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	601.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05505	18.2
57.03431	2.8
57.07066	4.7
65.03934	2.1
67.05174	2.1
67.05503	29.2
69.07064	25.5
69.33146	2.7
69.33554	11.0
71.01341	4.1
71.08624	1.7
73.02915	8.2
79.05491	17.7
79.75412	1.2
81.06581	2.4
81.07054	44.5
83.04964	1.3
83.08203	1.7
83.08624	16.5
85.02901	19.6
89.74263	1.2
91.05469	17.6
93.06471	2.3
93.07037	35.1
93.07632	1.8
95.01337	6.6
95.04967	4.3
95.08600	100.0
97.10162	8.7
99.00812	1.4
101.02354	1.6
103.03944	1.8
105.07031	36.6
107.08589	62.5
109.06499	2.3
109.10150	76.0
111.08086	1.9
111.11697	5.7
113.02386	7.6
113.09673	1.3
117.07002	4.5
119.08573	57.3
121.10136	52.4
123.08026	1.7
123.11703	31.4
129.07033	2.0
130.07799	2.0
131.03386	5.9
131.08546	8.4
133.10129	46.9
135.11690	42.0
137.13245	10.5
141.01851	12.7
143.08560	3.4
144.09354	1.5
145.10117	19.8
147.11684	34.6
149.13248	27.5
151.14766	2.8
157.10167	3.4
158.10995	1.7
159.02852	2.8
159.11682	24.2
159.12874	2.3
160.12445	1.5
161.13248	41.3
163.14813	23.5
171.11691	6.7
173.13286	11.0
175.14813	26.7
177.16379	25.5
177.17853	2.6
179.14236	1.4
179.17955	4.0
185.13179	3.5
187.14807	21.3
189.16371	71.6
191.17937	54.4
199.14787	3.2
199.46826	1.4
201.16351	23.3
203.17941	34.1
205.19510	17.5
207.17447	5.8
211.14737	1.2
213.16345	2.7
215.17961	15.7
217.19508	31.8
219.21104	5.3
221.19037	2.9
227.17975	4.9
229.19537	19.7
231.21083	7.4
241.19443	3.1
243.21049	11.1
245.22696	7.0
255.21109	5.3
257.22650	8.9
269.22687	7.3
269.59750	1.3
271.24216	10.0
283.24286	3.6
285.25854	2.6
297.25735	13.9
315.26944	1.7
351.30438	1.2
365.31958	4.6
383.20432	2.4
407.36703	43.7
425.37604	9.7
430.20264	1.3
530.63171	1.3
583.39447	1.6
601.40497	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	601.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23280	4.6
52.76289	5.2
53.99585	4.5
55.05487	11.8
57.03446	6.2
61.26184	5.6
61.90802	5.0
67.05502	30.7
68.75723	5.2
69.07056	27.6
70.11453	22.9
70.11856	8.3
71.01361	7.7
73.02924	7.9
74.06081	6.6
77.90546	5.0
79.05476	21.7
80.89008	5.4
81.07046	50.1
83.08591	15.6
85.02885	21.1
90.25311	4.8
91.05458	21.9
93.07044	46.8
95.08598	100.0
97.06446	5.9
97.10121	7.2
97.66632	5.1
105.07008	40.5
107.04906	5.9
107.08585	51.9
109.10140	72.4
119.08575	54.2
120.06556	10.6
121.10135	48.6
123.11704	21.6
127.70711	5.1
131.08531	17.3
133.10114	37.7
135.10814	5.0
135.11661	31.8
137.13260	8.6
141.01837	12.5
145.10104	17.4
147.11623	30.2
149.13252	28.0
151.14824	5.4
157.10124	11.8
159.11690	17.0
161.13237	23.6
163.14821	18.7
173.13223	14.1
175.14833	20.7
177.16328	18.9
185.13251	8.6
187.14833	14.3
189.16351	62.7
191.17902	46.2
201.16357	22.9
203.17921	44.5
205.19545	14.5
215.17943	17.6
217.19463	16.3
227.17993	6.0
229.19493	11.6
241.19519	6.8
257.04364	11.1
257.22662	6.5
269.22891	6.8
271.24170	7.7
297.25726	10.5
349.28421	5.7
407.36719	38.5
431.18716	14.9
497.45197	5.2
513.48285	6.3
517.49597	5.3
525.36237	5.2
601.29535	6.2
601.38513	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	601.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05520	2.8
57.03437	11.4
59.04993	1.2
61.02921	0.8
65.03931	1.2
65.96733	0.6
69.03424	2.2
69.07035	0.5
70.06596	0.8
71.01345	2.1
71.04987	76.4
71.57331	0.7
73.02915	1.4
75.04478	5.5
79.05541	0.6
81.03416	5.4
83.04974	6.5
85.02898	100.0
85.26009	0.5
86.09648	0.9
86.97355	0.5
87.04462	3.2
89.60992	0.5
90.97937	0.5
91.05467	7.5
97.02929	1.0
99.04443	1.9
100.11251	1.7
107.04922	0.5
109.02816	0.8
111.04451	6.1
115.96326	0.5
119.04108	1.0
119.04926	15.0
127.03907	2.7
129.05472	29.7
145.04938	0.7
147.04398	67.3
147.06445	5.1
148.04817	0.5
149.10970	0.6
165.05498	4.6
171.06380	0.7
182.15323	0.8
183.15735	1.0
210.14851	0.9
211.15178	0.9
239.09235	0.7
272.35068	0.6
275.11581	0.5
291.08667	3.0
309.09464	1.8
347.13879	0.5
348.29840	0.6
373.18176	0.6
374.13873	0.9
379.71448	0.7
399.00305	0.5
437.14044	0.8
449.61285	0.6
455.15170	0.9
597.05334	0.6
600.40186	0.6
601.20868	5.4
606.41425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05494	2.6
57.03431	10.6
59.04978	1.7
61.02899	1.8
63.28895	1.3
65.03937	1.8
67.05496	1.2
69.03442	2.5
69.56318	2.8
69.56741	6.1
70.06571	2.0
71.01347	2.2
71.04990	74.3
73.02917	2.4
75.04482	5.3
81.03409	6.6
83.04973	5.8
85.02901	100.0
85.87183	1.1
86.09719	1.1
87.04450	3.9
91.05476	7.9
99.04453	3.0
109.02897	1.6
111.04433	4.3
119.04934	17.6
127.03925	4.1
127.79156	1.0
129.05478	27.4
134.92223	1.0
137.05974	2.0
147.04405	80.4
147.06465	6.2
165.05437	4.7
239.09093	1.4
275.09076	1.2
291.08627	2.4
293.10141	1.5
309.09543	1.9
373.13708	1.9
374.14218	3.6
472.17722	1.1
601.21063	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	601.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03148	0.5
53.03946	0.8
55.01873	1.0
55.05507	1.8
57.03434	10.8
59.05008	1.3
61.02911	0.9
65.03949	0.8
69.03423	2.3
69.26979	3.4
69.27408	3.1
70.06581	0.8
71.01352	1.9
71.04990	77.5
72.08160	0.6
73.02914	2.1
75.04476	4.9
81.03410	5.0
83.04974	5.3
85.02900	100.0
86.09744	0.6
87.04483	3.2
90.81845	0.5
91.05476	6.5
95.03288	0.6
97.02933	0.7
99.04451	2.4
101.06028	1.0
109.02853	0.6
111.04443	4.6
119.04945	14.9
125.82284	0.5
127.03922	1.7
129.05472	27.8
136.06175	5.5
137.06548	1.0
137.33510	0.6
147.04402	57.0
147.06461	5.1
153.05461	0.8
165.05489	4.7
181.32893	0.5
183.41029	0.5
195.06482	0.6
239.09052	0.8
291.08591	3.9
293.10056	0.7
300.72250	0.7
309.09573	2.3
437.13763	0.7
439.23187	0.9
455.15430	0.9
601.21057	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	601.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	0.7
55.05500	1.3
57.03437	13.9
59.04995	1.4
61.02925	1.8
69.03419	1.6
70.06582	0.7
71.00674	0.8
71.01347	1.8
71.04990	81.2
71.56763	0.8
73.02913	2.0
75.04482	5.0
77.15474	0.6
78.28764	0.6
81.03410	5.9
83.04975	6.8
85.02901	100.0
86.09694	0.8
87.04479	3.3
91.05476	7.3
92.65008	0.6
95.04932	0.7
97.02923	0.6
99.04444	1.9
107.05019	0.6
111.04427	3.9
119.04932	14.4
127.03914	1.8
129.05476	29.7
136.06180	2.8
146.54085	0.7
147.04404	63.9
147.06497	5.6
163.06001	1.0
165.05487	5.2
291.08649	2.6
293.10242	1.4
297.58685	0.8
309.09760	2.5
310.70584	0.7
330.46652	0.8
601.21112	6.2
614.95508	0.7
622.04364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01861	0.7
55.05518	1.8
55.48806	0.5
57.03437	12.9
59.04993	1.6
61.02930	0.9
65.03951	0.8
68.02857	0.5
69.03423	2.1
70.06588	1.3
71.01354	1.6
71.04989	79.3
71.56750	0.7
71.57104	0.7
73.02917	2.0
75.04478	4.6
76.31636	0.4
79.05491	0.5
81.03413	6.2
83.04980	6.3
83.43658	0.5
85.02899	100.0
86.06068	0.8
86.09695	1.1
87.04458	3.2
91.05472	6.5
97.02880	1.2
99.04453	1.9
101.06005	0.9
107.04939	0.6
107.08539	0.6
109.02886	0.7
111.04442	4.5
119.04937	13.7
119.05775	0.9
127.03905	2.1
129.05472	26.4
131.04861	0.4
134.28348	0.5
136.06183	12.5
137.06538	1.7
139.03813	0.8
147.04402	58.8
147.06468	4.5
152.05632	0.8
153.05409	0.6
163.07666	0.6
165.05505	3.9
170.89006	0.6
175.03903	0.6
189.07645	0.5
193.12112	0.6
207.06493	0.9
213.14528	0.5
222.44322	0.5
239.09134	0.6
249.11205	0.5
291.08612	3.9
309.09375	1.8
421.21884	0.6
439.09836	1.3
490.35718	0.5
601.21271	6.1
621.59180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61744	7.3
55.05513	9.4
57.07071	20.8
62.81017	6.7
64.62186	8.0
67.05496	14.6
67.74160	6.6
68.81830	7.0
69.03419	18.5
69.07076	10.3
70.74936	17.2
70.75280	6.8
79.05463	8.2
81.07056	22.2
83.04999	8.3
85.06539	13.0
89.06049	8.8
91.05491	32.9
93.07038	39.1
95.04933	11.5
95.08615	24.1
105.07040	53.7
107.08574	27.5
109.06527	17.9
117.07075	12.1
119.08576	64.2
121.06487	8.3
121.10131	25.3
121.59785	7.5
123.08098	18.6
125.06017	11.6
128.06212	9.6
128.13507	7.7
129.07016	16.1
130.07899	8.5
131.08553	32.3
133.10123	27.4
134.07277	7.3
135.04491	8.1
135.08060	20.0
135.11661	7.8
137.09631	15.8
139.07516	8.1
142.07799	14.5
143.08554	31.0
145.10132	53.3
147.08052	28.2
147.11699	13.6
149.09618	11.3
151.07491	12.0
155.08514	8.2
156.09296	10.8
157.10123	32.8
159.08136	9.1
159.11693	27.8
161.09688	8.6
161.13306	8.7
163.11243	18.0
165.09116	54.9
168.09457	8.3
169.10164	27.2
171.11685	23.2
175.11172	31.0
181.12248	20.4
183.11606	19.0
185.07498	8.1
185.13231	16.3
189.12851	10.2
190.13591	10.5
191.10718	11.7
193.10321	9.9
193.12300	21.0
195.11700	10.8
197.13301	7.3
199.11241	8.8
203.14355	19.2
207.11746	9.9
207.13770	11.5
207.50832	6.9
208.12476	7.2
208.14499	9.2
209.13275	9.6
211.14827	8.9
219.13791	12.9
221.13358	14.6
221.15343	100.0
222.15767	23.4
225.12837	8.2
234.16191	21.1
235.14653	6.6
247.16890	33.7
274.19345	10.1
287.20123	13.1
299.20074	14.2
325.21619	12.3
352.23956	22.6
419.29541	9.5
420.30151	8.3
427.28003	12.8
440.29401	49.2
449.98318	7.3
520.35461	21.5
552.77008	9.0
600.41803	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	9.7
58.34925	2.2
59.04984	2.7
67.05490	8.0
69.03407	4.2
69.07060	3.6
70.62505	9.0
76.79106	2.6
76.99976	2.3
79.05474	6.3
81.07053	16.3
83.04958	4.1
89.06020	6.8
91.05486	20.1
93.07047	20.0
95.04961	6.9
95.08587	12.8
95.09119	2.3
97.06541	3.1
105.07021	27.4
107.08589	15.3
109.06486	6.6
109.10147	5.0
117.06998	6.2
119.07909	2.7
119.08592	27.9
121.06492	4.9
121.10128	13.5
123.08075	13.7
125.05920	4.6
128.06197	4.3
129.06989	7.9
131.08575	12.2
133.08606	3.9
133.10106	12.2
135.08006	9.3
135.11659	2.6
137.09601	9.2
142.07806	7.9
143.08553	13.3
144.09332	3.0
145.10106	20.1
147.08054	15.1
147.11694	4.1
149.09612	9.2
151.07481	5.4
155.08521	6.4
156.09351	6.5
157.10129	21.1
158.10864	3.2
159.08032	5.1
159.11674	8.6
161.09630	6.0
161.13208	3.5
163.11180	8.9
165.09128	23.4
166.09456	3.8
167.08543	4.1
169.10065	8.5
171.11674	9.7
173.09610	5.4
173.13219	3.9
175.05759	2.4
175.07677	2.6
175.11191	11.7
177.11243	3.2
177.12759	3.4
180.11394	2.8
181.10152	3.5
181.12146	13.6
182.10887	2.9
183.11699	9.6
184.12189	2.8
185.13211	5.1
187.14796	2.9
189.12823	5.7
190.13544	3.9
191.10594	3.7
193.10159	3.5
193.12209	9.3
195.11716	6.6
196.12411	3.0
197.13211	5.9
198.10271	2.4
199.11205	4.0
199.14751	2.9
201.12657	5.9
203.14281	14.6
205.61288	2.6
206.11034	2.3
207.11742	2.7
207.13806	6.4
208.14543	3.7
209.13292	6.1
211.14857	3.2
219.13800	3.2
221.13385	4.3
221.15347	100.0
222.15730	21.2
223.11137	2.5
223.14815	4.0
233.13243	2.7
234.14110	2.4
234.16116	13.6
240.75990	2.6
241.15749	2.5
247.16911	21.5
248.17395	5.0
259.16913	4.3
260.17670	3.0
271.16885	3.9
274.19284	9.2
286.19113	4.3
287.17102	3.1
287.19992	12.5
288.20541	2.9
299.19974	10.7
300.20615	5.1
311.20105	4.6
312.20795	3.5
313.21674	4.2
325.21640	7.8
327.23050	2.9
339.23398	3.2
340.23920	10.7
352.23956	19.1
365.24948	3.1
365.57416	3.1
366.25290	3.5
379.26328	3.4
391.26132	5.4
392.26819	4.7
419.29614	8.5
420.29794	3.6
425.26849	3.4
427.28293	6.8
428.29120	4.7
440.29126	26.0
442.31027	3.6
448.64459	2.8
508.34882	6.3
520.35620	20.0
585.38367	2.6
600.41467	36.7
600.50195	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47313	26.0
71.58246	30.5
81.07066	30.2
89.05997	39.4
91.05533	26.7
93.07052	47.8
95.04960	29.8
98.82467	22.9
105.07035	52.6
107.08630	42.6
119.08601	52.3
121.10114	45.3
122.99403	26.4
131.08574	41.3
145.06497	29.8
145.10123	31.7
147.08092	31.1
149.09554	31.2
157.10112	36.1
159.11700	40.6
160.08882	62.9
163.50032	22.7
165.09119	61.0
181.12157	34.4
221.15387	100.0
352.01331	34.6
365.24155	29.1
440.28885	38.3
600.41553	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01868	1.8
55.05513	5.4
56.12230	0.8
56.22412	0.9
57.32282	0.9
58.99584	1.4
65.03939	0.9
67.05499	10.5
69.07067	5.1
70.06583	1.3
70.20480	2.6
70.20886	1.5
71.04979	1.1
74.00661	3.1
74.84782	0.7
76.02213	3.0
79.05482	7.8
80.05020	2.1
81.03407	1.8
81.05823	0.8
81.07050	29.2
82.07360	1.1
83.04979	1.6
83.06078	2.7
83.08605	3.4
84.04494	7.0
85.02914	1.5
86.00637	1.4
91.05475	7.9
93.07046	10.2
94.06580	1.7
95.04366	0.9
95.04952	4.4
95.08611	13.5
97.01129	1.8
97.06523	1.4
99.01395	4.7
99.05582	0.9
100.02207	7.6
105.07018	9.6
106.06536	1.6
107.04945	2.8
107.06053	1.0
107.08583	7.6
108.08119	1.0
109.06509	5.5
109.10118	4.8
111.02654	1.1
112.02179	11.2
114.03745	8.1
116.01657	1.9
117.07011	2.7
119.08584	6.3
120.08085	1.7
121.06493	2.1
121.10110	5.9
123.08083	1.5
123.11690	2.6
124.02238	0.8
125.04240	1.0
125.85648	0.9
126.03710	2.7
128.06201	0.8
129.06624	2.7
130.04990	2.0
131.08556	3.5
133.10114	5.3
135.08101	1.7
135.11632	2.1
136.93256	0.9
137.04097	1.0
138.03711	2.2
139.03180	1.0
140.05281	8.5
145.06219	1.0
145.10103	3.8
147.04370	1.0
147.11694	4.5
149.09587	1.4
149.13261	2.9
152.05283	2.1
154.06808	1.9
157.10135	1.4
159.11699	2.1
161.13179	1.1
162.02196	2.5
163.11229	1.6
165.12828	1.1
168.08408	17.9
171.11627	1.6
173.13252	3.1
179.04776	1.5
185.03769	3.2
187.05386	0.9
191.14258	1.5
202.04010	2.9
209.15352	4.2
216.05698	1.7
222.15060	1.4
231.04349	4.0
241.06425	1.0
253.12770	1.1
255.08017	2.2
264.14185	6.9
269.09613	2.1
270.10291	7.5
271.11066	1.4
275.20068	7.0
281.14395	2.2
282.15198	37.1
283.15646	1.3
293.21002	1.5
308.09207	1.2
323.16199	1.0
324.82748	0.9
333.18906	2.8
350.21442	10.2
351.19855	2.4
368.22552	10.0
384.17142	17.5
385.17789	3.2
407.23465	1.1
414.40747	0.9
453.24155	100.0
454.24362	4.7
520.67120	1.0
525.26294	8.0
582.28345	1.3
600.29413	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.8
53.03937	5.2
53.22558	2.7
55.05507	18.9
57.07058	13.3
59.04983	4.0
61.64914	3.1
62.78912	3.2
65.03932	4.1
67.05506	31.3
69.03413	13.6
69.07056	22.7
74.09520	2.8
74.40105	3.2
79.05487	28.1
81.03415	3.6
81.07047	31.9
83.04989	7.1
83.08600	13.4
83.98111	2.8
85.06555	3.5
91.05474	36.2
93.07035	60.4
95.04953	24.3
95.08597	37.6
97.06537	10.1
98.29826	3.1
103.05415	5.0
105.07030	64.3
107.04924	3.5
107.08587	44.3
109.06492	12.1
109.10137	25.5
115.05418	6.4
117.06989	13.5
119.08578	59.8
121.06487	11.9
121.10134	70.9
123.08041	27.4
123.11722	8.4
125.09611	9.4
128.06218	6.1
129.06972	11.7
131.08577	28.5
133.06451	4.5
133.10121	41.9
135.08055	11.2
135.11679	12.3
137.09593	9.7
139.11176	8.0
141.07039	6.0
142.07770	17.6
143.08549	26.6
144.09322	7.8
145.10101	43.2
147.08099	17.2
147.11649	15.1
149.09583	16.8
149.13347	4.7
151.07541	22.8
155.08536	11.0
155.10614	4.3
156.09329	13.8
157.10126	34.5
158.10899	5.8
159.08058	9.7
159.11668	21.7
161.09607	10.3
161.13240	6.1
163.11153	7.8
165.07007	5.9
165.09096	18.3
165.53073	3.3
167.08510	10.0
167.10674	96.9
168.09390	6.7
169.10130	20.5
170.10893	5.5
171.11641	22.1
173.09633	6.2
173.13229	15.0
175.11139	6.4
175.14821	10.2
179.08493	8.0
180.09351	5.2
181.10092	9.7
181.12230	8.1
182.10857	7.5
183.08067	3.6
183.11717	15.2
185.09566	5.1
185.13191	14.1
187.11133	6.8
187.14758	10.9
189.12726	12.4
191.14281	7.9
193.10115	13.4
194.10875	6.6
195.11732	11.5
197.13246	12.2
199.14874	9.0
201.12787	5.6
201.16379	3.6
203.14276	10.6
206.10936	4.6
207.11646	9.5
207.13861	10.4
209.13252	13.1
209.15260	5.5
211.14735	7.6
215.14311	4.4
216.01076	3.4
219.11768	5.7
221.13190	10.0
221.15303	41.9
223.14822	11.6
225.12810	3.6
225.16379	4.6
227.14285	4.0
229.81883	4.2
233.13202	5.8
233.15297	28.9
235.14693	6.7
239.17813	5.5
243.11824	4.3
246.14108	4.5
247.14816	8.7
259.14774	4.3
259.20547	4.6
261.16309	4.6
273.18597	4.6
281.18951	4.7
299.20059	6.2
311.20081	3.8
373.25055	4.4
391.26413	6.5
419.29401	4.2
563.38953	4.7
567.42719	4.0
571.41089	5.2
581.40155	23.7
599.41266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	2.5
55.05503	17.2
56.43179	1.7
56.92524	1.8
57.03426	4.4
57.07059	5.7
57.81969	1.6
60.64975	1.6
65.03915	2.6
67.05501	32.8
69.03411	3.1
69.07066	20.1
70.88497	4.0
70.88831	1.8
71.01353	2.4
71.04990	3.3
71.08624	1.7
73.02908	7.3
77.03905	1.8
78.06210	1.5
79.05495	22.4
80.13236	1.9
81.03432	2.3
81.07053	64.0
83.04971	2.7
83.08605	12.2
85.02898	16.9
91.05477	25.5
93.07046	52.6
95.01324	10.2
95.04944	6.3
95.08603	100.0
97.02859	2.7
97.06522	4.0
97.10148	4.5
99.61658	1.7
101.02358	5.1
103.03944	4.8
105.07024	53.1
107.04972	2.6
107.08593	73.0
109.06505	5.0
109.10150	71.9
111.08070	3.4
111.27941	2.1
113.02371	5.8
113.09659	1.8
117.07018	7.5
119.07714	1.8
119.08577	64.5
121.10138	66.1
121.11021	3.3
123.04439	3.0
123.08010	2.5
123.11710	28.1
125.09654	3.8
128.06259	2.9
129.06947	4.8
131.03387	3.7
131.08546	20.1
133.06578	2.1
133.10127	60.2
135.08063	3.0
135.11691	49.5
137.05969	5.1
137.09615	4.9
137.13234	7.9
139.11150	8.3
141.01825	14.3
141.07013	2.6
142.07758	3.2
143.08592	10.9
144.09364	2.4
145.10118	42.0
147.04401	2.4
147.11676	40.1
149.09651	3.8
149.13243	32.2
151.11162	3.0
155.08498	2.2
156.09276	2.0
157.10135	14.2
159.02898	3.3
159.11690	36.0
160.12178	1.9
161.09631	1.8
161.13248	35.1
163.11220	3.8
163.14827	26.3
165.09160	2.0
165.12721	3.1
169.10074	5.7
171.11700	15.7
172.12491	2.4
173.13242	30.2
175.13475	2.9
175.14832	28.6
177.12784	3.8
177.16396	24.2
179.14253	3.0
183.11635	6.0
185.13254	9.6
186.13998	2.0
187.11220	2.3
187.14813	23.9
189.16377	34.8
191.14334	2.4
191.17944	13.1
193.15913	2.5
195.17514	2.4
197.13234	4.3
199.14781	13.3
201.16379	26.8
203.14304	2.3
203.17947	37.2
205.15855	3.7
205.19495	5.8
207.17354	5.1
211.14923	3.5
213.16333	10.4
215.17938	30.9
217.19519	22.3
219.17464	10.3
221.18959	4.4
225.16399	3.5
227.17897	16.1
229.19510	34.7
231.17427	3.5
231.20973	3.3
233.18999	8.3
239.18044	3.5
241.19507	7.1
243.21046	7.9
245.19046	3.4
247.20636	15.4
253.19577	4.5
255.21065	8.3
257.22675	6.7
259.20654	2.5
261.22180	3.3
267.21173	3.9
269.22580	10.3
271.24213	3.7
273.22003	2.2
275.23624	3.0
281.22589	5.7
283.24255	4.4
285.22189	2.7
295.24191	4.3
297.25644	2.3
311.27383	2.4
313.25345	2.6
323.27374	2.7
351.18051	5.4
363.30707	2.6
365.19681	1.9
365.32190	2.8
379.20804	2.1
381.31561	2.4
383.32822	2.0
405.35089	24.6
419.24249	2.4
421.34558	2.9
423.31009	4.1
423.36105	25.2
435.23743	2.0
435.36542	2.5
441.37177	4.3
581.38519	18.3
599.12109	2.7
599.30365	11.4
599.39142	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85934	2.7
53.03920	2.7
55.05495	11.3
64.30544	2.8
67.05506	26.7
69.03410	7.2
69.07060	21.7
69.35976	9.2
69.36406	17.4
71.01342	3.6
77.99953	2.4
79.05483	23.0
81.03410	3.8
81.07047	41.6
83.04946	3.0
83.08604	8.8
85.02901	13.8
85.16251	3.1
91.05466	28.3
93.07041	45.6
95.01296	6.1
95.04960	7.0
95.08595	67.3
97.02857	3.4
97.10184	4.3
98.21488	6.0
101.06721	2.9
105.07021	71.6
107.08581	58.6
107.78186	2.7
109.10139	42.2
111.15450	2.8
117.07006	8.7
119.08566	69.8
121.06486	5.3
121.10137	44.2
123.08063	7.0
123.11691	10.2
129.06937	3.9
130.07825	2.7
131.08566	28.3
133.10114	53.4
135.11642	19.7
141.01822	13.9
142.07742	3.0
143.08548	10.8
144.09375	5.2
145.10110	59.0
147.11673	48.7
149.09605	7.0
149.13248	35.5
155.08513	3.5
156.09294	3.6
157.10106	13.7
158.10735	3.2
159.11699	30.8
161.09596	8.0
161.13263	25.1
163.11182	5.3
163.14799	32.3
171.11624	13.1
173.09567	3.3
173.13252	41.1
175.11172	4.6
175.14821	53.5
177.16406	32.8
183.11699	5.1
185.13216	9.5
187.14793	50.2
189.12715	9.3
189.16379	59.5
191.10608	4.4
191.14297	15.9
191.17903	12.1
199.14795	13.8
201.12622	3.6
201.16354	41.6
203.17920	100.0
205.15720	3.1
205.19418	4.0
211.14752	4.0
213.16374	9.1
215.17941	11.4
219.13753	5.3
227.17931	9.2
229.15906	3.7
229.19464	8.1
231.20984	5.2
233.15324	4.2
239.17856	5.4
241.19516	7.5
257.22711	4.9
267.20825	3.5
273.18484	3.6
282.32504	2.8
349.28937	3.2
367.13431	3.3
377.31882	20.2
395.16827	4.6
395.33078	23.4
405.31400	13.3
423.32608	21.2
441.33505	6.5
553.35187	12.3
581.34698	10.3
596.50940	2.9
599.07947	3.3
599.36090	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	599.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.5
57.03428	3.9
57.07060	7.8
65.03928	3.6
67.05168	3.0
67.05500	31.9
69.03429	2.8
69.07063	25.1
71.01360	2.7
73.02910	8.5
77.00486	2.1
79.05486	19.6
81.03397	2.2
81.07055	61.3
83.04964	3.1
83.08615	11.4
85.02908	15.9
91.05468	24.7
93.06468	3.9
93.07037	49.6
95.01318	6.5
95.04951	6.2
95.08602	100.0
97.06507	2.2
97.10157	8.0
98.21509	6.1
99.08098	3.6
101.02361	4.2
103.03910	3.7
105.07024	52.1
106.91165	1.8
107.08592	90.7
109.06541	3.0
109.10151	75.3
111.08064	7.2
113.02380	4.0
113.48297	1.9
116.73139	1.8
117.07030	6.4
119.08576	74.8
121.10135	65.1
123.08032	2.8
123.11698	26.9
125.09631	2.1
129.06989	5.4
131.03436	2.1
131.08553	19.5
133.10123	66.4
135.11681	51.7
137.09538	2.5
137.13278	14.3
139.11153	6.8
141.01826	8.0
142.07788	3.4
143.08508	9.6
144.09363	3.6
145.10109	35.3
147.11684	40.8
149.09526	2.7
149.13235	35.5
151.11168	2.9
156.09395	2.9
157.10123	14.7
159.11691	38.2
161.13260	37.7
163.11188	4.4
163.14818	26.2
165.12746	4.3
169.10197	3.5
171.11662	12.6
173.13255	29.8
175.14839	32.3
177.12708	2.4
177.16393	28.5
183.11609	3.3
184.12415	2.2
185.13254	6.4
187.14822	27.0
189.16357	39.4
191.14288	2.5
191.17917	16.5
193.15826	3.0
195.11649	3.3
197.13290	4.0
199.14847	9.0
201.16377	30.3
203.14320	2.5
203.16029	3.2
203.17931	45.1
205.15845	5.0
205.19518	5.2
207.17413	5.4
211.14720	5.3
213.16389	12.8
215.17981	31.2
217.19493	25.1
219.17474	13.6
221.18970	6.9
225.16374	2.3
227.17912	13.6
229.19522	37.3
233.19067	9.8
239.17719	2.2
241.19522	6.4
243.21059	6.7
245.18962	5.6
247.20523	18.6
253.19768	2.2
255.21037	7.7
257.22546	10.8
259.20596	3.4
267.21094	5.4
269.22678	8.5
271.24054	3.5
273.22064	5.2
275.23804	5.7
281.22607	4.5
287.23618	4.5
295.24347	3.5
297.25604	2.2
309.25778	2.5
311.27286	2.7
320.32886	1.9
351.18030	7.7
365.19492	4.2
365.32034	3.2
379.21436	3.5
405.35248	21.7
419.24585	2.9
421.34604	3.2
423.36194	28.0
441.37323	7.9
451.35110	2.0
492.77448	2.2
581.38373	19.0
599.30823	4.0
599.40540	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01853	0.6
57.03420	0.9
57.45451	0.6
59.97194	0.6
64.34091	0.5
64.65281	0.6
69.69508	3.7
70.06579	0.6
79.05492	1.3
81.03421	1.0
81.07075	0.6
85.02895	3.1
91.05447	0.6
95.04935	1.3
97.02903	0.9
98.20718	0.6
104.36440	0.6
107.04949	100.0
108.05290	0.8
109.02840	0.7
121.02878	1.4
124.07613	0.6
131.04915	1.5
135.04428	0.7
139.03932	1.2
147.04422	1.2
149.06009	0.8
151.03917	1.5
159.04459	0.9
163.03894	2.7
169.06349	0.7
171.04366	1.0
173.06036	1.0
175.03891	2.1
177.05484	1.1
181.04922	1.7
185.05931	0.8
187.03868	1.8
189.05493	1.6
193.04927	3.1
197.83525	0.6
201.05487	1.9
205.04985	4.0
207.06549	0.6
213.05476	1.4
217.04945	3.8
219.06532	2.1
221.04463	1.4
223.06081	1.7
229.04961	2.9
231.06516	1.7
233.04359	0.9
235.06047	2.8
241.04942	1.8
243.06516	1.0
245.08076	0.7
247.06013	3.5
250.27196	0.6
253.04861	1.3
255.06847	0.9
259.05988	6.9
259.17340	0.6
267.06357	0.7
271.06027	3.1
273.07758	1.4
277.07132	1.6
283.06079	1.3
285.07443	1.1
287.05362	0.7
287.09460	0.8
289.06918	2.4
295.05844	0.8
297.07419	0.9
299.09015	1.1
301.07050	3.4
311.09082	1.5
313.07092	2.8
317.10455	0.9
319.08133	1.0
325.07056	2.2
329.10150	3.4
335.24203	0.7
341.10187	3.2
343.08096	1.3
353.10126	5.3
361.08862	0.7
365.10269	4.1
377.10190	1.7
383.11191	6.8
389.10196	1.3
393.09665	1.0
395.11288	7.5
407.11227	6.7
407.96460	0.7
413.12094	2.6
419.11142	6.6
425.12521	2.9
431.13409	7.5
443.13293	2.4
449.12463	5.8
461.12604	3.4
467.13495	3.2
473.12497	0.9
479.13412	1.9
485.14246	1.4
491.13226	2.3
497.14386	4.4
509.14410	1.9
527.15356	1.7
545.16284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.98132	2.4
55.01879	2.8
55.05511	13.1
57.03422	11.4
67.05503	33.8
69.03413	3.7
69.07064	17.7
71.58260	3.6
79.05480	13.7
81.03398	9.7
81.07041	33.3
82.05620	3.0
83.04981	2.9
83.08611	11.5
91.05452	7.8
93.07038	12.4
95.04975	3.5
95.08604	29.2
97.10172	5.6
98.98462	28.9
104.10722	3.4
105.07024	9.3
107.04961	3.3
107.08593	10.3
109.02897	13.8
109.06496	3.8
109.10139	13.8
119.08553	4.9
121.10141	8.8
123.08060	4.0
123.11731	4.0
129.06981	3.3
129.59592	3.0
133.10152	6.7
135.11624	3.9
141.09242	2.8
143.08511	3.0
155.01035	5.7
160.67444	2.8
161.13126	2.8
180.49033	3.1
261.03687	10.0
263.23648	5.9
296.68307	2.8
335.07193	3.4
337.27356	100.0
358.57578	2.8
597.38391	8.6
600.74994	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	598.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73558	1.4
53.03934	1.9
55.01865	1.7
55.05504	2.8
55.58862	1.3
60.04527	22.2
61.02910	1.4
63.82516	1.4
67.05509	2.3
69.03412	4.1
69.07072	1.8
70.06577	4.2
70.93063	3.1
70.93433	2.6
71.04982	4.8
73.02912	1.7
79.05490	6.3
80.05015	1.4
81.03413	12.9
81.07059	3.1
83.08607	1.7
84.04496	2.3
85.02901	15.2
86.09721	1.5
91.05457	4.4
93.07024	2.0
95.04955	2.2
95.08596	4.2
97.02878	3.0
99.04436	2.4
105.07033	3.9
107.04960	7.4
107.08613	1.6
109.02885	2.7
111.11802	1.9
115.05447	5.6
117.07016	11.4
119.08582	1.7
121.06483	2.0
121.10125	1.8
123.04412	3.7
125.05982	2.2
127.03894	5.1
131.04942	1.8
131.08553	5.6
133.06480	2.6
141.07018	2.1
143.04877	1.4
144.05711	3.3
145.04951	2.4
145.06488	31.4
155.06029	2.0
156.05696	5.9
159.08075	5.0
161.05977	4.3
167.07043	40.8
173.05984	50.4
177.05528	1.8
180.08649	5.0
184.05254	3.0
184.07188	1.6
187.07512	4.6
190.06248	29.5
191.07132	2.9
193.08614	3.4
200.95331	1.4
202.06209	3.7
203.07034	5.6
205.08592	100.0
217.08597	38.8
218.07263	1.9
219.08029	1.8
219.10069	3.7
223.09668	3.7
235.09650	27.2
242.09076	1.6
247.09616	8.0
263.10934	1.6
265.08084	2.5
265.10733	27.9
269.07718	1.7
278.24759	1.8
287.05435	6.5
288.05902	3.8
289.05908	3.0
290.06256	3.0
290.09250	1.6
291.10248	2.1
296.25900	4.1
298.35107	1.6
310.11252	1.9
314.26877	3.3
315.08493	2.7
330.10938	5.7
331.11768	2.5
332.28012	9.7
350.29095	9.8
351.12302	3.3
371.14914	1.9
383.14862	11.5
401.16022	7.9
580.33228	2.7
598.34955	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01862	0.9
55.05494	1.3
57.03417	1.5
61.02915	1.4
67.05502	2.1
68.99779	0.6
69.03410	1.4
69.07054	0.5
70.02933	0.5
70.06559	0.7
70.39240	0.9
70.39622	0.8
71.01325	0.8
71.04987	0.8
73.02912	8.9
74.02437	5.5
79.05473	2.3
79.94721	0.3
81.03413	20.7
81.07040	2.3
83.04964	0.7
83.08610	4.6
85.02902	1.9
87.05586	9.7
88.03974	1.5
91.05463	3.3
93.07023	1.4
95.04964	6.1
95.08604	0.8
97.02878	1.8
105.07020	1.9
107.04950	1.9
107.08582	0.9
109.02836	0.9
109.06499	0.5
111.00812	0.4
111.08090	2.1
111.87691	0.4
115.03883	0.9
115.05430	0.4
116.03439	2.2
119.04874	0.4
119.08581	2.3
121.02866	1.3
121.10110	1.2
123.04403	1.0
127.03919	0.7
129.06981	1.5
131.08548	1.6
133.06076	38.6
133.10065	1.0
137.02327	3.1
139.03954	0.4
142.07767	0.4
145.10149	0.5
147.08009	0.5
147.11662	1.5
149.02274	0.7
149.09633	1.2
153.01793	3.0
157.10158	2.9
161.05977	0.5
163.03908	0.8
165.01830	2.7
165.12723	0.6
173.05991	0.5
175.11156	3.0
183.02864	0.8
183.04359	0.4
193.12230	16.6
201.05457	1.6
211.13271	1.9
229.04932	3.6
235.13292	0.6
247.05984	1.3
254.13744	0.4
257.04440	2.7
267.15927	10.0
274.04736	1.0
285.03958	1.0
285.16937	9.9
287.05392	0.6
288.05930	0.8
289.06006	0.8
303.04965	100.0
304.05338	5.2
309.16995	2.4
315.04965	0.6
345.06018	0.5
355.18732	0.4
363.17883	0.4
375.18033	0.5
391.20538	0.7
421.15991	0.4
430.26318	0.4
435.08871	0.5
465.04303	0.6
465.10291	8.5
466.10336	0.8
473.17288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	5.6
55.05496	16.6
67.05176	7.9
67.05503	71.6
69.07058	14.5
71.57299	8.0
73.02917	4.8
74.23500	4.9
79.05493	43.3
81.07054	87.9
83.08622	8.4
85.02897	7.5
91.05492	29.4
93.07041	59.8
95.04989	7.4
95.08606	76.7
99.08127	5.4
105.07049	25.8
107.08587	39.8
109.06513	5.9
109.10148	31.5
111.27682	5.0
117.07003	12.1
119.08561	20.0
121.10139	35.6
123.11710	16.4
129.07014	5.6
131.08517	26.6
133.10115	20.6
135.11700	29.6
137.13231	10.3
145.10110	13.6
147.11665	17.0
149.13249	16.6
151.11177	7.7
151.14725	5.9
159.11694	18.0
161.13242	17.8
163.14793	16.5
173.13235	19.2
177.16393	7.2
187.14886	8.8
191.00104	5.4
214.88426	6.2
243.21024	26.9
261.22144	100.0
288.05762	5.3
335.25769	31.5
353.26779	30.1
415.40146	5.8
561.26801	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	597.1809
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.54149	7.0
69.56283	27.7
69.56706	26.3
85.02914	18.3
85.92421	7.7
91.05451	8.9
93.03411	10.7
95.04959	7.6
97.02882	9.1
98.88898	7.6
103.03974	10.0
107.04956	27.2
109.02872	18.8
121.02871	32.4
133.06161	9.8
135.04448	19.1
147.04456	16.5
149.02403	11.5
153.01787	8.0
161.06010	9.0
165.01770	11.2
173.05899	13.7
177.01749	14.3
183.02960	9.3
187.03889	13.4
189.01830	18.1
191.03397	24.2
195.02797	44.0
201.05432	9.4
203.03241	10.3
207.02776	45.8
215.03375	13.3
219.02869	80.8
225.03827	22.7
229.04939	13.6
231.02921	32.3
233.04239	19.5
237.03946	20.9
243.02940	28.3
249.04021	31.7
257.04477	18.5
261.03946	100.0
271.06125	9.5
273.03958	42.4
285.03955	43.2
291.04965	18.2
297.03836	17.6
297.07306	10.3
299.05533	13.6
303.05014	30.3
309.03967	10.8
315.04971	11.7
321.05988	16.6
327.04987	49.2
327.08615	21.9
339.07977	40.0
345.06094	8.9
351.08557	11.3
357.05884	11.9
363.07120	39.5
381.09784	37.2
387.07364	9.8
393.09448	34.8
405.08237	38.0
411.10822	11.4
416.43576	8.2
423.09842	25.1
429.11679	26.6
441.11060	25.8
447.10785	17.6
483.12616	9.8
495.12802	19.4
507.12344	13.5
612.33643	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	595.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.0
67.05489	19.8
69.07071	16.1
69.33978	27.7
69.34388	100.0
79.05505	14.0
81.07050	37.4
85.02920	35.3
91.05475	20.8
95.08611	45.5
105.07005	12.5
107.08604	16.3
109.10163	17.8
121.10091	14.2
123.11800	11.0
159.45288	10.4
167.07089	15.7
255.55818	10.5
265.77124	11.2
276.79865	10.9
277.12161	10.2
287.05508	85.2
291.50330	11.5
293.28598	20.8
355.27319	12.3
449.10626	12.8
551.33167	26.7
595.35394	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01872	3.8
55.05504	14.9
57.03425	5.7
57.07063	3.9
65.03918	3.4
67.05503	87.6
69.03391	2.9
69.07076	16.0
71.04988	4.3
71.21005	2.8
71.21335	4.4
79.05487	41.4
81.03373	6.4
81.06586	5.2
81.07052	100.0
83.08610	13.5
85.02895	3.4
85.06554	3.5
91.05478	32.1
93.06477	4.6
93.07038	68.2
95.04946	5.2
95.08601	73.5
97.06535	4.2
99.04468	4.0
105.07024	19.1
107.08593	47.6
109.02888	7.4
109.10154	40.4
110.03652	3.8
111.08056	3.4
117.07032	8.0
119.08575	16.0
121.10136	44.4
123.11710	17.9
125.09650	3.1
131.08571	22.5
133.10150	14.4
135.11699	30.4
137.13274	4.7
143.08482	3.7
145.10114	19.3
147.11760	14.5
149.13234	23.4
159.11670	16.1
161.13252	9.4
163.14751	14.0
165.12723	3.2
173.13272	13.6
175.14786	6.6
177.03275	8.8
177.16389	5.5
179.14394	4.4
187.14806	8.7
191.00282	3.3
233.22646	4.8
243.21054	39.5
261.22131	97.9
292.38400	2.9
321.54675	3.8
322.05795	3.1
335.25778	22.7
353.26791	30.7
393.14944	3.3
411.82193	3.6
561.27081	7.1
607.56354	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	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.5
57.03675	0.5
61.02920	2.1
71.04991	10.4
75.04465	0.8
85.02902	16.2
91.03951	1.2
97.02865	0.7
111.00762	0.9
111.04414	0.6
121.02863	2.4
127.03883	0.5
129.05481	4.0
153.01826	3.8
165.01860	1.6
183.02902	0.8
188.73322	0.7
213.05475	1.3
213.83467	0.6
230.11832	0.7
258.05194	1.2
287.05484	100.0
288.05890	1.5
449.10495	0.8
602.35822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00020	2.0
55.05499	7.9
57.03431	10.7
58.92680	2.3
59.21505	2.4
60.86006	2.3
62.11488	1.8
66.92435	2.0
67.05505	33.8
69.07056	10.1
69.69044	7.0
69.69473	8.5
74.44307	2.3
79.05493	21.8
81.03419	15.9
81.07049	39.8
83.08607	5.8
90.26538	2.2
91.05467	9.6
93.07057	20.6
95.04977	2.5
95.08603	30.2
98.21491	2.9
98.98462	36.6
105.07021	8.5
107.08563	14.9
109.02871	12.2
109.10126	11.3
117.06958	3.9
117.46283	2.0
119.08568	6.4
121.10122	9.9
123.11693	7.0
127.03893	2.6
131.08563	4.8
133.10130	4.1
135.11679	7.1
137.13231	3.0
145.10063	4.9
147.11676	4.6
149.13271	3.6
154.81100	2.5
155.01019	4.2
159.11646	4.3
163.06021	3.5
173.02202	3.4
173.13303	3.6
185.30240	2.1
187.14897	2.6
243.20969	5.1
261.03604	14.6
261.22144	8.2
287.05588	2.9
317.24664	2.3
335.07571	2.5
335.25778	100.0
470.50903	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	595.165
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
50.12206	0.2
53.03942	0.4
55.05487	0.3
57.03434	3.1
58.85012	0.2
68.99796	0.5
71.02306	0.6
71.04990	16.5
73.02907	0.4
75.04470	0.9
83.05000	0.5
85.02901	17.4
87.04443	0.4
99.04440	0.3
105.03394	0.3
107.04982	0.3
111.00797	0.5
111.04459	0.6
121.02869	3.1
127.03930	0.3
129.05472	4.1
133.02844	0.7
137.02350	0.8
147.04176	0.2
147.06525	0.8
153.01808	3.2
157.06422	0.3
165.01831	1.8
171.04463	0.2
183.02917	0.7
185.05763	0.3
203.07047	0.3
213.05453	1.0
231.06546	0.7
241.04984	0.6
258.05264	0.9
287.05481	100.0
288.05878	2.1
299.05420	0.8
329.06409	1.4
353.06390	0.6
397.08984	0.4
415.10135	0.3
433.10919	0.5
449.10797	12.0
450.10834	0.4
476.80969	0.3
540.91309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.96459	0.2
52.07264	0.2
57.03432	2.1
59.54874	0.2
61.02928	1.6
68.99784	0.6
69.03391	0.4
69.34669	0.2
71.04989	11.0
73.02897	0.8
75.04462	0.7
79.05492	0.3
83.04984	0.5
85.02901	13.5
87.04462	0.3
91.03949	0.7
91.31873	0.2
96.13875	0.2
97.02872	0.9
98.20718	0.6
99.04462	0.3
109.02851	0.4
111.00802	0.5
111.04440	0.7
119.75594	0.2
121.02862	2.6
125.72177	0.2
126.04299	0.3
127.03871	0.6
129.05489	3.6
133.02879	0.4
137.02365	0.6
147.04425	0.3
147.06500	0.8
153.01826	2.5
157.06459	0.3
162.95236	0.2
165.01802	1.2
183.02892	0.8
185.06026	0.3
198.23174	0.2
202.29173	0.2
213.05377	1.3
229.05057	0.2
229.93535	0.3
231.06516	0.7
241.04974	0.7
258.05264	0.9
259.06216	0.5
271.06006	0.4
287.05478	100.0
288.05850	1.6
299.05521	1.0
300.06302	0.3
311.05508	0.4
323.05798	0.3
325.07278	0.3
329.06628	1.5
353.06561	0.7
383.07620	0.3
415.10336	0.4
431.09671	0.7
449.10828	2.2
532.15076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
64.22102	0.2
65.03928	1.5
68.35319	0.2
68.99802	0.6
69.03425	0.4
69.97777	0.7
69.98190	0.3
70.69706	0.2
71.04987	1.3
79.05493	0.5
81.03429	0.3
81.07045	0.2
85.02900	2.0
91.05482	9.4
95.04957	0.4
97.02897	0.4
103.05467	0.4
105.03372	0.5
105.07061	0.3
107.04945	0.8
109.02866	0.6
111.00854	0.9
111.04395	0.3
119.04941	20.0
120.08132	0.3
121.02858	4.0
127.03913	0.5
129.05504	0.4
133.02873	0.4
135.04420	0.3
137.02313	0.9
137.05992	0.2
145.06465	0.4
147.04407	54.3
148.04749	0.5
149.06004	0.2
153.01819	4.8
157.06435	0.5
165.01820	1.9
165.05481	0.6
167.07014	0.5
171.04413	0.3
177.05574	0.2
181.04933	0.3
183.02887	1.2
185.05963	0.8
189.05505	0.3
197.29254	0.2
203.07011	0.2
213.05463	1.6
215.07111	0.2
231.06445	1.2
241.04955	1.1
243.06584	0.3
258.05249	1.1
259.06000	0.6
269.04559	0.3
287.05487	100.0
288.05795	2.3
291.08670	0.5
299.05499	0.2
329.06500	0.4
347.07541	0.4
353.06622	0.3
364.99557	0.2
383.07944	0.2
449.10681	1.2
577.16907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Kaempferol 3-(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03940	0.4
57.03429	1.0
60.49583	0.3
65.03934	1.2
66.06303	0.3
67.05505	0.3
68.99789	0.6
69.03426	0.7
70.06585	0.5
71.04993	5.0
71.56661	0.5
73.02872	0.3
75.04466	0.3
79.05492	0.5
81.03410	1.1
85.02901	11.5
91.05473	9.6
97.02893	4.0
103.05460	0.3
105.03359	0.5
106.04901	0.3
107.04932	0.8
107.28651	0.3
109.02898	1.3
111.00818	0.6
119.04934	19.4
121.02853	3.2
127.03910	1.0
129.05457	1.2
133.02815	0.5
133.06522	0.3
135.03015	0.3
135.04364	0.3
137.02344	1.0
145.04999	0.4
145.06476	0.3
147.04399	62.9
148.04771	0.9
149.05867	0.3
151.03847	0.4
153.01810	4.1
157.06505	0.4
161.06044	0.3
165.01823	2.0
165.05515	1.2
167.07120	0.4
171.04443	0.4
181.04932	0.6
182.23502	0.3
183.02885	0.8
185.05978	0.6
190.30394	0.3
197.06093	0.3
203.03456	0.5
213.05519	1.3
229.04980	0.7
231.06538	0.9
241.04907	0.7
258.05249	0.9
259.05838	0.5
269.04422	0.4
275.41098	0.3
287.05484	100.0
288.05753	2.5
299.05518	3.4
300.06311	0.4
302.04276	0.6
309.09854	0.6
311.05521	0.4
313.07053	0.3
315.04755	0.4
317.06534	5.7
325.07336	0.3
329.06360	1.3
341.06366	0.4
353.06488	1.0
359.07449	0.3
365.06509	0.9
383.07571	0.9
395.07465	0.8
413.08640	1.1
416.14563	0.4
431.09586	0.9
448.22281	0.3
449.10773	3.3
595.14185	0.8
617.25262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58797	0.3
54.31593	0.4
63.20228	0.3
65.99645	0.3
67.78013	0.3
69.08771	0.3
69.34295	0.6
69.34697	2.5
74.13822	0.3
86.29152	0.3
134.58105	0.3
268.21613	0.3
275.61725	0.3
277.36584	0.3
345.13745	0.3
387.16006	0.4
389.17847	0.7
401.17743	0.5
402.18234	0.5
403.19370	2.2
404.19925	1.0
405.20828	1.4
416.20560	0.4
417.16080	0.5
417.21249	2.6
418.21750	1.5
419.22336	2.0
430.17874	0.6
431.18167	4.9
432.19424	1.2
433.19186	0.4
433.24103	4.9
434.24408	0.7
445.19885	6.2
446.20898	3.1
447.21524	3.5
459.21558	2.2
460.22488	9.8
461.23264	9.6
462.24149	0.5
473.23563	1.6
474.24255	0.7
476.25766	1.1
477.22491	0.6
487.25043	1.0
491.24384	0.8
492.24866	0.7
505.21835	3.9
515.24359	0.5
518.23358	0.4
533.25446	39.9
534.26068	1.0
565.28003	1.1
587.96967	0.4
593.27527	100.0
594.27728	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	593.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20856	8.7
54.26508	8.9
55.05504	37.1
57.03401	11.1
67.05503	52.3
69.03425	20.5
69.07059	37.7
71.57166	12.1
79.05484	43.9
81.03400	21.8
81.07052	100.0
83.04971	22.6
83.08632	15.1
85.02895	49.9
86.08875	10.6
86.09709	12.4
87.00819	15.2
91.05477	39.5
93.07027	61.4
95.04984	26.0
95.08595	60.8
97.02884	20.7
97.10121	16.1
102.52699	10.1
105.01849	23.1
105.07017	43.5
107.05009	9.8
107.08569	40.7
109.02868	17.5
109.10146	43.3
117.07021	10.0
119.08559	37.4
120.08103	10.3
121.10141	39.5
123.11700	23.6
127.03912	32.4
133.10132	23.0
135.08000	12.0
135.11726	24.2
137.06003	19.3
145.04915	13.4
145.10130	15.5
147.11682	22.7
161.13322	9.7
163.11258	10.4
177.05368	11.3
185.31711	10.2
189.16312	13.6
191.38542	11.9
231.05165	11.6
273.25815	27.3
275.19980	12.6
285.07614	13.5
314.32428	10.6
440.49841	12.0
593.34387	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
56.25417	0.2
57.03443	0.3
65.03931	0.5
67.74619	0.2
68.99788	1.1
69.03406	0.3
70.02103	0.3
70.02515	0.7
71.04987	1.5
81.03422	0.5
82.27313	0.2
85.02905	1.7
91.05479	7.8
95.04948	0.2
95.38964	0.2
97.02872	0.8
103.05498	0.2
105.03447	0.3
105.07063	0.2
107.04939	0.6
109.02891	0.4
111.00814	0.9
111.04440	0.3
119.04939	17.1
120.05317	0.4
121.02859	3.4
123.20263	0.2
127.03896	0.7
129.05513	0.3
129.07040	0.3
133.02856	0.6
137.02316	1.0
141.07011	0.2
145.06451	0.3
147.04405	58.3
148.04756	0.8
153.01820	4.6
157.06493	0.9
161.06052	0.2
165.01816	1.7
165.05469	2.3
167.06996	0.2
169.06490	0.2
171.04405	0.3
181.04939	0.3
183.02878	1.0
185.05984	0.7
213.05463	1.8
231.06450	1.0
241.04930	1.2
243.06667	0.2
258.05182	1.2
259.06030	0.6
287.05484	100.0
288.05780	1.7
291.08575	0.6
299.05399	0.3
309.09723	0.3
309.59070	0.2
329.06506	0.6
416.14532	0.2
435.22845	0.2
449.10724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.6
58.86797	5.4
65.27821	4.7
67.05521	26.8
67.68515	5.5
69.07071	5.9
71.57906	6.4
72.19815	5.0
79.05481	23.0
81.03401	7.2
81.07068	24.5
91.05476	17.3
93.07052	32.4
94.06557	19.9
95.08609	23.6
97.06541	5.7
105.07002	13.1
108.08121	28.6
110.09675	11.8
111.08052	11.8
117.06973	5.3
119.08556	9.6
122.09653	29.3
123.08065	23.5
124.07565	6.7
128.10724	31.3
131.08537	7.0
139.23436	4.9
140.10698	100.0
141.09149	5.9
152.07048	13.0
255.82460	5.5
272.25790	8.6
314.12222	13.6
329.72852	5.5
382.33035	8.1
394.33118	16.0
412.34210	45.2
422.54123	5.9
593.34113	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
64.35509	0.4
71.08737	1.1
90.59313	0.5
103.57652	0.4
108.81091	0.4
124.82375	0.5
183.16603	0.4
340.05740	0.5
359.67386	0.5
388.16959	0.8
389.17404	1.1
392.77927	0.5
401.17947	0.7
402.18372	0.7
403.19229	2.7
404.20142	0.9
405.20758	1.5
415.19476	0.8
417.21350	3.9
418.21548	1.4
419.22284	3.7
429.16895	0.7
430.17517	0.9
431.18228	7.8
432.19348	1.4
433.24286	4.2
434.24478	1.4
445.19955	8.0
446.20966	3.1
447.21768	4.2
459.21536	2.8
460.22430	7.7
461.23318	6.7
462.24228	0.6
473.23465	1.4
474.24509	0.7
476.25992	1.0
477.22568	0.8
487.24960	0.8
489.24509	0.5
492.25226	1.1
505.21768	2.9
519.23816	0.9
533.25427	16.5
534.02008	0.5
534.25653	1.0
593.27533	100.0
594.27728	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	592.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05503	14.6
55.38646	1.3
56.05013	1.7
57.03429	4.2
67.05492	3.4
69.03401	3.6
69.07071	4.0
70.06580	4.0
71.01353	6.0
71.04965	2.7
71.08617	7.0
71.57873	2.0
72.08153	5.2
73.02916	10.5
78.77911	1.6
79.05492	3.5
81.03413	3.2
81.07051	7.6
83.04963	17.6
85.02898	19.2
86.05531	2.6
86.06059	47.4
86.09712	3.8
91.05462	3.4
93.07039	4.7
95.01315	3.7
95.04954	2.5
95.08575	2.9
96.08112	8.9
97.02892	4.5
97.06469	1.4
98.09681	19.8
99.08105	9.4
101.02351	3.9
101.05996	16.7
103.03943	3.8
105.07039	2.8
107.08609	3.1
108.08073	2.4
109.02872	1.7
109.10139	2.7
111.04431	29.0
113.02350	7.9
114.09155	2.0
116.10722	52.2
119.04961	2.3
119.08571	5.6
120.08107	2.2
121.10169	2.2
122.09640	2.2
123.08057	2.0
123.11688	1.8
128.08249	1.7
129.05473	20.7
131.03383	3.3
131.08589	2.2
133.10126	1.8
137.05951	3.1
139.76863	1.3
141.01788	8.3
142.08633	11.2
142.12233	3.6
143.10681	10.9
145.02771	3.0
145.10175	1.9
147.04425	3.3
147.06509	5.4
147.11609	1.5
155.07033	4.1
164.10722	6.9
173.11731	5.4
177.05447	4.2
182.15434	3.7
185.08104	8.5
190.12279	5.9
198.14955	1.6
203.09128	7.1
208.13301	9.0
214.18013	12.0
226.14362	32.4
276.42395	1.4
282.11847	1.4
300.18042	5.0
318.19092	43.0
319.19370	2.3
322.08066	1.4
324.21735	2.3
398.25369	2.1
416.26413	21.3
458.20087	3.4
463.68726	1.7
476.20956	2.4
494.22269	100.0
495.22287	2.0
574.28223	6.4
592.29443	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29454	1.1
55.01853	1.1
55.05513	13.4
56.05039	1.0
57.03424	3.8
59.04982	1.9
62.94162	1.0
64.63828	1.1
67.05495	3.6
67.79912	0.9
69.03431	2.7
69.07049	2.8
70.06428	3.9
71.01360	5.7
71.07355	1.1
71.08641	6.4
72.08151	2.6
73.02929	6.4
79.05476	2.7
81.03426	2.5
81.07058	6.8
83.04981	17.2
85.02904	14.9
86.06065	47.3
86.09705	1.4
87.00810	1.1
91.05470	3.0
93.07056	4.8
94.06599	1.0
95.01318	2.8
95.04966	1.6
95.08589	4.8
96.08128	6.7
97.02866	3.1
97.06538	1.8
98.09693	15.9
98.20758	1.1
99.08099	5.1
101.02364	3.2
101.06023	15.0
103.03935	1.1
105.07008	3.5
107.08570	1.9
108.08104	2.4
109.06516	1.1
109.10152	2.1
111.04442	23.0
113.02378	4.9
113.06002	1.4
116.10733	58.0
119.08571	4.1
120.08084	1.2
121.10146	1.8
122.06030	1.0
122.09694	1.4
123.08001	1.6
123.11681	1.0
124.07600	1.3
127.03890	1.9
129.05479	17.8
131.03354	2.9
133.10080	1.1
136.06233	2.0
137.06000	1.7
140.10727	1.1
141.01848	6.5
142.08641	11.3
142.12177	2.0
143.10677	11.3
145.10141	1.0
146.09659	1.4
147.04436	1.0
147.06477	4.4
147.11714	1.2
149.13234	1.0
155.07022	4.2
159.02907	1.5
162.12781	1.1
164.10686	5.0
167.07056	0.9
173.11731	3.6
178.45125	0.8
180.13847	1.5
182.15401	4.3
185.08078	7.8
190.12285	5.3
196.16916	1.2
198.14815	1.5
203.09135	6.1
208.13327	6.9
214.18015	18.4
225.00621	0.9
226.14386	22.2
247.11772	1.7
257.10190	1.2
275.11368	1.1
282.16971	1.3
285.07434	1.8
300.18085	4.2
318.19110	40.2
324.21732	1.9
340.10648	1.1
344.08398	2.2
344.24115	2.5
345.09680	2.7
361.11307	1.7
394.07657	1.0
398.25168	1.4
416.26431	19.4
458.20193	2.8
476.21576	1.5
494.22318	100.0
495.22556	2.9
574.28607	8.4
592.29614	27.8
593.30298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
65.03957	0.5
65.06442	0.4
68.99788	2.2
70.06581	0.7
71.56625	0.6
85.02873	0.9
90.41538	0.5
93.03387	0.9
95.04953	0.9
97.02856	0.7
105.03408	0.5
107.04978	0.8
111.04435	3.9
123.04420	11.2
123.05327	0.7
127.03899	0.6
131.04848	0.5
133.06082	1.2
135.04408	8.4
139.03893	100.0
140.04210	1.0
147.04393	1.8
151.03874	4.6
153.06950	1.3
159.04367	1.3
161.05971	0.9
163.03900	10.3
165.05472	0.6
173.05972	1.0
175.03877	1.3
177.05518	0.7
179.03357	5.5
181.06509	1.8
185.05969	0.9
187.03972	1.8
189.05429	3.0
191.03430	0.7
199.07391	0.7
201.05569	1.1
203.03419	1.7
203.07083	0.8
209.06152	0.9
213.05476	2.2
215.03412	1.2
215.07092	0.5
217.05002	1.9
227.07030	1.1
229.04955	1.1
237.05379	1.2
241.05020	1.6
245.04474	2.6
255.06581	4.1
257.04407	1.6
259.05936	2.4
263.05661	0.6
265.04858	0.7
269.04413	1.8
271.06042	2.1
273.07501	1.3
283.05988	15.2
287.05515	5.6
289.07013	0.7
290.98523	0.5
291.08575	1.5
299.05453	3.7
301.07071	9.1
406.89359	0.5
421.09097	7.8
433.08820	0.6
439.10086	2.2
551.85645	0.5
591.26508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.7
57.03435	12.5
57.07072	47.5
67.05502	43.2
69.07074	19.3
71.08623	35.7
71.57169	5.4
79.05482	30.3
81.07053	50.2
83.08615	17.5
85.10188	11.8
91.05474	47.0
93.07034	37.8
95.04973	4.7
95.08609	43.7
97.10173	6.6
99.08096	3.8
103.05473	3.5
105.07021	53.2
107.07980	3.9
107.08570	19.8
108.54530	3.9
109.10139	21.4
117.07011	12.9
119.08568	47.9
121.10163	17.6
123.11685	7.0
129.06987	7.1
131.08582	17.7
131.86864	3.4
133.10141	41.1
135.11728	18.4
143.08548	7.0
145.10141	17.1
147.11694	41.8
149.13277	11.7
157.10155	6.6
159.11705	15.2
161.13266	36.4
171.11671	8.4
173.13324	10.7
175.14792	11.7
185.13271	11.3
187.14714	4.7
199.14830	10.1
231.21127	13.0
239.23863	5.9
241.19434	35.2
259.20572	100.0
277.21597	7.2
313.27368	95.4
315.23221	7.4
333.24176	52.0
571.47260	6.3
589.48810	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	589.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05502	4.0
57.03435	39.5
61.02923	8.1
69.03412	1.7
69.31583	17.0
75.04464	2.4
79.05480	3.7
81.03429	7.6
81.07057	2.6
83.04990	2.2
85.02924	10.4
91.05476	4.4
94.04105	1.6
95.04977	1.8
95.08569	1.6
97.02853	2.1
98.20792	3.5
99.04451	22.4
103.03951	15.2
103.05469	2.2
105.07021	6.9
107.04922	5.4
109.02876	11.4
109.10148	2.7
110.57073	1.7
115.05438	2.2
117.05487	100.0
123.04377	2.6
127.03910	20.9
129.06995	9.5
131.04901	2.0
131.08591	2.9
132.05692	2.1
133.06459	5.5
133.10104	1.9
133.63541	1.5
137.05972	3.7
139.03992	1.5
145.06511	2.1
147.04359	2.6
153.05444	5.7
157.08574	5.6
159.08029	6.3
161.06007	11.0
161.09566	2.0
167.07037	28.1
172.05200	2.4
173.05954	2.2
175.07564	10.6
183.06497	3.8
187.07542	26.4
189.06964	1.9
189.09158	2.4
191.07051	5.2
199.07538	8.6
201.07555	27.3
202.07782	3.4
203.08495	5.6
205.06505	3.0
206.07253	3.4
217.06230	2.0
218.07230	1.6
219.08589	11.5
220.08783	2.9
221.09583	4.7
231.08067	2.1
233.06009	2.1
233.09601	2.5
234.06737	4.7
235.07477	3.2
237.09018	3.0
247.07574	3.0
248.08232	3.0
249.09032	9.4
251.07022	5.0
260.08307	1.6
261.05536	1.9
261.09006	3.7
262.06168	2.7
263.06976	2.9
265.08453	3.4
266.09326	3.3
275.07083	2.0
277.08575	7.1
278.09363	2.4
279.06473	3.5
279.09918	2.3
281.11700	11.9
283.09668	2.0
289.08615	3.6
291.06464	1.7
291.10062	2.7
292.11069	1.8
293.08078	3.8
294.08780	4.3
295.09662	1.8
297.11252	3.2
306.08972	1.8
307.09579	3.3
308.10391	2.9
309.11188	17.2
310.11844	1.9
311.08984	1.8
321.11136	8.1
325.10895	2.4
325.14398	2.1
326.11426	21.3
337.10638	3.6
338.11444	6.1
339.12308	11.8
340.13037	20.2
341.13818	72.9
351.12158	4.0
352.12979	7.6
353.13571	11.4
372.83844	1.7
379.15350	2.2
383.14737	2.5
415.17657	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	589.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22862	4.0
53.03930	4.4
55.01852	4.5
57.03420	4.5
69.03416	16.2
69.07052	4.7
69.24853	40.2
70.06568	7.4
73.45696	3.7
79.05466	7.0
81.03415	16.0
81.07035	11.3
83.04951	5.3
84.04548	4.0
84.33177	4.4
85.02901	34.5
86.09721	8.8
87.00813	7.8
91.05460	13.0
93.07043	7.3
94.04199	4.7
94.30018	3.6
95.04943	21.2
95.08598	10.2
97.02875	14.6
105.01831	6.2
105.07013	17.0
107.04978	5.8
107.08601	5.6
107.44027	4.4
109.02893	11.0
109.06528	7.0
109.10161	10.9
115.05452	5.7
119.08559	5.4
122.03660	5.1
125.30939	3.6
127.03894	16.9
129.06932	3.8
131.04883	4.5
131.08638	4.1
133.10178	5.2
136.07510	4.0
137.05969	100.0
145.04906	6.3
147.08090	4.9
157.06401	5.8
159.02893	7.3
159.08112	5.0
159.11659	4.3
161.05977	17.5
167.07036	8.8
175.07504	37.2
177.05502	4.8
181.04950	4.4
184.00734	3.9
187.07573	5.4
191.08516	8.7
199.07513	15.1
203.08653	6.1
219.08061	15.6
231.07993	9.4
251.10629	12.7
263.10672	5.1
277.08746	4.0
279.10089	9.3
287.05453	4.6
291.10117	19.5
311.12747	25.2
323.12802	20.4
339.44748	4.5
341.13644	8.6
568.98608	4.5
589.19574	7.5
589.41156	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	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01858	2.8
57.03429	1.7
61.02914	1.8
62.99632	0.7
68.99762	1.8
69.03427	13.0
69.75166	5.2
71.04992	1.5
73.02902	2.0
79.05486	2.6
81.03410	13.4
81.07032	2.1
85.02901	18.4
87.00810	7.8
91.05479	4.8
93.07059	0.9
94.04206	4.5
95.04955	2.6
95.08597	1.0
97.02893	9.0
97.70798	0.7
98.21470	0.9
99.04433	4.5
103.05471	4.4
105.01868	4.4
105.07017	5.3
107.04922	1.7
109.02872	11.7
109.06493	2.6
109.10152	1.1
115.05429	4.2
117.01819	1.5
117.07011	1.6
119.04981	0.8
119.08544	2.5
121.29350	0.8
122.03651	8.5
126.68099	0.7
127.03911	15.1
128.06229	2.5
128.31636	0.7
129.01776	1.1
129.07002	4.0
129.36922	0.7
131.04906	6.7
132.05695	2.1
133.06467	2.6
137.05968	100.0
139.03888	1.6
141.06921	1.8
144.05617	0.8
145.04942	3.2
145.06479	1.5
146.03619	1.5
147.04445	1.1
147.08051	3.5
149.05980	1.9
151.03976	0.8
151.07523	1.5
156.05727	1.2
159.02902	5.2
159.08080	1.6
160.05191	3.3
161.05962	11.7
163.07533	11.5
167.07056	0.7
168.05817	1.1
169.06458	1.2
171.08078	1.6
175.07532	45.5
177.05466	2.0
179.07039	1.5
180.97820	0.8
184.05176	2.4
187.07504	6.1
189.09067	1.2
190.07808	0.8
191.08589	3.3
199.07513	17.2
200.07806	0.9
201.09087	2.1
202.07768	5.8
203.08566	10.0
203.10362	1.1
205.06398	1.1
205.10101	1.1
217.08560	1.8
218.07324	1.5
219.08055	7.3
220.08839	3.0
221.64246	0.8
230.07301	1.9
231.05051	2.1
231.08017	16.7
232.08801	3.0
233.05957	1.3
233.09732	1.6
237.09036	1.4
239.06871	0.9
241.16872	0.9
243.08032	0.9
247.07529	4.9
248.08270	7.4
249.09100	2.0
251.10692	3.1
258.06714	0.9
259.07507	11.3
260.08325	3.2
261.09238	1.6
263.10651	8.0
264.07932	0.8
265.08640	2.5
271.09689	1.8
273.09103	1.1
275.06989	1.3
276.07764	5.4
277.08508	4.9
279.10165	3.5
280.10858	1.0
281.08435	0.8
291.10141	21.7
292.10889	5.6
293.08072	2.6
295.09808	1.0
295.13120	1.7
297.11487	0.7
307.09592	1.1
308.10324	4.7
311.12747	8.5
321.11182	0.9
323.12756	38.4
325.14297	4.4
341.13745	3.4
385.70401	0.8
589.24719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45245	0.7
53.03932	1.9
55.01856	1.3
57.03420	1.1
61.02932	1.2
69.03426	8.2
69.65533	5.9
71.04993	1.2
73.02895	2.0
79.05492	1.4
81.03426	7.4
81.07050	1.5
85.02426	1.3
85.02902	14.9
87.00840	7.3
91.05461	2.7
94.04153	1.4
96.01915	0.8
96.44557	0.8
97.02892	7.6
99.04444	2.2
99.57606	0.8
103.03976	0.8
103.05450	1.4
105.01879	4.0
105.07048	4.3
107.04960	1.0
109.02872	6.7
109.06498	2.2
115.03848	0.9
115.05457	4.2
117.07038	1.0
118.04186	0.9
119.08567	2.7
122.03635	7.5
127.03908	13.6
128.06149	1.2
129.01837	1.4
129.06984	2.9
131.04916	1.8
132.05716	2.4
133.06485	4.4
133.67799	0.8
137.05971	100.0
145.04950	3.0
146.03601	1.1
147.02917	1.4
147.04243	0.8
147.08090	4.0
149.06007	2.1
151.07492	1.0
155.04959	1.2
156.05775	0.9
157.42517	0.9
159.02863	3.4
159.08029	2.5
160.05202	2.6
161.05980	17.6
167.07021	1.8
175.07539	34.1
179.06964	1.9
184.05243	1.0
187.07507	9.5
189.09213	1.6
190.07777	1.4
191.08571	7.0
199.07550	7.4
202.07700	4.6
203.08525	6.5
207.08101	1.0
208.08862	1.0
215.08525	1.4
217.08565	1.0
218.07202	1.9
219.08070	12.6
220.08775	2.8
221.09650	1.2
222.06966	1.0
229.08482	2.2
231.04893	1.3
231.05820	1.2
231.08043	9.3
232.08708	2.3
233.09592	1.6
236.08298	1.6
247.07494	4.7
248.08316	4.7
249.09109	1.4
251.10669	14.1
253.08438	1.0
258.06802	1.0
259.07510	6.2
260.08307	2.3
263.10687	4.4
264.07849	1.6
275.07196	0.9
275.10590	1.0
276.07843	3.4
277.08606	2.5
279.10138	9.7
280.10779	2.0
289.08267	0.9
291.10172	14.6
292.10791	2.2
293.07941	1.8
295.13107	1.3
296.10336	1.0
308.10373	2.5
309.11157	1.5
311.12778	31.4
312.13013	1.1
323.12756	24.9
335.12762	2.3
341.13773	3.2
353.13785	1.8
363.12531	1.1
401.13766	1.1
561.15570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.5
53.03934	1.5
55.01866	1.2
57.03432	0.9
61.02903	0.8
65.03934	0.7
68.99780	1.2
69.03426	8.0
70.83002	1.6
71.04971	1.2
73.02898	0.8
74.63889	0.5
79.05462	1.3
81.03416	7.5
81.07031	1.1
85.02434	0.9
85.02905	14.0
87.00825	5.2
91.05463	3.2
94.04176	3.8
95.04941	0.7
97.02914	5.3
99.04458	2.9
101.50493	0.5
103.05445	2.1
105.01870	3.3
105.07019	4.8
107.04935	1.2
109.02872	7.3
109.06525	1.5
115.03900	0.7
115.05440	3.1
117.01833	0.9
117.07003	1.6
119.08594	1.8
121.06511	1.4
122.03650	7.0
127.03924	10.3
128.06224	1.6
129.01842	0.8
129.06998	2.1
131.04924	1.0
132.05708	2.3
133.06487	4.2
136.81004	0.6
137.05971	100.0
138.06262	0.9
143.04904	0.8
144.05704	0.8
145.04921	3.7
145.06505	1.2
146.03621	1.1
147.02846	0.8
147.04391	1.1
147.08051	3.1
149.05974	2.1
155.04860	1.1
157.06462	0.6
159.02867	4.0
159.08057	2.5
160.05205	1.8
161.05983	17.9
163.07538	1.3
171.08040	1.2
172.05173	1.4
175.07542	34.0
176.07881	0.6
179.07047	1.9
184.05171	0.7
187.07516	8.1
189.09032	0.7
190.07733	1.9
191.08537	7.2
199.07504	5.5
202.07838	3.1
203.06920	0.9
203.08583	7.1
207.08035	1.3
208.08899	0.8
217.08649	1.2
218.07272	1.6
219.08052	12.6
220.08772	3.6
221.05980	0.7
231.05467	1.0
231.08041	9.7
232.08788	1.3
235.07484	1.3
236.08319	1.9
237.09048	0.8
245.09763	0.6
247.07518	5.4
248.08327	4.9
249.08960	1.4
251.10663	11.9
258.06757	0.9
259.07507	6.2
260.08316	2.1
261.09268	0.9
262.09937	0.8
263.10712	4.6
264.07947	1.4
265.08459	1.1
267.10336	0.7
273.09238	0.7
276.07800	3.3
277.08557	3.0
279.10129	10.4
280.10910	0.9
283.13525	0.6
290.09515	0.7
291.10117	14.3
292.10934	2.1
293.08069	1.6
295.09766	1.1
295.13498	0.7
296.10522	1.4
297.11234	1.0
303.10059	0.9
308.10385	1.4
309.11160	0.6
311.12753	28.4
312.13123	1.0
321.11292	1.9
323.12750	23.8
324.13110	0.8
335.12698	1.8
338.40140	0.6
341.13776	0.9
353.13574	0.8
365.13742	0.9
572.16461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10487	0.3
55.05508	2.0
56.05028	0.6
56.96545	0.4
57.05791	0.3
58.25317	0.4
59.85997	0.3
67.05476	0.3
69.03416	0.4
69.07062	3.7
70.06598	0.5
71.56638	0.4
72.08152	23.9
81.03409	0.5
81.07037	0.4
84.04499	3.4
85.02893	0.7
86.09702	100.0
87.19710	0.3
91.05471	0.6
91.95518	0.3
97.02931	0.6
102.05535	6.9
109.02810	0.4
120.08063	0.4
132.10208	0.8
137.06000	0.4
138.09154	1.0
145.05037	0.3
151.03917	0.5
156.10240	0.4
164.07103	0.7
170.11769	0.5
176.03439	0.7
177.05467	0.4
183.11345	1.3
184.07336	0.6
185.16493	6.9
197.12897	0.7
199.18130	1.2
201.12331	3.3
206.04535	0.9
206.08130	0.4
213.10269	0.9
213.15973	10.5
215.13904	21.6
224.69659	0.4
225.10178	0.7
227.08214	1.6
227.17598	0.5
229.11853	1.5
238.07344	0.4
239.08183	0.6
240.09004	2.0
241.09715	3.9
243.13403	43.5
244.13797	0.5
245.18605	5.1
253.09653	2.7
254.10385	0.8
267.11087	0.5
271.10779	1.2
272.11505	0.4
281.09152	1.9
282.10052	1.1
295.10913	0.5
297.12238	0.4
297.18158	0.5
299.10242	8.0
299.13449	0.6
300.10831	2.1
311.19617	0.6
313.11670	2.3
314.20679	0.7
324.19202	0.6
326.24356	0.6
342.20230	26.0
343.20667	0.4
344.25360	2.5
345.14438	1.9
356.21906	0.7
359.12201	0.4
373.13916	10.7
374.14603	0.6
401.13690	0.5
427.29166	2.3
455.28717	3.0
492.17957	0.5
496.20709	1.4
506.19315	0.5
509.64612	0.4
550.18585	1.0
568.19427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.05496	18.2
57.03415	10.4
61.04593	3.0
62.72937	2.9
67.05507	30.6
69.03430	5.7
69.07065	28.8
69.55724	25.1
71.01338	10.9
71.04963	4.8
73.02909	20.5
79.05503	21.2
81.03408	5.9
81.07046	53.1
83.04974	3.8
83.08599	10.3
85.02896	50.0
88.57780	3.1
91.05467	30.4
93.07040	43.3
94.07352	3.6
95.04945	7.7
95.08598	68.8
97.02877	7.8
97.06539	3.8
97.10152	4.6
98.21535	3.4
101.02361	5.1
103.04003	3.7
105.07027	49.6
107.08588	69.4
109.10139	43.0
113.02357	11.7
117.06995	11.5
119.08568	62.5
121.06507	3.4
121.10147	42.5
123.11689	12.3
129.07001	5.9
131.03401	16.8
131.08566	53.9
133.10107	38.8
135.11665	28.5
137.13268	4.0
141.01820	3.5
143.08557	11.7
145.10095	38.1
147.08069	3.7
147.11676	29.3
149.05887	3.5
149.13271	15.6
155.08514	5.3
156.09396	3.7
157.10109	14.7
159.11678	31.8
161.13246	31.6
163.14815	64.1
169.10144	3.6
171.11682	15.8
173.11900	4.7
173.13271	24.7
175.14836	26.2
177.16388	42.8
183.11705	7.1
185.13220	14.9
187.14795	73.3
189.16370	100.0
191.17914	11.9
197.13327	5.4
199.14801	10.6
201.16397	52.2
203.18001	14.8
207.17522	3.3
211.14815	5.2
213.16353	15.2
215.17938	14.4
217.19521	24.5
225.16296	4.5
227.17888	13.3
228.61119	3.3
229.19423	17.9
241.19595	10.9
243.21126	12.2
253.19507	35.7
255.21027	33.8
257.22629	74.5
267.21048	21.1
269.22626	56.0
295.24133	8.3
307.24258	4.4
391.33591	54.2
409.34515	14.9
413.17697	7.6
585.28168	58.4
585.37854	46.7
586.27747	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	585.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36229	1.6
52.67768	1.7
55.01856	3.4
55.05505	11.0
57.03424	4.7
57.07074	3.2
67.05501	19.1
69.03433	2.4
69.07063	28.3
69.07407	2.4
69.89895	10.8
71.01353	8.4
73.02912	18.6
79.05489	17.7
81.07053	35.6
83.08635	7.7
85.02902	45.8
87.28076	1.7
91.05471	19.0
93.07037	39.8
95.01308	3.2
95.04948	4.9
95.08601	60.1
97.02891	4.5
97.10161	5.1
98.21554	2.7
101.02384	4.7
103.03954	3.9
105.06324	1.8
105.07018	39.5
107.08585	68.7
109.10153	38.4
109.10906	1.9
111.08050	2.6
113.02349	17.9
117.07031	8.4
119.08569	51.2
121.10131	50.9
123.11706	16.3
128.06238	3.2
129.07022	4.7
131.03410	12.5
131.08559	65.4
133.10123	36.2
135.11665	34.1
137.13281	6.8
141.01823	4.9
143.08536	10.4
145.10117	46.2
147.11687	28.4
149.13237	15.3
155.08530	4.5
157.10114	17.9
158.10880	2.7
159.02899	4.6
159.11693	26.9
161.13271	27.2
163.14812	56.9
169.10127	4.1
170.10942	3.0
171.11716	14.3
172.12445	2.6
173.13277	22.3
175.14824	21.7
177.16391	42.9
183.11668	5.3
185.13254	11.8
187.14810	69.5
189.16364	100.0
191.17961	14.2
197.13258	4.0
199.14819	12.2
201.16371	53.9
203.17920	19.0
211.14861	5.2
213.16432	12.8
215.17972	15.9
217.19524	26.5
225.16415	5.4
227.17938	13.4
229.19521	21.9
239.17914	4.4
241.19427	15.9
243.21016	12.3
253.19490	31.7
255.21063	39.2
257.22626	76.9
267.21103	20.7
269.22641	55.3
281.22485	4.2
283.24503	2.6
295.24146	8.3
305.09549	2.1
307.24155	2.9
321.25989	2.5
335.27405	2.3
391.28763	3.4
391.33582	54.2
392.33954	2.6
409.34653	15.0
461.25363	3.7
585.29431	4.2
585.37860	36.9
595.37354	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	585.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.4
59.39139	5.9
59.88790	5.1
66.73400	5.0
67.05503	36.4
69.03400	5.1
69.07065	43.5
71.01349	16.1
71.03213	12.1
71.03555	8.2
73.02921	24.8
79.05476	30.3
81.07052	77.9
83.01364	5.5
83.08607	11.1
85.02910	52.9
91.05488	38.2
93.07039	62.3
95.01340	26.3
95.08604	100.0
95.42854	4.8
97.10164	6.2
103.03918	9.0
105.07034	73.8
107.08587	89.7
109.10153	61.8
109.65804	5.7
111.11697	5.6
111.48322	4.9
113.02341	14.3
117.06998	10.1
119.08590	64.9
121.10140	50.9
123.11716	20.2
123.91729	5.1
129.07016	11.2
131.03412	21.9
131.08624	32.6
133.10129	55.2
135.11684	25.9
137.13226	8.4
141.01825	59.4
142.07854	6.1
143.08557	19.1
145.10118	56.8
147.11674	40.0
149.02290	5.2
149.13242	61.0
155.08560	8.8
157.10092	27.6
159.11703	39.9
161.13249	35.4
163.14807	71.7
167.08623	7.3
169.10162	17.8
171.11694	23.8
173.13226	30.1
175.14828	55.7
177.16359	35.9
183.11682	19.2
185.13298	26.6
187.14819	56.2
189.16367	47.7
191.14400	17.5
195.11664	5.3
197.13289	20.3
199.14848	23.4
201.16376	45.7
203.17982	56.4
205.15877	7.5
209.13235	6.1
211.14903	17.1
213.16365	37.7
215.17978	19.0
217.19461	6.4
223.14680	6.6
225.16368	16.1
227.17966	28.5
229.15819	6.6
229.19533	10.6
237.16415	7.8
239.17989	10.1
241.06223	5.2
241.19524	21.8
243.21175	8.2
253.19537	9.9
255.21175	22.1
267.21115	14.3
269.22675	7.0
276.38022	5.8
285.22330	7.0
309.25830	7.1
349.28671	6.7
351.30402	10.5
389.32056	8.7
391.33496	72.5
407.33121	13.7
409.34689	32.2
435.23856	10.6
447.23907	12.5
461.25043	28.1
585.29120	9.6
585.37866	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45090	1.5
53.03937	2.7
55.01856	1.6
55.05504	10.7
55.84028	1.6
57.03434	4.4
57.07070	3.8
60.29212	1.8
67.05504	25.4
69.03422	2.6
69.07066	31.3
70.96868	1.6
71.01351	8.7
71.58199	4.0
73.02914	13.6
77.55816	2.0
79.05486	26.1
81.03420	2.7
81.07053	60.5
83.04993	2.0
83.08620	8.8
84.08938	1.7
85.02898	32.6
91.05472	20.7
92.68423	1.5
93.07037	53.8
95.04977	6.7
95.08601	67.4
97.02904	2.1
97.06528	4.0
97.10160	4.0
99.00843	2.2
101.02312	2.7
103.03949	1.8
105.07021	40.8
105.81789	2.1
107.08587	75.1
109.02848	1.9
109.06502	1.9
109.10150	29.1
111.08102	2.0
113.02390	13.6
115.05475	1.7
117.07005	7.9
119.08575	42.2
121.06577	2.1
121.10139	44.8
123.11692	15.3
127.03885	2.6
129.06996	5.3
130.07793	2.5
131.03413	10.0
131.08556	17.5
133.10118	36.0
134.80388	1.8
135.11681	29.0
137.13254	14.0
141.01831	4.7
141.07048	2.8
143.08545	16.0
144.09377	2.6
145.10104	29.8
147.11687	50.3
149.05943	2.8
149.13255	63.7
151.07576	2.0
155.08525	3.3
156.09332	3.1
157.10109	20.1
159.02928	3.9
159.11673	33.6
161.13248	16.4
163.14812	100.0
169.10172	5.1
170.10968	2.4
171.11693	17.9
173.13257	20.7
175.14832	16.7
177.16371	23.8
183.11722	6.7
185.13251	15.3
187.14809	22.9
189.16371	29.5
189.17918	3.0
191.17989	4.2
197.13260	4.2
198.14142	2.1
199.14803	13.1
200.04700	3.1
201.16376	17.2
203.17940	33.5
205.19589	2.0
211.14851	5.2
213.16379	15.5
214.17143	1.8
215.17935	44.5
217.19476	4.8
225.16411	4.0
226.17136	3.1
226.63878	1.9
227.17902	20.1
228.18663	3.2
229.19489	20.4
239.17972	4.3
241.19495	24.5
243.21030	12.6
252.18845	2.1
253.19539	7.3
255.21056	44.1
257.22650	8.8
267.21060	14.0
269.22592	21.8
271.06073	7.0
281.22705	5.7
283.24310	2.6
285.22195	3.7
291.36646	1.8
293.22925	1.8
295.24280	6.0
299.05466	3.7
301.07208	1.8
307.24100	1.8
321.25647	2.4
330.36948	1.9
335.26974	2.0
391.33566	70.4
392.33704	2.2
399.08444	1.8
405.69702	1.9
409.34702	20.3
410.34912	1.7
449.12399	1.7
461.25220	15.1
462.55630	2.0
467.56552	1.9
569.55487	1.9
585.18060	3.8
585.37860	72.9
603.42694	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	585.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07254	1.9
53.03923	3.0
55.05511	14.5
56.04499	2.0
57.03432	4.7
57.07075	3.9
67.01936	2.0
67.05503	21.9
69.03426	3.8
69.07066	29.2
69.63859	2.1
69.64183	17.5
71.01352	6.3
71.08581	2.6
73.02915	15.1
79.05487	16.6
80.20509	2.1
81.03417	2.7
81.07051	63.6
82.26508	2.0
83.04987	2.8
83.08617	9.4
85.02427	3.0
85.02905	35.3
91.05470	26.6
93.07045	59.4
95.04955	8.9
95.08599	64.4
97.02879	3.8
97.06531	3.8
97.10184	6.1
98.21452	2.2
99.00801	3.4
101.02397	6.1
103.03966	3.5
105.07020	49.4
107.08591	78.2
107.09299	4.0
107.41567	2.1
109.10147	34.9
111.08024	2.2
111.11706	2.5
113.02322	10.6
115.05577	2.2
117.07007	9.1
119.08574	48.9
121.06541	2.8
121.10135	54.3
123.04395	3.0
123.11685	14.9
127.03971	2.7
129.07018	5.7
131.03406	12.9
131.08568	17.3
133.10133	44.0
135.11682	33.2
137.13242	11.9
141.01849	6.1
141.06999	2.6
142.07814	4.9
143.08533	16.8
144.09181	2.4
145.10126	32.5
147.11685	52.3
149.13255	79.3
151.07539	3.2
153.39406	2.6
155.08539	4.4
156.09358	3.7
157.10146	20.6
159.11699	34.9
160.12439	2.8
161.13237	20.5
163.14825	100.0
169.10197	5.2
170.10904	3.1
171.11713	17.5
172.12349	2.4
173.13293	19.5
175.14836	20.5
177.16411	30.2
183.11722	6.7
185.13263	13.9
187.14822	26.7
189.16362	27.3
191.18069	3.6
197.13364	6.5
199.14850	13.1
200.04758	3.7
201.16428	19.1
203.17955	40.4
211.14873	4.2
213.16414	18.7
215.17961	46.1
217.19514	4.4
219.11705	2.7
225.16391	2.7
227.17911	18.7
228.18555	2.5
229.19485	25.4
239.18028	4.2
241.19489	31.6
243.21039	12.7
253.19550	10.5
255.21063	52.8
257.22571	11.0
267.21204	11.6
269.22641	29.1
271.05988	5.2
281.22711	4.6
285.22168	4.3
295.24164	6.9
297.25995	2.7
299.05548	5.9
335.27484	2.9
391.33572	72.0
404.09766	2.6
409.34653	27.4
449.12384	3.4
461.25226	16.1
463.13876	5.0
585.17810	3.6
585.37872	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09028	0.6
53.54277	0.7
55.01863	1.9
57.07053	0.9
58.82996	0.7
58.99564	1.4
59.79928	0.7
59.80302	0.7
61.01127	1.6
70.02965	1.0
70.63165	2.3
70.63527	1.0
71.06116	10.5
72.04510	2.8
72.34488	0.9
73.02912	0.9
74.00658	1.8
76.02221	1.3
76.03992	2.8
77.00623	9.8
78.03793	4.0
83.06103	1.2
84.04511	7.0
85.04015	6.4
85.06557	0.8
86.00652	1.5
86.06066	2.4
88.02140	0.8
92.01700	2.6
92.98335	4.5
95.04918	0.8
98.06030	1.2
99.05577	2.4
102.03765	4.1
107.06039	0.9
107.99413	0.8
109.07644	4.3
110.00960	3.3
112.03966	1.6
113.01720	1.2
113.03481	2.0
113.05979	1.5
114.03757	0.9
115.08647	0.9
118.03234	25.0
120.04784	3.0
124.07570	1.7
129.06613	1.1
130.03242	7.8
130.04979	7.9
131.02827	1.0
131.04515	13.1
131.05423	1.5
131.06393	3.1
132.04747	3.6
134.00949	2.1
135.05539	1.1
139.03239	1.9
140.01636	1.8
142.08649	4.7
145.06061	1.6
147.05862	54.7
149.07430	23.7
150.00372	1.5
153.06583	2.6
155.04500	1.0
155.08154	5.7
159.02246	2.8
159.05931	0.9
160.00592	1.0
164.01994	0.9
176.01985	2.6
177.03285	22.7
181.04626	7.7
181.06067	2.8
184.09718	3.4
185.03807	14.5
187.05396	1.2
187.07338	1.0
188.01961	0.9
193.04721	0.9
199.07172	3.8
205.04630	2.8
209.00496	4.6
211.07187	1.3
213.12202	1.1
222.07259	1.1
231.04330	33.2
243.04428	1.6
246.99266	0.7
254.06271	3.7
255.32600	0.7
256.09335	1.3
257.07675	1.1
259.11221	1.0
268.07886	2.2
277.12360	1.0
288.06549	5.4
293.09772	2.2
296.07312	1.6
307.09039	1.4
308.07309	3.0
325.09961	100.0
326.10269	1.5
361.10205	0.9
379.11060	6.5
391.10837	1.5
419.10721	0.9
436.13135	9.0
437.15302	11.1
454.14191	18.2
509.17380	1.7
548.18414	1.1
566.19293	8.0
579.46570	0.8
584.20374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.05099	2.7
55.05503	12.5
57.07071	10.1
66.55825	2.7
67.05499	28.6
69.03424	7.4
69.07066	8.3
70.24803	7.5
70.25197	6.3
77.50943	3.1
79.05492	21.4
81.07047	26.2
83.04990	4.0
83.08604	6.0
88.13088	3.5
91.05476	38.2
93.07037	44.4
95.04958	9.5
95.08601	37.2
95.09165	4.0
97.06493	3.6
98.48244	3.2
104.54880	3.0
105.07033	51.0
107.04964	11.4
107.08582	19.8
109.06528	7.2
109.10180	14.4
117.07034	10.8
119.08581	47.9
121.06516	4.9
121.10143	30.5
123.08043	23.3
123.11707	3.1
128.06239	5.9
129.07008	9.3
131.08566	25.4
133.06546	5.7
133.10123	21.8
135.08031	15.2
135.11726	11.1
137.09612	15.5
142.07790	15.5
143.08551	19.0
144.09387	3.2
145.10114	33.0
147.08044	22.4
147.11740	10.7
151.07544	26.0
155.08585	12.3
156.09380	12.6
157.10123	33.0
157.11119	3.0
159.08138	4.8
159.11667	22.4
161.09691	4.6
161.13315	5.4
163.11195	8.6
165.07056	3.7
165.09102	47.3
167.08582	8.0
169.10095	18.0
170.10931	7.1
171.11734	23.4
173.13272	11.5
175.11270	3.1
175.14803	5.0
179.08549	8.4
181.10120	7.9
182.10931	6.0
183.11687	21.0
185.13310	18.8
187.14888	5.6
189.12762	9.8
191.14400	4.2
192.09265	3.6
193.10182	6.2
194.10944	7.8
195.11693	14.9
196.12540	6.1
197.13292	13.2
199.14934	4.2
203.14291	26.5
206.10956	7.2
207.11719	12.5
207.13661	5.3
208.12476	4.1
209.13211	16.5
211.14720	3.1
213.12746	3.3
213.16330	3.1
219.11708	4.4
219.17583	3.2
220.12370	3.1
221.13281	11.6
221.15315	71.7
223.14876	10.7
225.16379	5.3
231.17635	4.7
233.13260	7.3
235.14874	8.3
237.16386	5.1
239.18185	3.3
245.13431	3.9
247.14789	7.1
249.16493	5.8
251.18147	3.7
253.19539	4.2
261.16449	3.6
263.18143	3.7
265.19647	4.9
276.49704	3.4
283.20630	5.5
295.20547	4.9
297.22165	7.0
302.62494	3.2
305.17538	4.6
357.25827	3.7
375.26968	8.7
403.30096	14.6
503.35327	7.8
565.40259	38.6
583.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.05515	21.1
57.07072	11.2
59.05002	5.3
67.05502	26.1
69.03419	8.3
69.07065	26.8
69.26305	6.2
69.26708	20.2
75.52725	2.4
77.03922	4.3
79.05479	29.3
81.07053	42.9
83.04980	10.0
83.08611	8.5
85.06538	6.3
91.05476	49.0
91.67635	2.5
93.07042	70.2
95.04966	14.7
95.08051	3.8
95.08605	38.7
97.06535	7.8
103.05447	5.1
105.07028	84.7
107.08598	59.7
109.06519	11.5
109.10140	24.4
111.08086	4.3
115.05443	4.2
116.06212	2.5
117.07003	19.0
119.08574	96.0
121.06542	5.5
121.10137	60.1
123.08074	20.0
123.11722	7.6
125.05984	3.2
125.09629	4.1
128.06233	13.2
129.07011	20.9
130.07820	6.5
131.08569	44.6
132.73775	2.4
133.06499	3.3
133.10132	55.8
135.08055	8.3
135.11684	20.3
137.09641	9.4
139.11211	5.4
141.06982	8.9
142.07779	28.5
143.08546	43.1
144.09410	6.1
145.10121	67.6
147.08035	15.3
147.11705	22.2
149.09622	12.4
149.13210	5.9
151.07541	15.8
153.06963	4.4
154.07796	5.4
155.08548	23.2
156.09346	19.2
157.10123	60.5
158.10896	9.5
159.08083	7.2
159.11702	33.7
161.09686	4.6
161.13283	10.3
163.11221	6.7
163.14830	3.1
165.07001	10.2
165.09114	21.0
166.07874	4.5
167.08537	11.0
167.10666	47.2
168.09399	8.8
169.10109	29.0
170.10921	9.7
171.11668	35.5
172.12440	3.6
173.09612	4.6
173.13266	28.1
175.11148	5.4
175.14789	12.4
178.07718	2.7
179.08519	18.3
180.09326	7.7
181.10126	22.5
181.12218	4.1
182.10971	9.4
183.11679	30.4
184.12505	5.6
185.13255	20.1
187.11246	3.1
187.14810	10.2
189.12787	8.2
191.08571	4.2
191.14339	7.2
192.09370	4.2
193.10176	14.8
194.10898	14.0
195.11729	31.1
196.12505	8.3
197.13297	26.7
199.11253	3.0
199.14767	18.6
201.16328	4.1
203.14340	8.3
205.10144	6.8
206.10875	7.5
207.11732	25.0
207.13774	9.0
208.12469	8.9
209.13251	28.2
209.15103	3.1
210.13989	7.1
211.14742	15.2
213.12772	4.3
213.16454	4.7
215.14410	4.0
217.10176	4.0
217.15906	10.4
218.11023	4.1
219.11705	7.0
220.12541	7.5
221.13298	15.7
221.15411	36.8
222.14014	5.6
223.14775	17.8
225.12741	4.7
225.16391	7.3
227.14331	3.0
227.17809	3.7
231.11713	6.9
231.17545	3.2
232.12497	5.7
233.13203	12.2
233.15411	19.7
234.14041	4.3
235.14751	12.8
236.15771	3.1
237.16458	8.3
239.17990	5.1
241.15851	4.4
244.12634	3.0
245.13177	11.9
246.14041	7.1
247.14865	10.8
249.16522	9.1
250.17146	3.3
251.17984	6.4
257.18988	4.9
259.14868	8.3
260.15665	4.2
261.16425	9.0
263.17978	6.4
265.19550	9.9
267.17715	2.8
269.18921	5.3
271.14697	5.2
273.16312	6.9
275.17999	10.7
277.19586	5.1
283.20490	13.7
287.17886	4.2
289.19559	5.5
299.20313	3.2
331.24234	5.9
335.24158	3.2
349.25302	6.8
359.23914	3.5
361.25555	4.3
403.30219	6.3
411.47632	3.0
472.28970	3.0
491.35114	3.6
547.39172	5.4
565.40143	21.8
583.41473	100.0
584.42096	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.05512	17.6
57.07080	14.4
59.04985	7.2
61.77543	1.8
65.03922	2.5
66.97556	2.7
67.05506	29.7
69.03418	6.8
69.07065	19.3
69.31023	18.2
69.31432	3.1
77.03883	2.1
79.05490	31.8
81.07053	36.5
83.04985	9.1
83.08611	12.2
85.06543	9.2
91.04899	2.3
91.05476	53.5
93.07035	59.4
95.04968	16.1
95.08602	41.4
97.06541	6.5
98.21574	3.1
98.22343	1.8
103.05456	4.6
105.04597	2.1
105.07024	89.3
107.04945	3.5
107.08591	61.0
109.06508	14.1
109.10155	23.3
111.08062	3.4
115.05451	5.7
116.06271	3.3
117.07013	22.2
119.08573	100.0
121.06522	8.4
121.10133	50.8
123.08048	18.8
123.11678	10.3
125.05970	4.8
125.09613	3.7
128.06203	16.8
129.07001	20.3
130.07773	6.8
131.08566	38.2
133.06464	4.5
133.10123	41.4
135.08040	10.8
135.11694	14.3
137.09622	10.6
141.06967	14.0
142.07784	32.0
143.08556	48.4
144.09355	11.2
145.10121	64.3
147.08051	19.2
147.11653	15.7
149.09644	7.1
149.13248	5.1
151.07550	13.6
151.11147	2.0
153.07018	5.9
154.07721	4.5
155.08521	24.7
156.09329	23.2
157.10126	65.4
158.10921	10.3
159.08098	4.7
159.11678	32.8
161.09618	9.5
161.13287	8.7
163.11211	8.3
165.07031	10.1
165.09102	34.2
166.07811	5.1
167.08562	12.0
167.10661	15.4
168.09312	9.9
169.10106	32.1
170.10933	10.5
171.11670	36.1
172.12454	2.7
173.09651	4.8
173.13263	26.8
175.14867	8.1
179.08565	19.5
180.09390	6.1
181.10136	21.0
181.12210	5.4
182.10919	11.3
183.11682	38.0
184.12531	3.4
185.13255	22.3
187.11259	2.7
187.14856	8.1
189.12773	6.0
191.08539	4.2
191.14261	10.6
192.09361	10.9
193.10133	18.5
193.11719	2.7
194.10912	14.8
195.11655	30.3
196.12466	4.3
197.13269	20.3
198.14043	2.8
199.14804	17.8
201.12717	3.9
201.16412	3.9
203.08578	2.2
203.14262	14.4
205.10185	6.7
206.10895	9.9
207.11745	28.2
207.13762	5.3
208.12529	8.6
209.13254	29.7
209.15160	3.4
211.11279	2.6
211.14804	13.1
213.16353	5.3
217.10172	5.3
217.15851	13.7
218.10898	4.9
219.11725	11.7
220.12505	8.8
221.13240	16.8
221.15414	58.8
222.14084	4.7
223.14813	16.0
225.16457	5.0
227.14388	2.9
229.10172	3.0
229.16014	2.5
230.10863	3.4
231.11647	11.0
232.12454	3.6
233.13277	14.5
233.15460	7.3
234.14104	6.1
235.14781	14.0
236.15744	4.0
237.16406	10.6
239.17966	6.6
241.19531	2.7
243.11658	4.9
243.17412	2.1
244.12410	5.3
245.13268	9.1
246.14131	7.3
247.14845	13.3
247.17023	3.0
248.15536	5.6
249.16370	12.7
250.17168	2.7
251.17992	6.3
253.19780	2.4
257.13101	4.2
257.18945	10.6
258.14111	2.7
259.14728	9.1
260.15628	6.8
261.16357	11.6
262.17230	4.7
263.18042	7.1
265.19598	8.0
267.17422	2.0
269.19089	4.0
271.14697	3.1
271.20630	4.4
273.16400	7.6
274.17484	2.3
275.17834	13.9
277.19464	4.7
281.19043	2.6
283.14929	2.4
283.20538	17.6
284.15509	2.8
285.16122	3.2
287.20224	5.8
289.19586	6.5
295.20651	2.3
297.22092	3.9
299.20419	2.4
301.19254	3.7
303.21100	3.6
307.20261	2.1
309.22098	3.2
317.22662	2.8
331.24142	5.4
347.23459	3.6
349.25296	9.6
361.25183	3.4
375.26883	5.4
403.29956	3.9
491.35208	8.3
547.39777	3.2
565.40320	15.6
583.41455	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
51.37099	1.4
53.03939	4.1
53.27164	1.4
54.53104	1.2
55.01864	1.8
55.05508	17.0
56.67248	1.3
57.07073	14.8
59.04989	5.5
65.03925	4.9
67.05500	28.5
69.03425	9.5
69.07066	24.7
71.58785	1.5
77.03931	2.8
79.05490	34.0
81.03417	2.2
81.07053	42.4
82.39846	1.6
83.04980	9.1
83.08617	9.5
84.10448	1.4
85.06523	8.6
86.68098	1.7
91.05476	58.2
93.07040	72.7
93.92260	1.4
95.04959	17.9
95.08600	43.5
97.06536	6.5
103.05443	3.1
105.07028	95.0
107.04937	1.8
107.08592	57.0
107.53712	1.4
108.05764	1.7
109.06500	12.1
109.10156	26.4
111.08076	2.9
115.05459	6.7
116.06287	2.4
117.07018	22.0
119.08578	100.0
121.06510	5.4
121.10146	55.0
121.11037	2.4
122.07275	1.9
123.08065	22.1
123.11726	9.1
125.05962	3.5
125.09612	2.8
125.51685	1.4
128.06210	16.6
129.06984	24.6
130.07777	10.0
131.08565	42.6
131.09531	2.9
133.06544	4.2
133.10117	48.6
135.08058	13.2
135.11699	17.9
137.09608	20.0
139.11191	2.1
141.06975	11.6
142.07780	35.8
142.27440	1.6
143.08557	52.1
144.09349	12.1
145.06525	3.0
145.10123	59.1
146.10878	1.7
147.08049	26.7
147.09155	1.1
147.11690	21.6
149.09601	9.1
149.13249	5.7
151.07530	26.4
153.06943	7.6
153.09151	1.9
154.07809	6.2
155.08546	24.3
155.10710	2.0
156.09335	26.7
157.10120	61.7
158.10945	11.6
159.08075	6.1
159.11693	31.6
161.09598	7.8
161.13242	11.3
163.11197	10.9
165.07039	11.6
165.09103	44.0
166.07819	5.6
167.08546	15.1
167.10670	11.5
168.09325	13.2
169.10121	38.2
170.10918	12.4
171.08002	2.0
171.11678	36.6
173.09549	3.9
173.13251	28.7
175.11200	3.6
175.14845	11.5
178.07817	2.9
179.08540	21.7
180.09348	6.6
181.10107	25.3
181.12259	6.8
182.10916	11.0
183.08121	2.1
183.11691	36.6
184.12540	6.2
185.13251	25.0
187.11218	4.7
187.14812	10.2
189.12688	8.9
191.14297	12.1
192.09322	8.3
193.10117	18.9
194.10893	13.3
195.11679	31.3
195.13440	3.2
196.12433	10.2
197.13257	25.8
198.14040	3.5
199.11183	2.7
199.14841	19.5
201.12767	2.9
201.16385	2.8
203.14305	17.1
205.10155	5.8
206.10938	9.8
207.11737	22.5
207.13840	9.1
208.12488	9.0
209.13255	32.2
209.15050	1.7
210.14069	5.2
211.11205	3.6
211.14784	11.5
212.15556	1.9
213.12878	2.2
213.16455	4.4
215.08650	1.8
215.14351	5.0
217.10135	5.9
217.15886	9.9
218.10938	3.9
219.11649	11.8
220.12440	10.5
221.13275	20.1
221.15417	78.9
222.14075	4.9
223.14764	19.0
224.15598	3.1
225.12891	2.9
225.16435	7.3
227.14322	4.0
227.18044	2.7
229.10158	2.1
230.10886	1.9
231.11630	7.6
231.17451	3.6
232.12502	5.2
233.13264	15.6
233.15393	5.2
234.14081	6.0
235.14778	17.6
236.15424	2.3
237.12630	2.7
237.16333	9.1
237.54901	1.5
239.14339	3.2
239.17995	8.6
243.11617	3.3
244.12457	4.3
245.13135	11.3
246.13960	7.9
247.14853	11.7
247.16872	3.4
248.15692	2.9
249.16376	11.8
250.17191	2.7
251.17969	6.2
253.16072	1.7
253.19374	2.2
255.17522	1.9
257.13232	3.5
257.18988	6.9
258.13995	3.2
259.14780	5.7
260.15643	6.3
261.16397	10.1
262.17346	1.7
263.17932	8.5
265.16183	1.7
265.19528	8.1
269.18994	5.5
271.14856	2.5
271.20627	3.0
273.16370	8.3
275.17859	13.4
276.18637	2.7
277.19656	4.1
279.20932	2.6
281.19211	2.2
283.20544	16.4
285.16183	2.3
286.19290	2.5
287.17978	5.1
287.20474	3.0
288.18698	2.4
289.19638	5.4
291.21109	2.8
293.18927	2.7
295.20422	8.6
297.22198	6.3
300.20972	3.6
301.19510	6.2
309.22211	2.2
312.21094	1.9
317.22665	3.6
319.24057	2.1
327.21191	1.8
329.22678	4.0
331.24194	4.2
333.22321	3.4
335.23837	2.7
345.21909	1.9
347.23785	2.5
349.25299	8.5
357.25848	3.6
361.25348	3.6
365.24866	5.3
375.26770	7.5
403.30060	11.4
405.27838	1.9
485.34152	1.8
491.35095	3.9
502.82196	1.8
503.35202	5.9
509.33926	2.0
547.39484	5.6
565.40369	26.4
583.41455	98.4
614.82629	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
53.03945	3.7
55.05511	22.8
57.07072	11.0
59.04988	3.4
59.28640	2.1
65.03931	4.3
67.05505	28.2
69.03431	8.5
69.07061	23.8
70.18392	9.5
71.05000	3.4
73.53353	1.7
79.05486	30.1
79.05912	3.0
79.54959	1.8
81.07053	45.9
83.04978	12.9
83.08618	13.3
85.06550	8.0
91.05475	57.6
91.06009	3.7
93.07038	76.6
93.07629	3.7
93.55301	2.1
95.04969	18.8
95.08607	42.2
97.06526	12.9
97.10179	3.8
103.05455	4.6
105.07030	83.5
106.28779	1.9
107.04970	2.8
107.08589	68.0
107.09293	4.0
107.36383	1.7
109.06511	11.9
109.10155	34.6
111.08110	4.3
111.11731	3.2
113.09625	4.2
115.05458	5.7
115.53960	1.8
116.06230	2.7
117.07010	23.1
119.08577	100.0
121.06506	4.8
121.10144	72.2
122.07331	2.5
123.08040	16.8
123.11707	7.1
125.06015	3.9
125.09629	5.1
128.06206	15.7
129.06998	19.7
130.07800	7.8
131.08571	44.0
131.09521	3.1
132.09489	2.2
133.06578	2.1
133.10121	50.2
133.11082	3.1
135.08066	9.2
135.11697	22.5
137.09619	10.3
139.11186	5.0
141.06999	14.0
142.07770	27.2
143.08553	55.6
144.09358	10.3
144.18376	2.1
145.10114	65.7
145.11256	3.4
147.08011	10.2
147.11673	25.6
149.09627	12.9
149.13254	3.7
151.07523	9.2
151.11229	2.4
153.07024	5.8
153.09056	2.5
154.07814	6.3
155.08557	22.9
155.10637	3.4
156.09366	21.6
157.10123	64.8
158.10899	9.9
159.08073	4.2
159.11685	34.8
161.09654	5.7
161.13225	8.8
163.11205	6.5
165.07034	8.5
165.09134	15.0
166.07845	2.8
167.08540	10.4
167.10670	42.9
168.09348	10.3
169.10123	37.9
170.10881	11.5
171.11684	44.5
172.12491	2.5
173.09654	6.5
173.13272	32.2
175.11205	4.3
175.14801	16.7
177.12712	2.6
178.07687	2.4
179.08545	17.4
180.09393	7.3
181.10161	20.7
181.12245	5.6
182.10965	11.1
183.11684	34.4
184.12561	5.7
185.09654	2.3
185.13255	21.2
187.11232	5.0
187.14816	10.6
189.12762	9.2
191.08519	2.3
191.14294	10.5
192.09384	7.1
193.10086	18.5
194.10870	14.1
195.11690	28.7
196.12529	8.5
197.13269	31.7
198.14070	3.1
199.11234	2.3
199.14824	32.5
200.12024	2.4
201.12772	2.6
201.16441	4.5
203.08696	2.8
203.14407	8.0
205.10152	4.2
206.10970	8.6
207.11745	19.6
207.13855	7.1
208.12515	8.0
209.13286	30.9
209.15152	2.7
210.13977	4.6
211.11259	1.9
211.14775	15.2
213.16423	4.3
215.14384	8.7
216.09499	2.6
217.10213	5.3
217.15895	17.5
218.10986	4.3
219.11639	9.2
220.12598	6.2
221.13286	19.0
221.15431	32.9
222.14041	3.1
223.14804	18.6
224.15717	3.9
225.12904	3.0
225.16455	7.4
227.14406	2.5
227.17970	2.2
229.15877	2.9
230.10907	2.8
231.11536	10.0
232.12424	2.9
233.13275	11.2
233.15450	15.3
234.14052	4.3
235.14886	10.2
236.15587	2.2
237.16422	9.5
239.14336	3.0
239.17992	6.6
241.15933	2.6
241.19353	1.8
243.11694	3.9
243.17398	2.3
244.12636	3.2
245.13312	7.9
246.14166	6.5
247.14806	10.3
247.17030	1.9
248.15668	4.6
249.16438	11.9
250.17116	2.5
251.17976	9.7
253.19525	2.1
255.17566	2.6
257.13318	4.4
257.19009	5.7
258.14249	3.4
259.14877	7.0
260.15643	5.1
261.16418	8.4
262.17075	2.9
263.18060	8.3
265.19656	7.4
269.19089	6.7
271.14890	3.2
272.15668	3.3
273.16418	6.6
275.17786	11.2
277.19586	4.6
279.21036	2.1
281.19022	3.7
283.20520	13.0
284.15762	3.6
285.18784	4.2
287.17865	3.0
289.19672	6.0
291.20889	3.6
293.19049	4.0
295.20581	3.8
297.22183	2.2
299.20145	3.2
301.19476	2.6
305.57199	1.9
313.22241	2.5
315.20932	2.6
324.18527	2.2
329.22952	3.2
335.23956	2.8
343.23920	2.2
347.23700	3.1
349.25369	6.2
361.25333	2.9
375.26978	5.2
403.29745	2.8
443.29462	2.1
473.34381	2.4
491.35117	5.1
503.35275	2.3
527.82861	2.3
547.39429	3.7
565.40411	20.3
583.41461	75.5
584.42285	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	583.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95825	0.8
55.01858	4.1
55.05506	4.9
57.03422	1.7
57.07058	2.1
61.78968	0.8
67.05501	10.6
69.03417	1.2
69.07062	6.3
71.01350	21.3
71.04987	1.4
71.57994	1.5
71.96149	0.8
75.04472	5.3
79.05482	5.8
81.03387	1.8
81.07050	15.5
83.04983	1.4
83.08604	3.7
84.52309	0.9
85.02896	21.1
88.64713	0.8
91.05472	8.2
91.73621	0.8
93.07031	14.5
95.04976	2.0
95.08598	34.7
97.02949	1.3
97.10154	2.6
99.08171	1.0
101.02372	31.4
103.05541	1.0
105.07014	15.7
107.08587	21.9
109.06507	1.8
109.10146	16.8
111.08058	1.7
113.35609	0.9
117.07015	3.3
119.08568	26.8
121.06449	1.4
121.09307	1.8
121.10130	17.8
123.08064	6.0
123.11697	8.1
125.09608	1.5
127.03908	100.0
129.06999	1.6
131.08540	7.4
133.10117	15.0
135.11685	13.3
137.09647	1.3
137.13240	2.0
142.07750	1.9
143.08533	3.7
145.04944	34.1
145.10100	12.4
147.11678	13.4
149.09584	1.4
149.13246	7.6
151.11171	1.1
156.09337	1.0
157.10104	9.7
158.10992	0.9
159.11696	11.9
161.09537	1.2
161.13217	11.3
163.11163	1.8
163.14828	8.9
169.10106	1.2
170.10866	1.2
171.11682	6.7
173.13242	9.4
175.11209	1.0
175.14790	8.9
177.12651	1.2
177.16374	3.5
179.14394	1.5
183.11633	1.7
185.13243	4.1
187.14807	8.7
189.16351	14.4
191.14299	3.4
191.17938	16.0
193.15857	1.2
197.13165	1.6
199.14822	6.7
201.16336	8.0
203.14281	5.3
203.17947	17.3
205.15883	1.7
207.17380	7.8
211.14867	1.6
213.16359	9.3
215.14233	2.3
215.17865	4.5
217.15855	3.0
217.19502	3.0
219.17430	2.5
221.19052	1.3
223.14812	1.1
225.16446	1.1
227.17972	1.2
229.19534	2.5
231.17426	17.8
231.20984	1.5
233.19016	1.3
243.17281	1.1
245.19168	1.0
248.52864	1.0
255.21037	1.6
257.19193	1.2
257.22504	1.0
259.20551	1.6
267.21060	1.5
271.20761	1.1
281.22711	1.2
285.22195	1.8
290.58026	0.9
311.23486	1.0
393.35120	2.7
403.33545	3.8
405.10779	1.0
409.34662	5.3
411.36765	1.2
421.34634	18.1
439.35599	11.6
481.07935	0.9
583.30719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01870	4.9
55.05503	6.2
57.07072	1.7
67.05511	8.7
69.07066	8.7
69.55634	9.6
71.01355	20.0
71.04979	1.8
75.04477	5.4
79.05472	6.2
81.03409	1.3
81.07058	16.3
83.05020	1.2
83.08616	5.0
85.02897	16.5
85.32028	1.4
91.05460	10.2
93.07044	10.1
95.04939	3.1
95.08601	30.1
97.06516	2.1
97.10175	3.9
98.20809	1.4
99.04475	1.3
99.08120	1.6
101.02375	34.6
105.07021	16.8
107.04933	1.2
107.08588	20.6
108.89497	1.2
109.02860	1.7
109.06549	1.9
109.10154	15.2
111.08083	2.7
113.49689	1.1
117.06995	2.0
119.08573	24.8
121.10143	17.0
123.08079	5.3
123.11710	6.5
125.09605	1.6
127.03910	100.0
131.08543	9.4
133.10132	18.6
135.11668	12.9
137.13246	2.5
142.07721	2.7
142.70412	1.2
143.08589	5.4
145.04956	35.3
145.10118	12.5
147.11682	16.8
149.13258	8.4
151.11176	1.3
155.08525	2.0
156.09348	2.6
157.10130	9.6
159.11667	14.9
161.13255	9.6
162.97151	1.2
163.14824	9.1
169.10075	1.6
171.11740	5.4
173.13254	8.8
175.11147	1.6
175.14796	9.9
177.12744	2.2
177.16374	4.6
183.11638	1.2
184.12439	1.7
185.13268	4.0
187.14857	9.4
189.12770	1.4
189.16365	14.3
191.14317	3.1
191.17924	15.8
197.13225	1.9
199.14838	6.7
200.64349	1.2
201.16331	7.8
203.14261	5.7
203.17920	15.5
207.17400	8.0
208.06798	1.3
213.16455	6.1
215.17952	4.0
217.15898	2.5
217.19530	2.8
219.17444	2.3
227.18007	1.5
229.19502	2.4
231.17436	13.7
231.21095	1.8
259.20544	1.5
393.35083	2.5
403.33466	2.2
409.34552	5.9
411.36365	2.6
421.34540	18.0
439.35684	8.9
466.12943	1.3
586.98792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
51.39075	1.1
55.01858	3.6
55.05507	1.4
57.70007	1.1
65.03938	24.3
67.05499	6.8
67.19931	1.2
69.03419	1.7
69.07058	1.4
69.32552	6.3
69.32981	6.4
70.06587	1.9
71.01357	1.5
71.04974	1.2
79.05478	3.9
79.70729	1.3
81.03406	2.5
81.07045	2.7
82.04200	4.6
85.02892	5.4
91.05475	6.6
93.03387	4.0
93.07033	3.1
95.01325	3.8
95.04980	4.9
95.08587	3.8
97.02927	1.5
97.06536	2.4
101.02368	1.6
103.05485	1.8
105.03338	1.6
105.07021	5.1
107.04944	6.1
107.08584	3.7
108.02090	2.5
109.02846	1.8
109.06411	1.2
109.10168	1.9
110.03650	25.2
111.04434	35.8
111.05202	2.0
115.05425	1.7
117.06997	1.5
119.08562	6.0
121.02848	18.3
121.06493	2.9
121.10149	2.9
123.04414	1.9
123.11713	2.2
125.05988	25.7
125.06853	2.3
127.03909	2.2
129.07013	1.6
131.04948	2.8
131.08531	2.1
133.02797	2.4
133.06519	3.0
133.10178	1.9
135.04390	3.6
135.08075	2.0
135.11676	1.9
137.05949	10.3
138.03113	2.4
141.05478	1.3
143.08604	1.5
144.05666	2.0
145.04970	2.9
145.06503	2.5
145.10091	2.2
147.04393	4.1
149.05971	2.9
151.03891	39.5
151.04996	3.1
151.07507	1.8
153.05450	100.0
154.05713	1.6
158.45113	1.3
159.08064	4.5
159.11705	1.6
161.05974	6.4
162.06805	1.9
165.06998	2.5
167.07037	11.4
167.08351	2.1
173.05920	1.6
175.07524	4.6
177.05446	3.3
178.07770	1.7
179.08495	1.5
181.04958	2.9
181.06435	1.6
181.10069	1.5
184.07312	2.4
185.05949	1.8
187.07599	3.2
189.05453	3.1
189.06952	1.9
190.07809	1.5
191.08571	2.3
191.17931	1.5
194.07314	1.8
195.06462	2.9
195.08087	2.9
199.07512	2.2
205.08463	2.0
207.08072	2.4
208.08893	1.9
209.09698	2.1
210.06815	3.0
211.07539	2.8
216.07797	3.1
217.08597	2.2
218.07211	1.4
219.08037	5.3
219.83618	1.4
219.91602	1.5
220.08784	2.9
221.06013	2.1
221.09474	1.8
223.07501	5.3
224.08281	2.0
225.09146	3.6
226.06238	3.9
229.08586	2.3
231.08054	2.6
233.05933	2.0
235.07487	3.2
236.08357	3.4
237.09198	2.9
238.06169	3.2
238.09874	1.6
239.07016	7.6
239.10588	2.7
241.08493	1.8
247.07545	2.7
247.09697	13.8
249.09071	2.5
251.07132	2.5
251.10657	3.7
253.08563	15.6
254.09383	6.6
259.07571	1.5
261.09000	2.7
264.07822	2.9
264.11642	1.3
265.08612	5.4
267.10028	2.9
269.11743	5.3
277.08542	2.5
279.10181	3.6
281.08087	1.9
282.08859	3.7
283.09634	4.6
291.10004	1.6
294.08850	1.4
295.09555	2.4
297.11185	8.4
307.09576	8.8
308.10361	1.8
309.11258	3.1
319.09879	3.1
321.11148	2.3
323.13028	1.7
325.10687	56.4
326.11212	2.5
327.12411	2.3
329.13953	2.1
337.10657	1.8
339.12222	25.4
341.13983	2.0
351.12268	7.4
355.11633	2.5
357.08853	2.4
357.13269	46.7
360.49606	1.2
369.13333	5.2
370.14023	5.2
460.38947	1.4
583.26685	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	581.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01871	7.2
55.05514	41.8
57.07063	5.7
57.12296	3.9
65.03934	4.6
67.05500	60.6
67.44910	4.3
68.48592	5.3
69.03412	6.7
69.07076	32.5
71.04987	5.6
71.58282	5.1
77.81741	4.3
79.05492	48.3
81.07052	61.4
83.04981	15.7
83.08628	29.3
85.06540	9.1
91.05480	65.8
93.07045	62.1
95.04971	20.5
95.08612	69.0
97.06544	19.2
97.10150	14.6
103.05494	7.3
105.07033	83.4
107.04937	5.0
107.08591	55.2
109.06528	12.0
109.10155	34.6
109.55453	5.5
113.09653	8.3
115.05454	8.5
116.00894	4.7
117.07039	29.4
119.08591	72.7
121.10146	56.8
123.08081	14.1
123.11720	11.7
125.09624	12.4
128.06238	17.9
129.07019	34.9
130.07791	7.8
131.08563	51.8
133.10135	70.0
135.08073	10.3
135.11697	13.2
137.09624	6.4
139.11197	5.5
141.06989	10.5
142.07806	18.4
143.08565	51.2
145.10126	63.8
147.08080	6.7
147.11711	21.0
149.09589	13.9
149.13321	4.9
153.06982	8.4
155.08549	29.8
155.10609	6.5
156.09372	14.4
157.10129	64.8
158.10886	5.6
159.08046	8.3
159.11690	33.8
161.09587	8.5
161.13318	13.6
165.07010	7.6
167.08575	11.1
167.10728	19.0
168.09326	8.9
169.10129	33.7
170.10953	6.2
171.11661	41.5
172.12589	6.2
173.13255	32.7
175.14842	4.6
179.08566	16.2
180.09401	5.4
181.10120	17.1
181.12280	7.9
182.11087	5.7
183.11673	25.8
185.09584	7.5
185.13248	34.7
187.14841	16.3
191.14349	5.2
193.10110	10.9
194.10889	12.9
195.11703	21.3
195.13580	5.5
196.12413	8.2
197.13260	20.5
199.14807	20.6
201.16449	5.9
203.14377	4.8
205.10129	6.5
206.10861	7.1
207.11717	16.6
208.12413	8.7
209.13132	20.8
211.14836	16.0
213.16464	14.7
213.81764	4.5
215.14333	7.1
220.12537	8.0
221.13225	12.7
221.15436	19.8
223.14825	15.6
225.16388	9.8
227.17978	6.4
233.13322	10.6
233.15437	10.8
235.14862	15.0
239.17973	7.5
247.14807	11.1
247.17070	5.1
249.16399	7.7
260.15866	4.6
279.17291	4.4
295.20697	6.1
299.20398	5.2
355.26889	9.2
369.27487	5.9
383.29803	5.4
411.32468	6.2
447.33459	4.9
517.40125	7.3
549.42920	16.9
563.38367	10.7
581.38434	24.6
581.45306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.05504	16.2
57.07073	8.2
59.04981	4.2
65.03910	4.4
67.05499	32.5
69.03428	11.6
69.07065	15.2
71.58698	4.0
79.05480	27.4
81.07049	31.6
83.04992	8.0
83.08621	13.2
85.06527	4.0
90.78049	3.0
91.05471	45.8
93.07035	61.2
93.07623	3.5
94.81087	3.0
95.04959	16.0
95.08598	32.6
97.06543	10.3
103.05463	4.3
105.07021	69.1
105.07689	4.9
106.04753	3.0
107.04945	3.3
107.08574	49.9
108.80865	2.9
109.06529	11.4
109.10155	20.1
109.83275	2.9
111.08051	3.3
111.11696	2.9
113.09637	4.4
115.05450	4.8
117.07032	16.3
119.08569	63.9
119.09354	4.9
121.06508	9.3
121.10133	58.8
123.08045	22.9
123.11720	11.7
125.09647	4.5
128.06223	9.8
129.07011	13.5
130.07787	7.1
131.08575	35.5
133.06476	3.5
133.10115	52.3
135.08073	11.1
135.11685	15.5
137.09633	9.1
139.11128	3.3
141.07051	7.4
142.07730	16.4
143.08554	28.6
144.09361	8.7
145.10126	44.1
147.08028	21.5
147.11688	12.3
149.09575	23.1
151.07578	15.7
153.07030	4.1
154.07710	3.2
155.08577	13.0
155.10655	3.7
156.09351	16.5
157.10118	43.7
157.11298	3.5
158.10907	6.2
159.08076	12.5
159.11673	23.9
160.17905	2.9
161.09653	9.8
161.13286	10.9
163.11172	7.7
165.07001	7.9
165.09109	25.0
166.07750	3.0
167.08582	11.9
167.10666	44.6
168.09378	8.9
169.10115	27.0
170.10893	9.9
171.11693	22.4
173.09666	5.5
173.13226	25.4
175.14856	8.2
178.07826	3.2
179.08592	8.9
181.10095	17.2
181.12260	7.8
182.10928	7.1
183.11708	23.3
184.12473	4.1
185.09673	3.7
185.13205	20.9
187.11247	8.2
187.14886	10.9
189.12743	7.1
191.14331	5.3
192.09331	6.1
193.10213	15.0
194.10947	8.1
195.11742	18.5
196.12555	5.2
197.09630	3.5
197.13228	19.0
199.14870	11.8
201.12811	3.7
201.16476	3.8
203.14339	11.7
206.11044	8.7
207.11729	19.5
207.13797	9.7
209.13362	18.3
209.15114	4.0
211.11087	3.2
211.14783	14.8
213.12798	4.7
213.16338	5.0
215.14417	5.1
217.10179	4.1
217.22922	3.0
218.10876	5.0
219.11761	5.3
221.13254	11.7
221.15285	53.5
222.14087	3.4
223.14891	11.7
225.12764	3.6
225.16393	6.2
227.14322	3.4
231.11749	7.4
232.12521	5.8
233.13234	12.2
233.15417	19.2
235.14810	8.7
236.15489	3.7
237.12759	3.7
237.16566	5.4
239.14212	4.3
241.19426	3.9
243.11659	4.8
244.12669	4.4
245.13332	7.1
246.14082	6.5
247.14857	6.8
247.17079	4.8
249.16455	7.4
251.18047	5.7
257.13452	4.8
259.14780	7.3
261.16391	5.1
263.18027	5.3
267.17496	3.4
269.19077	3.8
270.13983	3.3
271.14746	4.8
272.15616	3.3
273.16135	4.8
275.17938	4.4
277.15939	3.8
277.19519	4.7
279.17639	4.0
285.16187	5.2
287.20288	6.4
289.19626	4.8
312.20740	7.1
315.21170	3.6
342.40387	3.8
373.25388	8.4
413.28638	4.7
505.03583	4.3
553.40833	8.6
563.38568	21.1
581.39917	100.0
581.49158	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	581.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95407	2.5
53.03945	3.0
53.61259	2.5
53.78064	2.5
55.01867	3.6
55.05509	11.5
57.03442	2.7
57.07080	6.1
61.02932	3.3
61.96136	3.3
67.05502	33.9
68.05819	3.8
69.07062	17.8
70.30257	9.8
71.01357	16.2
71.05000	3.9
74.27644	2.6
75.04485	5.1
79.05488	18.9
81.03391	4.1
81.07051	44.3
83.08611	8.3
85.02905	25.1
91.05466	22.5
93.07047	41.6
95.04987	5.1
95.08606	72.2
97.02921	2.9
97.10162	6.1
101.02369	26.0
105.07022	44.1
107.04933	3.4
107.08585	62.8
108.08906	2.5
109.02869	4.2
109.06538	4.9
109.10160	47.1
110.10487	7.7
111.08084	3.9
116.89639	2.6
117.07034	7.7
117.63848	2.4
119.08572	59.5
121.10143	39.4
122.53007	2.8
123.11691	14.0
125.05986	3.3
127.03910	100.0
129.07048	3.4
130.07860	2.7
131.08571	26.8
133.10112	36.1
135.11696	25.5
137.13210	6.9
139.07518	4.4
142.07695	2.8
143.08534	9.3
144.09419	2.6
145.04955	36.2
145.10107	68.2
147.11678	30.3
149.13220	14.3
153.09181	2.8
157.10149	9.2
159.11697	60.3
161.13261	26.6
163.11147	6.1
163.14825	11.3
171.11708	10.7
173.11790	4.4
173.13245	33.4
175.14844	18.4
177.16393	6.9
185.13185	4.0
187.14810	27.4
189.12743	3.8
189.16367	77.3
191.10696	6.5
191.17937	80.4
197.13264	4.1
199.14850	5.8
201.16370	94.9
203.17970	26.5
205.12259	4.7
207.13771	6.7
211.14900	5.5
213.16351	6.0
215.17934	7.6
217.12207	2.9
217.19492	7.1
219.17537	2.6
221.15300	4.3
229.14346	9.5
229.19505	8.5
230.14598	6.8
231.13881	3.5
233.15384	17.3
247.16922	67.4
259.16852	3.0
354.13928	3.4
363.16666	2.8
383.24506	2.9
384.24680	13.4
391.33469	3.9
414.18234	2.9
437.34225	40.5
581.38385	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	580.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.1
57.03429	13.1
58.88970	7.0
59.91080	6.6
63.85677	6.9
67.05503	45.1
69.07082	10.8
69.34637	52.7
69.35043	16.6
70.68616	6.7
77.97271	7.1
79.05473	37.5
81.07050	68.5
83.08596	15.1
88.37803	6.7
91.05488	17.8
91.93934	7.0
93.07038	30.2
95.08588	33.1
97.06560	8.3
105.07010	23.7
107.08578	18.1
109.10168	11.4
119.08573	15.2
121.10109	15.6
123.11700	18.8
147.11681	52.4
165.12833	11.9
229.14316	9.8
245.33020	8.6
260.43381	8.0
261.22174	14.7
267.15869	40.4
285.16937	42.6
335.25830	100.0
429.45880	8.3
545.38385	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01871	8.2
55.05505	17.6
67.05509	49.0
69.03436	7.6
69.07067	17.5
70.06574	5.6
71.01352	14.1
71.57857	10.4
79.05482	21.9
81.03413	9.1
81.07050	37.3
83.04985	6.7
83.08603	16.5
85.02927	27.2
90.11849	4.8
91.05450	30.5
93.07035	38.0
95.05024	7.9
95.08599	63.6
97.02890	10.6
97.10169	8.3
101.02365	25.0
103.03873	5.7
105.07030	39.5
107.04910	7.2
107.08583	61.2
109.02904	9.4
109.10143	43.3
112.42641	6.8
117.07038	12.8
119.08601	50.9
121.10136	47.0
123.11690	7.2
127.03915	100.0
131.08556	17.8
133.10132	28.3
134.85222	5.6
135.11670	32.6
139.07492	6.1
143.08559	7.3
145.04945	25.8
145.10132	69.2
147.11696	26.4
149.13257	7.8
151.10831	5.1
155.96402	5.7
157.10138	11.3
159.11679	53.9
161.13261	24.1
163.14813	12.9
167.07088	6.9
171.11707	12.7
173.11940	6.7
173.13274	26.5
175.14856	16.4
177.16335	7.0
180.55141	6.2
185.13150	8.5
187.14873	30.7
189.16370	77.8
191.17912	71.6
201.16380	88.9
203.17969	15.0
215.17961	10.9
217.19563	8.9
221.53691	6.0
229.14272	14.1
229.19370	7.7
233.15486	10.4
247.16936	54.7
384.24911	8.3
393.04443	6.1
437.34329	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.0
56.90622	4.1
57.03429	15.4
67.05501	60.4
69.07075	26.0
71.04995	7.5
79.05489	42.9
81.07053	100.0
83.04949	6.2
83.08603	9.2
85.06554	6.9
86.27935	4.2
91.05473	32.6
93.07037	40.3
95.04945	7.0
95.08590	37.3
98.20725	10.4
105.07019	41.5
107.08636	21.9
109.06545	4.6
109.10159	8.5
117.07070	5.9
119.08580	34.0
121.10162	31.9
122.92310	4.3
123.08068	5.5
123.11694	25.5
131.08580	7.1
133.10126	9.9
147.11681	53.2
159.11682	6.2
165.12746	21.8
173.13255	5.2
183.13812	5.2
187.72710	4.3
187.74442	5.1
229.14275	6.3
229.73250	6.2
243.21179	5.0
261.22083	21.7
267.15906	75.4
279.22934	6.4
285.17001	78.7
285.19974	3.3
335.25824	87.5
545.38367	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
52.33094	1.6
52.66346	1.6
53.03932	5.2
55.01873	10.2
55.05266	2.0
55.05505	25.1
57.03442	9.2
57.07075	2.4
61.98677	1.6
65.03932	5.6
67.05502	100.0
69.03436	2.2
69.07063	16.0
71.04986	4.9
71.58958	3.1
72.11269	1.7
79.05492	56.2
81.03408	7.3
81.07053	93.7
83.04976	22.8
83.08614	12.3
85.06541	4.9
91.05473	37.7
92.72273	1.8
93.06478	3.2
93.07043	60.3
93.07635	3.0
95.04954	13.2
95.08603	62.7
97.06520	14.2
97.10152	6.6
99.04449	4.7
105.07022	21.7
107.04942	20.0
107.08584	34.7
107.67459	1.5
109.06538	4.2
109.10149	32.4
111.04434	19.9
111.08079	5.5
117.07012	15.0
119.08574	23.8
119.12199	1.7
121.06499	3.8
121.10132	37.9
123.08071	4.2
123.11694	14.2
125.09631	2.7
129.07005	6.3
130.07848	1.8
131.08559	18.2
133.10118	12.9
135.08029	3.0
135.11682	29.2
137.09573	1.8
137.13229	5.3
143.08525	4.0
143.84198	1.6
145.06497	3.9
145.10101	29.7
147.08025	2.8
147.11668	15.6
149.09595	4.8
149.13254	8.0
153.12714	10.4
155.08568	7.6
157.10103	3.4
159.11690	7.8
161.13266	6.3
163.11179	33.2
163.14825	4.0
169.10110	1.9
171.11598	2.1
173.09610	16.1
173.13266	6.9
175.14815	4.1
181.12253	13.9
187.14778	4.2
191.10661	19.7
193.12239	2.6
197.13210	1.6
209.11716	7.5
212.79156	1.8
227.12785	20.5
229.14340	1.7
243.21095	6.3
261.22137	27.5
265.14276	17.9
277.21527	4.3
279.23248	8.2
283.15363	32.3
301.16397	24.0
317.24796	7.5
333.24731	2.6
335.25739	28.3
337.27609	2.3
351.25540	2.7
353.26752	4.8
402.42279	2.1
409.51169	1.7
423.32492	1.9
433.31107	3.5
451.31985	6.7
469.33218	5.4
487.34158	4.8
515.37079	7.2
517.38336	2.3
525.36139	4.2
543.37189	12.8
561.37878	14.2
579.38763	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	579.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01868	7.5
55.05510	24.2
56.01442	2.6
57.03438	13.6
57.07078	4.7
58.11961	2.3
65.03934	5.9
67.05502	100.0
69.07060	16.9
71.04976	4.8
71.08636	3.1
71.58584	3.3
71.58984	4.2
79.05489	56.6
81.03409	8.4
81.07054	95.2
81.16451	2.7
83.04982	13.8
83.08616	15.4
85.02863	2.5
85.06541	8.1
91.05465	33.9
92.34848	2.6
93.07035	68.4
93.85010	2.9
95.04950	14.0
95.08057	5.4
95.08607	61.8
97.06524	11.3
97.10150	7.4
99.04429	3.1
105.07034	23.6
106.08607	2.8
107.04971	20.9
107.08589	44.2
109.06499	6.5
109.10152	38.6
111.04462	15.9
111.08070	8.6
117.07003	14.9
119.08572	26.8
121.06453	3.5
121.10150	41.5
123.08096	3.2
123.11737	14.2
125.09618	4.6
128.06174	2.8
129.06950	4.7
131.08560	17.4
133.10112	17.8
135.11702	26.8
137.09605	3.3
137.13249	5.9
143.08617	3.4
145.06461	6.1
145.10127	29.0
147.11684	13.2
149.09653	7.9
149.13249	9.7
153.12758	7.1
155.08534	6.8
157.10158	3.9
159.11697	9.3
161.13225	8.2
163.11188	27.3
171.11662	4.7
173.09624	11.9
173.11765	4.2
173.13272	10.9
175.14879	5.0
181.12222	12.6
187.14819	4.5
191.10722	19.6
209.11792	3.3
227.12738	20.2
243.21169	3.9
246.96031	2.5
261.22113	23.4
265.14420	14.5
267.16006	4.3
277.21622	3.6
279.23099	7.2
283.15378	32.3
301.16425	11.0
317.24771	7.9
321.56601	2.7
335.25760	23.9
461.58032	2.8
469.33029	7.3
489.35614	7.3
515.36914	4.5
525.34894	3.5
543.36945	17.7
557.96649	2.9
561.37396	12.1
579.38837	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	579.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01868	6.4
55.05509	24.4
57.03424	11.5
57.07074	4.4
57.94814	2.7
65.03925	5.0
67.05499	100.0
69.03429	5.0
69.07070	19.8
71.04979	3.9
71.58247	6.2
71.58624	3.2
72.46555	3.2
74.01102	2.7
79.05077	4.0
79.05494	51.9
81.03418	14.5
81.06584	5.2
81.07056	88.8
83.04965	10.7
83.08622	14.9
85.02896	4.6
85.06519	3.9
89.98872	2.6
91.05466	33.8
93.07037	57.8
95.04957	11.5
95.08606	63.3
97.02872	4.1
97.06509	9.1
97.10155	9.8
98.97864	4.3
98.98461	51.8
105.02310	2.9
105.07027	25.7
107.04901	7.3
107.08595	34.8
109.06534	4.7
109.10151	41.4
111.04430	8.0
111.08053	9.8
117.07006	12.5
119.08589	28.6
121.06556	4.2
121.10126	40.0
123.08065	4.8
123.11684	15.8
125.09638	8.4
129.07004	6.5
131.08551	16.8
133.10156	14.6
135.11711	22.7
137.09599	3.8
137.13290	5.5
139.11183	3.4
143.08565	3.5
145.10080	17.7
147.08029	4.5
147.11661	11.5
149.09619	5.2
149.13219	8.8
155.01036	54.8
155.08463	3.4
157.10133	4.4
159.11688	9.9
161.13264	11.0
163.11194	11.3
163.14806	6.3
165.12750	3.2
171.11726	4.0
173.09541	6.4
173.13281	7.7
175.14784	4.6
181.12346	3.4
183.11676	3.9
191.10725	7.6
227.12778	8.7
243.21109	7.0
245.13722	2.7
245.22772	4.9
261.22168	27.5
263.23642	14.4
265.14316	7.1
283.15430	10.6
301.16483	8.5
317.06342	7.7
317.24835	4.8
335.25696	14.3
337.27383	23.2
353.26895	7.0
469.33072	5.3
489.35748	5.6
515.37280	3.5
543.36700	13.1
561.38049	13.7
579.35938	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	579.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01868	6.4
55.05509	24.4
57.03424	11.5
57.07074	4.4
57.94814	2.7
65.03925	5.0
67.05499	100.0
69.03429	5.0
69.07070	19.8
71.04979	3.9
71.58247	6.2
71.58624	3.2
72.46555	3.2
74.01102	2.7
79.05077	4.0
79.05494	51.9
81.03418	14.5
81.06584	5.2
81.07056	88.8
83.04965	10.7
83.08622	14.9
85.02896	4.6
85.06519	3.9
89.98872	2.6
91.05466	33.8
93.07037	57.8
95.04957	11.5
95.08606	63.3
97.02872	4.1
97.06509	9.1
97.10155	9.8
98.97864	4.3
98.98461	51.8
105.02310	2.9
105.07027	25.7
107.04901	7.3
107.08595	34.8
109.06534	4.7
109.10151	41.4
111.04430	8.0
111.08053	9.8
117.07006	12.5
119.08589	28.6
121.06556	4.2
121.10126	40.0
123.08065	4.8
123.11684	15.8
125.09638	8.4
129.07004	6.5
131.08551	16.8
133.10156	14.6
135.11711	22.7
137.09599	3.8
137.13290	5.5
139.11183	3.4
143.08565	3.5
145.10080	17.7
147.08029	4.5
147.11661	11.5
149.09619	5.2
149.13219	8.8
155.01036	54.8
155.08463	3.4
157.10133	4.4
159.11688	9.9
161.13264	11.0
163.11194	11.3
163.14806	6.3
165.12750	3.2
171.11726	4.0
173.09541	6.4
173.13281	7.7
175.14784	4.6
181.12346	3.4
183.11676	3.9
191.10725	7.6
227.12778	8.7
243.21109	7.0
245.13722	2.7
245.22772	4.9
261.22168	27.5
263.23642	14.4
265.14316	7.1
283.15430	10.6
301.16483	8.5
317.06342	7.7
317.24835	4.8
335.25696	14.3
337.27383	23.2
353.26895	7.0
469.33072	5.3
489.35748	5.6
515.37280	3.5
543.36700	13.1
561.38049	13.7
579.35938	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
54.87284	1.3
55.01856	4.0
55.05503	11.6
57.03420	5.1
57.07052	4.5
62.22741	1.2
64.80921	1.3
67.05498	72.3
69.03422	3.5
69.07063	11.8
69.94447	5.9
69.94859	2.7
71.04988	2.4
71.08605	1.6
73.02912	3.1
75.04489	1.6
79.05487	38.8
81.03394	6.4
81.07050	74.5
83.04964	2.8
83.08612	6.6
85.02900	2.8
85.06516	2.8
91.05471	22.3
93.07036	47.9
93.58618	1.5
95.04953	4.2
95.08597	56.3
97.02837	2.1
97.06501	2.4
97.10155	2.0
99.04417	2.6
99.08057	2.9
105.07036	16.4
107.08579	34.1
109.02876	9.2
109.06508	2.7
109.09463	2.6
109.10157	30.4
110.03632	2.7
111.04420	5.5
117.06986	10.6
119.08575	16.3
121.10131	26.6
123.08062	1.7
123.11682	18.3
126.56614	1.3
127.03910	5.4
127.11227	1.6
131.08543	18.3
133.10117	14.7
135.11681	25.9
137.13222	6.1
139.11150	3.6
143.08640	2.0
145.10109	15.1
147.11693	12.3
149.13245	18.0
151.11188	1.9
151.14809	2.7
159.11665	14.1
161.13260	6.9
163.14832	12.7
165.12737	3.0
171.11658	2.0
173.13255	14.9
175.14748	1.9
177.12718	1.4
177.16344	4.1
179.14308	2.4
185.13136	1.6
187.14813	7.7
191.00095	4.0
191.51765	1.2
192.24106	1.4
197.13266	1.5
201.16353	3.5
214.87653	1.2
233.22586	5.1
243.21078	24.0
245.13812	1.7
261.22107	100.0
262.22433	1.7
263.23596	3.0
277.21503	1.8
279.23141	5.6
303.23111	1.9
335.25851	17.7
353.26843	63.1
377.26376	2.0
385.38800	1.4
443.28091	2.3
451.21304	3.4
516.76190	1.7
561.26807	4.1
579.36017	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	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09353	2.2
53.03935	3.6
55.01875	5.9
55.05512	18.5
57.03435	6.9
57.07062	5.7
65.03928	2.6
67.05502	90.6
67.14837	3.1
69.03436	4.7
69.07057	19.5
69.60134	4.2
69.60545	12.8
71.04996	3.4
71.08633	3.5
73.02911	3.8
75.23729	2.4
75.24178	2.3
79.05484	50.5
79.05910	3.8
81.03419	8.1
81.07054	90.2
83.04975	4.8
83.08617	11.4
85.02901	2.9
85.06560	3.0
90.04597	2.4
91.05466	32.5
93.07039	63.7
95.04957	9.1
95.08600	66.6
95.09169	4.4
97.02920	3.4
97.06538	8.1
97.10163	5.3
98.98460	25.6
99.04473	2.5
99.08073	5.5
105.07027	22.9
107.08590	44.3
109.02874	11.9
109.06515	4.4
109.10153	48.1
110.03669	3.0
111.04403	3.4
111.08019	3.1
113.09670	3.2
115.05478	2.1
117.07024	10.4
119.08582	26.6
121.10140	33.3
123.08089	4.0
123.11691	16.1
125.09628	4.5
127.03928	2.6
129.06949	2.7
131.08554	26.4
133.10136	22.3
135.11676	23.9
137.13274	7.2
139.11172	3.0
143.08508	3.4
145.10126	24.4
147.11707	15.0
149.09589	2.4
149.13264	18.6
151.11171	2.5
151.14821	4.2
153.12752	2.3
155.01062	24.4
159.11665	18.1
161.13235	11.5
163.14784	11.9
165.12720	3.8
167.14243	2.6
171.11659	3.2
173.13245	20.1
175.14824	5.6
177.16328	4.2
179.08640	3.3
187.14830	9.4
191.00237	3.1
191.14314	2.6
196.44174	2.3
201.16432	4.9
205.15933	3.1
230.21590	2.2
233.22702	2.8
243.21103	25.1
245.22626	5.4
252.86380	2.3
261.22125	100.0
263.23749	7.3
303.23370	3.9
335.25769	14.4
337.27454	14.1
353.26898	55.5
451.21268	3.9
529.16205	2.5
561.27679	2.9
579.35193	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
53.10147	1.8
55.01867	4.9
55.05505	15.7
57.03429	5.5
57.07074	3.5
59.67931	1.6
65.03930	4.8
67.05504	70.9
69.03418	4.2
69.07059	14.7
70.07379	2.6
71.04994	2.4
71.57455	2.0
73.02906	2.8
79.05484	38.7
81.03403	6.2
81.07050	71.8
82.07379	4.1
83.04996	3.2
83.08613	6.2
85.02917	4.6
85.06531	2.8
91.05466	26.0
93.07043	49.5
95.04965	6.8
95.08602	57.9
97.02850	3.3
97.06532	5.8
97.10173	2.8
98.98435	2.7
99.04458	3.3
105.07015	21.8
106.07346	2.8
107.08591	35.0
108.08920	1.9
109.02888	9.4
109.06535	1.8
109.10152	32.3
110.03633	2.6
111.04428	3.8
117.07014	8.8
119.08588	19.6
120.08892	2.0
121.10134	26.5
123.11710	16.0
124.12022	2.0
127.03876	4.3
129.06993	1.9
131.08566	22.6
133.10133	16.0
135.11682	27.5
137.09610	2.4
137.13245	5.9
138.71210	1.8
143.08530	3.0
145.10110	15.0
147.11691	10.6
149.09590	2.6
149.13242	15.9
151.14812	3.3
159.11676	15.1
161.13268	7.5
163.11192	1.7
163.14853	11.7
171.11664	2.4
173.13251	14.7
175.14763	3.4
177.16373	3.9
179.14328	2.0
187.14743	8.1
191.00101	4.7
191.14310	2.1
201.16312	2.5
233.22559	2.9
243.21086	24.2
261.22125	100.0
262.22211	2.0
268.16000	2.2
275.19992	3.4
276.20334	4.1
277.20825	2.7
279.23242	6.2
281.12320	1.7
335.25833	20.8
349.08957	2.0
353.26892	60.5
450.97885	2.0
549.54388	2.4
561.27734	3.4
561.37146	2.7
579.35046	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.18524	0.4
53.03933	0.7
55.01861	0.5
63.15974	0.4
65.03914	1.4
69.03414	2.3
69.85864	2.1
70.06573	0.5
71.04987	2.2
77.46584	0.4
78.04694	1.9
79.05473	1.8
81.03401	1.0
82.04170	0.6
83.04979	0.4
85.02905	4.4
87.04427	0.6
91.05454	1.1
93.03306	0.5
95.04958	1.1
95.46243	0.4
97.02859	1.1
98.21428	0.5
103.05447	1.5
106.04157	1.1
107.04934	1.0
111.04441	0.9
115.05454	3.2
117.06374	0.4
117.07032	5.6
121.02775	0.6
123.04419	6.3
124.05179	2.1
125.64120	0.4
127.05421	1.0
129.05458	0.5
137.05865	0.7
144.05692	0.5
145.06483	11.4
147.07999	0.8
151.03867	1.3
152.04655	1.9
155.06024	2.5
161.05980	0.6
167.07033	100.0
168.07350	1.0
171.06544	1.2
173.05981	20.2
175.07600	0.8
181.04947	23.0
191.06941	0.5
201.05573	0.5
205.08556	4.0
212.06758	0.5
233.08052	7.9
235.07454	0.8
235.09610	5.3
271.06024	1.6
287.05508	1.9
329.06528	1.3
331.08426	0.6
387.00507	0.5
387.14377	21.2
397.09061	0.6
417.15430	15.0
579.20709	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2067
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	0.8
55.01857	0.9
61.02893	0.8
65.03922	1.2
67.05489	0.6
69.03401	1.2
69.71921	1.8
70.06592	2.8
71.04990	0.7
71.27229	0.3
78.04704	1.9
79.05461	1.3
81.03396	1.0
81.07050	0.4
82.04167	0.4
84.08096	0.4
85.02888	3.1
86.09683	0.9
91.05462	1.4
93.03378	0.6
95.04958	1.8
95.08572	0.4
96.05722	0.4
97.02873	1.2
99.04458	0.4
103.05428	1.0
105.04547	0.4
106.04147	1.2
107.04941	1.4
109.02870	0.4
110.03642	1.0
111.04431	0.6
115.05446	3.4
116.07029	0.5
117.07004	6.6
119.08566	0.4
120.08086	0.7
121.10070	0.3
123.04420	5.7
124.05188	2.0
125.05995	0.9
127.03824	0.5
127.05356	0.6
131.04881	0.4
134.03639	0.5
135.04449	0.5
136.07550	0.6
137.05925	0.7
142.02599	0.6
145.06473	10.5
147.04436	0.4
147.07982	0.8
148.07561	0.7
151.03897	1.0
152.04677	1.5
155.06017	2.5
161.05978	0.6
167.07022	100.0
168.07368	1.5
171.06511	1.5
172.75264	0.3
173.05972	18.6
175.07501	0.7
181.04938	23.4
183.14859	0.4
190.06274	0.5
191.07034	0.4
194.86357	0.4
201.05472	0.7
205.08557	3.4
233.08044	5.8
235.09604	4.7
271.05951	6.4
287.05505	0.6
296.28558	0.4
331.08032	0.5
387.14346	20.9
388.14941	0.8
417.15411	14.6
418.15643	0.6
526.33862	0.4
549.96924	0.3
555.46680	0.4
579.20636	39.3
580.20782	1.9
588.97687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01860	10.1
57.03418	6.5
61.60321	2.8
65.03964	4.6
66.79855	3.3
67.05473	5.7
67.76484	2.5
68.99799	4.9
69.03405	5.1
69.90231	19.9
73.02916	3.8
74.02429	10.5
74.68483	2.8
75.91660	2.7
79.05476	6.1
81.03410	46.3
81.07063	3.1
83.08618	8.6
85.02885	16.0
87.05563	19.8
91.05463	10.2
93.03403	7.9
95.04945	20.2
97.02889	12.3
103.03925	5.4
103.05472	3.2
105.03394	4.2
105.07022	6.8
107.04942	33.9
109.02866	15.0
109.06534	3.3
111.00772	3.3
111.04428	6.2
111.08052	3.1
117.07002	5.4
119.04925	15.8
119.08588	6.8
120.08151	3.9
121.02867	25.5
121.06512	11.4
123.04420	42.9
127.03900	64.1
129.06981	6.2
131.04922	10.6
131.08607	3.9
132.10783	2.7
133.02826	3.1
133.06071	69.0
135.04410	46.6
137.02356	6.2
137.05972	5.5
139.03893	39.3
141.05516	3.3
145.06487	8.9
147.04427	35.9
147.11627	3.2
149.02328	6.4
149.05939	7.0
151.03886	10.2
153.01793	4.7
159.04445	15.3
161.02312	3.5
161.05956	12.7
163.03908	34.8
165.01811	8.0
165.05466	7.4
167.03412	3.8
173.02335	3.3
173.06001	20.4
175.03882	6.6
175.07544	6.4
175.11195	5.5
177.01817	10.4
177.05472	11.0
179.03336	6.0
183.02963	4.0
185.05933	6.1
187.03928	17.2
187.07558	4.2
189.01871	16.6
189.05438	6.9
191.03366	21.9
193.04907	5.1
193.12222	28.1
195.02884	40.0
197.05983	5.6
201.01859	5.4
201.05464	26.8
203.03387	18.1
203.07024	7.0
205.04944	11.3
207.02888	25.5
209.04436	4.4
211.03816	3.5
213.05400	4.3
215.03278	17.9
217.04947	5.2
219.02864	77.5
221.00803	5.3
221.04404	11.4
223.02289	11.2
225.03882	18.2
227.03415	9.9
229.04935	28.0
231.02896	44.3
231.06499	6.4
233.04448	29.2
237.03888	4.8
241.05031	4.0
243.02878	34.9
243.05241	3.3
243.06531	7.0
245.04480	15.9
247.06033	16.1
249.03972	33.5
251.05508	4.0
253.04930	5.5
255.02916	8.8
257.04456	30.5
258.52109	3.0
259.02310	6.5
259.06024	9.3
261.03931	100.0
267.15823	16.0
269.04477	10.3
271.06030	22.1
273.03940	36.4
275.05444	15.4
279.04865	3.8
281.04407	6.8
283.05875	7.0
285.03891	59.6
285.16864	18.1
287.05457	25.6
289.07089	8.7
291.04959	25.9
291.08441	6.9
297.03860	19.8
297.07553	15.0
299.05475	15.8
301.07065	9.1
303.04999	29.0
309.07672	8.1
309.16940	6.1
313.06876	5.1
315.04929	11.4
317.97253	3.5
321.06036	22.7
327.04965	51.0
327.08536	12.0
339.08356	30.8
345.05923	15.7
347.78931	3.1
351.08643	23.2
357.05957	9.8
363.06976	44.4
369.05878	6.7
375.07166	5.3
381.09738	32.8
387.06970	13.1
393.09470	29.7
399.10800	3.3
405.08548	38.2
409.09335	16.1
411.10849	14.9
417.10568	6.3
423.09738	20.0
427.10135	7.2
429.11765	24.2
441.10687	30.6
447.10733	29.0
459.12997	23.6
465.11639	9.1
477.11575	9.4
483.12891	11.8
495.12555	14.0
507.12604	8.9
525.13763	7.5
543.15002	9.2
595.60303	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	579.1703
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03418	1.2
59.63430	0.3
68.99762	0.4
69.34388	2.6
70.43766	0.3
71.04602	0.3
71.04990	6.7
73.02888	0.4
73.39606	0.3
85.02897	7.0
85.07657	0.5
86.09682	0.4
88.65115	0.3
91.05473	0.9
111.04462	0.4
119.04961	0.5
126.10281	0.6
129.05487	1.6
145.02811	0.8
145.06458	0.5
149.02332	1.3
153.01828	4.3
159.04503	0.3
165.01802	0.4
167.07022	3.2
169.06488	0.7
173.06003	0.7
181.04962	0.7
197.05974	0.9
206.44209	0.3
215.07024	4.3
225.05518	0.3
230.73561	0.3
243.06499	2.8
253.04893	1.6
271.05991	100.0
272.06305	1.7
387.14328	0.7
417.15680	0.3
433.11234	5.5
453.34375	0.7
579.20587	1.5
579.28149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
55.01869	2.2
58.40138	0.8
67.05479	1.4
67.20018	1.1
68.99788	5.8
69.03413	1.6
71.14738	2.6
74.02418	1.0
79.05474	1.0
81.03430	5.9
81.59972	1.0
85.02888	1.0
87.05586	1.1
87.38828	1.0
91.05476	2.1
95.04956	4.1
99.04438	1.7
105.03358	2.1
105.07007	1.1
107.04964	3.5
109.02870	3.8
111.00815	2.6
111.04452	4.9
115.05457	1.4
119.04927	3.1
121.02843	2.6
123.04424	66.0
127.03910	100.0
129.07008	1.0
131.04901	1.8
133.06091	6.9
135.04407	32.7
137.02318	6.8
139.03894	73.4
143.04887	1.1
147.04408	10.5
149.02361	5.9
149.06003	1.9
151.03888	12.9
157.06522	1.1
157.71043	1.0
159.04391	2.3
161.05972	4.5
162.69601	0.9
163.03894	42.7
165.05461	8.2
167.03394	10.0
169.06476	2.2
173.06017	4.5
175.03934	6.0
177.05470	5.9
179.03320	6.0
181.04968	1.1
181.06468	1.8
187.03831	7.4
189.05453	4.2
191.03365	15.1
193.04910	5.7
193.12314	2.3
197.05962	3.9
201.05518	8.2
203.03421	14.2
203.07074	2.4
204.03543	1.1
205.05003	4.4
207.06525	2.2
209.15364	1.4
213.05408	2.7
215.03400	2.4
215.07069	1.9
217.04865	1.6
219.06433	1.4
223.02374	1.3
225.05495	1.5
229.04939	11.1
231.06480	2.0
233.04402	6.2
241.04893	1.6
243.06606	4.2
245.04431	9.4
246.05046	1.4
247.06032	28.0
251.05540	3.0
253.04915	1.3
255.06454	2.8
257.04440	15.5
258.05130	1.7
259.05969	13.1
267.15652	1.3
269.04459	2.7
271.05984	20.6
273.07571	2.0
275.05493	22.6
283.05960	9.9
285.07477	1.5
287.05484	34.5
289.07053	12.2
291.08603	9.8
299.05554	5.8
301.07065	19.1
303.08554	3.2
315.08829	1.3
409.09167	32.6
411.10669	1.9
421.09082	2.7
427.10208	8.1
435.10800	1.8
439.10440	1.1
466.23181	1.2
475.24750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1341
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.64268	0.2
53.03925	0.3
55.01861	0.4
56.05024	0.3
57.03424	0.7
69.03413	0.9
70.06584	0.4
71.04977	0.3
79.05489	0.3
81.03398	1.0
81.07036	0.5
85.02908	1.3
87.00801	0.4
91.05456	0.3
93.07044	0.3
96.87680	0.2
97.02880	0.8
97.52520	0.3
97.88557	0.2
98.21448	0.5
109.02864	0.5
111.04423	1.0
121.02864	0.3
127.03891	0.6
135.04381	1.0
137.05858	0.3
139.03914	1.2
149.02138	0.2
150.03101	1.0
151.03905	0.8
152.01068	0.5
159.02911	0.5
164.04709	0.5
167.03395	8.4
167.07050	1.8
169.01343	0.3
172.05144	0.3
173.06000	0.5
177.05473	0.6
179.03340	0.8
181.05013	0.4
183.04425	0.3
184.03677	0.6
184.05186	0.2
191.03377	2.7
193.04985	0.3
194.02094	0.4
200.04639	0.7
205.04895	0.7
211.03844	0.4
212.04764	0.4
215.06964	0.6
216.79794	0.2
217.04990	1.4
218.05730	0.9
218.87805	0.3
219.06448	2.1
223.06020	0.7
228.04152	3.2
233.08124	0.2
239.03290	0.3
240.04202	0.2
242.05655	1.2
243.06497	7.7
245.04436	1.0
246.05286	0.4
247.06007	0.7
255.02739	0.3
256.03625	1.4
257.08057	0.9
270.05212	0.8
271.03030	0.5
271.06000	9.7
272.06567	0.3
273.03955	0.3
275.09167	0.7
283.02563	0.3
284.03152	2.9
284.18375	0.3
285.07596	1.6
287.05368	0.3
288.06390	0.3
298.04666	1.4
299.05478	9.5
303.08527	0.4
313.07043	0.9
316.05798	4.3
329.79803	0.2
331.08093	100.0
332.08429	2.4
355.13025	0.3
496.57123	0.3
579.20044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.74135	0.6
53.87111	0.7
55.01863	1.2
55.05499	1.2
57.03426	1.0
57.07059	0.8
58.99568	1.4
61.02916	0.8
67.05493	2.4
69.03426	46.1
69.07047	2.6
71.04982	1.0
71.14202	1.8
72.85432	0.7
73.02888	0.9
76.02229	4.1
79.05486	1.8
80.95866	0.7
81.03419	5.2
81.07044	3.5
83.04973	1.8
85.02433	0.9
85.02904	12.2
85.06531	1.7
85.74760	0.8
86.09718	0.8
87.00818	3.9
91.05456	1.8
93.07023	2.8
95.08601	6.1
97.02888	4.2
97.06519	2.8
99.04451	2.1
105.01852	3.1
105.07021	4.0
107.08587	10.1
109.02872	4.7
109.06498	4.0
109.10165	2.0
111.08067	2.3
119.08551	2.8
121.06480	1.5
121.10134	11.6
122.02728	11.7
123.08018	2.4
123.11711	7.1
125.09621	13.8
127.03927	8.1
131.08556	4.8
133.10091	3.9
135.08061	9.8
135.11661	4.1
137.05858	0.9
145.04955	2.2
145.10068	1.8
146.02719	0.8
147.11665	1.8
149.09610	6.3
149.13229	2.5
151.11180	1.3
153.09109	4.9
158.10893	2.4
159.02890	1.9
163.11131	1.5
163.14798	4.8
164.27043	0.8
165.12717	2.6
165.38611	0.7
167.10672	1.5
173.13258	15.9
189.12590	0.9
191.14297	69.9
209.15355	100.0
223.11464	2.2
231.05077	1.5
241.12578	2.7
263.06042	0.7
330.13956	0.8
330.17215	4.2
523.14606	0.8
578.22510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1344
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.85212	0.3
53.03929	0.8
53.34439	0.3
55.01859	1.0
55.05501	0.4
57.03431	1.1
61.02912	0.9
66.93420	0.3
67.05487	0.6
68.99770	0.4
69.03423	5.1
69.07058	0.5
70.06567	0.9
71.04980	1.1
71.06486	0.4
71.06814	0.6
73.02924	0.8
78.52407	0.3
79.05483	0.5
80.11615	0.3
81.03416	3.6
81.07041	0.3
81.75089	0.3
83.04951	0.4
84.04496	0.6
85.02436	0.5
85.02904	6.7
86.09707	1.0
87.00841	2.1
91.05468	0.5
93.07035	0.5
94.02815	0.3
95.04925	0.4
95.08559	0.6
97.02898	4.5
97.06528	0.3
98.97573	0.3
99.04459	1.6
100.11237	1.1
103.03967	0.5
103.05447	0.6
105.01864	0.6
105.03398	0.4
105.07040	0.5
107.04939	0.6
107.08610	0.4
109.02876	3.7
112.07575	0.3
117.05470	0.4
117.07060	0.4
120.08089	1.1
121.10146	0.5
127.03910	5.4
131.04897	0.9
137.05969	1.0
145.02748	0.4
145.04932	0.9
147.04398	1.5
151.07491	0.6
153.01831	2.2
153.05507	0.4
154.12315	0.5
159.02881	0.9
159.08000	0.5
161.05992	0.4
165.05341	0.3
165.85995	0.3
167.07007	2.0
178.02551	0.5
181.04926	0.8
182.15353	0.6
187.05978	0.7
191.07040	1.0
213.03958	0.4
231.04758	0.4
242.05759	2.1
243.06303	0.5
245.04491	0.5
258.05243	1.4
269.04459	0.5
270.05212	10.2
271.05945	1.2
273.03970	1.0
286.04724	1.1
287.05502	5.3
298.04669	0.7
299.05554	1.2
300.05984	0.4
301.03464	2.7
301.06900	0.5
302.04196	3.2
311.05359	0.4
313.03406	0.6
315.04962	39.2
316.05725	11.9
317.06155	0.4
329.06635	0.7
331.08105	100.0
332.08401	2.0
355.08130	0.5
373.09174	1.5
493.13394	12.4
535.14020	0.4
547.19690	0.8
561.12433	0.6
578.42059	1.3
579.13446	3.7
579.22223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01873	6.4
55.05505	36.8
57.03457	9.7
59.04058	4.4
59.04969	6.4
67.05505	82.2
68.75920	4.9
69.03412	7.5
69.07068	28.0
71.04986	15.5
71.49894	9.0
79.05493	54.3
81.03416	12.6
81.07057	100.0
83.04964	9.7
83.08612	18.8
85.06544	6.1
91.05487	55.3
93.07043	53.0
95.04964	20.4
95.08601	57.7
96.70618	4.6
97.06546	13.1
97.10162	15.3
98.36326	5.3
99.08064	5.8
105.07015	58.9
107.04945	5.7
107.08585	40.8
109.06543	5.9
109.10135	27.0
117.06991	14.3
119.08577	37.3
121.10126	32.8
123.11712	14.7
125.09615	11.5
129.07010	13.1
129.48907	5.0
131.08562	23.5
133.10139	21.7
135.08006	6.5
135.11703	17.1
137.09650	6.9
143.08571	14.1
145.10086	24.3
147.11688	24.2
149.09619	5.2
149.13225	9.3
157.10133	15.3
157.23320	4.3
159.11674	17.4
161.13261	11.5
163.11249	5.0
166.33322	5.9
169.10078	8.1
171.11696	10.8
173.13249	10.1
175.11301	5.7
175.14845	5.2
183.11638	6.6
185.13266	10.3
189.11238	7.8
191.88782	5.1
209.13382	5.4
227.12794	8.9
267.15897	21.7
267.21228	4.6
275.19897	5.6
278.06033	4.8
301.25131	12.3
335.25766	13.3
363.25894	5.2
417.31409	7.2
435.32761	7.2
453.33408	13.7
471.35110	6.1
527.37238	45.2
545.38385	29.4
559.39722	10.3
577.36670	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01870	8.0
55.05510	22.5
56.96541	1.9
57.03422	6.3
57.07063	2.0
65.03925	2.8
67.05502	49.8
69.03421	6.1
69.07064	24.5
70.60800	6.1
71.04973	4.7
74.25330	1.7
74.35783	1.5
75.62443	1.8
79.05489	39.2
81.03408	6.8
81.07052	100.0
83.04961	5.5
83.08630	14.1
85.02906	4.6
85.06535	6.4
91.05469	38.3
92.05801	1.6
93.07037	42.6
95.04961	9.1
95.08601	37.7
97.02860	2.9
97.06535	11.6
97.10126	3.2
99.08096	3.4
105.07030	58.3
107.04963	8.2
107.08580	29.4
109.02869	4.9
109.06509	10.5
109.10142	11.3
111.04451	1.8
111.08092	4.5
117.07020	13.5
119.08571	43.2
121.06508	2.5
121.10139	30.0
123.08057	7.2
123.11689	15.8
125.09619	3.7
127.03898	3.1
127.07525	3.8
128.06201	2.9
129.06990	4.8
131.04953	1.8
131.08540	14.7
133.10126	19.5
135.08040	5.2
135.11665	11.0
137.09595	3.8
137.13193	1.6
143.08560	6.5
145.10115	15.6
147.07991	2.0
147.11678	55.4
149.09586	11.9
149.13245	5.8
151.11165	2.6
155.08571	1.8
157.10080	5.9
159.11699	12.8
161.09547	1.9
161.13289	7.6
163.11182	6.4
165.09071	2.9
165.12735	18.4
171.11678	3.5
173.09543	1.7
173.13246	4.3
175.11162	3.3
175.14836	3.9
177.12761	1.9
183.11710	1.9
185.13295	4.1
193.12146	2.3
227.12785	2.8
229.14317	1.9
229.19554	3.2
239.17967	2.2
241.19530	5.1
247.20561	3.1
255.46849	1.5
257.19034	7.4
259.20578	14.7
265.65384	1.6
267.15921	20.3
269.12283	1.6
273.18402	2.1
275.20020	43.0
277.21719	2.1
285.16864	12.8
293.21133	5.0
308.27878	1.5
333.24387	3.0
349.23782	15.4
351.25272	20.7
559.36438	10.3
577.37463	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	577.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05711	2.2
53.03934	6.9
55.01866	14.2
55.05507	34.3
57.03431	14.3
57.07058	4.2
65.03934	4.1
67.05500	93.6
69.03410	4.3
69.07060	24.4
70.64329	7.2
70.89436	2.0
71.04979	8.1
71.08624	2.5
72.77357	2.1
79.05487	95.8
81.03397	11.1
81.07051	100.0
83.04980	26.6
83.08622	18.6
85.06527	9.3
91.05473	98.4
93.07034	96.7
95.04960	25.0
95.08595	48.8
97.06524	17.9
97.10158	6.4
99.04468	3.3
99.08073	3.9
103.05461	4.1
105.07021	82.6
107.04954	32.8
107.08587	53.5
109.06503	9.6
109.10140	25.7
111.04431	27.2
111.08076	11.0
115.05453	4.0
117.07020	32.8
119.05012	2.6
119.08573	78.2
121.06483	6.8
121.09320	3.9
121.10137	59.7
123.08072	6.0
123.11710	8.0
125.05986	6.2
125.09679	5.5
128.06198	4.4
129.05490	3.4
129.07008	18.5
131.08557	45.5
133.06421	4.2
133.10117	59.1
135.08006	6.7
135.11678	45.2
137.09567	2.9
143.08563	14.4
145.06485	7.0
145.10112	56.0
146.10451	2.1
147.04366	2.8
147.08133	2.6
147.11679	63.3
149.09622	9.8
149.13210	15.1
151.11180	4.8
153.12753	11.3
155.08533	8.3
157.10101	16.5
159.11679	22.5
161.09673	3.9
161.13239	35.4
163.11169	43.3
163.14804	7.7
165.12732	5.5
171.11676	18.9
173.09598	22.7
173.13245	15.7
175.11208	2.8
175.14807	19.3
177.12613	3.0
181.12207	18.0
183.11685	4.2
185.13245	15.5
187.14763	8.4
189.12770	5.4
191.10654	25.3
193.12253	3.1
197.13257	3.5
199.14792	7.8
203.14374	2.8
209.11687	7.3
217.19473	2.7
227.12740	26.9
231.20969	12.2
239.18089	3.2
241.19487	43.7
257.04428	2.4
257.18954	8.5
259.20563	76.5
261.22217	2.7
265.14322	25.3
267.15933	6.3
273.18619	3.1
275.20081	20.4
277.21774	12.1
283.15387	39.6
285.16922	5.2
291.19595	4.4
299.14847	4.7
301.16434	32.0
315.23175	6.9
333.24219	40.0
335.25800	5.6
339.16992	2.5
349.23666	3.9
351.25537	4.6
351.76703	2.4
403.29568	2.5
421.30865	3.9
431.29449	2.8
449.30582	3.8
467.31393	6.8
513.35559	9.2
517.24792	2.6
523.33936	6.1
541.35406	17.0
559.36432	21.4
577.33392	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03932	3.3
55.01868	13.3
55.05264	2.1
55.05506	27.2
57.03433	7.3
57.07068	3.1
57.90139	1.2
65.03928	3.4
67.05499	61.4
69.03428	2.8
69.07065	25.5
69.46404	8.0
69.46825	3.7
71.05009	6.5
72.17843	1.2
79.05489	51.4
81.03417	7.7
81.07051	100.0
83.04974	8.9
83.08609	12.3
85.02901	1.9
85.06518	4.1
91.05474	52.4
93.07038	49.0
95.04954	12.2
95.08600	39.7
97.06528	18.1
97.10172	5.3
98.98463	28.8
98.98989	1.0
99.08097	4.0
105.07024	55.6
107.04940	13.3
107.08581	35.3
109.02880	3.4
109.06532	9.8
109.10159	18.5
111.08075	3.4
113.06042	1.5
115.05501	1.5
116.99495	2.4
117.07004	12.1
119.08571	42.5
121.06502	3.9
121.10135	30.3
123.08064	5.9
123.11688	19.9
125.09615	5.3
127.07532	2.6
129.07004	5.4
130.07756	1.5
131.08571	18.3
133.06514	1.5
133.10109	23.8
135.08080	3.7
135.11676	10.6
137.09596	4.8
137.13248	1.8
139.11168	2.4
141.07005	2.0
143.08551	3.5
145.06450	2.4
145.10112	16.9
147.08035	2.8
147.11681	48.0
149.09607	17.7
149.13213	8.6
151.11156	3.3
155.01027	21.6
157.10138	3.4
159.11691	10.6
161.13272	8.8
163.11180	8.9
163.14783	4.0
165.09015	1.7
165.12740	20.7
169.10123	3.4
169.12234	1.6
171.10231	1.8
171.11652	3.4
173.13283	7.3
175.11165	2.4
175.14792	1.8
179.14362	3.1
183.11659	2.0
185.13171	2.3
187.11102	2.0
187.14857	4.9
189.11250	3.0
193.12216	2.5
195.13760	1.5
201.16399	1.6
205.12225	1.7
209.90790	1.4
227.12692	6.1
229.14394	3.4
229.19547	3.1
239.17920	3.8
243.21031	8.4
245.13995	1.9
257.18973	6.9
259.20496	2.0
261.22156	15.0
267.15866	30.8
268.35608	1.6
273.18814	1.5
275.20050	54.2
276.20651	1.8
285.16962	21.4
291.19431	1.6
293.21103	5.9
317.06253	2.9
317.24725	2.4
331.22571	1.4
335.25812	22.3
349.23706	22.8
349.27701	2.4
387.25351	1.6
415.22574	1.9
437.25415	1.9
541.35132	2.3
559.27838	2.3
559.36218	16.9
577.33435	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	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01880	18.6
55.05507	23.3
57.03437	14.4
57.07052	2.9
65.03938	7.5
65.18595	2.6
65.66721	2.3
67.05499	85.3
69.07059	25.3
71.04990	8.4
71.66594	2.3
79.05489	79.4
81.03404	11.1
81.07050	87.8
83.04973	30.8
83.08627	14.0
85.06538	6.8
91.05473	76.9
93.07040	100.0
95.04956	24.4
95.08604	40.9
97.06541	21.3
97.10166	3.0
99.04456	3.0
99.08094	7.2
105.07027	74.0
107.04952	38.1
107.08577	52.3
109.06511	7.3
109.10148	14.9
111.04440	34.8
111.08060	11.8
115.05477	4.4
117.06997	31.4
119.08574	78.1
121.06497	7.5
121.10132	54.8
123.08032	5.8
123.11700	4.9
129.07007	18.1
130.07861	3.8
131.08545	48.5
133.10117	43.3
135.08044	6.1
135.11679	53.2
137.09668	2.7
143.08568	17.0
145.06483	4.8
145.10110	54.8
147.08046	5.5
147.11685	50.0
149.09583	10.8
149.13226	13.3
153.12741	17.9
155.08551	9.9
157.10150	8.0
159.11719	19.4
161.13240	42.8
163.11183	51.6
163.14769	6.6
163.21707	2.7
165.12694	4.8
169.10141	5.9
171.11635	16.2
173.09610	25.4
173.13235	17.6
175.11279	3.1
175.14865	20.6
177.12791	5.0
177.53845	3.0
181.12204	22.3
185.13263	9.3
187.14774	5.2
191.10631	29.6
196.84917	2.7
199.14809	8.5
201.12833	4.5
201.16368	3.2
203.14255	3.8
209.11742	10.6
213.16423	4.4
227.12781	28.8
231.21072	8.0
239.18097	3.0
241.19504	42.5
257.18991	10.9
259.20560	86.2
265.14285	28.9
267.15677	2.8
275.20139	8.0
277.21606	8.1
277.69080	2.7
283.15372	51.0
299.14761	4.9
301.16455	53.4
333.24225	47.3
335.25723	7.9
349.23776	4.9
351.25464	5.6
421.31198	4.1
449.30408	5.4
467.31525	5.9
485.32629	3.8
513.35590	11.8
523.34058	6.1
541.35114	22.0
559.36316	22.1
577.37244	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	577.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75396	3.1
53.03933	5.0
54.55487	3.1
54.55809	4.0
55.01870	8.0
55.05503	23.6
57.03447	4.3
57.07063	10.8
61.02943	4.0
67.05503	37.7
68.99797	3.8
69.03427	38.1
69.07065	47.3
71.04996	6.7
71.08637	5.1
71.57661	5.2
73.02911	4.9
79.05479	21.3
81.03412	19.8
81.07051	88.8
83.04979	3.7
83.08605	27.5
85.02900	67.1
85.06537	16.2
87.00806	21.4
91.05485	16.1
92.78781	3.3
93.07045	25.7
95.04984	7.7
95.08601	100.0
97.02890	23.0
97.06526	9.5
97.10159	22.5
98.97533	3.9
99.04440	11.5
99.08092	9.8
105.01860	28.3
105.07024	17.5
107.08584	28.1
109.02866	18.7
109.10143	48.2
111.04389	3.7
111.08110	4.4
111.11730	17.3
117.07023	4.5
119.08582	11.4
120.08099	5.0
121.01091	3.5
121.10147	13.6
123.11710	30.7
125.13289	6.3
127.03924	39.9
131.08569	8.1
133.10135	8.3
135.11667	11.6
135.30148	3.5
137.05981	11.4
137.13249	13.8
145.02895	7.6
145.04965	10.3
145.10139	7.8
147.04414	7.4
147.11688	8.9
149.13272	18.9
151.14792	19.8
157.10213	4.1
159.02925	8.2
159.11682	6.8
163.03960	5.1
163.11136	4.0
163.14813	8.0
165.16367	8.7
167.07011	8.6
177.05504	14.8
177.16415	6.7
178.04930	17.9
179.17969	7.2
181.05017	3.8
191.17949	5.3
193.19469	4.1
198.16827	3.6
206.04472	26.6
219.51161	3.6
230.15259	4.4
231.04990	11.2
275.27344	13.5
293.28354	27.2
299.06241	4.8
311.29465	15.3
329.30563	9.8
383.29526	4.2
391.16464	4.3
401.30170	5.4
487.30258	4.1
577.22247	4.3
578.24091	4.2
586.90753	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	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01866	21.7
55.05507	23.8
57.03421	13.8
60.25011	3.9
65.03945	3.5
67.05497	64.3
69.07065	35.9
69.43439	36.4
71.04977	7.2
79.05483	49.2
81.03417	7.5
81.07049	100.0
83.04987	10.4
83.08620	18.4
85.06532	9.2
85.94514	3.4
91.05453	49.5
92.31760	3.9
93.07031	49.0
95.01271	4.2
95.04955	18.3
95.08587	37.5
97.06527	34.6
97.10168	3.7
98.20815	8.5
99.08087	6.0
105.07030	70.3
107.04939	13.7
107.08569	27.9
109.06515	6.2
109.10139	14.3
113.70937	4.1
117.07012	14.9
119.08549	44.0
121.06498	9.6
121.10170	24.2
121.85248	3.6
123.08030	7.2
123.11699	17.7
131.08533	24.8
133.10110	32.0
135.11658	12.3
136.09502	3.6
143.85696	3.9
145.10121	14.6
147.11674	45.0
149.02351	10.8
149.09589	8.3
149.13246	6.9
156.79994	4.3
157.10117	4.6
159.11656	12.6
161.13222	8.8
163.11087	5.7
165.12787	13.6
171.11705	4.3
173.13248	11.6
175.14801	3.9
177.12723	5.0
179.14314	7.2
187.11166	6.8
193.05000	5.5
193.12408	3.7
247.20622	5.9
257.18985	12.8
267.15921	30.1
275.20035	61.6
285.16980	30.1
291.19650	5.8
321.69879	4.4
349.23648	28.1
425.20569	4.3
470.06747	4.2
541.35443	6.3
559.36359	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83760	4.6
55.01861	7.8
55.05495	19.4
57.07074	6.4
67.05501	35.3
69.03424	27.6
69.07062	41.0
69.31007	50.0
71.04966	5.9
71.08633	7.2
73.02908	7.3
79.05488	19.7
81.03403	22.7
81.07049	93.5
83.08626	26.3
85.02904	76.2
85.06537	15.7
85.10205	5.2
85.73219	5.4
87.00823	30.6
91.05469	11.7
93.07044	27.6
95.04973	11.7
95.08601	100.0
97.02896	17.0
97.10172	18.6
98.21489	12.3
99.04443	10.1
105.01855	32.7
105.07072	10.9
107.08601	23.3
109.02876	20.0
109.10146	56.8
111.08027	6.0
111.11717	17.4
119.07635	5.8
119.08560	11.3
121.10156	10.5
123.11701	26.2
125.13272	9.5
127.03909	47.3
129.12773	5.4
135.11720	15.4
137.13245	21.3
143.14278	6.9
145.04984	14.7
145.10080	6.4
149.13263	21.3
151.14810	22.2
159.02856	6.7
163.14810	11.4
163.74832	5.0
165.16371	12.1
177.16408	8.1
179.17982	8.1
190.70503	6.6
191.17970	6.1
204.84038	5.0
221.22185	5.7
231.05077	6.0
266.78970	4.4
275.27374	8.3
293.28339	32.2
311.29480	22.0
329.30692	8.4
383.29507	6.0
401.30338	6.9
448.09485	5.9
504.99240	6.4
577.34894	7.7
596.81580	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	577.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.39697	0.3
60.38459	0.3
65.03922	0.4
68.99787	0.7
69.03412	1.1
69.72544	0.9
69.72974	1.2
70.06598	0.3
71.04971	0.4
81.03410	1.6
81.07045	0.3
85.02905	1.5
87.00791	0.4
88.95768	0.3
91.05433	1.4
95.08550	0.3
96.02042	0.3
97.02876	0.8
98.21439	0.5
99.04453	0.3
105.01852	0.3
105.03395	0.8
109.02866	1.1
111.04433	1.3
115.05396	0.3
119.04914	1.8
121.94855	0.3
122.29960	0.3
127.03905	1.1
133.02869	1.8
135.04404	0.4
137.02342	1.1
139.03888	1.9
147.04410	5.9
149.02296	0.4
151.03867	0.5
152.01060	0.9
153.01764	0.3
161.02299	0.4
162.03156	1.2
163.03841	0.4
165.05556	0.3
167.03394	10.8
177.01840	0.5
179.03372	0.4
183.04486	0.4
187.07509	0.3
189.01831	5.1
200.04666	1.2
211.03873	0.6
212.04622	0.5
215.07056	0.7
216.04193	0.4
219.06497	0.3
227.07025	0.9
228.04158	5.3
229.04942	1.0
230.05652	0.7
231.06523	1.0
241.04955	0.5
243.06506	16.8
244.06772	0.3
245.08101	0.5
256.03683	1.7
257.04453	1.6
259.05939	0.4
264.18640	0.3
271.06000	14.0
273.07538	1.0
284.03214	1.4
286.04773	0.5
287.05499	2.7
299.05518	4.8
301.07040	1.2
314.04208	0.8
329.06528	100.0
330.06723	1.5
353.05853	0.3
404.04434	0.4
585.57367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.3
54.95393	1.3
55.01870	9.2
55.05510	35.8
57.03430	7.3
57.07067	3.4
63.27945	1.4
65.03909	5.2
67.05502	64.3
69.03424	9.8
69.07063	35.9
71.04996	10.9
71.54299	1.3
72.71044	1.3
79.05489	50.7
81.03387	5.3
81.07053	100.0
83.04980	10.3
83.08233	1.3
83.08617	16.2
85.06528	5.6
91.05481	61.0
93.06479	2.6
93.07040	40.2
95.04955	15.0
95.08601	34.9
97.02903	7.0
97.06532	10.6
97.10176	11.3
98.21494	4.9
99.08067	4.4
103.05444	3.0
105.07027	57.8
107.04961	13.7
107.08586	34.5
109.06495	8.2
109.10162	13.2
111.08065	5.3
115.05401	3.0
116.06205	2.5
117.06360	1.6
117.07020	19.4
117.07765	2.7
119.08575	45.7
121.06475	4.9
121.10141	26.1
123.08093	10.4
123.11702	25.2
125.09618	8.0
125.14577	1.3
127.07529	4.1
128.06166	4.5
129.07010	10.5
131.08580	19.0
132.08896	1.5
133.06439	5.1
133.10129	14.4
135.08038	7.0
135.11662	5.5
137.09601	4.3
137.13304	1.7
140.44203	1.9
141.07001	2.4
142.07756	2.3
143.08514	9.4
145.06476	2.5
145.10114	21.1
147.08026	8.8
147.11687	55.9
149.09555	6.0
149.13205	5.4
155.08514	2.4
157.10109	9.7
159.07994	2.8
159.11719	9.6
161.09602	7.5
161.13255	2.0
163.11130	4.9
165.09128	3.0
165.12761	21.1
167.08505	2.4
169.10031	2.0
171.07886	1.5
171.11656	5.0
173.11774	2.1
173.13261	3.7
175.11119	7.1
177.12689	3.1
179.14201	1.9
181.10103	2.0
183.13786	3.3
185.09697	1.5
185.13234	3.8
189.11160	5.1
189.12717	2.7
193.12276	2.0
195.11586	2.1
195.13718	1.9
197.13184	1.9
205.12187	1.9
213.12820	2.2
223.13258	15.1
227.12767	2.5
229.14314	3.2
237.16293	1.7
245.18977	5.1
255.17346	3.6
259.20581	1.8
263.20145	1.6
267.15909	28.2
273.18466	39.3
275.17252	1.7
275.20084	5.3
285.16956	14.2
291.19528	74.7
292.19812	1.6
347.22028	11.0
365.23071	2.2
382.37527	1.6
382.85406	1.6
531.36908	2.2
543.36676	6.2
557.34302	4.9
575.35602	51.9
578.40948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01865	10.2
55.05508	37.9
57.03439	7.6
57.07068	19.0
59.05015	1.4
60.69183	1.0
61.02930	6.3
67.05500	18.2
68.94155	1.0
68.99785	4.2
69.03426	46.7
69.07063	100.0
69.68497	8.0
70.06583	1.1
71.01337	1.9
71.04994	7.8
71.08634	9.2
73.02915	8.2
74.38442	1.1
79.05486	16.6
79.71013	1.3
80.85204	1.1
81.03412	42.9
81.07050	86.2
83.04980	3.3
83.08612	39.8
85.02898	83.9
85.06530	16.1
85.10172	6.2
87.00822	34.3
87.04438	1.9
91.03946	1.3
91.05477	9.2
93.06478	2.2
93.07039	28.5
95.04939	4.4
95.08598	47.0
97.02877	29.7
97.06522	11.9
97.10160	32.1
99.04443	14.6
99.08086	5.6
101.02361	2.1
103.03922	2.4
105.01868	17.8
105.07033	13.7
107.04910	1.7
107.08583	29.5
109.02874	32.3
109.06499	5.2
109.10145	31.6
111.04440	1.9
111.08081	10.2
111.11715	20.8
113.09617	3.1
117.01843	4.0
117.07007	1.6
119.04951	2.0
119.08581	11.4
121.10135	22.8
123.08091	2.6
123.11695	17.0
125.09612	4.9
125.13260	5.8
127.03909	54.1
129.01808	5.5
129.06999	1.1
129.09142	1.3
129.12752	4.0
131.08528	2.3
133.10075	6.6
133.21021	1.1
135.11676	16.8
137.05995	8.2
137.09613	1.7
137.13234	6.7
139.03912	1.4
139.11188	10.6
145.02916	1.7
145.04935	14.2
145.10147	2.3
146.05988	1.1
147.02818	2.2
147.04399	1.2
147.11713	5.9
149.13264	14.6
151.07541	1.8
151.11192	1.9
151.14806	4.6
153.12717	5.3
159.02882	12.7
161.09550	1.3
161.13297	2.5
163.14801	8.8
165.16383	1.2
167.14302	1.9
175.07480	1.4
175.14883	1.8
177.05481	2.3
177.16371	3.2
189.03918	1.3
189.16415	2.2
191.17937	30.3
193.19542	1.2
195.13702	1.6
199.20547	1.4
203.17812	1.2
205.19554	3.3
209.18987	46.1
211.09480	1.1
213.03845	1.8
217.19495	2.4
227.20059	12.8
231.05081	6.8
247.24231	2.0
261.25769	1.3
265.25244	9.8
269.17377	1.3
273.25809	3.5
279.26797	10.9
283.26331	12.4
291.26849	12.7
297.27853	75.9
298.28317	1.1
309.27850	74.0
313.06897	1.4
327.28888	59.3
351.29007	2.0
417.30075	1.5
575.22076	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	575.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01877	3.8
55.05512	28.4
56.96568	2.4
57.03442	2.9
57.07075	14.7
59.05002	3.5
59.72218	1.6
61.02920	3.0
67.05504	18.3
69.03432	17.1
69.07066	83.0
69.95142	4.5
69.95549	4.2
71.04998	5.4
71.08632	6.2
73.02917	3.8
79.05487	19.6
81.03410	11.2
81.07054	100.0
83.08617	28.4
85.02425	3.0
85.02905	34.4
85.06554	10.8
85.10184	1.9
86.09721	2.3
87.00842	9.0
87.01288	1.4
91.03967	1.9
91.05466	10.6
93.07047	26.4
95.04956	3.2
95.08607	57.9
97.02898	12.1
97.06512	9.8
97.10157	16.9
99.04465	6.6
99.08092	5.6
103.33009	1.4
105.01878	10.7
105.07021	15.2
107.04963	2.9
107.08600	33.6
109.02862	10.8
109.06537	4.4
109.10150	38.0
111.08078	7.1
111.11710	14.4
113.09678	2.5
117.03410	2.0
119.08585	13.3
119.09315	2.1
121.10151	19.7
123.08035	2.3
123.11716	22.9
125.09600	4.5
125.13287	1.9
127.03933	18.2
127.11217	2.4
129.12791	1.7
131.08633	1.8
133.10130	7.4
135.11690	18.1
137.05984	4.5
137.09625	2.9
137.13248	9.1
139.11172	9.1
143.08490	1.6
145.04977	5.7
145.10164	2.2
147.04448	3.2
147.11647	10.3
149.13255	18.6
151.11223	3.6
151.14775	2.1
153.12773	4.4
159.02826	3.9
159.11713	1.9
161.13257	10.1
163.14828	12.9
165.16420	1.6
167.14334	2.3
175.07533	1.5
175.14832	4.6
177.05531	6.0
177.16418	7.3
177.25302	1.5
189.16370	3.3
191.17979	8.3
193.19511	2.7
195.13765	2.2
203.17932	4.4
205.19560	7.1
217.19479	5.6
231.05014	3.3
231.20859	1.7
235.20587	2.7
247.24199	4.8
261.25839	6.6
273.25763	15.3
279.26831	30.3
291.26813	33.4
292.27109	1.7
309.27881	91.6
322.08252	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03922	0.6
55.01863	0.8
55.05498	0.8
55.17825	0.6
57.03434	0.7
65.03926	1.5
65.56879	0.6
67.05482	0.9
69.03409	2.2
69.58773	5.3
70.06573	1.6
71.04960	2.2
72.08132	0.8
72.17671	0.7
73.02903	0.9
76.03133	0.8
79.05470	1.5
81.03410	6.3
81.07045	1.1
85.02903	5.2
85.97531	0.8
86.06039	0.6
86.09689	1.5
89.03876	1.0
91.05469	20.4
95.04929	1.1
98.06027	0.9
105.03376	3.0
105.07009	0.8
107.08577	0.7
109.02852	1.5
119.04930	28.6
120.04462	2.1
121.59389	0.7
127.03904	1.3
132.02065	1.6
132.04431	9.2
133.02888	0.9
137.05962	1.4
147.04390	27.4
149.02356	1.1
157.03915	2.5
175.03888	46.0
176.04379	0.6
178.04970	75.7
179.05612	0.6
179.07019	3.6
206.04463	100.0
207.06505	98.9
212.16434	2.1
244.15456	3.8
287.05527	0.8
351.10690	6.9
369.11633	3.6
374.17316	0.7
374.21695	3.0
412.95505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28326	6.6
55.05508	18.1
55.12159	6.7
56.20002	6.9
57.03441	8.8
67.05489	31.7
69.03413	24.6
69.07063	34.2
70.06594	16.3
70.90824	12.0
70.91161	15.3
71.04970	13.3
71.15623	7.4
73.02924	8.2
79.05480	21.5
79.91467	6.7
81.03408	17.7
81.07057	100.0
83.08611	19.3
85.02892	48.8
85.06548	12.6
87.00819	18.3
91.05477	20.3
93.07048	49.8
95.04977	14.3
95.08599	79.1
97.02904	14.9
97.10154	9.9
99.08095	13.5
105.01872	16.4
105.07005	30.4
107.04959	8.7
107.08569	36.9
108.08138	13.0
109.02874	16.0
109.06450	8.7
109.10155	74.4
111.08116	8.6
119.08593	12.3
119.61847	8.4
120.08116	19.4
121.10123	31.4
122.06049	11.1
123.11716	40.8
127.03913	27.1
131.04948	12.4
133.10138	11.5
135.08060	11.6
135.11673	27.7
136.07562	17.2
137.05974	93.9
137.13249	22.9
143.08597	8.6
145.06517	8.4
148.07593	58.7
149.13307	39.1
151.07558	18.8
153.12755	11.7
163.07494	9.9
163.14771	14.6
163.88734	7.3
169.50815	7.8
175.07521	11.9
177.16374	18.3
191.17897	10.3
212.06956	15.3
217.19450	15.1
229.08496	8.2
231.05066	13.1
235.20679	10.5
238.04953	38.1
252.08543	12.8
268.06046	9.4
270.07593	37.3
273.25854	9.0
287.05551	9.9
291.26791	32.4
321.93188	9.3
327.05103	22.6
327.11795	8.2
405.14124	9.8
477.04901	8.0
503.29901	10.6
575.22400	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	573.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
55.01867	10.8
55.05507	44.9
57.03433	14.2
57.07072	16.2
61.02924	9.2
65.03916	11.0
67.05498	39.4
68.99763	5.9
69.03422	53.4
69.07064	79.7
70.06631	5.4
71.04990	18.1
71.08628	7.4
71.56252	5.6
71.56738	8.9
73.02911	10.9
75.23309	5.4
79.05489	24.9
81.03423	51.6
81.07056	100.0
83.04984	33.4
83.08621	25.5
85.02899	77.9
85.06557	10.1
85.10207	7.2
87.00826	31.3
90.58065	6.4
91.05446	29.4
93.07037	48.0
95.04983	16.4
95.08607	66.7
97.02893	34.3
97.06536	24.0
97.10170	23.9
99.04447	16.0
105.01855	21.4
105.07009	30.6
107.04990	10.4
107.08562	36.9
109.02872	32.5
109.06538	13.5
109.10139	45.7
111.08066	15.8
111.11706	7.1
115.86790	5.8
116.18298	5.4
117.07009	11.0
118.85558	7.3
119.04935	9.4
119.08601	26.2
121.06474	9.6
121.10107	30.8
123.08061	6.1
123.11678	27.6
125.05996	11.9
125.13327	6.6
127.03921	46.6
127.11251	5.7
131.04926	11.1
131.08562	9.8
133.06497	9.4
133.10088	15.4
135.08005	8.0
135.11671	26.8
137.05971	17.4
137.09596	6.4
137.13246	9.2
143.08559	6.4
145.02869	6.6
145.04959	17.9
145.06462	6.6
145.10123	24.7
147.04416	50.1
147.11684	16.8
149.09601	7.2
149.13231	18.1
151.07591	10.3
159.02921	14.6
159.11688	18.4
161.09718	8.4
161.13278	10.1
163.03818	6.0
163.14809	10.0
166.41264	5.5
173.09648	8.6
173.13133	8.2
176.53397	5.6
177.05510	9.2
177.12764	9.3
179.18022	7.0
187.07591	9.1
187.09698	5.4
191.17999	24.3
209.19089	17.9
215.17892	6.6
231.04953	13.9
271.24210	16.2
273.18414	7.2
289.25269	26.7
307.26398	37.6
313.07074	7.2
449.12613	8.9
573.32654	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	573.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23148	1.9
56.96562	54.7
57.03426	1.9
63.91327	1.6
63.99150	2.0
69.03432	5.5
70.06594	3.4
71.95287	2.4
73.02911	1.8
84.96032	23.1
85.02895	7.5
91.05536	2.1
97.02886	5.2
98.97573	85.2
102.97090	4.1
110.97543	13.8
116.98616	83.8
117.03381	2.6
119.01881	3.8
119.04974	3.6
124.99144	3.8
127.03902	4.0
128.98608	38.9
131.00136	5.0
131.01866	2.0
133.01639	1.8
133.06088	3.9
134.99651	50.2
140.98599	8.3
143.00150	34.1
144.98163	2.6
145.04863	2.3
146.99641	47.3
147.04396	9.0
149.01221	9.1
152.98595	4.2
153.00711	6.2
158.99634	42.9
159.00856	3.9
161.01215	84.4
162.99150	10.2
165.00746	7.0
168.98157	2.9
170.99628	32.2
173.01180	4.4
174.99199	5.4
175.02736	3.4
177.00697	50.3
177.02174	3.4
177.05524	4.5
179.02257	19.8
181.00090	2.5
182.99573	12.8
184.02780	5.3
185.01236	5.0
185.02887	3.0
186.99165	14.8
187.02728	2.6
189.00691	63.8
191.02411	2.3
191.03920	2.3
193.00232	4.7
195.01811	6.4
200.02306	3.3
201.00706	83.8
203.02263	16.4
203.03955	3.1
205.00201	33.9
207.01732	10.2
209.01366	2.3
209.04813	2.0
212.02330	1.9
213.00659	5.6
217.00087	2.0
217.03868	2.4
219.01746	83.6
223.01218	21.2
224.02266	3.2
227.02405	3.0
229.00221	4.4
229.88857	2.0
231.01778	8.8
237.02809	46.0
242.03378	6.5
243.01750	21.5
245.03206	2.3
246.03079	2.4
247.01297	7.7
247.04918	3.0
248.99075	10.3
249.02913	2.7
253.07629	2.2
255.03860	3.7
260.04309	2.8
261.02802	100.0
265.02213	4.1
267.00198	24.1
272.00995	2.4
272.06549	2.2
272.99094	3.2
273.02869	9.1
279.03876	56.6
281.06787	2.7
281.57202	5.0
284.04587	2.9
287.04404	6.3
289.02185	2.5
291.00223	24.8
291.03854	20.9
295.08960	4.6
302.05457	6.2
305.05325	3.2
307.03461	3.4
309.01355	18.9
309.04727	2.7
311.06390	2.2
321.01263	11.2
321.04926	50.7
325.04254	2.7
331.03409	5.0
333.01407	2.8
333.04996	8.6
349.04462	7.9
351.02203	5.6
351.05991	14.7
375.02533	13.2
381.06894	11.2
390.30301	2.3
393.03445	31.3
399.07819	16.8
411.04407	29.3
439.13312	2.7
449.38635	2.1
455.10861	4.3
469.08798	10.8
493.08649	4.3
511.09821	3.8
537.07416	15.7
555.08600	34.5
573.09747	34.6
573.18060	4.4
574.09784	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	570.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12765	0.2
55.01889	0.2
55.05517	0.3
55.86289	0.2
56.05030	0.9
57.03414	0.3
58.06611	0.5
60.08161	6.5
61.80949	0.2
67.05511	0.5
68.02898	0.2
69.03426	0.2
69.07072	0.2
69.60371	1.1
69.60788	0.5
70.06584	0.7
71.07371	3.5
79.05491	0.4
81.07053	0.9
83.04984	0.2
84.08138	0.2
85.02898	0.6
86.09702	33.0
87.10031	0.4
91.05492	0.5
93.07079	0.4
95.04979	0.2
95.08611	0.4
96.08940	0.2
97.02877	0.3
98.98466	3.4
104.10736	4.4
105.07028	0.4
107.08584	0.4
109.02860	0.4
110.07167	0.3
119.08571	0.4
121.10137	0.3
125.00002	21.1
127.03905	0.5
128.32811	0.2
133.10110	0.2
137.05957	0.3
143.01047	0.5
147.11728	0.3
150.72714	0.2
184.07330	100.0
185.07692	0.8
197.12801	0.3
241.09657	0.2
452.24036	1.3
516.30615	0.4
534.31458	0.7
552.32813	1.5
570.34149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23148	1.9
56.96562	54.7
57.03426	1.9
63.91327	1.6
63.99150	2.0
69.03432	5.5
70.06594	3.4
71.95287	2.4
73.02911	1.8
84.96032	23.1
85.02895	7.5
91.05536	2.1
97.02886	5.2
98.97573	85.2
102.97090	4.1
110.97543	13.8
116.98616	83.8
117.03381	2.6
119.01881	3.8
119.04974	3.6
124.99144	3.8
127.03902	4.0
128.98608	38.9
131.00136	5.0
131.01866	2.0
133.01639	1.8
133.06088	3.9
134.99651	50.2
140.98599	8.3
143.00150	34.1
144.98163	2.6
145.04863	2.3
146.99641	47.3
147.04396	9.0
149.01221	9.1
152.98595	4.2
153.00711	6.2
158.99634	42.9
159.00856	3.9
161.01215	84.4
162.99150	10.2
165.00746	7.0
168.98157	2.9
170.99628	32.2
173.01180	4.4
174.99199	5.4
175.02736	3.4
177.00697	50.3
177.02174	3.4
177.05524	4.5
179.02257	19.8
181.00090	2.5
182.99573	12.8
184.02780	5.3
185.01236	5.0
185.02887	3.0
186.99165	14.8
187.02728	2.6
189.00691	63.8
191.02411	2.3
191.03920	2.3
193.00232	4.7
195.01811	6.4
200.02306	3.3
201.00706	83.8
203.02263	16.4
203.03955	3.1
205.00201	33.9
207.01732	10.2
209.01366	2.3
209.04813	2.0
212.02330	1.9
213.00659	5.6
217.00087	2.0
217.03868	2.4
219.01746	83.6
223.01218	21.2
224.02266	3.2
227.02405	3.0
229.00221	4.4
229.88857	2.0
231.01778	8.8
237.02809	46.0
242.03378	6.5
243.01750	21.5
245.03206	2.3
246.03079	2.4
247.01297	7.7
247.04918	3.0
248.99075	10.3
249.02913	2.7
253.07629	2.2
255.03860	3.7
260.04309	2.8
261.02802	100.0
265.02213	4.1
267.00198	24.1
272.00995	2.4
272.06549	2.2
272.99094	3.2
273.02869	9.1
279.03876	56.6
281.06787	2.7
281.57202	5.0
284.04587	2.9
287.04404	6.3
289.02185	2.5
291.00223	24.8
291.03854	20.9
295.08960	4.6
302.05457	6.2
305.05325	3.2
307.03461	3.4
309.01355	18.9
309.04727	2.7
311.06390	2.2
321.01263	11.2
321.04926	50.7
325.04254	2.7
331.03409	5.0
333.01407	2.8
333.04996	8.6
349.04462	7.9
351.02203	5.6
351.05991	14.7
375.02533	13.2
381.06894	11.2
390.30301	2.3
393.03445	31.3
399.07819	16.8
411.04407	29.3
439.13312	2.7
449.38635	2.1
455.10861	4.3
469.08798	10.8
493.08649	4.3
511.09821	3.8
537.07416	15.7
555.08600	34.5
573.09747	34.6
573.18060	4.4
574.09784	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	569.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29033	6.5
55.01865	15.1
55.05499	24.9
64.06866	7.1
67.05486	33.6
69.07049	28.2
71.01329	27.8
71.58453	11.7
75.04455	8.0
79.05469	25.7
81.03392	9.0
81.07054	52.0
83.08617	17.8
85.02888	37.8
85.06529	7.8
91.05470	27.4
93.07034	41.5
95.04946	10.0
95.08603	100.0
97.10152	11.2
101.02395	48.5
104.44357	7.0
105.07019	36.7
107.04903	10.7
107.08587	63.7
109.10160	86.6
111.11677	7.8
119.08559	62.1
120.92355	7.6
121.10151	56.1
123.11697	35.6
127.03917	11.5
131.04984	7.5
131.08577	14.8
133.10141	53.0
135.11725	35.6
145.04947	62.4
145.10158	13.2
147.11691	40.5
149.13214	24.8
159.11667	16.1
161.13272	46.1
163.14804	17.9
171.11516	8.3
173.13272	19.5
175.14795	29.3
177.16348	14.2
179.17931	7.1
185.46921	7.5
187.14795	10.5
189.16386	51.2
191.18002	14.7
201.16264	9.4
203.17914	25.2
205.19530	20.5
207.17409	48.9
215.17973	13.9
217.19496	48.8
229.19551	10.8
231.21173	9.5
234.47270	9.3
271.24197	13.1
285.07565	12.5
315.08524	20.2
365.32257	9.2
407.36438	35.9
425.37747	44.0
438.17511	8.7
519.87903	8.4
569.17657	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	569.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.0
67.05490	36.1
68.40504	10.3
69.07067	38.6
71.01363	22.0
79.05490	23.5
81.07053	49.5
83.08637	10.0
84.07336	9.6
85.02902	39.7
91.05486	26.1
93.07036	41.2
95.08605	100.0
98.20812	25.1
101.02383	54.6
105.07025	43.6
107.08591	60.1
108.17415	8.6
109.10181	79.1
111.11667	10.3
119.08569	51.5
121.10136	57.0
123.11698	24.6
127.03790	11.0
133.10132	46.3
135.11687	32.8
143.88272	9.3
145.04955	62.9
145.10117	10.9
147.11696	33.7
149.13269	27.9
159.11670	27.8
161.13235	58.1
163.14784	17.0
175.14775	31.2
177.16438	24.2
187.14880	15.8
189.16394	39.0
191.17987	20.5
201.16402	10.2
203.17947	34.3
205.19553	20.8
207.17465	33.4
215.18019	11.1
217.19513	42.5
229.19551	17.5
257.22549	12.7
290.60916	9.2
322.85590	10.8
407.36697	37.3
425.37561	45.1
502.43954	9.7
530.63733	11.6
552.36163	9.4
569.32404	24.8
577.83350	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02464	0.6
67.05505	1.2
67.94838	0.5
69.07047	0.6
69.39068	3.6
69.39479	1.2
78.20178	0.6
79.05476	0.6
81.07048	0.7
85.02872	0.7
91.05473	0.7
93.07018	1.0
95.04949	0.5
95.08600	1.0
97.02892	0.5
105.07034	0.8
119.08571	1.0
119.79360	0.6
120.73865	0.5
167.06972	0.8
185.91109	0.5
203.05261	0.7
229.34114	0.5
259.08041	1.1
295.15332	0.6
331.10037	0.7
380.75012	0.6
407.24014	1.1
457.20404	2.2
471.21942	2.6
487.21506	1.3
569.29279	100.0
570.29547	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	569.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.5
55.05505	0.5
67.05501	1.0
69.07050	0.5
70.33685	1.8
79.05488	0.6
80.76550	0.4
81.03417	0.5
81.07040	1.3
83.01075	0.4
83.04980	0.3
85.02889	0.8
85.25151	0.4
91.05476	0.9
93.07013	0.4
95.08607	1.3
100.62465	0.4
105.07019	0.8
107.08592	1.0
109.10161	0.5
119.08554	0.7
124.67986	0.4
131.08589	0.4
133.09981	0.4
135.11711	0.4
138.59981	0.4
143.08531	0.5
145.10121	0.5
185.04237	1.0
199.14806	0.5
200.14531	0.4
203.05257	0.6
259.07889	1.4
331.09863	1.9
333.19452	0.8
345.11429	0.9
351.20551	0.5
357.51074	0.4
373.14645	0.5
387.16260	0.8
390.02142	0.5
407.24048	1.8
431.18927	0.6
441.20746	2.0
443.22885	0.8
471.22186	1.4
499.21811	0.9
569.29260	100.0
570.29681	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
63.16026	0.2
67.05490	0.9
69.03382	0.3
69.07056	0.4
70.33612	0.6
72.81588	0.2
79.05473	0.5
79.34066	0.2
81.03392	0.2
81.07050	0.7
83.08619	0.2
84.34446	0.2
85.02919	0.2
91.05493	0.5
93.07053	0.6
95.08597	0.8
105.07021	0.5
107.08559	0.4
107.89729	0.2
109.10152	0.4
119.08578	0.4
121.10122	0.3
121.45362	0.2
123.11723	0.3
127.03873	0.2
129.07018	0.2
131.08626	0.3
133.10106	0.3
147.11661	0.3
149.06036	0.2
156.75343	0.2
159.11597	0.3
184.07379	0.3
185.04269	0.5
189.16405	0.2
203.05264	0.9
253.12875	0.4
259.07971	1.1
271.13873	0.3
287.40164	0.2
295.14636	0.3
309.16263	0.2
324.52835	0.2
331.09869	0.6
333.20438	0.3
340.33618	0.2
407.23981	1.0
426.84872	0.2
457.20322	1.9
471.21979	2.2
487.21365	0.6
569.29279	100.0
570.29553	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	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.05499	8.5
57.07057	7.6
58.53922	2.1
59.04972	2.5
65.03935	4.1
67.05495	15.6
69.03403	4.0
69.07059	11.9
70.07717	11.8
70.47064	1.9
79.05482	22.0
79.41242	2.2
80.06244	4.4
81.07056	31.8
83.04979	2.4
83.08588	4.1
83.35360	2.2
85.06517	4.0
89.59726	2.1
91.05478	38.5
92.06245	2.7
93.07039	51.3
95.04973	42.7
95.08599	27.8
103.05505	2.6
105.07024	85.8
107.08586	41.9
109.06517	5.3
109.10146	19.0
110.75871	2.3
111.08112	2.8
115.05428	4.0
117.07001	26.5
119.08575	100.0
120.09434	4.8
121.06489	2.4
121.10149	31.6
123.08072	15.6
123.11716	5.4
128.06181	10.6
129.07013	15.2
130.07808	11.5
131.08566	46.2
132.09409	10.5
133.10135	50.6
134.10921	4.3
135.08060	6.0
135.11682	13.3
137.09573	4.0
138.10371	6.3
141.07002	6.6
142.07779	17.3
143.08551	41.9
144.09329	15.6
145.10118	90.0
146.10760	3.5
147.11665	18.1
149.09619	4.2
149.13254	5.7
154.07790	3.5
155.08548	16.9
156.09346	16.9
157.10118	51.3
158.10912	12.5
159.08005	2.9
159.11682	31.7
161.09624	4.9
161.13254	8.4
165.07024	2.9
167.08572	8.4
168.09285	5.5
169.10144	31.9
170.10957	10.7
171.11690	34.4
172.12401	5.5
173.13274	23.1
175.11246	2.5
175.14806	16.5
177.12755	5.3
179.08569	7.5
180.09296	6.1
181.10159	17.2
182.10892	7.8
183.11662	26.2
184.12433	5.2
185.13252	22.9
186.14020	6.0
187.14799	12.0
189.12704	3.3
191.14313	8.9
193.10091	8.4
194.10919	7.8
195.11688	26.1
196.12424	8.8
197.13264	21.1
198.13953	5.7
199.14816	9.5
201.12639	3.8
201.16335	5.6
205.15886	2.9
206.10771	3.0
207.11646	11.6
208.12466	3.0
209.13257	21.0
211.14780	15.8
212.15556	2.7
213.16408	4.6
215.14311	2.7
217.15919	3.4
219.11604	3.7
221.13249	7.3
222.13986	3.4
223.14799	6.0
224.15599	5.5
225.16345	9.3
235.14870	8.4
237.16356	8.3
239.17897	5.1
247.14723	4.5
249.16444	5.6
251.18001	4.0
257.18945	3.0
261.16348	4.0
263.18005	4.3
265.19431	3.3
273.65546	2.4
275.18048	3.5
277.19434	3.5
285.22043	2.7
297.22034	3.2
305.22839	3.0
313.17105	2.3
323.23669	5.2
338.26056	29.2
349.25241	2.7
350.25995	3.8
430.32239	11.2
468.25293	2.6
476.36334	8.4
568.42847	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	568.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01877	2.8
55.05517	7.4
56.05025	5.2
57.03434	5.1
60.61981	1.7
61.02929	17.8
67.05503	9.6
68.05038	2.0
69.03426	21.1
69.07063	4.2
70.06571	8.7
70.46255	6.4
71.04990	9.1
72.04511	3.7
73.02919	8.2
75.88620	2.0
78.35488	1.7
79.05486	10.3
81.03420	59.5
81.07049	13.5
83.04538	1.5
83.04964	9.6
83.08613	14.2
84.04507	9.8
84.08130	3.7
85.02893	31.4
85.06548	11.9
86.06070	39.6
86.09695	2.0
87.04460	27.2
91.03973	10.6
91.05482	14.4
93.07050	13.1
95.04985	17.2
95.08617	7.6
97.02896	18.4
97.06542	5.5
98.06050	27.3
99.04417	3.1
104.07108	36.9
105.07039	11.7
107.04976	3.0
107.08580	8.0
109.02895	3.1
109.06516	3.0
111.04434	4.6
111.08096	6.8
112.07621	13.8
114.05537	2.0
119.08558	9.3
121.06518	3.7
121.10169	7.9
122.02727	4.8
123.08121	2.9
123.11741	2.6
124.07590	3.6
126.05543	6.5
126.09173	2.3
127.03912	11.6
128.04289	2.0
129.07014	7.1
131.08585	15.1
133.10152	5.0
136.07579	4.5
137.06036	2.2
138.12823	3.0
140.07098	2.5
142.07729	1.8
142.08701	2.1
145.02863	5.0
145.04970	4.3
145.10120	3.2
147.11691	8.4
148.07582	3.6
149.08444	2.4
149.09618	32.6
151.11198	2.4
157.10133	7.9
158.08096	8.1
165.12721	3.4
166.12253	3.0
167.10661	3.2
175.11195	10.5
177.05486	4.4
177.12698	2.7
184.13362	3.6
191.10663	5.2
193.12225	60.3
195.13858	2.5
208.06029	2.0
209.11787	7.8
210.14958	7.4
211.13332	5.9
219.40895	1.7
224.16501	4.1
227.12743	18.4
238.06938	3.5
252.15984	10.8
259.11087	2.9
260.16489	6.1
267.15875	38.0
268.19226	3.0
278.17502	12.4
285.16940	46.1
296.18674	6.4
309.16968	4.7
326.19910	3.3
344.20709	14.5
345.71402	1.7
352.21161	2.5
361.04062	2.4
362.21741	33.1
370.22290	21.2
371.22647	2.4
388.23300	100.0
502.56967	2.3
506.25693	3.9
524.27344	2.4
550.28601	78.2
551.29309	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	568.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
53.06292	0.6
54.41906	0.6
55.01878	3.3
57.03416	2.0
61.02925	3.3
62.75742	0.6
66.04717	0.6
67.05468	0.7
68.99777	2.6
69.03425	11.3
69.93361	1.5
69.93771	2.1
71.04996	1.6
73.02906	2.6
79.05476	1.8
81.03414	12.8
81.07025	1.5
85.02901	25.2
86.09688	1.8
87.00821	9.9
91.05453	3.9
93.07060	0.8
94.04197	1.7
95.04967	2.0
96.69556	0.5
97.02886	8.3
98.20882	0.6
99.04438	4.2
103.03935	1.0
103.05450	1.0
104.10737	1.2
105.01855	6.1
105.07032	2.3
105.64945	0.7
107.04964	2.1
108.04465	1.8
109.02870	11.7
109.06528	1.5
115.05443	0.6
117.01853	2.2
119.04929	1.9
121.04071	0.6
122.03633	4.6
123.04419	25.7
124.99986	0.7
127.03910	14.4
129.01822	2.3
131.04907	1.0
133.06471	8.4
135.04456	1.0
136.34636	0.6
137.05972	23.7
145.04968	5.4
145.06505	1.1
147.03024	1.2
147.04404	19.2
149.05963	1.9
155.07059	0.7
159.02887	5.7
160.05157	1.7
161.05969	16.8
163.07513	1.6
165.05463	26.8
167.07028	100.0
168.07384	1.8
173.05948	4.7
181.08569	3.9
184.07343	4.1
185.05959	1.6
189.03896	1.2
189.05458	11.9
191.07039	3.1
193.08591	20.1
203.07011	0.9
213.05479	1.8
215.07024	2.3
231.06688	7.5
239.06953	0.8
248.07443	0.7
249.07593	1.0
253.99600	0.6
257.08112	1.5
259.33447	0.6
303.12204	4.8
327.12183	6.3
335.07526	2.4
345.13058	3.0
369.13309	6.2
393.13235	4.4
411.14261	5.7
497.14117	0.7
515.14740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01877	1.9
55.05508	15.7
57.03440	4.1
57.07071	2.8
61.02921	1.7
65.03941	2.5
67.05501	29.3
69.03436	3.7
69.07062	24.8
69.32253	1.3
70.03459	8.2
73.02915	10.2
79.05490	24.2
81.03426	5.8
81.07052	54.9
83.04990	2.5
83.08615	8.6
85.02897	13.2
91.05470	27.3
93.07036	51.1
95.04964	5.4
95.08601	73.0
97.02904	2.9
97.10179	4.4
99.00811	1.8
101.02400	2.9
103.03971	4.6
105.07027	56.2
107.08588	69.0
108.08163	1.6
109.06526	3.8
109.10149	47.8
111.08084	2.0
111.87557	1.8
114.04006	1.6
115.05453	2.0
115.28365	1.7
117.06993	8.0
119.08572	56.6
121.06538	2.3
121.10136	45.0
123.08044	1.6
123.11684	13.2
127.03940	1.8
127.11235	1.8
129.07001	8.8
130.07779	1.8
131.03459	2.3
131.08565	30.9
131.09511	1.9
133.10120	42.0
133.11066	2.4
135.08151	1.6
135.11665	19.1
137.09624	2.2
137.13304	5.3
140.21068	1.7
140.55292	1.6
141.01865	1.7
141.07011	3.3
142.07779	4.6
143.08531	19.2
144.09314	2.5
145.10115	48.0
147.08040	2.9
147.11673	32.3
147.12762	2.0
149.13243	42.7
149.14340	2.3
151.07626	1.5
155.08629	7.1
156.09357	4.4
157.10107	18.7
159.02937	1.6
159.08078	2.2
159.11674	35.3
161.09682	2.7
161.13239	24.2
161.14392	1.6
163.11189	2.1
163.14812	49.0
165.09149	1.9
167.08556	2.1
169.10103	9.4
170.10915	3.1
171.11678	17.8
173.09758	1.7
173.13274	25.7
175.11429	1.6
175.14815	39.3
175.16240	2.7
177.12762	1.6
177.16368	30.9
177.17776	1.9
179.08543	1.8
181.10150	3.6
182.10918	2.6
183.11690	9.4
184.12447	2.3
185.13271	14.4
187.14819	51.3
187.16412	3.1
189.16379	47.0
191.17938	9.2
193.10213	2.3
195.11844	4.6
195.13751	2.3
197.13290	8.0
199.14809	15.3
201.16365	32.4
203.14421	2.5
203.17932	40.2
205.19623	2.2
206.68019	1.7
209.13329	6.1
211.14742	7.7
213.12836	1.5
213.16383	25.7
213.18286	1.6
215.17976	17.2
217.15939	1.7
217.19633	6.0
221.13388	2.4
223.14931	4.4
225.16393	9.7
227.17957	16.8
229.19492	11.1
231.17522	3.8
237.16379	3.8
239.17905	8.6
241.19479	16.3
243.21051	8.1
249.16423	1.6
251.18060	4.3
253.19588	8.1
255.21014	11.6
257.18799	1.7
257.22714	2.2
265.19711	3.2
267.21066	10.9
269.22729	6.3
279.21207	2.9
281.22791	4.4
283.24350	2.8
295.24319	4.0
297.25861	3.1
307.24438	1.9
311.15158	2.0
321.26129	1.9
323.15063	2.5
333.42624	1.9
335.27219	2.0
345.17078	2.1
349.28970	2.8
351.30493	2.5
359.18594	3.4
363.18030	2.8
377.19797	6.7
389.19690	2.9
389.32111	3.0
391.21353	3.5
391.33554	26.7
403.21277	3.7
405.23572	1.9
409.34787	3.9
417.22882	4.0
429.23083	4.6
443.24588	5.2
475.15872	1.6
507.34949	1.7
531.34998	1.9
549.36108	6.1
567.27936	7.2
567.37006	100.0
568.26605	1.7
568.37573	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	567.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10923	1.3
53.66418	1.5
56.74564	1.3
61.11776	1.3
61.73403	1.2
62.06610	1.2
62.59754	1.3
64.45566	1.5
66.99820	1.3
69.03412	2.8
69.56538	11.1
71.04999	2.8
85.02889	6.8
90.55710	1.3
97.02881	2.5
98.21507	1.9
109.21474	1.3
115.03941	1.6
121.03137	1.3
121.04009	1.4
127.03912	100.0
138.64301	1.3
192.08943	1.5
250.32516	1.3
289.09164	7.3
308.25943	1.4
327.36917	1.3
453.12131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32026	0.9
55.05493	2.4
57.03429	1.0
67.05503	6.7
69.03404	2.1
69.07063	1.8
70.59857	2.5
75.75472	0.7
79.05490	2.3
81.03415	3.7
81.07055	4.0
83.04990	0.8
83.08624	1.1
85.02895	1.8
85.06564	0.7
91.05459	2.4
93.07025	2.7
95.04986	1.3
95.08625	1.6
97.02888	0.9
104.45517	0.8
104.49629	0.8
105.07015	2.1
107.08599	3.1
107.61018	0.7
109.10162	3.8
119.08601	2.0
121.10139	1.0
127.03913	1.3
131.08522	1.5
133.10149	1.7
135.11668	1.3
135.36180	0.7
145.10110	0.9
147.11705	1.4
152.78522	0.9
157.09982	0.8
173.11726	0.9
175.14806	0.9
187.14877	0.8
203.05270	1.2
259.07916	1.6
289.99152	0.8
309.83530	0.9
331.09918	1.3
405.22449	1.5
470.72885	0.9
567.27625	100.0
568.27820	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	567.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.05507	12.6
57.03439	5.2
57.07082	5.1
65.03954	2.0
67.05502	29.4
69.03439	2.0
69.07062	24.2
71.01363	2.2
71.04982	2.3
73.02913	8.6
79.05484	21.0
81.03430	5.5
81.07055	61.0
83.04948	2.0
83.08624	7.4
85.02898	18.9
91.05477	30.3
93.07043	54.2
95.04961	7.5
95.08605	74.3
97.06514	3.3
97.10193	5.4
101.02396	5.4
103.03945	3.8
103.05460	2.7
105.07024	51.9
105.07679	3.8
107.08591	70.1
109.06518	4.8
109.10152	45.8
113.02303	2.0
115.05480	3.5
117.07003	9.5
119.08576	56.1
121.06516	3.1
121.10139	47.2
123.08119	2.2
123.11684	10.3
128.06242	2.5
129.06131	1.7
129.06985	10.8
130.07831	2.6
131.08575	31.7
133.10117	44.9
135.11685	21.6
137.13263	5.7
141.07022	2.7
142.07800	3.1
143.08566	27.0
144.09360	3.5
145.10115	60.0
147.08014	3.5
147.11670	26.9
149.13251	40.2
155.08595	8.0
156.09395	5.4
157.10135	24.2
159.11696	42.0
161.09607	2.4
161.13232	26.1
163.11160	2.2
163.14812	59.2
163.16089	3.2
169.10190	8.8
170.11006	2.8
171.11665	18.6
172.12494	2.5
173.13243	25.7
175.11264	3.3
175.14804	43.0
175.16229	2.3
177.16386	35.5
181.10100	2.8
183.11664	13.3
184.12503	3.3
185.13272	17.4
187.14819	59.7
189.16377	60.6
191.17996	7.8
195.11810	5.5
197.13251	12.2
199.14818	18.7
201.16367	39.6
201.18024	3.1
203.17946	43.7
209.13368	3.0
211.14728	11.6
213.16368	34.8
215.17860	15.0
217.19586	8.5
221.13368	2.3
223.14923	3.6
225.16368	11.6
227.17940	19.2
229.15872	3.0
229.19579	10.7
231.17490	4.4
237.16455	3.0
239.17882	12.6
241.15845	2.3
241.19470	15.8
243.21156	7.4
253.19568	7.9
255.21144	16.3
265.19653	3.1
267.21136	19.4
269.22681	5.7
279.21225	2.5
281.22830	6.8
283.24298	2.5
293.22684	2.5
295.24374	2.3
297.25754	2.7
307.24228	3.2
321.26117	2.0
335.27493	2.7
345.17264	2.8
351.30814	2.9
377.19601	11.3
389.19666	2.3
389.31949	2.4
391.21310	4.7
391.33548	26.3
403.21213	3.8
405.22818	3.8
409.34607	3.0
417.22879	5.2
429.22757	3.2
443.24374	8.3
525.31787	2.3
549.35883	5.3
567.13287	2.9
567.28473	14.2
567.36926	100.0
568.37744	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	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.0
53.03944	5.3
53.90750	3.4
55.05506	14.3
57.07070	4.4
67.05510	22.3
67.05814	4.6
69.03426	4.7
69.07069	16.1
70.64372	10.1
79.05496	27.5
81.07064	31.0
83.04986	4.0
83.08614	7.9
85.79061	2.9
91.05470	31.4
91.84917	3.0
93.07047	40.4
95.04939	9.9
95.08601	30.4
97.06534	4.8
105.07031	54.1
105.56393	3.3
107.08593	32.4
107.57178	3.2
109.06532	6.9
109.10154	22.4
115.05450	5.8
117.07024	12.7
119.08582	58.6
121.06519	5.7
121.10144	42.0
123.08090	10.6
123.11709	8.4
128.06183	8.0
129.06998	12.3
131.08577	27.9
133.10143	37.7
135.08014	4.6
135.11691	14.0
137.09595	5.7
141.06984	5.7
142.07788	12.2
143.08571	34.3
144.09387	5.9
145.10124	42.8
147.08052	6.2
147.11676	13.0
149.09590	10.9
153.06973	3.4
155.08620	17.4
156.09366	11.0
157.10144	32.8
158.10873	5.7
159.08112	3.1
159.11717	23.7
161.13277	5.5
163.11154	6.7
165.06909	5.8
165.09146	10.8
167.08563	11.1
167.10699	19.0
168.09314	9.4
169.10110	22.4
170.11084	4.7
171.11711	23.4
173.13329	19.4
175.11203	3.8
175.14862	9.0
179.08577	9.4
181.10139	15.1
181.12297	4.8
182.10927	8.9
183.11670	20.4
185.13313	17.0
187.14848	7.3
192.09372	4.1
193.10129	15.2
194.10979	6.4
195.11731	15.3
197.13287	15.8
199.14865	12.4
201.12605	3.4
203.14519	3.3
205.10178	4.8
206.11003	6.1
207.11696	13.0
209.13290	23.4
211.14873	15.9
213.12779	3.6
217.10196	4.2
219.11673	6.7
220.12521	6.2
221.13229	11.6
221.15382	19.8
223.14830	5.8
225.16307	3.9
231.11682	3.6
233.13205	9.4
233.15364	7.3
234.14084	5.4
235.14919	7.5
237.16406	6.3
239.17964	5.3
245.13394	7.6
247.14842	8.7
249.16486	4.2
251.17978	5.0
253.19609	5.0
254.75349	3.3
259.14783	5.1
261.16510	8.1
263.18060	5.4
265.19479	8.1
271.14914	4.8
273.16519	5.7
275.17941	6.5
283.20566	3.5
289.19504	6.2
329.22769	4.6
331.24069	4.6
373.67276	3.6
425.28836	4.2
473.34042	10.9
547.39374	13.4
565.40216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4035
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03933	2.7
55.05511	9.0
57.07069	7.3
59.05003	3.0
62.03967	1.6
65.03930	2.9
67.05495	14.5
69.03429	4.7
69.07064	12.0
70.00256	8.4
79.05489	20.6
81.07050	22.5
83.04996	3.6
83.08623	5.7
83.92584	1.6
85.06541	3.0
91.05477	27.7
93.07042	34.9
95.04967	8.6
95.08605	20.6
97.06512	4.7
103.05469	3.6
105.07026	45.2
107.08598	24.1
109.06515	6.7
109.10150	20.4
115.05483	2.6
117.07033	10.8
119.08578	57.0
121.06464	1.9
121.10133	44.0
123.08107	9.7
123.11670	9.1
125.09605	2.8
125.30151	1.8
128.06206	8.9
129.06958	8.9
130.07788	4.1
131.08568	19.7
133.10135	31.9
135.08069	3.7
135.11728	10.6
137.09636	5.6
139.11188	2.3
141.06979	8.2
142.07791	12.9
143.08556	24.6
144.09326	5.4
145.10124	34.6
147.08090	4.9
147.11673	10.1
149.09631	5.6
149.13181	1.8
151.07544	4.1
151.11241	2.4
153.07030	2.4
154.07669	1.7
155.08540	11.6
156.09338	13.0
157.10121	35.9
158.10925	5.5
159.08060	2.8
159.11699	17.8
161.09657	3.4
161.13289	6.2
163.11162	5.7
165.07068	3.3
165.09142	12.4
166.07841	2.4
167.08536	10.0
167.10658	17.2
168.09361	4.8
169.10141	18.5
170.10925	4.7
171.11697	23.1
173.09569	3.8
173.13251	16.7
175.11244	3.2
175.14821	6.4
179.08514	9.0
180.09346	6.6
181.10138	13.2
181.12146	1.9
182.10960	7.6
183.11696	16.5
184.12593	1.9
185.13254	16.3
187.14859	7.5
189.12796	3.6
191.08562	1.8
191.14232	2.7
192.09369	4.7
193.10170	13.0
194.10864	9.4
195.11716	16.5
196.12527	5.6
197.13246	15.3
199.14769	11.9
201.16364	4.7
203.08621	1.9
203.14337	4.6
205.10162	2.7
206.10956	5.7
207.11725	14.1
207.13609	2.7
208.12480	6.8
209.13272	18.3
210.13976	3.8
211.14828	11.9
213.16393	6.3
215.14339	3.8
217.10143	2.8
217.15848	2.9
218.10948	2.5
219.11684	5.0
220.12538	4.2
221.13242	11.2
221.15431	18.3
222.13995	3.9
223.14742	10.1
225.16408	4.9
227.14320	1.9
231.11691	6.2
231.17249	1.9
232.12585	2.9
233.13246	10.6
233.15421	4.4
234.14047	3.4
235.14827	10.3
237.16388	9.0
239.18030	3.9
243.11696	3.3
245.13295	5.4
246.13963	3.4
247.14850	7.1
247.17175	2.5
248.15755	1.9
248.76172	1.8
249.16426	5.5
250.17331	1.9
251.17949	5.1
253.19531	5.6
257.13263	3.0
258.13947	3.3
259.14774	3.0
260.15796	2.7
261.16217	8.3
263.17957	8.2
265.19650	5.6
269.18958	2.1
270.14142	2.4
271.14758	3.9
273.16327	5.2
274.17230	2.4
275.18005	4.9
277.19608	6.3
281.19046	2.5
288.18805	2.3
289.19482	4.5
291.21036	2.2
294.14441	1.9
295.20721	2.2
299.17764	2.8
301.19409	2.3
303.21155	3.6
311.18094	3.1
329.22699	3.1
331.24197	2.8
342.23630	2.0
343.24261	3.5
355.24777	2.0
357.25906	2.9
365.24707	4.9
385.29095	2.3
393.26111	2.2
473.33847	9.8
491.32611	2.4
509.34091	2.3
529.38214	2.2
543.11066	1.8
547.39026	15.9
565.40405	100.0
566.40582	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	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88975	1.4
53.03938	4.7
55.05516	9.3
56.13416	1.6
57.07068	6.7
59.04988	2.6
63.04227	1.9
65.03933	3.0
67.05508	19.7
69.03424	5.5
69.07073	16.5
69.25930	11.7
69.26342	5.4
77.03923	2.2
79.05502	20.7
81.07054	26.9
83.04975	4.2
83.08617	5.8
85.06548	4.0
91.05479	37.1
91.06023	3.2
93.07042	40.1
95.04984	8.0
95.08612	30.0
97.06514	3.3
97.10147	1.7
98.21516	3.7
103.05463	2.6
103.27233	1.8
105.07028	57.7
107.08597	32.9
109.06511	8.2
109.10155	20.0
115.05450	3.2
116.06231	1.8
116.60805	1.6
117.07039	13.0
119.08575	61.5
121.06529	4.3
121.10141	43.3
123.08082	11.7
123.11723	4.3
125.05961	2.4
128.06226	8.4
129.07019	13.7
130.07780	5.1
131.08583	23.4
133.10141	34.9
135.08051	5.3
135.11702	12.2
137.09627	7.9
139.11130	2.5
141.06992	7.3
142.07780	20.6
143.08548	29.9
144.09367	6.1
145.06508	2.0
145.10115	39.1
147.07991	10.4
147.11710	11.9
149.09610	5.1
149.13225	2.4
151.07568	7.1
153.07004	3.2
154.07834	2.6
155.08557	13.2
156.09308	16.4
157.10132	40.4
158.10936	6.2
159.08104	2.5
159.11713	17.4
161.09743	2.8
161.13277	7.2
163.11201	5.1
165.06995	7.2
165.09122	22.0
166.07771	3.9
167.08572	9.0
167.10710	7.7
168.09354	6.6
169.10091	23.0
170.10919	7.8
171.11688	22.5
173.09615	2.2
173.13258	18.4
175.14876	6.2
178.07700	4.0
179.08549	12.7
180.09363	5.0
181.10124	12.5
181.12245	4.7
182.10905	9.6
183.11688	22.1
184.12524	4.4
185.13258	20.3
187.14832	7.0
189.12691	3.3
191.14395	2.8
192.09381	4.7
193.10139	16.7
194.10912	5.2
195.11652	21.1
196.12508	5.8
197.13257	17.6
199.14845	11.3
201.16397	2.9
203.08540	2.8
203.14311	10.2
204.09398	2.3
205.10149	5.7
206.10918	9.5
207.11739	16.6
207.13608	2.9
208.12494	9.1
209.13246	24.2
210.13988	2.6
211.11238	2.7
211.14865	10.9
213.12811	2.5
213.16438	6.5
217.10153	5.8
218.10904	2.6
219.11717	7.2
220.12531	5.1
221.13281	13.7
221.15411	34.1
222.14035	4.9
223.14764	12.0
225.16469	4.9
229.10172	2.5
230.10867	2.6
231.11703	7.2
232.12410	3.4
233.13309	8.4
233.15282	3.4
234.14120	5.0
235.14824	10.9
236.15628	3.0
237.16373	7.4
239.18019	6.3
241.15701	2.2
243.11848	3.8
244.12413	3.9
245.13196	8.9
246.14108	5.0
247.14825	11.0
247.17065	2.3
248.15556	3.0
249.16473	5.1
251.18027	7.2
253.19537	5.7
255.17772	2.0
257.13275	4.2
258.14059	3.0
259.14706	8.9
260.15604	3.9
261.16415	7.7
262.17084	3.3
263.17950	6.3
265.19510	9.3
269.13171	4.8
271.14853	4.4
272.15555	2.5
273.16376	6.0
275.17975	6.4
277.19589	6.3
279.21039	3.1
283.20517	2.3
287.17740	2.7
289.19720	5.1
291.21097	2.9
299.17896	2.4
301.19116	2.2
303.21152	2.7
311.17645	2.3
315.21164	2.5
317.22675	2.4
331.24307	7.4
355.24332	2.8
357.25928	7.1
361.25256	2.1
365.24918	3.1
373.25143	2.5
385.28946	4.7
398.59885	2.1
407.28854	2.2
473.34302	11.9
485.34186	4.6
529.38776	2.3
547.39441	13.7
565.40399	100.0
566.40662	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	565.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
56.36052	0.4
57.03437	0.4
69.03436	3.2
71.04994	1.0
71.09129	0.9
81.03418	2.4
82.34946	0.4
85.02909	6.4
87.04482	1.0
95.66241	0.4
97.02890	5.1
99.04449	5.1
103.03950	5.2
109.02879	3.6
114.40249	0.4
117.05527	0.4
127.03920	100.0
128.04265	0.6
145.04958	4.7
147.04417	0.4
163.06032	1.5
169.05037	0.4
181.04784	0.5
187.06052	0.6
271.08093	0.8
287.05685	0.9
289.09106	0.5
299.05423	0.8
329.06448	0.9
353.06744	0.6
383.07602	0.8
401.08664	0.6
401.13394	0.4
419.09827	1.5
433.13394	1.2
477.28760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1187
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03931	1.0
55.01862	1.3
55.05476	0.5
56.05022	1.3
57.03434	1.1
66.72047	0.5
68.99779	2.0
69.03416	3.1
69.23727	6.5
70.06574	1.7
71.04988	0.8
72.08118	0.8
73.02894	0.6
81.03405	3.7
81.07021	0.8
84.72926	0.5
85.02895	6.1
86.09689	0.8
87.00813	2.3
91.03955	0.7
91.05471	2.4
95.04993	0.6
95.08552	0.8
97.02888	1.9
98.21474	0.9
99.04445	1.0
101.35574	0.5
101.95907	0.5
103.05448	0.5
105.01889	1.2
105.07089	0.7
107.04932	1.3
107.08591	0.5
109.02907	2.7
111.04483	0.6
117.01775	0.5
117.06996	0.6
119.79854	0.5
121.02850	0.7
127.03918	2.5
130.58032	0.5
131.04910	0.6
135.04405	1.3
137.05936	1.2
139.03909	1.2
147.04359	1.0
150.03076	0.7
151.03938	0.9
153.01826	9.1
157.06448	1.5
159.02873	1.5
161.06018	0.9
167.07069	1.3
173.06032	1.1
174.06433	0.6
177.05544	0.6
181.04938	0.7
184.07465	0.6
185.05919	0.7
187.04068	0.8
191.03378	2.2
201.05464	1.3
203.03394	0.9
205.04958	1.9
213.05484	2.0
229.04941	15.2
231.02840	0.8
241.04973	1.3
243.06546	1.9
256.03494	0.6
257.04428	14.1
261.07468	0.7
269.42569	0.5
271.06003	3.3
284.03195	1.1
285.03931	16.4
287.05536	0.7
299.05469	1.5
302.04248	4.0
317.06540	100.0
318.06894	1.1
371.16794	0.6
371.22128	0.7
403.15201	1.1
555.00201	0.6
565.20422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.2
57.03427	13.8
58.62412	9.2
67.05504	58.4
69.07062	29.7
69.86790	50.0
79.05486	50.1
81.03420	12.1
81.07049	61.8
83.08600	11.3
83.77937	6.7
85.02890	10.0
91.05479	34.1
93.07030	50.8
95.04953	20.3
95.08594	32.7
97.02855	13.2
97.06535	16.9
97.10140	11.5
105.07014	47.8
107.05007	8.7
107.08572	33.1
109.10163	9.6
111.08057	12.8
111.99537	7.9
117.07031	17.3
119.08572	22.5
121.10136	29.2
127.03921	10.7
131.08514	18.3
133.10132	15.0
135.11664	19.9
145.10139	23.5
147.11620	10.9
149.13257	24.8
159.11739	21.2
177.12743	18.8
179.14348	9.2
212.90735	8.3
255.15880	39.2
257.19052	13.9
269.17490	100.0
275.20111	18.9
348.37051	8.9
349.23813	48.6
367.24878	19.8
564.36432	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	24.2
57.03432	26.1
60.10327	5.5
61.02905	10.1
62.89915	5.0
67.05502	58.8
69.03415	10.2
69.07055	30.8
70.82951	14.4
75.95648	5.2
79.05487	54.8
79.64034	5.3
81.03413	13.9
81.07048	79.1
83.04995	9.9
83.08612	11.3
85.02897	13.6
91.05465	46.3
93.07038	61.8
95.04960	11.1
95.08595	31.0
97.02866	7.9
97.06506	15.0
97.10140	8.5
99.08058	6.1
105.07017	38.0
107.04929	10.6
107.08600	43.2
107.88232	5.7
109.10131	16.7
111.08073	10.2
117.07003	20.3
119.08582	28.2
120.82217	5.4
121.10110	14.2
123.08084	7.8
125.09634	5.9
131.08574	29.1
131.09390	5.5
133.10110	22.1
135.11685	20.3
145.10068	15.9
147.11670	10.9
149.09584	16.3
149.13235	20.4
159.11697	22.2
163.11180	9.8
173.13286	7.0
177.12733	20.2
179.14359	9.2
244.54965	5.9
255.15894	42.1
257.19006	6.7
259.65448	5.0
269.17447	100.0
275.20041	38.8
349.23715	56.3
367.24744	20.8
508.93771	5.3
509.53357	6.5
530.64514	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01860	5.5
55.05508	16.0
57.03428	11.6
58.14248	4.3
61.02913	3.9
67.05490	48.6
69.03409	7.0
69.07067	23.0
69.07375	4.2
70.09380	17.8
70.93739	3.7
71.04982	8.0
73.27947	3.7
79.05483	35.1
81.03422	6.7
81.07049	86.4
83.04990	7.4
83.08610	14.5
85.02906	8.4
85.06522	4.5
91.05458	29.0
93.07034	31.4
95.04956	17.8
95.08601	28.8
97.02847	7.6
97.06527	12.5
99.08094	4.9
105.07023	39.4
107.04965	13.6
107.08582	26.9
109.06499	39.7
109.10171	12.2
117.06998	7.9
119.08569	27.7
121.06481	4.4
121.10146	23.9
123.08057	13.9
123.11681	7.3
127.03933	11.0
129.61606	4.8
131.08562	16.9
133.10101	26.7
135.08060	8.3
135.11678	12.2
137.05972	5.1
137.09624	5.1
141.06952	4.6
145.10127	19.1
147.11665	29.6
149.09610	8.5
149.13211	11.7
151.11136	6.6
157.10138	5.7
159.11658	11.7
163.11156	10.2
165.12743	6.3
169.10114	4.6
173.13339	6.5
186.62987	4.8
247.20477	6.2
257.19028	8.5
275.20029	83.6
293.21130	17.4
349.23691	100.0
367.24759	60.4
419.24149	6.0
564.36633	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13228	1.4
53.03957	2.4
55.05508	13.9
57.03433	8.2
57.07070	2.4
59.04993	1.5
65.03940	2.9
67.05505	60.3
69.07066	17.4
69.87984	2.5
69.88387	5.2
71.04994	3.8
77.05077	1.2
79.05492	32.1
79.65566	1.4
81.07057	100.0
83.04971	5.3
83.08619	8.7
85.06526	4.3
91.05475	28.1
93.07051	36.0
95.04990	5.9
95.08606	51.1
97.06532	4.9
99.08082	4.0
105.07030	34.0
105.07688	2.7
107.08592	26.8
109.06524	3.4
109.10160	19.3
117.07029	6.7
119.08588	31.6
119.09370	2.9
121.10140	32.2
123.08055	3.9
123.11707	24.3
127.07566	1.4
131.08556	12.1
133.10143	9.6
135.11697	10.7
137.13271	5.5
145.10153	7.9
147.11688	51.9
149.13269	6.0
157.10135	3.0
159.11708	6.3
161.13275	5.8
163.11179	1.5
163.14838	3.8
165.12761	24.8
173.13304	4.8
175.11278	2.3
175.14799	2.7
177.16443	2.3
183.13870	2.5
187.14830	3.0
187.36400	1.9
193.12320	1.8
229.14371	5.1
243.21066	7.7
261.22156	31.1
267.15927	30.1
279.23212	3.9
285.16971	30.8
286.78159	1.5
291.23422	1.7
312.51440	1.6
317.24860	7.5
335.25815	33.3
353.26822	2.1
453.33554	3.1
471.34375	1.8
527.37451	2.2
545.38379	12.9
563.39166	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01867	3.0
55.05263	1.2
55.05508	16.9
57.03435	7.2
57.07062	2.5
65.03927	2.7
67.05501	66.4
69.03416	1.2
69.07061	16.5
69.07414	1.4
69.41341	4.6
69.41764	2.3
71.04987	4.3
73.06543	0.8
79.05487	35.5
81.03418	1.2
81.07051	100.0
83.04985	4.8
83.08612	10.8
85.02874	0.6
85.06542	4.1
91.05473	31.6
93.07037	39.1
95.04951	5.1
95.08598	47.7
97.06522	6.4
97.10162	3.1
99.08097	2.9
105.07021	35.7
107.04961	1.4
107.07865	1.5
107.08588	27.9
109.06527	3.7
109.10149	21.9
111.08024	1.6
112.50278	0.9
113.09595	1.0
117.07008	4.9
119.08575	27.8
121.10133	28.5
123.08092	3.8
123.11697	21.8
125.09655	1.0
127.07532	1.5
129.07030	1.6
131.08559	10.8
133.10110	10.2
135.08093	0.8
135.11678	13.8
137.09636	1.3
137.13234	3.7
142.07942	0.8
143.08534	1.5
145.10114	6.3
147.11678	46.1
149.09607	1.7
149.13232	7.4
157.10152	1.3
159.11676	7.4
161.13232	4.4
163.14828	4.7
165.12733	20.2
169.10132	1.0
173.13237	7.0
175.11256	1.5
175.14838	2.8
177.16411	1.7
179.14311	1.1
183.11920	0.7
183.13800	2.8
187.14784	4.1
188.01987	0.7
193.12303	2.1
198.47643	0.9
201.16496	1.5
229.14310	5.9
233.22571	1.3
243.21088	7.4
261.22116	32.5
267.15894	31.4
277.21722	1.6
279.23102	5.2
285.16959	30.7
317.24707	7.3
335.25790	39.4
353.26718	1.0
389.98145	0.8
453.33633	2.6
471.34863	2.8
517.38879	1.2
518.90149	0.8
527.37256	2.7
545.38354	13.4
563.39136	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40936	1.3
52.92321	1.3
53.03937	3.1
55.01857	1.7
55.05507	14.5
57.03436	9.4
57.07071	2.5
65.03904	2.0
67.05501	60.5
69.07060	21.3
69.91090	8.6
71.04974	3.3
79.05489	36.6
81.07051	100.0
82.74639	1.3
83.04968	5.2
83.08609	9.3
85.06519	4.5
87.31873	1.4
91.05477	29.1
93.06474	2.6
93.07040	39.7
95.04950	5.6
95.08601	52.1
97.06504	5.5
97.10144	3.4
99.08086	2.1
105.07022	35.2
107.08582	26.1
109.06505	5.6
109.10157	22.4
113.05923	1.6
117.06984	3.7
119.08574	27.6
121.09316	2.3
121.10130	28.9
123.08051	2.0
123.11694	24.4
129.07005	2.5
131.08537	11.2
133.10124	10.4
134.61237	1.5
135.11694	12.5
137.13231	5.0
145.10136	10.4
147.11679	45.6
149.13223	8.4
157.10127	3.2
159.11676	5.5
161.13245	6.1
163.14841	3.8
164.05582	1.5
165.12741	25.7
173.13235	8.7
175.11134	2.5
175.14803	3.6
183.13809	3.4
187.14836	3.8
193.12228	2.4
229.14317	7.8
233.22534	1.7
243.21082	8.9
261.22113	41.2
267.15906	33.7
277.21472	1.9
279.23251	4.7
285.16962	35.8
317.24890	8.5
335.25769	50.3
453.33609	2.9
471.34720	1.9
527.37140	4.6
545.38177	17.5
563.39001	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03938	2.7
55.01866	1.5
55.05510	14.2
57.03437	6.6
57.07062	3.2
65.03934	3.0
67.05503	63.7
69.03410	1.1
69.07061	17.1
69.83298	1.0
70.14582	1.9
70.14988	4.2
71.04982	4.3
79.05492	34.8
81.03474	1.2
81.07053	100.0
83.04986	5.4
83.08612	9.3
85.06541	5.5
91.05478	27.3
93.07037	34.8
95.04990	5.1
95.08603	47.5
97.06533	5.7
97.10172	3.0
98.20761	1.1
99.08088	3.0
105.07027	32.1
107.08585	27.0
109.06498	5.0
109.10152	18.7
117.07030	4.1
119.08580	28.4
121.10143	30.4
123.08088	3.4
123.11707	25.7
125.09644	2.1
127.07569	2.3
129.06982	2.1
131.08583	7.7
133.10123	8.9
135.11673	11.1
137.09636	1.4
137.13245	3.3
138.84708	0.9
141.09122	1.5
145.10144	5.7
147.11682	56.2
149.09602	1.3
149.13205	6.2
150.39526	0.9
153.12711	1.1
154.11377	1.3
157.10132	2.1
159.11716	6.4
161.13272	4.5
163.14787	4.8
163.83928	0.9
165.12747	23.7
173.13263	3.2
175.14825	2.0
179.14319	1.3
183.13832	4.2
184.12589	1.0
187.14830	4.5
193.12296	1.7
201.16449	2.0
229.14337	4.9
237.24016	1.0
243.21040	5.6
247.43771	1.1
261.22122	30.2
267.15884	30.5
279.23120	5.3
285.16922	35.1
317.24710	6.8
335.25797	29.2
353.26883	1.9
453.33371	2.4
471.34558	3.5
527.36975	3.5
545.38324	11.2
563.39130	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42041	11.4
51.42297	11.8
55.05503	21.0
60.13887	10.6
67.05503	58.4
69.07066	25.6
71.58631	11.6
71.59085	12.9
79.05496	42.4
81.07054	91.7
91.05476	38.1
93.07047	40.7
95.04978	17.3
95.08592	39.9
105.07021	48.1
107.08591	30.7
109.06513	16.0
109.10176	18.8
117.07022	20.1
119.08558	52.1
121.10127	29.1
123.11708	11.3
131.08597	17.9
133.10115	100.0
141.06873	12.8
142.07652	20.3
143.08548	26.6
145.10095	33.2
147.07913	12.2
155.08577	14.2
156.09393	22.1
157.10155	32.7
158.10919	14.2
159.11629	15.3
169.10194	19.1
171.11659	39.3
173.13269	23.4
183.11702	20.4
194.10658	14.3
195.11688	19.7
209.13225	23.0
221.15471	18.9
280.19998	13.2
299.18146	13.9
471.32791	34.8
563.38513	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01857	0.3
55.84460	0.1
57.03437	0.1
58.76958	0.1
68.99774	0.6
69.03429	0.7
70.53018	0.1
73.65794	0.1
79.05462	0.1
81.03412	1.0
85.02903	1.0
87.00807	0.4
93.07054	0.1
95.04987	0.2
96.02091	0.3
97.02879	0.4
98.21513	0.3
99.04414	0.3
109.02878	0.6
111.04423	1.5
117.01832	0.2
119.04943	1.5
121.06490	1.5
122.72271	0.1
124.01565	0.1
127.03889	0.6
129.58197	0.2
133.02850	0.4
134.03612	0.3
135.04404	0.4
137.05968	0.3
139.03891	2.5
145.06389	0.1
147.04375	0.1
148.05177	2.4
149.05975	1.3
151.03905	0.4
152.01036	1.5
159.02914	0.2
163.03920	1.7
167.03394	8.7
171.08026	0.2
175.03896	6.4
179.03413	0.2
183.08305	0.1
184.03667	0.4
184.05174	0.2
185.04379	0.1
186.97092	0.1
198.06792	0.3
199.07529	0.7
201.05505	0.3
212.04669	0.5
213.05391	0.3
215.06897	0.2
216.07753	0.4
226.06226	0.5
227.06998	1.1
229.04987	0.5
230.05658	0.3
231.06555	0.3
240.04164	1.8
241.05038	0.3
243.06563	0.8
244.07298	1.0
251.70448	0.1
254.05730	0.7
255.06509	5.2
256.07288	0.4
257.04395	1.0
257.06955	0.1
257.07834	0.1
259.09647	3.5
268.03638	0.4
271.09637	0.3
272.06720	2.1
282.05249	1.8
283.06036	0.5
285.04108	0.2
287.09131	1.5
297.07523	0.6
299.05170	0.2
300.06268	5.0
301.06799	0.2
315.08591	100.0
316.08932	1.7
327.08752	0.2
339.08661	0.5
357.09857	0.2
453.04767	0.1
563.25208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12474	0.1
68.99773	0.2
69.03407	0.1
70.06562	0.1
71.04972	0.1
79.43316	0.1
85.02892	0.2
86.09693	0.2
95.04948	0.1
97.09792	0.1
107.04949	0.1
107.08591	0.2
110.03624	0.1
111.04449	0.1
120.08067	0.1
121.73970	0.1
123.00831	0.3
123.04338	0.1
133.02875	0.1
134.03627	0.9
135.04414	0.1
137.05957	0.2
138.03114	0.3
139.05432	0.2
144.05659	0.2
148.05188	0.2
149.05986	0.1
151.03897	0.2
152.01021	0.2
155.04924	0.2
163.03882	0.2
166.02673	0.1
167.03406	4.3
167.04865	0.5
167.07062	0.1
169.01308	0.6
170.03648	0.2
171.04399	0.2
173.05901	0.2
175.03871	0.5
175.07573	0.1
177.05522	0.2
184.03668	3.5
184.05148	0.2
185.05939	0.2
187.07581	0.2
188.08348	0.1
195.04416	0.3
199.07538	0.2
201.05440	0.5
211.03868	0.2
212.04654	1.1
213.05469	0.2
215.07054	0.3
216.07718	0.9
217.05052	0.1
223.03867	0.2
226.05969	0.1
227.06987	0.9
229.04927	1.4
239.03233	0.2
240.04146	1.8
243.06517	2.8
244.07298	2.8
254.05623	0.2
255.03749	0.2
255.06474	3.3
256.07098	0.2
257.04382	0.6
259.09662	1.2
267.02869	0.6
268.03644	1.3
271.06009	0.7
272.06760	1.9
283.06012	3.5
285.03967	0.7
287.09128	0.2
299.05490	3.6
300.06259	21.2
301.06577	0.4
315.08591	100.0
316.08954	1.7
434.75726	0.2
471.54819	0.1
563.32202	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93132	3.9
53.81646	3.4
55.01871	5.6
55.05501	22.9
57.03431	4.3
64.86935	4.2
67.05500	30.1
69.03431	10.9
69.07047	23.5
69.45921	22.3
69.46337	11.3
78.80876	4.1
79.05477	23.9
81.03411	14.4
81.07047	29.4
83.04960	5.2
83.08616	9.2
85.02931	9.8
91.05488	21.4
93.07056	20.9
95.04977	10.7
95.08608	11.4
97.02887	9.1
97.06517	7.1
97.10138	19.2
105.07041	11.9
106.07333	4.9
107.08594	12.3
109.06512	3.9
109.10136	13.2
111.04390	3.9
117.07015	5.8
119.08597	12.0
121.10136	6.2
121.68649	3.7
125.09630	6.9
131.08556	7.9
133.10103	7.3
145.10106	8.9
147.08034	6.6
147.11667	4.7
189.11253	7.2
193.12245	10.9
223.13341	18.0
227.12727	6.4
229.14360	4.4
267.15860	5.3
273.18558	6.8
285.16992	11.5
291.19516	84.9
365.23242	100.0
466.19446	4.2
562.37476	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	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03407	0.2
57.48246	0.1
58.39841	0.1
68.99767	0.4
69.03387	0.5
70.82634	0.3
70.82970	0.2
81.03377	0.5
85.02872	0.6
87.00778	0.3
90.99982	0.2
97.02873	0.3
105.01865	0.2
109.02872	0.3
127.03870	0.5
132.04849	0.2
132.05704	1.9
133.06445	0.3
140.01018	0.4
153.01707	0.3
159.02879	0.3
168.00519	1.6
186.01581	2.5
201.05502	0.2
226.06181	0.4
229.04926	1.1
241.04991	0.3
243.06490	0.2
254.05684	0.7
255.06520	0.2
257.04376	1.8
269.04419	0.6
269.08078	0.6
270.04968	0.4
271.05966	1.4
271.88373	0.2
272.06747	1.5
282.05215	0.7
285.03918	5.9
299.05475	7.2
300.06253	57.9
301.06555	1.2
302.04288	0.4
315.08582	100.0
316.08942	1.7
366.35712	0.2
537.98572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.7
55.05504	23.4
57.03423	9.4
61.02894	5.1
62.14259	4.4
67.05496	58.0
68.99796	4.1
69.03417	9.0
69.07037	15.0
70.17586	17.8
71.04976	4.9
79.05486	43.2
81.03384	12.0
81.07048	69.9
82.07403	5.3
83.04965	12.5
83.08614	7.0
85.02897	9.7
85.06509	8.1
91.05471	40.2
92.05798	4.9
93.07045	42.7
95.04955	11.3
95.08606	22.4
97.02879	5.1
97.06500	6.3
97.10139	8.5
105.07005	30.1
107.04915	6.0
107.08578	38.0
109.06502	7.5
109.10161	42.2
111.04436	4.3
111.08041	5.2
117.06979	9.4
119.08553	18.5
121.06509	4.6
121.10106	13.6
123.11723	13.2
125.09610	10.3
131.08548	18.0
133.10133	52.6
135.08041	7.1
135.11635	8.5
143.08591	4.6
145.10135	6.5
147.11621	5.1
149.09615	5.6
151.11217	26.6
159.07993	5.1
159.11687	6.1
159.75330	4.0
161.09645	7.4
163.11150	8.3
171.11702	6.6
177.09094	4.6
215.12755	6.0
253.14342	100.0
255.26013	4.0
271.15344	15.4
273.18396	12.8
291.19571	18.8
309.26221	4.3
347.25931	8.2
365.23199	68.2
381.14798	5.1
526.35681	5.8
544.37158	11.7
562.37769	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	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.6
55.05510	28.8
56.77011	4.7
57.03436	12.1
61.50711	5.4
65.75918	5.5
67.05176	6.4
67.05505	82.6
69.03413	11.0
69.07054	23.3
71.04981	12.4
71.58285	9.7
73.02839	5.4
79.05500	42.9
81.03403	17.4
81.07062	80.5
83.04974	13.8
83.08593	15.2
85.02913	6.7
85.06525	12.5
91.05476	55.5
93.07040	43.9
95.04936	18.1
95.08605	39.7
97.02892	6.4
97.10163	7.1
105.07034	56.4
107.04972	7.8
107.08595	41.7
109.06520	12.2
109.10162	57.1
117.07003	10.7
119.08571	19.8
121.10127	16.9
122.10436	6.8
123.08044	5.7
123.11696	13.3
125.09607	7.3
127.07520	6.2
129.06981	7.7
131.08592	14.4
133.06465	6.5
133.10126	60.2
135.08057	10.9
135.11655	14.5
143.08549	6.1
145.10104	10.7
147.07965	5.9
147.11673	8.5
149.09596	11.4
151.11150	31.1
159.11697	6.8
161.09624	7.0
163.11224	7.2
177.09145	6.7
187.17285	6.0
253.14381	100.0
268.45798	5.7
271.15399	14.7
273.18555	18.8
291.19357	15.9
333.39847	7.0
354.57660	5.9
362.98901	6.1
365.23224	89.5
452.32281	8.9
533.51599	6.9
544.36932	10.1
561.15344	6.4
562.37872	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	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
51.19713	1.5
53.03943	7.9
55.01868	4.3
55.05506	24.3
57.03433	6.0
57.07058	2.4
59.05020	2.4
59.48314	1.4
65.03933	3.7
67.05499	87.0
69.03423	3.2
69.07065	22.9
71.04595	2.3
71.04993	47.9
73.06571	1.4
79.05489	71.0
79.18205	1.5
81.03426	1.9
81.07051	100.0
83.04980	11.8
83.08614	13.0
85.06554	6.0
91.05479	59.2
91.72054	1.5
93.07041	68.2
95.04961	15.0
95.08604	48.1
97.06530	8.1
97.10150	3.8
98.38721	1.3
99.08103	2.1
105.07026	41.0
107.04971	2.1
107.08588	37.2
109.06538	5.7
109.10153	21.0
111.08068	3.7
117.07005	12.5
119.08571	19.9
121.10134	30.1
123.08099	2.7
123.11688	21.0
125.09652	2.6
128.82549	1.4
129.06990	3.6
131.08554	20.7
133.10129	37.7
133.11081	2.5
135.08092	2.4
135.11688	23.0
137.13235	1.9
139.11157	1.4
143.08543	3.6
145.10098	14.7
147.11659	10.6
149.09676	2.3
149.13226	13.2
151.11182	12.2
155.08604	2.6
157.10129	2.4
159.11687	15.7
160.87567	1.5
161.13211	9.0
163.11234	2.8
163.14928	2.5
167.14325	1.7
169.10115	1.9
171.11714	4.3
173.13329	5.2
175.14722	1.7
177.12804	4.0
179.14333	2.7
183.13799	14.0
185.13211	3.0
187.13309	3.5
187.14864	3.8
191.10573	1.8
195.13843	4.8
227.12933	4.2
227.16438	1.9
234.74998	1.4
239.24652	1.6
243.20966	2.0
246.78830	1.8
253.17929	2.1
259.20584	2.8
261.22220	4.8
269.17572	2.9
275.20160	3.6
283.19208	2.7
285.17017	3.6
293.21152	2.5
318.38699	1.6
333.24347	1.8
335.25995	2.2
363.25345	3.3
437.34103	3.1
455.35425	2.5
503.69684	1.6
517.38818	24.6
529.38831	24.8
536.89819	1.5
543.37128	3.5
561.41272	59.2
562.41315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97075	1.0
51.02386	1.2
53.03936	5.5
55.01859	2.1
55.05507	23.0
57.03434	3.6
57.07067	3.4
59.05015	1.6
65.03933	4.0
67.05499	83.8
69.03426	2.5
69.07065	14.9
71.04987	53.6
74.97681	1.0
77.03916	1.2
79.05487	58.4
81.03441	1.6
81.07052	100.0
83.04980	10.2
83.08620	9.9
85.06541	7.0
87.04451	1.3
91.04890	2.2
91.05473	58.9
93.07037	61.7
95.04966	11.6
95.08600	35.8
97.06522	8.2
97.10168	4.0
97.25233	1.0
98.24030	1.0
99.08111	2.3
102.09906	1.1
105.04533	1.6
105.07022	30.4
107.08587	32.8
107.09287	1.7
109.06536	3.7
109.10140	16.1
111.08091	2.7
115.05476	2.5
117.07018	10.5
119.08569	13.2
119.09210	1.0
121.06442	1.2
121.10137	23.2
122.72142	1.0
123.08065	2.3
123.11704	19.3
125.09599	1.8
129.07039	1.4
131.08568	15.7
133.10124	29.4
133.11073	1.9
135.11673	15.7
137.09663	1.3
139.11162	1.2
143.08559	1.2
145.10085	6.7
147.11665	5.3
149.09573	1.1
149.13245	13.0
151.11162	13.8
155.08594	1.5
157.10158	1.3
159.11687	13.3
161.13252	4.3
163.11227	1.5
163.14816	1.9
169.12332	2.0
171.11658	1.6
173.13322	4.0
177.12839	5.3
177.14079	1.1
183.13791	17.8
187.13287	3.0
187.14827	2.1
195.13734	6.8
201.14799	1.1
227.12918	1.3
227.16347	2.1
229.57706	1.9
257.17560	1.7
259.20651	1.4
261.22275	4.8
269.17566	2.5
283.19186	2.7
285.16821	6.5
299.23788	1.2
317.24683	1.3
335.25876	1.9
363.25366	3.3
427.18497	1.3
491.55148	1.1
493.97949	1.2
504.11563	1.2
517.38879	20.4
529.38770	7.8
543.37054	1.8
561.41479	56.1
562.42169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01868	2.4
55.05506	21.0
57.03427	4.0
57.07070	2.8
59.05002	1.2
61.02919	2.1
65.03927	4.1
67.05501	91.8
69.03432	3.2
69.07065	15.3
69.88993	2.7
69.89403	4.9
71.04989	63.1
78.04723	1.2
79.05488	64.1
81.03430	1.7
81.07052	100.0
81.68398	1.2
83.04979	12.7
83.08624	11.7
85.06537	7.1
91.04897	3.1
91.05474	64.6
93.07038	75.9
95.04984	11.2
95.08602	43.7
97.06525	7.6
97.10193	2.5
99.08092	1.8
105.04520	1.9
105.07026	36.4
107.08585	37.3
107.09296	1.8
109.06525	5.5
109.10149	18.8
111.08086	3.9
117.07009	8.0
119.08559	14.5
121.10148	24.9
123.08048	2.1
123.11710	18.0
125.09628	2.2
131.08553	17.2
133.10115	36.9
135.11687	19.2
145.10138	6.6
147.11688	7.3
149.13243	15.1
151.11154	20.0
157.10107	1.5
159.11691	12.1
161.13248	6.3
163.14842	1.6
165.12808	1.9
167.14467	1.3
169.12173	1.5
173.13266	3.7
177.12782	4.8
183.13792	19.0
183.15335	1.6
187.13283	3.0
187.14804	1.4
195.13779	6.3
213.14838	1.8
214.47659	1.5
227.16486	1.9
253.18130	1.6
261.22171	3.5
269.17563	3.7
283.19113	3.6
285.17075	6.5
335.25787	2.5
361.27527	1.7
363.25296	4.2
517.38818	28.7
529.38733	10.0
561.41547	59.2
561.67395	1.4
562.42035	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
53.21407	1.8
55.01866	7.3
55.05508	20.8
57.03436	10.8
57.07075	2.3
61.02926	2.9
65.03935	4.1
67.05500	59.1
69.03428	16.3
69.07063	20.5
70.04069	8.3
71.04995	5.1
73.02908	16.5
75.04450	2.1
79.05491	45.0
81.03413	14.3
81.07055	100.0
83.04973	10.1
83.08617	11.0
85.02892	10.0
85.06544	4.0
91.05474	46.3
93.07034	46.7
95.04980	7.1
95.08604	41.4
97.02876	5.3
97.06541	7.0
97.10143	4.1
99.04471	6.8
99.08086	2.6
101.06007	2.8
103.44186	1.8
105.07030	63.9
107.08596	30.4
109.02174	2.9
109.02866	19.4
109.06525	4.3
109.10142	18.4
110.03657	2.9
111.04436	21.9
111.08088	2.7
115.48777	1.8
117.07024	10.4
119.08578	44.8
121.10141	30.2
123.08044	4.6
123.11719	25.9
127.03910	9.0
129.06981	4.8
131.08571	19.9
132.99568	5.3
133.10147	27.5
135.11678	16.4
137.13239	4.2
143.08577	5.6
145.10101	14.0
147.10503	3.3
147.11682	69.8
149.09668	3.0
149.13226	10.5
151.00569	3.6
157.10152	7.5
159.11668	12.7
161.13223	19.2
163.11186	3.2
163.14786	4.0
165.12743	20.6
169.10138	2.3
171.11696	5.7
172.99051	2.3
173.11929	1.9
173.13237	9.6
175.11179	3.8
175.14822	10.3
179.14278	2.3
183.13792	2.2
185.13268	6.1
187.14874	4.9
191.00107	9.2
193.12292	2.6
199.14861	3.1
209.01155	4.4
213.16486	2.3
229.14449	6.1
231.21136	6.0
241.19458	20.7
243.21155	3.9
259.20566	35.3
261.22153	7.1
267.15900	17.8
273.21695	2.1
274.02957	2.1
275.20020	3.1
277.21567	3.3
285.16968	34.8
293.65915	2.0
295.92801	2.0
333.24219	25.4
335.25790	8.0
351.25604	3.3
382.88223	2.4
486.24295	2.1
525.36304	2.7
543.36725	9.3
561.27301	11.0
561.37640	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07573	1.8
51.26428	2.0
53.03939	6.1
55.01867	7.1
55.05505	31.7
57.03444	14.9
57.07060	4.2
59.24445	2.4
60.35572	2.2
60.60268	2.2
65.03961	2.4
67.05500	89.3
69.03420	10.7
69.07061	26.8
69.51844	9.7
69.52264	7.1
71.04988	8.5
73.02909	5.9
79.05487	70.3
79.32262	2.0
80.27154	2.0
81.03394	11.3
81.07050	100.0
83.04960	15.1
83.08619	16.0
85.02908	6.3
85.06528	3.9
87.04484	2.7
91.05472	63.9
93.07035	73.0
95.04955	15.3
95.08599	61.0
97.02892	3.7
97.06510	14.1
97.10172	10.6
98.98444	4.7
99.04449	4.4
99.08070	4.0
103.05418	2.9
105.04493	2.7
105.07021	67.6
107.04964	7.5
107.08578	42.5
109.02891	9.9
109.06532	9.5
109.10144	30.1
111.04440	15.8
111.08081	4.0
111.11743	2.9
117.07011	20.1
119.08572	48.5
121.06502	6.1
121.10130	43.2
123.08056	5.9
123.11688	16.8
124.47692	2.2
125.09630	7.8
127.03963	4.3
129.07010	11.4
131.08549	28.6
132.99442	3.5
133.10135	33.8
135.08058	5.3
135.11684	23.5
139.11179	2.5
141.06990	3.1
143.08537	14.0
145.06485	2.5
145.10117	28.9
147.08020	2.5
147.11665	41.6
149.09666	9.2
149.13219	12.7
151.11200	3.9
153.12762	4.3
155.08577	3.9
157.10114	7.5
159.11670	14.4
161.09605	3.7
161.13226	14.3
163.11153	12.2
163.14778	2.8
165.12718	13.6
169.10104	4.5
171.11658	10.1
173.09610	4.3
173.11934	2.2
173.13226	9.9
175.11154	4.2
175.14810	7.2
181.12173	4.6
183.11720	5.1
185.13307	6.6
187.14819	4.2
189.11243	3.1
189.16255	2.4
191.10690	6.1
191.14296	3.3
193.12221	3.9
199.14735	2.7
209.11662	4.1
227.12802	8.7
229.14359	4.0
241.19469	14.4
243.21049	3.1
259.20566	24.4
261.22058	8.7
265.14331	2.9
267.15936	13.3
269.17422	2.8
275.20135	9.9
275.23679	2.1
277.21600	3.0
283.15433	6.6
285.16855	17.2
293.20581	2.2
315.23163	5.4
333.24255	20.7
335.25729	6.6
337.27441	3.7
349.23706	3.8
363.25323	2.8
433.30991	5.6
451.32077	5.5
469.33051	8.5
487.34116	4.8
525.35455	7.1
543.36798	27.8
561.27979	4.1
561.37976	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41112	1.4
53.03927	3.8
53.68574	2.0
55.01855	2.7
55.05507	15.2
57.03426	10.8
57.07058	3.0
61.78929	1.6
65.03925	3.7
67.05502	45.7
69.07059	20.2
69.88792	5.2
69.89204	3.6
71.02481	1.6
71.04984	3.8
75.87507	1.4
79.05066	2.6
79.05492	42.9
79.05959	2.3
81.03407	1.5
81.07052	100.0
83.04951	4.5
83.08603	9.7
85.06528	6.4
85.10509	1.4
91.05473	57.7
93.07035	39.9
95.04951	5.3
95.08594	30.5
97.06502	5.2
97.10162	1.9
98.20800	1.9
99.08076	3.7
101.05933	1.5
105.07024	67.5
107.08578	28.1
109.06513	5.5
109.10165	7.5
111.08098	2.4
117.07000	9.6
119.08573	56.5
120.30939	1.7
121.10131	33.9
123.08025	3.9
123.11693	24.8
125.09676	2.2
127.07557	3.5
129.06981	5.6
131.08533	17.6
133.10106	26.0
135.11668	13.8
137.13179	2.7
141.09103	2.1
143.08511	7.0
145.10135	11.6
147.11674	90.0
149.09656	3.2
149.13272	9.0
155.08635	1.7
157.10095	6.0
159.11699	12.0
161.13246	25.1
163.11098	2.3
163.14790	1.8
165.12735	30.1
171.11659	9.4
173.13235	9.0
175.11214	3.1
175.14781	11.3
175.73132	1.9
183.13782	5.8
185.13257	8.4
187.14883	2.8
189.16469	1.9
193.12267	2.3
199.14830	3.5
229.14259	7.3
231.21078	7.1
241.19499	30.9
259.20554	47.0
260.20663	2.1
267.15863	23.2
276.97653	1.6
277.21609	4.1
285.16919	47.4
304.70193	1.6
315.23071	4.5
333.24176	35.1
337.27325	1.7
351.25269	4.5
450.06503	1.6
469.32727	2.6
471.71201	1.5
525.35742	2.8
543.36749	11.7
561.37537	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70739	1.6
53.03937	5.4
55.01861	5.6
55.05507	21.7
57.03440	9.6
57.07069	4.0
59.04998	1.5
65.03932	2.2
67.05501	62.3
68.95300	1.5
69.07067	17.4
70.03192	1.7
70.10735	8.9
70.20272	1.6
71.04976	6.6
71.08610	3.0
73.02911	2.1
77.03883	1.7
79.05489	51.0
81.03417	5.1
81.06581	3.7
81.07056	68.0
83.04977	5.6
83.08624	12.8
85.06539	3.6
91.05476	26.8
93.07039	79.7
93.07632	3.9
95.04973	13.2
95.08603	79.0
95.76630	1.5
97.02881	3.9
97.06517	5.2
97.10151	2.9
99.04462	5.0
105.07014	22.9
107.04926	10.6
107.08595	45.3
109.06511	3.6
109.10149	23.3
111.04446	2.0
111.08060	3.7
113.64816	1.7
115.05521	1.6
117.06995	13.1
118.98029	1.6
119.08573	22.1
121.06529	5.3
121.10146	27.8
123.11694	7.3
125.05932	2.6
129.07037	3.0
130.07780	2.7
131.08578	9.0
133.10120	11.5
135.08083	3.3
135.11688	59.9
137.13280	2.7
143.08514	3.3
145.09035	3.4
145.10106	37.8
147.11674	8.1
149.13251	7.9
153.12694	1.7
159.11681	6.0
161.13271	5.3
163.11174	55.3
163.14798	5.2
173.13289	4.8
177.12668	2.6
181.12216	9.8
187.14851	3.5
201.16222	2.2
209.11906	2.2
227.12762	100.0
243.20996	5.7
261.22116	27.8
279.23190	2.2
283.15378	42.9
316.25696	2.2
317.24768	8.4
335.25803	51.6
335.29929	3.2
543.36896	25.8
561.40680	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01872	14.3
55.05511	34.7
57.03431	3.6
57.07079	3.3
65.03928	6.3
67.05505	100.0
69.07070	24.4
69.33794	13.0
69.34229	13.9
71.04987	6.2
72.34150	2.7
79.05495	89.0
81.03421	5.2
81.07059	90.2
83.04976	35.3
83.08594	14.3
85.02919	3.1
85.06520	7.4
91.05481	53.8
93.07042	84.8
95.04977	16.8
95.08611	61.7
97.06537	12.0
97.10175	6.4
98.20700	5.2
99.04443	3.7
99.08093	3.4
105.04596	3.1
105.07034	32.4
107.04960	18.0
107.08598	46.7
109.06515	4.3
109.10149	29.4
111.04441	43.7
111.08099	15.4
117.07027	19.0
119.08583	33.9
121.06486	6.6
121.10159	50.0
123.11717	9.2
123.38802	2.8
125.09642	5.1
129.06998	5.5
130.07828	4.3
130.78896	2.7
130.82727	2.4
131.08569	30.4
133.10136	18.8
135.11714	37.0
137.09657	4.6
139.11188	3.1
145.06544	4.1
145.10152	30.4
147.11690	14.4
149.09700	5.4
149.13275	11.9
153.12738	26.8
155.08580	7.5
157.10094	3.0
159.11717	10.8
161.13330	4.7
163.11205	37.5
165.12555	3.0
173.09633	15.8
173.13281	8.1
175.14920	3.1
181.12231	35.1
185.13298	3.4
187.14861	3.4
191.10669	33.1
191.12164	4.2
197.99005	2.9
209.11772	7.2
212.09666	2.6
227.12723	31.4
227.14580	3.0
228.28761	2.6
243.21048	4.6
249.81497	2.6
252.97028	2.5
261.22137	18.3
265.14383	12.6
283.15366	53.3
284.15381	3.2
301.22083	3.3
315.23474	3.4
317.24814	6.5
335.25589	5.9
383.25757	3.3
423.32678	4.5
451.32172	8.9
469.33078	7.8
487.34296	3.0
515.37164	8.2
525.35651	6.1
543.37134	23.1
561.37952	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03946	8.0
55.01865	12.8
55.05505	27.8
57.03434	7.8
57.07059	4.4
59.05020	2.0
64.23668	1.3
65.03146	1.3
65.03935	5.2
66.97289	1.3
67.05501	100.0
69.03421	1.9
69.07068	20.5
69.72537	10.1
71.04990	8.2
77.03907	2.0
79.05488	88.3
79.69189	1.6
81.03417	8.0
81.07053	85.5
83.04973	24.9
83.08607	13.9
85.02891	2.4
85.06543	4.8
91.04901	2.6
91.05475	58.4
93.07040	94.0
95.04964	19.8
95.08603	55.3
97.06507	13.6
97.10180	4.9
99.04447	5.8
99.08085	3.2
105.04509	2.2
105.07027	33.6
105.07680	2.3
107.04951	16.5
107.08591	48.2
109.06522	5.5
109.10153	30.9
111.04432	33.6
111.08092	10.3
117.07016	21.4
118.58672	1.4
119.08575	30.7
121.06515	4.2
121.10140	48.1
123.08035	2.6
123.11718	6.8
125.06026	2.9
125.09655	4.3
129.07007	7.4
130.07825	2.2
131.08548	27.7
133.10130	19.2
133.10960	2.1
135.08032	3.4
135.11681	38.5
136.12076	1.3
137.09573	2.2
137.13293	2.2
139.11179	1.7
143.08548	7.7
145.06456	3.0
145.10107	36.3
147.08054	3.8
147.11693	13.4
149.09628	9.3
149.13264	9.0
151.11215	2.7
153.12743	20.5
155.08577	7.1
157.10150	3.9
159.11694	10.3
161.09669	2.0
161.13234	7.9
163.11185	37.3
163.14871	3.4
165.12796	2.1
171.11726	4.9
173.09612	15.4
173.12009	1.6
173.13229	8.7
175.11134	2.1
175.14847	3.2
181.12225	31.1
181.13696	2.5
183.11650	3.2
185.13193	2.4
187.14838	3.3
191.10655	26.7
197.13354	2.1
199.13141	1.5
201.16504	2.6
209.11729	8.7
227.12764	29.4
243.21165	3.8
245.13742	1.8
248.67216	1.6
259.20523	2.8
261.22144	16.2
263.24014	2.0
265.14328	7.3
267.16083	2.5
275.20160	2.9
277.21576	2.8
283.15375	29.7
299.23737	2.3
301.21866	1.9
315.23264	2.4
317.24960	2.6
327.23059	2.1
333.24210	2.2
335.25882	6.1
349.23929	1.7
451.32111	5.3
469.33127	4.4
487.34637	2.7
515.37518	5.1
525.35876	6.3
543.36823	21.5
561.37897	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.8
55.01868	16.6
55.05501	25.0
57.03429	16.2
57.07069	3.8
57.77668	1.9
61.02929	4.3
63.33427	2.4
65.03922	5.9
67.05498	85.8
69.03084	3.2
69.03426	48.6
69.07070	24.8
70.32725	5.2
70.33125	5.1
71.04971	9.3
73.02913	39.8
75.04478	4.2
79.05486	58.1
81.03410	31.7
81.07051	100.0
83.04971	16.8
83.08599	14.6
85.02901	28.2
85.06556	4.3
89.71822	1.9
90.89722	2.0
91.05475	44.0
91.31787	2.1
92.05819	2.2
93.06467	4.9
93.07030	63.0
95.04959	13.3
95.08597	74.3
97.02879	16.8
97.06524	9.5
97.10166	6.7
98.21421	3.3
99.04453	20.5
99.08086	3.5
103.03945	2.8
103.36528	2.5
105.06393	3.2
105.07034	34.7
107.04990	5.0
107.08585	39.7
109.02872	55.7
109.06474	5.1
109.10153	34.1
110.03649	9.3
111.04432	55.4
117.07020	12.9
119.08579	26.4
121.10137	32.3
123.11722	18.9
125.09657	3.5
127.03911	30.4
129.07072	4.0
131.08563	23.0
132.99533	19.5
133.10130	17.8
135.08096	2.8
135.11678	25.8
137.09688	2.2
137.13254	5.6
139.64397	2.4
143.08530	2.8
145.10118	19.9
146.10513	2.9
147.11705	20.4
148.12067	3.0
149.09622	5.7
149.13234	13.7
151.00616	7.0
151.11205	4.7
151.14877	2.3
155.00076	3.6
157.10130	7.2
159.06601	2.8
159.11688	14.4
161.13242	12.8
163.11111	3.6
163.14839	6.0
165.12755	3.5
169.10056	2.9
172.99004	5.4
173.13248	13.2
175.14760	6.3
179.14293	5.1
187.14789	6.9
189.11116	2.6
190.24936	2.4
191.00067	29.1
193.12282	2.9
203.79933	2.6
209.01137	9.3
227.12703	4.7
240.08150	2.1
241.19061	2.4
243.21164	8.2
249.53389	2.1
259.20401	3.6
261.22095	28.2
269.17242	3.1
275.20172	13.1
279.23224	3.5
317.24576	3.5
335.25751	31.7
469.33041	2.4
543.36462	7.8
561.27087	39.1
561.37195	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	561.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01861	8.5
57.03418	3.6
65.03950	3.6
68.99798	2.4
69.03423	3.8
69.63338	18.2
71.04974	2.9
81.03412	8.2
83.04976	3.1
85.02913	12.4
91.05460	2.9
93.03377	6.5
95.01336	2.6
95.04993	5.3
95.41430	2.2
97.02902	15.3
98.21500	3.8
103.05447	4.6
105.03391	4.9
105.06992	6.4
106.35305	2.3
107.04951	40.9
109.02853	12.8
110.03586	2.8
114.98199	2.9
115.05437	4.3
117.03420	2.3
119.04935	13.8
121.02871	34.4
121.06493	11.3
123.04394	12.7
127.03901	2.6
131.04955	7.4
133.06488	7.6
135.04414	28.9
145.06473	8.5
147.04417	31.7
147.08051	4.9
149.02339	7.2
149.05995	5.4
151.03886	7.1
153.01764	5.3
157.06438	3.7
159.03246	3.0
159.04356	15.7
161.02348	5.2
161.05995	12.5
163.03967	5.4
165.01772	15.9
173.02348	3.7
173.05974	21.3
175.03883	8.8
175.07518	5.2
177.01801	18.5
177.05481	10.3
183.02867	6.4
185.05966	6.6
187.03925	13.0
189.01817	21.2
189.05443	7.6
191.03368	9.2
193.04939	3.8
195.01160	2.9
195.02885	43.0
197.05968	5.4
199.03847	4.1
201.01936	7.0
201.05444	28.2
203.03410	18.4
203.07066	4.4
205.04961	4.8
207.02849	19.8
209.04390	4.3
213.05562	4.6
215.03282	21.0
215.07024	6.4
217.04897	5.6
219.02911	25.3
221.00790	7.6
221.04436	8.2
223.02312	5.3
223.85509	2.9
227.03325	7.5
229.01472	2.7
229.04942	33.5
231.02870	61.3
233.04323	3.7
241.05069	5.3
243.02890	54.0
243.06570	9.2
245.04411	10.7
247.02284	3.5
247.05995	5.7
249.03947	29.4
253.04961	7.1
255.02875	10.9
257.04404	28.7
259.02393	7.5
259.06281	3.4
261.03906	31.1
267.02914	3.0
267.06558	2.8
269.04276	12.1
271.05994	10.3
273.03906	37.0
275.05502	3.7
281.04401	8.6
283.02457	3.4
283.05771	3.0
285.03943	100.0
287.05484	5.5
289.03558	3.3
291.04926	25.8
297.03845	25.4
297.07495	22.3
299.05374	16.5
301.03122	2.9
303.05106	6.6
309.03812	8.8
309.07040	5.5
311.05411	4.0
313.07068	3.3
315.04947	16.6
327.04987	75.6
339.04968	13.2
345.05957	19.6
351.04868	3.7
351.08636	31.2
355.08093	8.1
357.06055	16.9
363.07062	79.2
369.06079	8.8
375.07242	10.5
377.01813	4.0
381.09653	18.1
387.07053	18.6
389.03537	2.9
393.08722	24.5
399.10654	5.9
405.08334	54.0
411.10828	14.9
417.09552	13.1
423.09106	24.4
427.10156	6.4
429.11902	48.5
441.10309	35.3
447.10791	35.0
459.10855	9.7
465.11664	10.7
477.11584	15.7
478.35779	3.0
483.12924	22.1
489.11719	5.9
495.12894	27.2
507.12784	13.0
525.13824	18.0
543.14825	20.8
584.64142	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	561.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57125	0.2
64.03307	0.2
65.96085	0.2
68.99777	0.5
70.70438	0.4
70.70774	0.4
72.06042	0.2
89.34161	0.2
136.86128	0.2
139.05385	0.3
143.04933	0.3
143.14000	0.2
144.05721	0.4
145.02760	0.3
145.06494	0.3
146.03624	0.3
155.04883	0.9
159.08012	0.3
167.04936	1.7
170.03609	0.6
171.04396	0.8
184.05214	0.6
185.05980	0.2
186.06711	0.3
187.07541	0.4
194.36928	0.3
195.04416	0.9
199.07532	0.7
208.91422	0.2
212.04619	2.2
223.03868	1.1
225.05405	0.5
227.07051	1.4
240.04137	6.0
242.05710	0.4
253.04945	1.2
254.05669	0.3
255.06500	7.8
256.06882	0.4
257.08063	1.7
268.01184	0.1
268.03653	5.5
270.05106	1.3
283.05984	8.5
285.07593	0.3
298.04688	5.9
313.07028	100.0
314.07339	2.5
317.72473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05841	8.8
55.05513	22.5
55.71157	8.2
57.07065	12.3
66.09768	8.5
67.05495	60.2
69.07062	34.9
69.19736	8.9
69.35479	100.0
79.05482	68.6
81.07055	73.5
82.05251	9.2
83.08604	16.0
91.05498	54.7
93.07035	76.0
95.04964	24.8
95.08603	43.7
105.07008	28.5
107.08603	25.7
109.10143	19.5
111.08133	9.7
117.07025	20.5
119.08595	33.5
121.10133	20.7
131.08607	15.4
133.10188	15.5
135.11639	14.4
145.10143	11.5
147.11693	37.9
149.09550	12.6
157.10170	12.2
171.11728	18.6
171.65848	10.6
193.36784	9.7
204.21469	10.6
207.13875	16.4
209.33638	11.2
273.65131	9.6
275.90552	9.6
275.95221	11.0
281.17520	20.6
335.25732	41.3
541.38751	36.9
559.43689	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01856	10.6
55.05503	27.4
57.03424	8.3
58.58333	5.0
59.48434	4.5
67.05498	84.1
69.07062	33.3
70.25159	7.2
70.25495	22.4
79.05489	90.0
81.03404	12.4
81.06593	6.6
81.07053	90.8
83.04955	8.2
83.08613	14.1
85.06535	8.4
91.05478	60.7
93.07040	100.0
95.04951	24.3
95.08592	54.0
97.06507	9.2
97.10092	7.9
97.22075	5.0
98.20815	5.5
105.06998	45.5
107.04937	9.7
107.08582	32.9
107.52747	4.9
109.06504	10.1
109.10139	26.3
117.06998	12.3
119.08547	36.2
121.10111	25.0
123.08060	10.2
123.11692	6.3
129.07025	17.7
129.24123	5.3
130.07794	5.1
131.08554	20.1
133.10133	26.6
135.11679	21.2
143.08563	7.1
145.10124	22.6
147.11696	32.1
149.09647	6.9
157.10033	5.8
159.11638	13.6
161.13245	13.3
163.11102	8.0
169.10066	7.4
171.11664	18.0
173.13272	9.7
179.14296	5.3
189.12776	8.5
190.26280	5.7
207.13753	14.5
242.49907	5.4
261.22122	12.9
275.19989	13.0
279.16010	7.1
281.17441	22.6
312.97061	6.5
335.25665	23.4
344.56622	5.6
377.87976	5.6
397.37543	5.6
449.34274	6.8
541.38916	54.8
559.39148	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.05515	27.9
55.72566	4.2
57.03434	9.4
63.96841	4.8
64.16512	6.0
67.05170	8.0
67.05505	93.5
69.07061	24.5
71.28312	4.5
71.31403	7.0
79.05490	100.0
79.05957	5.9
81.03431	6.8
81.07054	79.8
83.04979	9.4
83.08611	16.8
85.06494	4.9
91.05476	56.4
91.81159	8.5
93.07040	88.6
95.04984	22.2
95.08601	65.1
97.06527	8.7
98.34209	4.4
105.07030	47.4
106.81857	4.7
107.04948	6.5
107.08594	35.7
109.06551	7.4
109.10167	21.3
117.07018	15.9
119.08611	29.2
121.06528	5.0
121.10146	19.0
123.08025	6.5
123.11687	8.3
129.06976	15.2
131.08580	23.5
133.10130	21.6
135.11656	16.5
135.33827	5.0
143.08554	13.2
145.10133	19.1
146.21544	4.9
147.11702	31.6
149.13193	7.6
159.11703	12.8
161.13281	16.5
161.21852	4.8
167.95674	4.6
171.11667	29.5
173.13327	7.0
189.12740	8.0
207.13698	24.8
243.21072	7.5
261.22147	19.4
263.23596	5.4
279.15909	6.1
281.17471	34.1
335.25879	24.2
337.90009	5.8
449.34268	5.9
467.35431	8.4
471.15878	5.1
485.36121	6.1
541.38977	63.7
559.40247	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.3
55.01872	9.7
55.05510	65.5
56.85982	3.5
57.03421	7.2
57.07051	7.4
57.13157	3.5
59.04984	5.8
65.03948	5.7
67.05503	92.0
67.55103	3.5
68.61443	3.3
69.03413	7.2
69.07077	32.4
69.70023	27.2
71.04985	8.5
71.62422	3.5
75.51994	3.7
77.74336	3.1
79.05489	75.2
80.56712	4.6
81.03416	7.9
81.07053	86.8
83.04983	6.7
83.08616	26.6
89.51607	3.7
91.05482	70.8
91.06026	7.5
93.07042	82.0
95.04975	15.6
95.08601	50.6
97.02951	4.6
97.06515	7.7
97.10164	25.3
99.00822	8.9
105.07032	54.1
107.04949	12.3
107.08582	46.9
109.02847	6.3
109.06524	10.5
109.10146	26.9
111.04435	5.9
111.08138	4.3
115.01141	3.9
117.07001	20.7
119.08575	41.1
121.06487	10.4
121.10139	31.6
123.08032	4.8
123.11670	9.9
125.09625	16.2
129.06975	9.9
131.08540	33.9
133.06412	6.7
133.10126	56.0
135.08083	6.2
135.11679	21.5
137.09544	4.7
141.06992	4.4
143.08536	16.2
145.10098	22.9
147.11673	19.8
149.09610	5.5
149.13249	15.6
151.11165	9.0
155.08482	5.0
157.10159	11.4
159.11673	16.3
161.09625	19.5
161.13243	9.8
163.11258	9.6
169.10178	10.7
171.11719	11.2
173.13263	15.0
175.11014	3.7
175.14742	4.3
179.10699	6.7
183.11685	10.4
185.13252	7.8
188.09117	3.6
189.09177	6.3
189.11201	8.8
197.11635	4.0
197.13297	6.0
199.14812	6.3
207.10175	4.2
225.11188	16.3
227.12747	8.6
259.20523	7.4
261.22086	9.7
273.18600	5.9
275.20111	6.3
281.13898	9.9
287.23471	5.8
291.19583	11.4
297.22073	5.1
313.21796	3.8
315.23132	18.0
333.24094	5.6
352.89636	3.9
421.31067	6.8
439.32144	8.7
449.30750	10.7
457.33228	4.4
460.34903	4.1
467.31396	33.1
485.32724	15.1
513.35645	17.1
515.37634	5.4
531.36829	12.4
541.35248	55.5
559.36212	100.0
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
53.03946	4.7
55.01865	5.7
55.05505	20.4
57.01403	1.7
57.03432	7.6
57.07058	2.8
58.81228	1.3
65.03922	1.9
66.13747	1.7
67.05499	38.8
69.03432	2.7
69.07061	16.0
69.82930	2.3
69.83335	6.5
71.04984	6.6
73.02895	2.5
79.05490	55.7
81.03416	7.5
81.07053	49.9
83.04978	5.5
83.08609	17.0
85.06529	2.5
91.05477	44.7
93.07039	67.9
95.04967	15.1
95.08600	52.3
97.02879	4.6
97.06495	9.0
97.10149	3.6
99.04436	3.7
99.08101	1.6
103.05457	3.5
105.07024	42.9
107.04937	13.8
107.08590	45.3
109.06525	5.6
109.10151	8.8
111.04420	1.8
111.08076	3.5
113.05988	1.5
115.05431	2.5
117.07008	21.5
119.08574	39.9
121.06478	8.4
121.10147	25.4
123.08068	1.9
123.11695	1.5
125.05970	2.8
125.09612	3.3
129.07002	9.1
130.07803	3.6
131.08565	16.7
133.09233	2.7
133.10135	27.5
135.08064	3.6
135.11685	53.3
138.12373	1.5
141.07013	1.7
143.08546	8.0
145.10109	39.2
147.08043	2.3
147.11682	26.1
149.09560	3.7
149.13226	7.6
155.08501	2.0
157.10092	6.3
159.11711	11.4
161.13268	23.2
163.11172	55.6
163.14864	3.1
169.10132	2.6
171.11642	8.5
171.50580	1.4
173.13223	10.0
174.77034	1.5
175.14841	13.0
177.12845	2.3
181.12244	12.0
183.11617	2.2
185.13261	7.9
187.14859	3.8
189.11325	1.8
189.12834	2.1
193.12206	1.8
199.14752	3.2
200.09547	1.6
209.11673	2.4
213.16429	1.8
215.18028	2.4
217.19557	1.5
227.12769	100.0
231.21034	5.2
241.19501	33.3
259.20557	59.1
273.18491	3.3
275.19946	6.3
283.15356	39.3
291.19568	4.3
299.19812	1.7
315.23172	4.4
333.24213	48.1
333.28210	2.8
351.25577	1.9
426.84433	2.1
449.30231	2.2
467.31680	2.7
474.05243	1.5
541.35321	16.9
559.36725	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	559.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90398	11.0
55.01862	12.4
55.05499	44.1
57.07063	10.7
67.05485	35.3
67.88765	11.3
69.03432	56.0
69.07063	83.3
70.62374	34.0
70.93535	11.5
79.05471	23.4
81.03401	23.2
81.07038	100.0
83.04988	17.9
83.08604	39.3
85.02894	66.7
85.06528	17.4
87.00816	28.6
91.05440	12.7
91.94324	11.6
93.07034	33.3
95.04967	12.7
95.08612	79.1
97.02882	28.4
97.10146	19.2
98.97549	21.5
105.01864	20.5
105.07024	27.4
107.08581	22.5
109.02872	23.6
109.10133	51.9
111.11735	27.4
116.98650	17.1
119.08617	22.1
121.10155	21.6
123.11710	34.4
127.03911	33.4
133.10104	15.8
149.13245	20.1
151.14819	12.1
157.10112	13.3
166.57242	12.1
166.58734	13.7
177.00697	13.7
177.16301	13.8
202.73505	11.7
229.95486	10.8
250.90099	12.9
291.26685	16.7
292.27124	17.0
293.28110	28.1
327.27368	14.5
353.20111	18.8
499.29733	21.7
535.11169	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	559.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01866	9.1
55.05508	17.4
57.02823	2.8
57.03429	6.5
57.07070	9.1
67.05507	33.0
69.03419	31.8
69.07065	52.3
70.06567	3.8
71.04981	6.1
71.57771	5.7
73.02921	5.5
79.05495	18.2
81.03419	28.5
81.07061	81.0
83.04985	4.1
83.08601	33.0
85.02901	59.1
85.06546	14.1
86.09654	2.5
87.00828	23.4
91.05474	12.2
93.07034	21.3
95.04961	9.4
95.08604	100.0
95.94981	3.2
97.02885	23.3
97.10164	18.9
99.04454	11.7
99.08110	6.6
105.01854	17.3
105.07021	14.2
107.08595	17.4
109.02881	19.8
109.06469	3.4
109.09466	5.0
109.10152	56.8
111.04464	3.1
111.08065	5.7
111.11681	14.9
114.31759	2.8
115.03966	2.9
116.31380	2.7
117.77991	2.5
119.04671	2.6
119.08580	10.4
121.10151	12.9
123.11706	29.2
125.09565	4.1
125.13269	12.0
127.03930	32.4
129.01711	3.5
129.12776	3.6
131.08588	6.8
133.10123	7.1
135.08046	4.3
135.11685	12.2
137.05956	6.3
137.13248	11.2
139.14690	3.1
143.08586	4.1
143.14343	5.1
145.04942	7.1
145.10130	6.6
147.04350	3.5
147.07967	3.5
147.11703	5.4
149.13232	23.7
151.14812	30.0
157.10117	8.2
157.15889	3.6
159.02888	6.7
161.09567	3.9
163.14835	11.1
165.16386	12.1
177.16374	4.5
179.18015	3.9
185.13431	3.7
191.17766	4.7
193.19586	3.9
219.21036	3.6
231.04942	7.0
237.44438	3.6
249.25764	8.0
267.26727	9.0
273.18423	3.2
275.27316	15.2
293.28418	22.1
311.29437	27.2
321.28287	3.3
354.56604	2.7
401.30341	4.8
559.26959	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	559.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64886	5.1
53.03939	10.4
55.01863	11.5
55.05506	26.3
57.03425	5.5
57.07053	17.6
57.43009	4.4
61.02918	5.5
67.05498	49.9
68.99771	5.3
69.03429	26.0
69.07066	54.1
70.77865	11.7
71.04963	6.8
79.05484	22.6
81.03422	34.5
81.07053	87.9
81.61003	5.9
83.04985	6.6
83.08643	29.7
85.02901	56.7
85.06525	11.2
87.00808	19.9
91.05493	26.8
93.07036	38.9
95.04948	10.7
95.08059	7.6
95.08611	100.0
97.02886	21.2
97.10149	20.5
99.04461	9.1
99.08091	14.3
105.01868	24.6
105.07030	23.0
106.07345	5.3
107.08603	24.5
109.02860	23.7
109.06483	11.8
109.10155	56.6
111.08054	7.9
111.11717	14.1
117.07036	5.3
118.47479	6.8
119.08576	24.7
121.05083	5.1
121.06509	6.7
121.10135	21.7
123.08047	5.4
123.11697	27.6
125.09630	8.3
125.13252	5.2
127.03912	35.6
128.06210	6.2
131.08487	8.7
133.10136	9.1
135.11658	11.5
137.06073	6.7
137.13243	12.5
145.04941	8.0
145.10097	7.8
147.11653	9.6
149.09608	7.6
149.13226	11.9
151.14818	20.1
159.02867	6.4
159.11650	11.5
161.13284	5.5
163.14807	14.0
165.16327	5.6
169.09991	6.8
171.11664	7.5
179.17926	6.3
231.04941	7.3
267.15854	6.3
275.19962	8.9
275.23343	4.7
275.27362	11.4
286.11017	5.0
293.28259	18.0
311.29355	23.0
340.06720	4.8
446.29428	5.7
541.35510	7.5
559.35944	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.4
55.01853	7.3
55.05513	20.1
55.08861	1.7
57.03417	6.4
57.07072	10.3
57.27727	2.0
57.84148	2.0
61.02915	5.5
65.03925	2.7
67.05183	2.3
67.05500	30.3
68.99777	3.7
69.03422	21.6
69.07060	47.1
69.33562	3.9
69.33958	16.3
71.04974	4.0
71.08617	6.7
73.02887	4.3
79.05485	13.9
81.03411	22.5
81.07048	80.0
83.01282	2.3
83.04974	3.6
83.08612	26.9
85.02897	62.0
85.06535	10.7
87.00822	25.6
91.05481	11.0
93.07040	20.6
95.04945	5.6
95.08601	100.0
96.08927	3.8
97.02873	19.2
97.06506	3.3
97.10183	16.0
99.04469	9.8
99.08092	6.8
105.01855	19.4
105.07032	9.3
107.04948	2.9
107.08607	17.3
109.02868	17.0
109.06496	3.0
109.10145	53.1
111.04406	3.8
111.08069	5.7
111.11721	17.8
113.09598	2.7
119.08573	9.4
121.06482	4.3
121.10133	10.7
123.03030	2.0
123.04420	15.7
123.11691	31.5
125.09643	2.9
125.13265	4.5
127.03901	36.6
129.01830	2.4
129.07047	2.6
129.12718	2.3
131.08566	3.9
133.10097	5.1
135.08072	2.7
135.11722	9.6
137.05981	3.0
137.13255	15.2
139.14760	2.2
143.08629	2.4
143.14265	5.9
145.04932	9.9
145.10120	5.2
147.08038	2.2
147.11641	5.6
149.09590	2.2
149.13258	24.7
151.14796	28.2
157.10103	5.1
159.02870	8.3
159.11661	2.8
162.75508	1.8
163.14796	12.9
165.16365	10.0
167.06979	11.2
169.10179	2.7
173.13254	2.1
177.16389	5.0
179.17931	8.4
191.17943	2.3
193.19417	3.0
197.18965	2.4
205.19501	2.5
211.14850	2.4
215.34985	2.0
219.21025	4.7
231.04889	5.5
233.22812	2.7
237.22040	2.6
241.04988	4.2
249.25687	6.6
267.16098	2.1
267.26852	9.9
269.04431	12.0
275.27335	15.9
293.28418	25.3
311.29443	31.0
340.70944	2.0
383.29468	2.4
401.30460	3.6
405.09326	2.2
425.79364	2.2
480.41223	2.5
481.08914	2.4
541.34796	2.2
559.27368	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	559.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01857	1.0
55.05491	4.6
55.28716	1.2
57.03434	39.5
58.81314	1.0
61.02919	8.6
69.03403	1.0
69.07038	1.6
70.06492	6.4
71.04965	3.7
72.02283	1.2
75.04480	2.4
76.45748	1.2
79.05481	2.8
81.03416	6.2
81.07064	2.1
83.04958	1.9
85.02892	8.3
87.40814	1.1
91.05463	3.9
95.04980	1.7
99.04449	19.4
103.03935	15.4
103.05443	2.0
105.06993	5.2
106.04128	1.2
107.04945	6.8
109.02867	10.5
115.05398	2.0
116.98548	1.6
117.05486	100.0
119.04933	2.0
123.04391	1.6
127.03918	17.1
128.06195	2.6
129.06989	17.4
131.04909	3.4
133.06454	3.5
134.99655	1.3
137.05959	2.7
144.05687	1.9
145.06421	2.3
146.07292	1.4
147.04395	2.2
147.07991	1.2
151.03932	1.2
153.05461	3.6
155.04901	4.7
157.08600	6.8
159.06718	2.1
159.08025	9.8
161.05965	8.6
161.09679	1.4
165.05548	1.2
167.07040	17.0
167.08463	1.8
175.07487	3.6
177.05486	1.2
178.07776	2.2
183.06516	3.4
186.06773	1.7
187.07533	33.7
189.07008	2.7
189.09146	1.4
189.93642	1.1
190.07892	1.4
191.08578	2.0
193.10054	1.2
201.07573	26.9
201.09343	1.7
202.07813	3.0
203.08539	4.4
205.06551	2.9
206.07257	6.7
217.06522	2.8
218.07271	2.9
219.08470	11.0
220.08859	1.6
221.06224	1.5
221.09596	8.6
223.07579	3.1
231.08002	2.6
233.05994	1.8
233.09601	1.4
234.06726	7.7
235.07526	4.3
237.09273	1.5
245.06026	2.2
247.07585	3.1
248.08313	3.7
249.09099	14.2
250.06354	1.5
250.09807	2.2
251.07076	6.2
253.08554	1.3
262.06259	2.9
263.07083	1.6
263.10486	1.9
264.07822	2.3
265.08566	5.5
265.76495	1.2
266.09256	5.4
275.06894	1.6
276.07822	1.2
277.08481	7.9
278.09387	2.1
279.06464	3.8
279.10120	3.3
280.11002	1.3
281.08838	1.2
281.11691	26.7
283.09576	1.8
291.09723	1.8
293.08023	4.0
293.11496	1.2
294.08801	6.1
295.09506	2.0
297.11105	1.9
307.09726	3.3
308.10327	1.9
309.07684	2.4
309.11166	30.2
310.11893	3.2
311.09131	4.6
321.11371	1.7
325.10696	2.1
326.11447	18.1
339.12234	16.9
340.13007	19.4
341.13809	91.2
342.14105	2.6
347.12820	2.0
365.13861	1.7
367.15570	1.2
379.15384	2.7
382.13513	1.3
383.14764	2.7
397.05838	1.2
415.17352	13.0
559.28259	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	559.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01860	3.8
57.03424	6.0
59.07504	1.6
61.02912	4.5
65.03917	1.6
67.05495	2.3
68.85962	1.6
68.99790	3.5
69.03429	23.8
69.68318	1.8
71.02071	3.8
71.04986	3.4
73.02909	7.2
79.05486	3.7
81.03417	23.0
81.07027	1.8
83.04949	2.0
85.02905	43.1
86.09676	2.8
87.00820	21.6
87.04465	2.4
91.05463	7.6
93.07056	1.7
94.04165	3.0
95.04952	2.9
97.02895	19.6
99.04446	6.4
103.03915	3.3
103.05463	4.2
105.01852	8.8
105.07035	7.5
107.04964	4.4
109.02872	18.3
109.06510	4.2
111.04462	4.2
115.03916	4.8
115.05453	5.0
117.01851	3.7
117.06987	2.9
119.04971	3.7
119.08572	3.9
121.06515	1.6
122.03654	7.1
127.03901	27.0
128.06236	3.6
129.01840	5.1
129.07016	5.3
131.04926	6.8
132.05669	2.3
133.06497	4.2
137.05975	86.5
141.07031	10.1
143.05008	1.8
143.08508	1.9
145.04924	10.3
145.06483	3.3
146.03687	3.4
147.02924	2.3
147.04402	1.7
147.08055	4.7
149.05959	3.7
149.09813	1.8
151.03917	12.8
151.07503	12.0
155.04922	8.3
159.02896	10.5
159.08070	3.3
160.05211	3.3
161.05974	22.0
162.06746	1.9
163.07562	6.6
169.06458	14.1
175.07565	24.5
177.05449	3.1
177.06969	1.8
179.08540	1.7
181.06381	2.3
185.05919	3.1
186.06754	4.1
187.07544	20.5
187.11098	1.8
189.03914	2.4
189.05476	4.4
189.07028	4.5
189.09007	1.9
190.07762	8.8
191.06993	3.7
191.08536	19.0
195.08057	1.7
196.05318	1.8
197.05965	4.3
199.07588	13.1
201.09132	5.8
202.07820	3.6
203.06964	2.6
203.08571	4.4
205.06523	3.5
205.10152	2.7
206.07285	2.1
207.08061	4.0
208.08781	5.6
209.10138	4.1
211.07579	4.7
213.09161	2.3
215.06841	2.3
215.08595	7.4
217.06471	1.7
218.07257	8.2
219.08040	33.4
220.08809	5.9
220.12315	2.0
221.06119	3.4
225.05467	1.5
229.08540	13.8
231.05020	3.9
231.08041	7.0
232.08849	3.8
233.06013	2.4
233.09630	7.0
234.06781	2.6
235.07549	6.6
236.08290	10.5
237.09138	3.9
239.06914	1.7
241.08641	3.6
242.07240	2.6
243.08055	7.4
244.08873	2.5
245.09622	3.5
246.06766	3.7
247.07504	17.4
248.08257	5.0
249.09097	6.9
250.09879	3.5
251.07008	3.7
251.10670	37.2
253.08592	3.7
255.08035	2.8
259.07581	6.8
260.08252	11.3
261.09122	8.9
262.06207	1.9
263.06998	3.4
263.10721	3.1
264.07791	10.0
265.08606	6.7
265.12085	1.9
266.09415	2.3
267.10324	3.2
269.12463	2.2
271.07361	8.4
272.08405	3.9
273.09116	3.8
275.07434	2.8
275.10681	9.0
276.07828	4.6
277.08655	9.1
278.09265	4.9
279.10162	44.0
280.10754	6.3
281.08148	4.8
281.11804	3.1
283.09787	2.4
283.13159	1.7
287.11002	1.9
288.07724	7.3
289.08527	8.9
290.09146	2.6
291.10077	8.0
292.10822	3.2
293.08258	2.3
293.11591	3.9
294.08823	4.1
295.09705	5.8
296.10416	7.2
297.11264	3.7
298.09753	1.9
299.10349	2.1
300.07651	1.7
301.08716	2.7
302.09204	3.1
303.10120	23.1
303.13391	2.2
304.10703	4.4
305.07986	2.9
305.11569	1.8
307.09698	2.1
307.13177	3.3
308.10538	3.0
309.11404	9.9
311.12473	100.0
313.08514	2.5
315.09991	3.5
317.11658	3.5
319.09671	2.2
320.10431	6.3
321.11115	16.9
322.11850	1.8
323.12766	20.1
325.14264	3.7
326.09473	2.4
327.10345	2.6
331.09729	1.8
332.10483	2.1
333.11276	7.7
335.12744	23.2
337.14316	3.8
341.11578	3.7
345.11295	4.7
347.12720	5.2
353.13855	27.2
358.12012	1.9
359.12762	5.7
365.13672	4.6
369.11346	3.7
377.13922	6.9
401.13831	16.5
419.14664	8.7
437.16016	2.1
473.18149	2.7
497.18246	3.1
505.14880	1.9
515.19916	2.0
523.15656	5.5
541.16864	5.2
559.19336	11.9
559.30835	2.2
585.63684	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	559.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62556	1.4
69.03429	15.3
69.62473	2.9
69.62895	6.5
74.95540	1.2
84.04498	17.7
85.02887	4.6
88.03976	1.5
95.01299	5.5
112.03967	20.7
113.02370	9.9
119.01965	1.6
119.04970	1.3
121.01646	2.9
128.03403	2.0
130.04984	6.1
130.92204	1.1
138.58565	1.2
145.01649	2.2
146.04491	4.1
147.03297	2.3
147.04398	6.4
155.04526	4.1
161.02979	1.4
163.02698	1.9
171.03255	2.4
177.05476	1.6
184.38504	1.4
187.02701	3.5
187.04462	1.5
189.04349	3.5
199.03462	10.7
201.04211	1.2
205.03729	1.7
217.04552	100.0
218.04889	1.5
233.03210	2.0
245.05064	1.5
247.04863	3.4
248.95927	1.2
277.02261	4.4
295.03458	1.8
307.03784	2.0
361.04300	1.5
379.05557	2.8
397.06842	1.9
510.58627	1.3
534.26422	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	559.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71247	5.1
52.89485	5.3
55.01862	10.1
55.05506	6.0
56.96544	7.3
57.03429	13.6
61.02920	5.6
67.05487	9.1
69.03419	17.7
69.07052	8.4
70.06596	11.8
71.04975	24.4
72.08143	10.5
78.78202	5.5
79.05511	12.6
81.03423	33.5
81.07037	11.1
81.63216	4.9
83.04954	10.6
83.69228	5.2
84.04491	7.3
85.02908	69.2
86.09696	20.1
87.00821	19.4
87.04451	5.5
91.05468	17.8
93.07036	10.7
95.04965	11.7
97.02905	25.0
97.06505	6.9
97.99657	5.8
98.21539	11.3
98.67010	5.5
99.04443	18.2
100.15118	5.0
103.05422	10.9
105.01837	12.3
105.07028	15.7
109.02853	18.4
109.06522	7.0
115.03936	5.9
115.05447	6.4
117.05473	13.1
117.07014	8.2
119.08533	8.3
127.03970	29.9
128.06227	5.6
129.05479	9.2
131.04929	10.3
131.08586	6.7
133.06493	7.1
133.10138	5.8
137.05002	8.9
137.05968	91.2
145.02798	6.2
145.10109	8.5
147.04419	6.8
147.07898	6.9
151.03882	14.5
151.07542	13.0
155.04918	8.0
159.02870	5.7
159.11746	5.9
161.05992	25.4
163.07524	6.8
169.06424	13.4
175.06252	5.2
175.07564	31.8
177.05464	8.6
179.84003	6.4
186.06699	6.9
187.07527	19.8
187.11084	6.7
190.07767	9.8
191.06998	7.3
191.08565	11.7
199.07532	15.3
218.07188	8.0
219.07982	31.4
229.08524	18.7
235.07469	7.7
236.08298	6.1
243.08122	8.4
244.08812	6.1
247.07458	13.4
249.09138	7.6
251.10649	25.6
259.07526	7.7
260.08279	9.4
261.09088	10.1
265.08527	8.0
275.10626	11.0
277.08444	7.5
279.10110	31.9
280.11060	6.1
281.08121	5.9
291.10013	12.2
291.19376	8.0
303.10025	16.8
311.12790	100.0
321.11142	11.8
323.12695	22.4
333.11401	11.1
335.12735	21.4
353.13754	21.4
359.12671	7.2
380.63092	5.7
401.13733	14.0
419.14944	6.2
523.16412	5.8
559.17389	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.5
53.25223	2.3
54.22461	2.1
55.01850	4.4
55.05505	10.1
56.74291	2.0
57.07053	3.0
62.31354	2.2
65.03931	5.0
67.05504	64.9
69.07063	11.0
69.25964	8.2
69.26385	16.9
71.04991	4.0
79.05497	46.1
81.03415	19.6
81.07056	65.4
83.04488	2.4
83.04964	6.0
83.08611	8.5
91.05482	35.2
93.07040	49.9
95.01342	3.4
95.04974	17.2
95.08609	39.0
101.13541	2.3
103.05472	3.5
105.07035	18.4
107.04961	25.0
107.08600	29.5
109.06513	4.0
109.10155	9.1
117.07016	16.7
119.04974	2.7
119.08567	10.4
121.06501	6.7
121.10124	12.2
123.08047	12.8
123.11705	4.9
129.06938	3.0
131.08565	19.4
133.10139	13.4
135.07928	3.2
135.11696	26.4
141.06990	5.4
145.06468	12.9
145.10146	7.4
149.13248	14.5
154.07727	2.3
157.10074	3.0
159.11739	17.0
161.13304	3.2
169.10107	7.4
177.12747	10.4
187.11203	10.7
195.13818	7.0
205.12213	7.6
241.14359	19.2
243.21091	5.1
261.22147	11.7
279.15906	100.0
297.16925	9.5
465.33527	4.5
483.34760	2.9
539.36963	12.2
557.38422	33.1
557.52893	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	23.2
55.01870	4.4
55.05502	16.7
67.05171	6.3
67.05502	76.5
69.07055	13.2
71.04993	6.4
79.05490	65.7
81.03422	30.6
81.07056	91.8
83.04967	7.7
83.08613	7.3
85.06536	6.0
91.05479	49.9
93.07039	78.1
95.01318	4.6
95.04958	23.5
95.08606	64.5
97.06515	3.7
98.21524	9.1
105.07018	39.0
107.04946	30.3
107.08587	37.9
109.06481	7.1
109.10149	12.2
115.05470	5.3
117.07011	19.9
119.08557	19.1
121.06516	7.7
121.10136	21.9
123.08080	17.1
131.08553	22.5
133.10109	16.7
135.11691	30.9
141.06984	9.9
143.08574	6.9
145.06485	15.3
145.10095	17.2
147.11661	9.2
149.09529	4.2
149.13258	18.1
149.43175	3.8
157.10065	3.8
159.11679	27.8
161.13240	7.2
163.14687	4.4
169.10175	9.1
173.13164	5.4
177.12643	20.4
185.13226	4.8
187.11197	20.7
195.13782	15.0
205.12204	6.7
241.14380	24.9
261.22174	16.8
279.15891	100.0
297.16757	6.9
317.24808	6.9
465.33734	4.8
539.37207	7.6
557.38293	47.9
557.52899	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01866	8.0
55.05508	28.1
57.03425	9.5
57.07076	4.3
65.03959	3.6
67.05497	57.5
68.05830	2.2
69.03424	3.4
69.07068	19.9
71.04981	4.3
79.05069	3.3
79.05492	51.1
81.03407	5.0
81.06579	3.9
81.07049	59.2
82.07384	2.0
83.04972	9.8
83.08615	18.1
85.02932	2.2
85.06555	3.5
91.05475	51.3
93.07034	44.9
95.04964	11.5
95.08599	38.4
97.06515	12.4
97.10149	9.0
103.05466	2.3
105.07021	48.8
107.04934	8.3
107.08589	25.8
109.06519	5.7
109.10148	13.1
111.08122	4.5
115.05436	3.8
117.07012	22.6
119.08572	37.3
121.06518	3.6
121.10143	14.6
121.34871	2.0
123.08054	5.3
123.11708	2.9
125.09599	3.7
128.06204	6.5
129.06969	19.1
131.08545	39.6
133.06499	3.4
133.10121	23.8
135.08031	2.5
135.11678	15.3
137.09602	3.1
141.06940	10.5
142.07762	4.6
143.08542	25.6
145.06512	3.7
145.10104	36.9
147.07970	3.0
147.11693	19.7
149.09639	4.2
149.13240	3.0
154.07794	2.9
155.08545	23.0
157.10127	24.3
159.08047	3.9
159.11679	15.7
161.09587	4.1
161.13264	9.5
163.11197	10.3
166.07822	2.6
167.08556	7.7
168.09341	2.8
169.10114	22.6
171.11656	22.9
173.09669	2.6
173.13216	12.1
175.11200	3.1
175.14818	5.6
177.12849	2.8
179.08607	2.5
179.14185	3.6
181.10114	12.1
182.10896	2.3
183.11624	17.3
185.13258	17.5
187.11200	4.8
187.14812	4.5
193.10074	5.1
195.11749	14.0
197.09586	2.4
197.13234	15.6
199.14803	9.2
201.12793	2.4
201.16382	3.7
207.11714	4.8
207.13843	5.7
209.13322	10.2
211.14822	9.9
213.16385	11.4
219.11584	3.7
219.17461	3.6
221.13158	3.0
223.14841	5.3
225.16422	5.9
227.12666	10.3
229.76781	2.8
231.21045	2.9
235.14816	6.6
237.16315	4.6
241.19525	4.9
247.16977	4.6
257.18936	2.6
259.20599	13.9
264.90179	2.4
273.18597	3.3
275.20126	14.1
279.15842	3.6
281.17490	9.0
283.19070	2.2
309.22195	3.0
311.20221	2.8
312.10721	2.1
313.21689	3.3
325.24957	2.5
333.24069	4.2
335.23566	3.3
339.23044	2.3
349.25229	3.1
353.24564	4.9
367.26358	2.8
419.32858	4.2
429.31461	7.6
433.30121	2.4
437.34225	18.0
445.11450	2.6
445.29666	5.8
447.32553	32.0
465.33676	33.6
483.34677	19.4
521.36224	10.0
529.38666	7.2
539.37366	100.0
540.38110	4.1
557.38617	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01869	6.1
55.05260	2.6
55.05509	27.1
57.03430	7.2
57.07075	3.9
65.03933	4.8
67.05499	49.8
69.03439	1.9
69.07061	18.6
71.04972	4.3
71.58813	2.8
77.17587	1.7
79.05485	48.7
81.03415	6.1
81.07047	48.2
83.04981	5.2
83.08607	10.6
83.24385	1.8
85.06532	2.6
91.04906	2.1
91.05473	45.9
93.07035	50.0
95.04961	13.0
95.08601	39.6
95.09167	3.0
97.06542	7.5
97.10174	7.3
103.05472	2.6
105.07025	46.5
107.04967	7.0
107.08593	24.4
109.06536	6.1
109.10146	10.5
111.08112	4.0
115.05463	1.8
117.07013	22.2
119.08570	37.0
121.06536	3.1
121.10125	15.8
121.10825	1.6
123.08073	5.1
123.11694	3.4
125.09683	3.6
128.06239	7.1
129.06999	21.5
129.07913	2.0
130.29602	1.6
131.08554	35.5
133.06493	3.2
133.10120	22.4
135.08081	4.7
135.11691	13.4
136.91310	1.5
137.09576	2.7
139.11292	1.7
141.06946	10.3
142.07823	5.1
143.08546	31.8
144.09280	2.4
145.06561	2.8
145.10104	31.6
147.08041	3.4
147.11676	20.0
149.09665	4.8
149.13286	5.5
155.08546	22.1
156.09319	3.5
157.10117	24.9
159.08080	3.8
159.11671	23.3
159.12827	2.1
161.13216	12.8
163.11217	6.1
163.14850	2.4
165.07079	3.7
167.08531	8.0
168.09389	4.5
169.10095	24.1
170.10957	1.9
171.11667	25.0
173.13240	13.8
175.11197	4.1
175.14864	5.3
177.12784	3.0
179.08655	3.9
180.09380	2.8
181.10120	13.6
181.12451	2.2
182.10902	3.2
183.11679	17.2
185.09663	2.9
185.13249	14.8
187.14828	7.0
189.12764	3.1
193.10204	5.2
195.11652	12.7
196.12491	2.8
197.13234	14.0
198.13956	1.8
199.14818	8.7
201.16443	4.4
203.14389	1.8
207.11884	4.2
207.13727	2.5
209.13277	13.6
211.14786	10.1
213.12936	2.0
213.16365	12.6
219.17520	4.0
221.13254	3.0
223.14951	5.4
225.16455	5.3
227.12720	4.4
231.17616	2.3
231.21217	2.0
235.14825	3.2
237.16432	2.5
239.17975	3.0
241.19585	7.2
247.14722	2.4
247.17009	2.2
249.16389	2.4
251.18100	2.3
257.18997	2.2
259.20566	13.0
275.20184	3.1
281.17673	5.9
285.18625	1.9
287.20200	2.7
289.17996	2.0
295.20547	1.9
297.22351	2.3
307.20529	2.0
311.20114	2.2
311.23734	2.3
313.21609	4.0
315.23288	2.5
321.22281	3.0
323.23764	3.0
333.24286	4.1
335.23755	2.0
339.23401	1.9
341.73087	1.9
353.24835	3.3
367.26489	2.7
419.33221	8.8
429.31717	6.4
437.34207	13.3
439.65417	2.1
445.29645	4.6
447.32632	29.7
455.35104	2.5
465.33688	32.3
483.34689	21.7
485.34174	2.1
491.50842	2.0
501.35901	2.9
521.36328	10.7
527.37280	2.7
529.39178	6.9
539.37292	100.0
557.38470	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43838	1.4
53.03945	3.2
55.01861	2.5
55.05510	25.9
57.03434	7.9
57.07068	4.2
65.03938	4.5
67.05503	49.0
68.05838	1.5
69.07060	20.1
69.34908	1.8
69.35223	16.3
71.04977	4.4
71.08606	1.8
75.34654	1.5
79.05489	41.4
81.03420	3.7
81.07053	48.9
83.04988	4.2
83.08611	14.2
85.02894	1.8
85.06549	4.4
91.05476	46.1
93.07042	40.5
95.04983	11.4
95.08603	37.2
97.06538	6.4
97.10156	5.3
98.21439	3.7
99.08089	2.0
99.37217	1.7
102.73701	1.4
103.05440	2.1
105.07028	38.9
105.07681	2.9
106.10886	1.5
107.04955	6.1
107.08579	25.5
109.06535	3.8
109.10159	13.5
111.08054	3.3
115.05453	3.2
117.07010	23.4
119.08575	36.9
121.06490	2.9
121.10142	17.8
123.08064	5.2
123.11705	2.0
125.09644	3.2
128.06226	4.2
129.06995	21.8
130.07739	1.9
131.08553	37.4
133.06485	2.1
133.10130	20.8
135.08098	2.9
135.11694	11.7
137.09642	3.2
141.07011	9.0
142.07787	6.0
143.08559	28.7
145.06506	4.2
145.10115	27.9
145.11143	2.5
147.08044	2.8
147.11682	22.2
149.09598	3.3
149.13303	4.2
151.11301	2.1
153.06996	3.4
154.07790	3.2
155.08542	23.1
156.09358	3.1
157.10114	23.6
159.08102	2.3
159.11674	23.2
161.09604	3.0
161.13213	13.1
163.11247	3.0
163.14938	3.3
165.07127	2.0
166.07724	1.9
167.08594	11.1
168.09354	2.5
169.10136	27.1
171.08038	1.8
171.11673	26.8
173.09665	1.9
173.13292	12.7
175.11212	3.1
175.14775	4.1
177.12744	2.7
179.08534	3.5
180.09381	2.1
181.10117	13.0
182.10909	3.8
183.11668	20.9
185.13255	17.6
187.11169	2.7
187.14853	4.9
189.12807	4.0
193.10240	6.7
195.11734	13.5
196.12428	2.7
197.13251	15.4
198.31813	1.6
199.11322	2.5
199.14821	10.3
201.16353	2.1
205.12321	2.1
207.11772	6.6
207.13783	3.7
209.13283	8.1
211.14819	9.5
213.16377	14.1
215.14330	2.4
221.13313	3.8
223.14944	7.8
223.86826	1.6
225.16461	5.0
227.12430	1.9
227.18086	2.1
233.13315	3.1
235.14821	4.3
235.17101	1.9
237.16455	3.9
239.18048	3.2
241.19576	9.1
247.14812	2.1
247.17047	1.7
249.18633	2.3
251.18022	2.7
253.16035	1.8
253.19510	2.0
257.19116	4.2
259.20584	16.2
263.17914	2.0
279.15942	4.7
281.17365	9.5
285.22635	1.7
287.20129	1.8
295.20459	2.1
297.22186	3.2
303.21097	2.4
307.20395	1.7
311.23746	3.2
313.21814	2.2
321.22095	2.0
323.23749	3.7
333.24487	3.2
335.23575	3.2
337.25403	3.0
339.23123	4.3
341.24661	2.4
341.77316	1.6
347.23730	1.6
353.24850	4.1
361.25174	2.0
363.27017	1.6
394.02252	1.8
411.30334	1.5
419.33087	5.9
429.31332	8.5
437.34183	13.3
447.32614	33.6
447.38599	2.7
465.33722	37.2
483.34750	20.7
501.36041	4.7
503.35028	3.3
511.37375	1.6
521.36353	8.7
527.37439	3.7
529.39014	7.6
539.37280	100.0
540.37555	3.7
557.38367	52.2
558.39246	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81994	1.2
53.03941	4.4
55.01868	4.0
55.05509	24.7
57.03434	6.8
57.07082	2.3
57.17513	1.4
59.08101	1.7
65.03941	2.9
67.05502	51.8
68.55953	1.5
69.06716	2.4
69.07066	18.1
69.35180	15.4
71.04995	4.2
79.05489	43.6
81.03421	3.7
81.07050	51.5
83.04973	5.6
83.08609	10.2
84.00285	1.4
85.06541	3.3
85.10191	1.6
89.64581	1.3
91.05477	48.7
93.07043	40.4
95.04961	11.4
95.08600	33.7
97.06555	6.0
97.10184	5.7
97.84678	1.7
99.08088	1.6
101.71561	1.4
105.07027	40.2
107.04950	3.9
107.08585	20.7
109.06516	3.9
109.10128	14.5
111.08107	4.4
115.05471	3.7
116.12730	1.5
117.07003	19.1
119.08577	33.6
119.09351	2.2
121.06512	4.1
121.10161	11.8
123.08089	5.8
123.11743	3.5
125.09648	3.1
128.06262	4.1
129.07002	25.5
131.08562	35.1
133.10126	21.0
135.08054	3.7
135.11702	9.9
141.06979	9.7
142.07800	4.7
143.08553	26.0
145.06474	3.5
145.10114	31.0
147.08064	2.2
147.11684	18.3
149.09575	3.1
149.13275	4.6
153.07080	2.0
154.07796	1.9
155.08553	20.4
156.09358	3.7
157.10123	23.2
159.08174	1.8
159.11681	20.6
161.09596	2.4
161.13257	14.0
161.68306	1.6
165.07056	3.0
167.08591	9.1
168.09395	2.7
169.10115	25.1
171.08199	2.5
171.11693	26.0
173.09564	2.0
173.13223	10.0
175.14876	4.9
177.12784	3.0
179.08653	3.3
181.10123	16.4
182.11028	2.5
183.11682	22.2
185.13257	15.9
187.11237	2.9
187.14781	8.3
189.12756	3.1
193.10211	5.5
195.11728	12.7
197.13251	15.8
199.14793	8.2
201.12849	1.8
201.16444	3.5
203.14224	1.8
207.11720	5.4
207.13866	4.5
209.13284	12.4
211.14822	10.1
213.16330	11.3
214.98445	1.5
219.11824	1.7
221.13322	5.7
223.14951	8.5
225.16420	5.2
231.17580	1.9
233.13255	3.2
234.14349	2.0
235.14822	2.8
237.16376	3.5
241.19527	9.0
243.17439	1.9
247.14795	1.9
247.17096	3.8
251.18022	2.9
257.19125	3.3
259.20593	14.7
263.17923	2.1
279.15924	5.4
279.21045	1.6
281.17310	8.9
283.20496	2.6
293.19012	2.7
295.20743	3.3
297.22049	2.1
311.20218	2.4
313.21780	3.3
323.23526	1.7
325.21530	2.7
327.23181	2.4
333.24274	3.0
333.34119	1.5
335.23764	3.1
337.25336	1.8
339.23254	3.4
341.24881	3.0
349.25290	3.2
353.24869	2.9
355.26355	2.0
365.24814	2.7
367.26678	2.1
391.25909	1.7
403.08411	1.5
419.33008	7.7
429.31363	7.4
437.34195	17.1
447.32581	31.1
465.33734	36.3
483.34811	20.5
485.34097	2.0
501.35928	3.1
503.04395	1.7
511.37875	2.5
521.36334	10.4
527.36804	3.2
529.38928	8.0
539.37311	100.0
540.37677	4.1
557.38470	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.01869	12.4
55.05510	25.0
57.03441	5.2
57.07073	11.7
67.05503	41.2
69.03420	36.9
69.07065	39.8
69.41508	42.8
71.04978	9.5
73.02924	6.3
79.05486	21.4
81.03418	33.5
81.07056	69.3
83.04987	25.2
83.08612	19.1
85.02905	47.9
85.06527	4.9
87.00823	18.5
91.05477	23.7
93.07044	31.7
93.33001	5.1
95.04974	11.0
95.08601	100.0
97.02886	17.2
97.10163	14.7
98.20737	6.0
99.04444	13.2
101.66428	4.9
105.01862	20.5
105.07010	32.3
107.04942	7.8
107.08604	35.9
109.02895	21.9
109.06512	11.4
109.10168	35.7
111.08064	9.4
111.11722	5.0
115.03896	11.9
119.08566	16.2
121.10139	25.9
123.04425	5.1
123.08074	6.4
123.11707	14.7
125.09598	7.4
127.03904	29.3
129.01845	4.7
131.08571	9.6
133.10130	16.7
135.11664	15.7
137.09607	8.2
137.13269	15.5
139.11163	3.9
141.07045	4.3
145.10141	12.5
147.07994	6.8
147.11679	13.4
149.13264	12.8
157.09964	7.2
159.11693	7.4
161.09578	9.4
161.13284	13.0
163.11145	6.4
163.14851	10.3
165.12741	6.1
189.16371	8.3
201.03932	5.2
219.04877	6.7
231.04906	6.1
247.04538	11.4
273.25885	16.1
291.26746	36.8
309.27850	16.6
331.26450	7.9
349.27225	10.2
381.28162	6.4
399.28894	27.2
417.29895	16.3
484.40152	5.1
503.29968	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	557.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.6
53.35450	5.9
55.01864	9.7
55.05507	37.0
57.03420	10.9
57.07069	14.0
67.05502	47.3
68.99780	8.8
69.03431	60.9
69.07067	64.2
69.35025	13.9
69.35439	47.8
70.06567	6.8
71.04975	9.9
79.05488	31.8
81.03420	51.2
81.07047	100.0
83.04960	19.1
83.08629	31.6
85.02909	68.6
87.00812	19.8
91.05457	23.9
93.07052	51.6
95.04976	9.9
95.08608	71.4
97.02877	33.1
97.06508	8.3
97.10152	19.5
99.04447	12.4
105.01858	20.3
105.07029	47.4
107.04942	18.1
107.08617	41.6
109.02888	43.4
109.06499	14.3
109.10158	55.6
111.04426	9.2
111.08106	10.5
111.11724	12.2
117.06990	9.2
119.08562	22.8
121.10140	33.4
123.08051	7.7
123.11684	23.5
127.03903	61.9
131.08536	9.9
131.41653	5.8
133.06361	6.6
133.10120	17.3
135.08011	8.2
135.11684	22.1
137.13261	8.5
143.08531	14.2
145.02847	18.2
145.04967	8.7
145.10104	22.1
147.11613	17.3
149.13268	20.2
151.14838	8.7
157.10204	7.1
161.09621	10.3
161.13246	18.0
163.14836	15.1
164.21219	5.5
177.05443	39.6
177.16460	9.4
189.16412	7.5
210.85136	6.1
231.05013	8.9
273.25705	19.0
291.26938	47.3
309.27930	31.3
333.27695	8.4
369.06128	7.6
399.28830	10.5
418.18405	6.6
432.69107	7.8
557.33380	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	557.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01859	1.7
55.05513	30.3
57.03436	2.1
57.07076	5.6
61.02919	2.0
65.03949	1.0
67.05502	9.9
68.63493	0.9
69.03436	6.0
69.07067	30.1
71.04995	1.9
71.08633	3.6
71.57030	1.5
72.30644	1.1
79.05482	5.4
81.03431	6.1
81.07056	27.7
81.53152	0.9
83.04983	42.8
83.08617	16.1
85.02896	10.5
85.06522	1.5
87.00836	2.2
91.05473	5.4
93.07059	10.4
95.04972	2.4
95.08604	27.9
97.02872	2.7
97.06538	3.8
97.10142	6.6
99.04462	2.1
105.01855	3.4
105.07014	6.5
107.08591	12.5
109.02878	3.6
109.06521	5.4
109.10152	16.2
111.08086	16.2
111.11703	2.2
112.07251	1.0
117.01836	1.2
119.08579	6.3
121.10153	9.3
121.10984	1.5
123.08059	3.0
123.11702	10.6
125.09617	3.0
127.03928	7.0
133.10129	2.9
135.11665	5.9
137.05946	1.3
137.09622	1.6
137.13254	12.2
139.11198	2.3
145.04958	2.0
145.10037	1.3
147.08064	1.3
147.11696	3.9
149.09601	1.6
149.13272	2.4
151.11130	1.0
151.14818	2.0
153.12750	6.3
161.13271	1.9
163.14781	3.3
165.12750	5.6
166.33650	1.0
167.14279	2.1
175.14815	1.6
177.05460	1.5
177.16458	1.3
181.15840	0.9
191.17932	2.8
193.19519	4.3
203.17973	1.9
209.19048	1.7
217.19424	1.7
223.20515	2.4
235.20589	1.3
245.53802	1.1
273.25781	4.0
291.26816	100.0
292.27176	2.0
309.28000	2.3
399.28885	1.1
433.65448	1.1
557.25293	1.4
557.33228	1.8
558.24597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68015	1.9
53.03938	3.9
55.01866	2.3
55.05510	38.3
57.03435	2.5
57.07071	7.8
67.05496	14.7
69.03427	11.4
69.07067	36.5
70.86420	3.1
71.04995	2.8
71.08631	3.3
73.02940	2.3
79.05515	8.9
81.03412	8.8
81.07058	39.4
83.04981	47.1
83.08630	19.9
85.02899	13.6
85.06545	2.9
87.00821	3.8
91.05486	5.3
93.07040	13.0
95.04959	3.1
95.08606	33.3
97.02907	8.5
97.06541	2.7
97.10177	3.6
99.04491	1.7
99.08131	1.9
101.73051	1.6
105.01884	4.0
105.07039	8.6
107.04896	2.2
107.08599	11.9
109.02926	10.5
109.06524	6.8
109.10158	22.7
111.08083	17.4
111.11713	4.5
119.08585	8.0
121.10130	11.9
123.08099	4.4
123.11718	14.6
125.09654	5.0
127.03941	9.3
131.08719	1.9
133.10136	3.9
135.11693	8.7
137.13248	12.6
139.11241	3.8
145.02869	4.0
145.04938	3.0
147.11678	6.8
149.13254	6.9
153.12727	8.2
159.02904	3.2
161.13237	4.4
163.14876	4.3
165.12755	4.8
173.13284	2.0
177.05507	7.9
177.16409	1.9
191.17944	3.1
193.19560	6.4
202.12543	1.6
203.17905	2.1
205.23289	1.9
209.19122	2.3
217.19499	3.1
231.05096	2.3
273.25818	6.3
291.26831	100.0
309.27939	6.9
378.56885	1.7
383.08423	2.1
420.38092	1.7
546.92218	2.1
557.25171	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	557.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50577	2.5
56.96560	10.2
61.56147	2.2
61.96695	2.6
69.03431	4.6
70.06573	2.4
71.02361	6.5
72.08173	2.8
77.00912	3.5
82.99853	4.8
84.04517	3.4
84.96043	3.9
85.02888	2.9
91.42889	2.5
96.47121	2.4
97.02892	3.8
98.34372	2.6
98.97585	16.2
100.79387	2.4
101.00876	10.2
110.97567	2.6
113.00836	3.8
116.98620	11.6
119.01921	58.0
124.68755	2.5
127.02425	6.0
128.98608	8.5
131.00204	4.2
131.01903	19.7
134.99640	9.5
137.02957	21.5
143.01884	28.5
145.03459	59.9
146.68788	2.8
146.99651	13.1
147.01341	4.3
147.05013	3.3
149.01144	3.0
149.02962	11.1
153.03935	3.4
155.01898	19.5
157.03465	11.8
158.99626	6.0
159.05031	22.2
161.01404	5.3
161.02974	49.8
163.04546	29.1
165.00743	5.7
167.01895	7.1
168.05122	3.3
169.03471	31.4
170.99713	5.5
171.01257	4.0
171.05040	10.4
173.02974	38.1
175.04478	4.9
177.00687	7.6
180.86484	2.5
181.03398	7.7
183.04971	4.1
184.04501	5.0
185.02954	45.1
187.04520	100.0
189.00697	11.7
189.02434	16.0
189.03940	2.7
189.06027	6.2
191.03992	5.6
197.02956	20.2
199.04494	21.5
201.00717	8.5
201.02457	3.2
201.05949	3.8
203.02341	4.4
203.03989	20.2
207.01744	3.5
207.03516	5.1
208.04659	3.4
210.06082	6.3
211.04477	16.9
213.02481	9.7
215.03996	14.1
219.01770	13.5
221.05058	7.0
223.04498	4.0
225.02419	4.7
227.03909	12.4
229.05527	11.6
231.03499	32.3
237.02797	19.9
243.03517	6.3
245.05081	80.2
249.02597	3.2
251.04420	3.0
253.05690	3.6
257.01340	6.9
257.05154	5.1
261.02777	8.3
263.06079	10.6
269.05563	2.8
271.06638	24.2
275.02463	60.7
275.05975	13.9
279.03757	7.9
286.07776	3.1
287.02466	27.7
289.07581	9.4
291.03922	4.7
293.00546	4.5
293.03510	33.8
293.07108	8.2
305.03482	24.7
305.07214	8.2
307.08847	3.9
311.04846	3.4
315.05499	9.2
316.05057	5.7
321.04971	4.7
335.04611	29.0
341.03394	5.5
359.04504	25.6
365.07703	7.3
367.31815	3.3
377.05600	45.9
383.08737	3.5
395.06754	62.6
479.69211	2.9
539.10242	4.1
557.11700	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	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12271	0.3
67.05533	0.3
68.39676	0.3
69.54547	2.6
83.30267	0.4
96.01894	0.4
127.99904	0.4
157.04736	0.6
185.04221	2.9
201.03716	1.1
259.07825	0.8
275.07327	1.2
331.09909	3.3
345.11737	0.5
359.13162	0.8
373.14661	0.9
391.24420	0.7
401.17813	0.8
415.19394	1.1
483.21988	1.6
535.28687	0.6
553.29791	100.0
554.30127	2.7
561.69824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.6
55.01855	12.6
55.05513	28.5
57.03426	8.0
57.07069	8.9
59.05003	3.8
61.02921	7.7
67.05509	19.9
68.99781	5.8
69.03431	61.9
69.06728	4.4
69.07069	59.9
69.20997	3.3
70.06572	6.2
71.04982	9.8
71.08625	7.7
71.57098	5.3
72.08141	9.1
73.02906	12.1
79.05502	19.3
79.59314	3.7
81.03416	50.4
81.07056	71.8
83.04978	21.4
83.08616	22.3
83.69869	3.4
85.02905	100.0
87.00824	23.1
91.05470	15.8
93.07038	34.2
95.04954	10.3
95.08607	54.7
97.02885	31.0
97.06518	14.6
97.10170	14.6
99.04438	15.2
105.01870	21.3
105.07029	24.3
107.04918	8.9
107.08592	33.0
108.08866	4.3
109.02856	26.7
109.06499	13.3
109.10165	35.1
111.08146	5.5
111.11677	8.8
115.20581	4.1
117.01893	4.9
117.07022	4.5
119.08559	20.3
120.08112	4.0
120.60785	3.8
121.06488	7.3
121.10123	29.0
123.04462	5.0
123.08046	7.4
123.11691	13.7
125.05975	6.1
127.03908	51.6
129.01826	7.8
129.06987	4.7
131.08594	8.8
133.10118	14.9
135.08057	10.9
135.11694	23.2
137.05952	10.2
137.09604	8.7
137.13235	8.3
139.11201	5.2
143.08511	5.2
145.04959	14.7
145.10124	17.6
147.11708	9.7
149.09599	15.7
149.13229	12.9
157.10103	4.3
159.02904	13.7
159.11699	17.2
161.13229	13.5
163.11131	6.4
163.14824	5.6
173.13255	5.8
175.14847	4.2
177.12727	3.8
177.16377	5.9
187.14885	4.0
191.17940	10.2
215.17993	4.3
231.05031	12.4
271.24240	5.0
289.25195	27.1
299.05505	5.2
307.26331	9.5
422.05292	4.0
537.31702	9.2
555.31500	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	556.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13228	2.8
55.05503	4.9
56.05013	2.9
57.03430	17.4
59.06126	3.5
63.57334	3.5
67.05501	7.2
69.07056	11.7
70.06590	5.3
71.01367	5.4
79.05450	6.0
81.07048	19.9
83.04959	7.9
85.02917	11.0
85.20478	3.6
86.09737	3.2
91.05474	7.2
93.07042	22.1
95.01334	6.0
95.04973	11.5
95.08595	10.2
97.02853	4.2
97.06517	13.2
99.04429	5.7
100.11260	5.2
103.08680	4.6
103.66431	3.0
105.07018	13.8
107.08591	10.1
109.06515	9.0
111.08084	33.9
113.02455	3.2
117.05491	100.0
119.08587	7.0
120.08138	4.2
121.06485	11.9
121.10191	3.4
123.11691	14.0
125.05988	5.3
127.07591	4.1
130.82582	3.7
133.10150	12.0
135.08038	5.3
139.07549	7.7
141.01817	10.1
143.07030	4.9
147.11691	22.3
149.13364	3.1
151.11171	12.7
151.66415	3.8
156.70274	3.3
157.10159	6.5
159.06529	10.5
164.13979	3.5
164.46016	3.4
165.12677	6.3
169.12234	51.4
171.11768	4.7
175.11215	15.1
189.12759	4.9
190.04689	3.7
193.12277	12.3
199.11214	5.5
207.13852	6.8
211.13326	31.6
213.52179	3.4
217.12274	15.4
229.14343	38.7
235.13371	10.7
253.14484	15.7
271.15634	4.5
293.08630	48.1
309.16879	8.3
327.17935	22.7
345.19131	39.3
417.17712	3.8
453.34076	3.7
454.34912	4.3
493.29419	3.8
503.20959	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	553.2981
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
62.93808	0.4
67.05492	0.8
69.51153	3.0
69.51563	0.9
81.07048	0.7
83.01096	1.0
91.05424	0.5
93.19727	0.5
95.01077	0.4
95.08602	0.5
97.02709	0.4
133.03419	0.6
135.46759	0.4
139.03668	0.6
185.04201	1.1
201.03741	1.4
203.05266	2.2
259.07840	1.8
266.02591	0.5
299.18594	0.8
300.87683	0.5
317.19678	1.2
331.09973	2.3
335.20746	1.8
373.14780	0.8
391.24664	0.8
415.19308	0.8
483.22159	1.7
535.28400	0.5
543.94043	0.5
553.29803	100.0
554.30151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01855	0.8
55.05497	1.8
56.05024	0.9
57.03433	1.0
65.03926	0.8
67.05508	1.4
69.03427	1.3
70.06571	2.3
70.06908	0.6
71.01353	1.2
71.04977	1.2
71.57021	0.6
71.57384	0.8
72.08124	0.6
72.97064	0.6
73.02894	2.2
79.05482	1.1
80.04983	0.8
81.03399	0.9
81.07051	0.7
83.04958	1.1
84.04497	2.0
85.01134	0.9
85.02904	5.6
86.00613	0.8
86.09701	0.8
86.99023	1.9
91.05470	1.7
92.04951	0.7
93.07051	1.4
94.06556	0.9
95.01330	2.2
95.04938	1.5
95.08588	1.0
97.02876	1.3
103.03965	0.9
105.07030	0.9
113.02344	0.8
116.01668	0.9
119.04967	0.7
120.04471	1.5
122.03638	0.7
122.06014	1.8
124.07652	0.8
127.03962	0.8
130.05000	0.9
131.03395	0.8
134.06044	0.7
136.07594	1.3
137.05997	3.5
138.09142	1.7
139.03897	0.8
141.01834	2.8
142.03226	0.6
143.02731	0.9
143.04915	0.7
143.08476	0.7
147.04399	2.2
148.03841	0.7
151.03899	2.0
158.09651	0.8
164.07063	0.7
169.08768	0.8
171.59718	0.7
173.07106	2.3
182.19014	1.0
184.07666	0.6
184.11232	1.1
186.09100	1.0
186.12851	1.1
187.08665	1.2
188.41451	0.5
189.03267	2.0
189.10223	1.8
200.09279	1.1
201.10196	0.9
201.13771	4.7
212.10716	6.8
213.06598	1.1
214.10730	1.0
214.12497	1.1
215.04962	1.0
215.08186	2.3
215.11734	2.0
216.05190	1.0
227.08189	1.0
227.11818	1.0
228.08864	2.9
229.09996	3.7
229.13359	32.1
233.05969	0.8
239.11827	1.2
240.10220	2.6
241.09850	1.1
242.10361	3.1
243.11342	5.5
255.11368	1.2
257.12845	100.0
258.10947	0.9
258.13321	1.5
285.12329	31.8
287.05490	3.3
287.13815	0.8
326.06683	0.9
359.16010	36.9
361.02191	1.1
373.27731	1.4
377.17065	42.3
378.17160	0.8
381.23831	0.6
399.03922	0.6
406.17371	0.8
407.50293	0.7
535.19104	1.5
553.20441	1.5
553.43262	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	553.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01835	0.5
57.03448	0.6
59.58027	0.5
64.38441	0.4
65.03941	0.6
67.05507	1.0
69.03427	1.0
69.46753	2.5
69.47187	1.8
70.06580	1.5
71.04984	2.1
73.02902	0.7
74.02317	0.5
81.03407	0.7
85.02904	3.0
91.05471	1.8
95.04992	0.5
97.02879	0.7
98.20699	0.8
108.04479	2.4
113.10523	0.5
119.04962	2.5
120.05201	0.8
122.06040	0.7
129.05428	0.5
137.05952	0.7
138.05482	1.2
140.07077	0.7
146.06053	1.1
147.04395	6.5
148.04718	1.5
148.07582	1.4
148.94875	0.5
152.83917	0.5
168.06520	2.5
174.05533	0.8
194.09657	0.6
199.08694	0.6
204.06512	0.9
206.08081	0.7
211.08633	6.1
211.12347	1.3
212.09424	1.4
213.10255	1.1
221.10681	1.1
222.09178	1.6
223.08653	0.7
224.09166	1.1
224.10944	1.4
225.06754	0.9
225.10199	9.7
226.11015	0.9
227.08159	0.5
228.08658	0.6
238.11058	0.6
239.11783	11.4
240.08842	0.9
240.12471	1.0
241.09688	1.6
241.13281	1.2
245.12718	0.5
249.10210	1.2
250.08727	1.6
251.08302	1.4
251.11826	0.6
252.09027	2.3
253.09706	7.4
257.12830	0.9
267.11282	16.4
268.12021	0.9
269.12802	0.9
281.09158	1.7
283.10806	0.7
285.08768	0.5
285.12262	2.4
295.10718	7.5
297.12115	0.9
303.05017	0.6
313.11804	39.2
314.12134	1.3
315.13599	0.5
320.66199	0.6
323.10400	1.2
341.11325	5.5
355.12778	1.6
359.12378	1.9
373.13934	100.0
374.14380	2.1
377.01825	1.2
378.01871	1.2
379.02484	0.6
395.21823	1.1
507.71902	0.5
521.17468	1.6
553.19135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
57.03423	0.6
58.85173	0.3
60.25877	0.4
65.03938	0.4
66.81064	0.4
67.05498	0.7
69.03419	1.1
69.07058	0.5
70.06581	0.9
70.42111	0.8
70.42464	1.2
71.04979	1.4
81.03419	0.5
83.77209	0.4
85.02897	3.2
86.09676	0.5
86.51865	0.4
91.05465	1.8
94.06548	0.7
95.04922	0.5
97.02897	1.0
99.04543	0.5
108.04454	2.2
108.08075	0.5
116.98657	0.4
119.04933	2.4
120.05287	0.5
122.06040	0.9
127.03941	0.6
132.59113	0.4
136.07581	0.9
137.03902	0.4
138.05510	1.0
138.63390	0.4
140.07063	0.9
146.05998	1.0
147.04405	5.1
148.04755	1.2
148.07555	0.9
150.05489	0.7
166.05051	0.7
168.06581	2.9
174.05579	1.0
194.09650	0.5
196.11339	0.5
206.08209	0.6
210.07712	0.7
211.08673	6.4
211.12321	0.7
212.07388	0.4
212.09286	2.0
213.10260	1.5
221.10744	1.3
222.09183	2.2
223.08488	1.1
224.08989	0.6
224.10777	1.7
225.06651	1.0
225.10182	7.3
226.11041	1.3
227.08121	0.9
229.10025	0.4
229.13470	0.5
236.09625	0.4
237.10042	0.4
238.11024	0.8
239.08058	0.9
239.11765	10.9
240.08897	0.8
240.12494	0.8
241.09683	2.3
241.13431	0.7
245.12883	0.8
249.10167	1.2
250.08620	1.2
251.08070	0.7
251.11787	0.7
252.08699	2.6
253.09706	7.1
254.10420	1.3
255.11394	0.5
256.12015	0.7
257.12927	2.3
267.11258	14.0
268.12033	0.9
269.12854	2.0
276.10941	0.5
278.07999	0.5
281.09164	0.9
283.10788	1.1
285.08865	0.7
285.12277	2.0
295.10764	7.1
297.12320	0.9
301.11633	0.9
313.11807	46.9
314.12125	1.2
315.13303	0.7
323.10159	1.1
331.12543	0.5
341.11374	4.5
351.22018	0.5
355.12952	1.3
359.12360	1.6
359.16248	0.7
373.13928	100.0
374.14258	2.6
377.01819	1.4
377.16101	0.7
377.20831	0.5
391.14838	1.3
395.02710	0.4
395.21680	2.3
521.17407	1.0
553.19043	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25283	0.2
55.05505	0.3
56.05030	0.6
58.06329	0.2
58.06604	0.4
59.07398	0.2
60.08159	6.8
67.05495	0.4
71.07368	3.3
71.57565	0.2
79.05491	0.3
80.97500	0.2
81.03419	0.3
81.07054	0.6
86.09700	31.1
91.05474	0.4
93.07023	0.4
94.25409	0.2
95.08639	0.3
97.10156	0.2
98.98457	3.1
104.10740	6.2
105.07036	0.2
109.10095	0.2
113.64737	0.2
116.99518	0.2
121.92869	0.2
123.97652	0.2
124.99997	20.5
133.10049	0.2
143.01018	0.2
149.42041	0.2
177.19638	0.2
184.07329	100.0
185.07616	0.5
192.27484	0.2
244.55553	0.2
247.13264	0.2
258.11057	0.3
412.20892	0.3
452.23944	0.4
516.30432	0.3
531.21088	0.2
534.31647	1.7
552.33063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96995	0.1
55.05504	0.3
56.05024	0.7
57.03443	0.2
58.06355	0.1
58.06618	0.4
59.07393	0.2
59.83231	0.1
60.08161	7.0
65.60416	0.1
67.05494	0.6
69.03403	0.2
69.07075	0.3
70.06596	0.3
70.14648	0.7
71.07371	3.4
79.05498	0.5
81.03397	0.5
81.07036	0.7
83.04961	0.2
83.08650	0.2
85.02908	0.8
86.09702	32.5
87.00826	0.3
87.10049	0.3
91.05483	0.4
93.07033	0.4
95.04989	0.3
95.08612	0.2
97.02870	0.3
98.98461	3.2
99.04456	0.2
103.05386	0.1
104.10742	7.5
105.07026	0.4
107.04927	0.2
107.08586	0.3
109.02869	0.3
109.06512	0.2
109.10142	0.4
117.07047	0.1
119.08575	0.2
121.06502	0.5
121.10122	0.2
123.04437	1.5
124.99999	23.9
127.03896	0.4
131.08545	0.2
135.08043	0.2
135.11671	0.2
137.05971	1.7
143.01059	0.6
145.04965	0.2
147.04405	0.3
151.07516	2.3
159.02852	0.2
159.33266	0.1
163.07481	0.3
165.05417	0.3
165.09111	0.3
166.02715	0.2
177.09091	0.4
179.07013	0.1
184.07332	100.0
185.07704	1.0
189.05505	0.2
258.10886	0.3
273.88986	0.2
287.12759	0.5
329.13516	0.2
395.14877	0.4
452.23807	0.6
516.30737	0.3
534.32043	1.1
552.32874	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.9
56.71172	0.6
67.05476	2.1
69.03426	1.1
69.07032	0.9
69.36082	4.0
69.36510	2.4
69.54578	0.6
79.05482	1.3
81.07043	2.6
83.08617	0.6
85.02897	1.1
86.09699	1.2
91.05464	1.3
92.29414	0.6
93.07026	1.0
95.04961	1.3
95.08600	2.4
105.07038	1.4
107.08597	1.5
109.02906	0.6
109.10159	1.4
119.08582	1.9
121.10135	1.1
124.99928	1.1
131.08542	1.5
133.10092	0.7
135.11711	1.2
143.08620	0.7
149.09564	0.7
159.11748	0.6
183.11664	0.6
184.07350	4.2
184.59192	0.7
185.07700	0.7
190.74622	0.6
220.88058	0.6
303.05048	1.4
386.30725	0.6
389.23135	1.6
399.89389	0.8
505.58252	0.7
551.28229	100.0
552.28625	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	552.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05514	9.1
56.05027	8.6
58.99584	15.7
61.01150	1.3
67.05493	5.2
68.05028	4.9
69.03423	4.9
69.07045	2.6
70.02950	6.7
70.06590	9.2
70.14974	5.8
70.15340	2.9
70.99548	1.6
71.04997	1.5
72.04530	7.2
74.00666	9.3
76.02218	19.3
76.03995	8.9
79.05484	5.5
80.05003	10.4
81.03407	5.7
81.05789	2.9
81.07038	4.0
82.06579	3.0
83.06090	7.5
83.08611	5.8
84.04498	53.2
85.01125	42.7
85.02906	4.4
85.04018	3.5
86.00639	37.4
86.06065	3.8
86.09698	1.9
86.99047	58.5
86.99583	3.2
87.00804	1.7
87.02686	1.7
88.02207	6.4
89.19732	1.6
91.05470	5.3
93.07034	2.1
95.08586	3.0
96.04494	4.0
97.01100	10.6
97.02878	2.6
97.10170	5.4
98.00638	6.6
99.01445	2.2
99.02715	1.7
99.05569	3.6
100.02191	7.5
102.03758	23.6
102.05540	17.4
105.07018	3.2
106.06535	1.7
106.99651	1.3
107.04952	1.7
107.08601	4.6
108.04443	2.3
109.02892	2.8
109.05260	2.0
109.07652	2.8
109.10143	1.9
111.02628	1.8
112.02186	31.9
112.03950	4.0
113.00613	4.8
114.00107	1.7
114.03745	19.1
114.05484	3.9
115.03272	1.9
116.01658	25.0
119.08577	2.3
120.08101	1.8
123.02627	1.5
124.02158	5.7
125.00542	1.9
125.09631	5.1
126.03716	4.7
126.05552	2.1
127.03919	3.3
129.06604	5.6
130.03232	16.5
130.04980	30.0
131.04503	3.2
131.08580	1.7
132.01138	3.2
137.05959	4.7
140.01649	4.8
142.03210	44.5
143.02718	32.9
144.01135	4.1
145.06100	3.2
147.04410	1.6
147.08063	1.6
152.01643	3.5
153.06595	4.5
155.08147	5.5
156.06555	5.7
158.02713	7.5
160.00598	1.8
162.02225	13.0
163.11185	1.6
168.04802	6.7
168.06465	1.9
169.04333	6.3
170.02759	5.8
171.02248	5.1
173.56183	1.8
175.01660	2.2
177.03293	9.4
179.04811	11.6
181.06088	5.9
185.03778	2.9
188.03752	6.8
189.03278	100.0
193.12259	3.4
196.04227	10.0
199.05418	3.4
199.07135	2.3
205.06432	13.1
211.13271	3.1
215.04834	44.9
217.06427	6.5
223.07816	2.1
224.03786	5.8
227.04822	3.7
231.04416	3.5
232.05205	2.9
233.05887	16.2
241.06404	3.4
245.05849	7.1
245.14998	1.9
259.07520	3.7
265.08597	1.6
266.12161	3.8
267.10526	1.7
269.05859	2.3
284.13113	3.1
287.06915	17.9
294.46100	1.5
303.04968	12.1
304.05325	15.9
307.09146	1.5
320.15222	5.6
325.10696	9.5
334.10657	1.9
341.15302	2.6
342.20239	4.8
343.11810	3.2
345.07318	3.5
362.10321	4.8
405.16827	13.9
423.17697	3.5
477.19180	1.6
534.20239	2.5
552.21753	4.9
552.29889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2822
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
69.58979	4.3
79.39149	0.5
81.07053	0.8
98.94884	0.5
125.36419	0.5
167.17284	0.5
240.79535	0.5
259.07959	1.5
371.22055	0.6
389.22879	2.5
410.11127	0.6
419.40433	0.6
464.50113	0.6
551.28259	100.0
552.28387	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2825
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05476	0.3
67.05496	0.8
71.58320	0.4
79.05476	0.7
81.07059	0.8
83.02823	0.2
85.02918	0.4
85.22366	0.3
85.86297	0.2
88.67099	0.3
91.05478	0.8
93.07034	0.6
95.08607	0.7
105.07034	0.7
107.08576	0.4
119.08575	0.3
121.10137	0.4
132.81462	0.3
134.36507	0.3
184.07346	0.9
185.04089	0.3
203.05252	0.8
222.04681	0.3
259.07852	0.9
278.10345	0.3
310.00598	0.3
333.19159	1.3
389.22736	1.4
451.47327	0.3
551.28259	100.0
552.28632	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	551.1031
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03950	1.5
53.13712	0.3
55.01872	1.3
57.03425	1.0
61.02919	0.9
61.57297	0.2
68.99786	1.2
69.03081	0.5
69.03426	5.8
70.06585	0.9
71.04982	1.2
71.56329	0.3
71.56724	0.5
73.02911	1.4
80.54584	0.3
81.03417	6.2
81.07050	0.3
83.01336	0.3
83.08499	0.3
84.04510	0.4
85.02905	8.5
86.09697	0.5
87.00822	4.6
91.03929	0.6
91.05482	0.4
93.07018	0.4
95.04965	0.9
97.02892	3.9
99.04446	1.8
105.01846	2.8
107.68110	0.3
109.02875	4.1
111.00792	1.2
113.72454	0.3
117.01852	1.2
119.04949	0.4
121.02811	0.9
121.10020	0.3
127.03912	6.7
129.01839	0.7
133.06050	0.3
135.04395	0.4
137.02333	3.2
137.03302	0.4
137.05920	0.6
145.04918	1.9
147.02890	0.3
147.04404	0.9
149.02301	0.5
151.88031	0.3
153.01820	4.5
159.02884	4.6
160.54901	0.3
161.05981	0.6
163.03915	0.7
163.07469	0.4
165.01849	1.7
166.02551	0.5
173.06001	0.3
177.05504	0.5
183.02872	0.7
183.04404	0.5
184.45515	0.3
187.03853	0.3
195.03043	0.4
201.05475	2.2
219.06491	0.3
227.11794	0.4
229.04955	4.7
229.09642	0.3
231.04936	1.9
240.08842	0.3
241.09659	0.5
247.06146	0.4
255.11223	2.2
257.04492	2.6
274.04633	0.9
275.05350	0.4
283.10712	1.3
285.04001	1.5
303.04974	100.0
304.05304	1.3
329.11679	0.4
357.10617	0.3
357.14462	0.9
364.47397	0.3
369.05661	0.4
371.12210	0.3
375.15579	0.9
389.13083	0.8
511.46585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01859	0.8
57.03429	0.8
61.02909	0.5
66.34232	0.5
67.01544	0.4
67.01863	6.7
67.05492	0.6
67.64397	0.4
68.99779	3.6
69.03425	3.3
70.06584	0.6
73.02934	0.7
79.03725	0.4
81.03400	2.7
81.07050	0.6
85.02906	5.8
86.09702	0.8
87.00807	1.4
89.03908	1.2
91.05457	1.0
93.29407	0.4
95.04956	0.8
95.08594	0.8
97.02892	2.3
98.21536	0.9
99.04428	1.1
103.05466	0.7
105.01820	0.6
105.07095	0.4
107.08632	0.5
109.02876	2.7
110.67788	0.5
111.00790	0.5
111.04375	0.9
117.03368	5.8
119.04926	0.8
120.08125	0.4
123.04408	1.2
123.29985	0.4
125.02338	0.9
125.05972	0.9
127.03915	4.3
129.01830	1.2
131.04906	0.5
134.03600	0.5
135.04382	0.8
137.05980	6.3
145.02843	16.4
145.04929	1.8
147.02902	0.6
149.05957	2.1
151.03896	1.9
151.07529	5.6
153.01819	100.0
154.02190	0.8
159.02861	1.6
163.03880	0.9
163.07593	1.0
167.07021	1.3
171.02882	55.6
172.03319	0.4
177.05467	22.4
179.03387	9.1
186.05418	0.5
195.02950	2.4
217.05017	0.5
219.02885	0.8
219.06352	0.5
228.98845	0.4
231.04996	0.5
258.05215	0.5
261.03967	1.0
261.07336	0.4
285.07562	1.1
286.04773	0.9
287.04987	0.9
288.05307	1.1
301.07101	2.6
302.07376	2.0
303.08609	96.7
304.08929	2.0
401.07422	1.2
520.20807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05021	0.8
60.08159	7.8
65.67033	0.4
67.05482	1.3
68.33015	0.3
70.13701	0.4
71.07366	3.7
71.58047	0.4
79.05473	1.0
81.07050	1.0
86.09702	33.6
91.05462	0.8
93.07040	1.6
95.08575	0.7
98.98471	3.1
102.23241	0.4
104.10049	0.5
104.10737	8.0
105.06979	1.0
117.07060	0.5
119.08573	0.7
120.08129	0.6
121.10146	0.4
124.99998	22.6
133.10210	0.5
137.05963	0.6
143.01016	0.5
159.02917	0.4
184.07333	100.0
185.07677	0.5
245.30591	0.4
258.11017	0.5
272.19925	0.5
299.58862	0.4
489.85672	0.6
532.30170	1.3
550.31329	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	550.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05026	0.6
58.06602	0.4
60.08160	7.1
62.60377	0.2
63.37686	0.2
67.05495	0.6
68.35545	0.2
69.07053	0.3
69.58636	0.3
69.59036	1.2
71.07371	3.5
71.08622	0.2
72.08096	0.2
79.05482	0.4
81.07051	0.7
83.08587	0.2
86.09699	32.8
91.05416	0.2
93.07036	0.5
93.13464	0.2
95.08583	0.4
97.06561	0.2
97.10184	0.2
98.98457	2.9
104.10735	8.0
108.44817	0.2
109.10119	0.3
119.08546	0.3
124.99995	21.2
143.01051	0.5
176.45370	0.2
184.07329	100.0
185.07762	0.4
255.91391	0.2
258.11105	0.3
278.10019	0.2
293.21085	0.3
532.30347	1.4
550.31433	4.9
551.27295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20082	1.2
70.84180	2.5
70.84550	2.5
91.19054	1.1
114.89366	1.3
122.01207	1.3
134.56783	1.1
182.39275	1.2
191.94510	2.6
208.97243	100.0
209.97554	1.8
210.97095	2.5
218.40120	1.5
226.97333	1.7
268.98419	13.4
280.98425	3.8
358.93967	1.7
380.93896	2.3
395.34796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
53.07118	2.6
55.01870	5.7
55.05509	22.1
57.03436	5.4
57.07078	4.2
61.64904	2.2
64.48687	2.4
65.03931	4.4
67.05503	87.7
69.07060	21.1
69.08122	2.5
69.40760	24.3
71.04981	5.0
79.05492	53.1
81.07054	69.5
83.04967	5.2
83.08632	12.9
85.06548	6.7
91.05477	85.4
93.07040	51.7
95.04967	16.5
95.08607	40.8
97.06517	6.0
100.86813	2.3
101.78772	2.2
105.07024	63.9
107.04961	3.3
107.08593	42.3
107.62427	3.0
109.10149	57.4
111.08105	2.9
113.06028	3.1
117.07048	12.6
119.08556	26.1
121.10123	21.0
123.11680	9.4
125.09624	3.2
128.06238	3.1
131.08571	16.6
133.10130	100.0
135.11682	14.6
137.09633	3.9
143.08575	9.2
145.10097	6.0
147.11673	8.4
149.13272	7.6
151.11168	37.9
159.11639	5.7
161.09627	25.0
161.13280	6.5
169.12241	10.1
173.11723	10.6
173.13326	6.6
175.14847	3.7
179.10674	29.1
187.14854	2.9
197.11798	8.4
215.12808	36.7
227.16521	5.0
229.14398	4.3
230.62593	2.9
253.14322	16.9
254.33504	3.0
261.22110	12.0
271.15436	29.6
312.58386	2.9
317.24991	2.9
335.25726	20.1
489.35495	3.2
503.05408	2.6
531.37091	5.6
549.37958	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	549.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92470	1.4
61.64909	1.1
67.05460	1.4
70.06586	2.2
85.02904	2.3
98.21596	2.9
101.14419	1.1
137.05975	5.6
146.05981	2.7
197.10718	3.6
198.07753	2.3
199.08659	10.1
203.33221	1.3
203.78981	1.2
209.10602	1.5
211.08601	11.5
211.12308	2.1
212.09393	4.7
213.10185	12.4
214.10951	3.0
224.09258	1.6
225.10197	26.9
226.07339	12.5
226.10870	12.1
227.08197	15.3
227.11754	8.1
237.10112	1.6
239.08141	2.5
239.11739	10.1
240.08871	2.4
240.12508	7.2
241.09715	24.3
241.13507	3.3
242.10501	10.2
250.08629	1.7
253.09674	17.4
254.10522	3.4
255.11278	20.8
257.12851	39.8
258.19827	1.5
265.09650	2.3
267.11304	18.8
268.09003	2.4
268.12076	15.9
269.09244	3.0
269.12857	5.7
280.12088	4.8
281.09546	2.5
283.10751	2.7
284.11694	2.6
285.12216	8.3
286.13171	3.1
295.10745	13.0
296.11536	17.5
297.12323	6.5
298.12973	1.8
299.10303	1.8
301.07104	6.0
301.11145	1.3
313.11826	66.7
314.12546	29.0
315.13171	2.4
323.10190	2.8
341.11435	5.6
342.12091	38.1
355.12936	1.6
373.14001	16.3
374.14389	11.4
383.12613	1.8
415.15823	1.5
429.12988	2.4
433.16217	4.4
443.14722	9.2
455.14240	2.8
457.12393	4.5
461.15344	1.7
471.14206	7.0
473.15466	5.9
475.13498	1.9
489.15048	67.9
490.15131	1.4
499.13431	2.9
517.14526	76.2
518.14728	2.8
531.16125	3.1
549.17096	100.0
550.17389	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	549.1236
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03926	0.7
54.00749	0.2
55.01854	1.0
57.03429	0.3
61.02913	0.5
65.09375	0.2
65.92083	0.2
67.01853	0.2
67.05469	0.2
68.99805	0.8
69.03426	3.9
69.07056	0.2
70.54989	0.4
71.04989	0.4
73.02894	0.5
79.05482	0.2
81.03413	3.1
81.07024	0.3
85.02899	5.6
87.00826	2.0
91.05465	0.3
97.02892	1.8
99.04462	1.0
101.02291	0.2
103.03943	0.2
105.01845	1.1
105.03368	0.7
107.04929	0.5
109.02877	2.6
111.04440	0.3
115.05443	0.4
117.01851	0.2
118.64469	0.2
123.04416	0.7
127.03899	4.0
129.01840	0.3
129.07005	0.2
130.70818	0.2
134.03592	0.2
135.04416	0.7
137.02307	0.3
137.05972	0.4
145.04955	1.1
147.02879	0.2
147.04393	0.3
147.08041	0.2
149.02286	0.3
154.36694	0.2
159.02878	1.6
161.02353	2.0
161.05980	0.6
163.03897	1.3
167.03387	9.0
171.04411	0.7
175.03893	0.7
175.07561	1.1
177.05429	0.3
179.03429	0.2
184.05286	0.2
184.07260	0.2
185.04404	0.3
185.05954	0.4
188.04701	0.4
189.03812	0.3
189.09111	0.2
202.06219	0.2
203.07021	4.5
205.04912	0.3
213.05493	0.3
216.04068	0.9
217.04744	0.2
217.08571	1.0
219.06516	0.2
227.07039	0.8
230.05698	0.4
231.06528	14.9
233.08134	0.4
234.02274	0.2
240.04213	0.6
245.08064	3.5
245.10397	0.3
255.06445	0.9
257.07910	0.2
259.06003	2.0
273.07590	1.7
283.05936	1.1
301.07043	100.0
302.07376	1.5
325.07022	0.5
343.08105	1.0
409.09106	0.3
513.36615	0.2
549.12769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86629	1.1
55.01850	1.7
69.57601	8.5
70.06586	1.8
72.08130	1.1
77.90498	1.2
81.03423	1.7
85.02905	3.1
121.02851	1.4
137.02322	10.3
137.05989	7.6
146.05988	1.4
147.07726	1.2
148.07553	1.3
157.06427	1.6
167.07030	3.2
177.19940	1.5
179.81282	1.2
181.04991	1.5
185.05957	1.7
188.04721	1.2
189.05347	2.0
197.05992	4.0
197.10793	2.5
198.07814	2.4
198.11760	1.3
199.08669	8.5
211.08664	8.6
211.12311	1.6
212.04715	1.5
212.09381	4.4
213.05455	14.8
213.10168	8.3
214.10909	1.9
222.09158	1.8
225.05376	1.6
225.10201	19.2
226.07332	8.7
226.10887	6.2
227.08295	9.8
227.11700	6.0
237.10330	1.6
239.11758	9.2
240.08847	2.2
240.12563	3.5
241.04942	14.0
241.09746	14.4
241.13342	1.6
242.10445	10.0
251.11946	1.3
252.08838	2.0
253.09718	10.3
254.10446	3.2
255.11317	14.3
257.12820	31.7
267.08203	1.6
267.11234	14.1
268.12079	11.6
269.04471	15.0
269.12839	4.2
271.10849	2.0
280.12030	3.1
281.09216	3.9
284.11493	1.9
285.12372	3.8
286.04721	3.8
286.09665	1.9
286.12985	1.7
295.10779	8.9
296.11526	11.7
297.12332	3.4
298.13184	1.4
301.07056	100.0
302.07428	1.5
313.11789	42.2
314.12546	19.0
315.13132	1.3
323.10132	1.4
324.11072	2.3
341.11194	4.0
342.12082	29.8
355.12357	1.2
356.13620	1.2
357.13757	1.2
373.13971	10.0
374.14642	7.1
381.18597	1.3
401.09863	2.5
429.12726	2.2
433.15936	2.4
438.15503	1.3
443.14426	7.4
455.14304	1.6
457.12253	1.9
461.04382	1.2
471.14041	5.6
473.15390	5.5
489.15042	40.3
499.13489	3.1
517.14508	50.1
517.75970	1.3
549.17090	63.3
550.17542	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	549.1238
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
51.02377	0.3
57.03416	0.9
60.67036	0.2
69.03421	0.5
69.79850	0.6
69.80251	1.1
70.06586	0.3
72.08154	0.3
73.02919	0.4
79.05492	0.3
79.26560	0.2
81.03404	1.1
85.02911	1.8
86.09686	0.6
87.00798	0.4
97.02885	0.5
99.04417	0.5
109.02862	0.2
110.09748	0.3
114.60088	0.3
115.05430	0.5
118.65170	0.3
119.04942	0.3
121.02887	0.3
127.03897	0.9
128.06149	0.4
135.04411	0.3
136.88173	0.3
137.02325	8.6
137.05948	1.6
139.03932	0.3
141.06984	0.7
142.53381	0.3
147.04388	0.7
150.03096	1.3
157.06458	2.0
163.03885	0.4
168.05626	0.5
169.06487	0.7
171.04445	0.4
181.04910	0.4
182.07906	0.3
184.05132	0.4
185.05963	1.0
187.03908	0.9
188.04720	0.7
189.05458	1.1
191.03325	0.6
192.04248	0.3
193.04947	0.6
196.05170	0.4
197.05972	4.2
199.03900	0.6
201.05511	0.3
211.07573	0.6
212.04675	1.1
213.05452	15.2
215.03392	0.8
217.05049	0.6
224.04764	0.4
225.05432	1.1
227.06978	1.7
231.06427	0.3
240.04233	0.6
241.04945	14.2
242.05524	0.3
244.36499	0.3
245.08069	1.5
255.06468	2.3
258.05408	0.4
268.03656	1.2
269.04443	14.5
270.04874	0.5
273.07492	0.4
283.06128	1.6
286.04694	3.4
301.07047	100.0
302.07449	2.2
357.13489	0.3
517.14703	0.3
549.18451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1238
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
50.78827	0.1
56.45794	0.1
69.03421	0.1
69.55938	0.9
70.06572	0.2
71.04967	0.1
81.03428	0.2
85.02895	0.3
91.05470	0.1
103.05451	0.2
109.02834	0.3
118.53638	0.1
121.06520	0.1
121.77646	0.1
122.03599	0.2
125.85651	0.1
127.03906	0.2
131.04904	0.3
137.05969	3.0
137.07715	0.1
145.06444	0.2
149.05951	0.2
151.03886	0.4
151.55978	0.1
153.01807	1.0
155.01607	0.1
167.07079	0.5
171.02856	0.2
175.07523	0.1
181.04939	0.5
191.07037	0.2
229.04849	0.6
230.05661	0.2
233.52005	0.1
241.04938	0.5
257.04575	0.1
258.05228	15.5
259.05698	0.3
269.04416	0.4
286.04703	35.6
287.05103	0.7
301.07037	100.0
302.07373	1.7
357.13336	0.5
379.27048	0.1
386.10245	0.2
387.14499	0.2
463.12439	1.3
517.18542	0.7
531.11566	0.2
549.12292	1.8
549.19934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1237
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03936	1.2
55.01864	0.9
55.05494	2.5
57.03426	0.6
57.07056	0.6
67.05495	1.8
68.35005	0.6
69.03412	2.3
69.07059	1.0
69.49143	4.7
70.06571	1.2
71.01362	1.2
71.04976	0.9
73.02911	1.2
77.04012	0.5
79.05483	1.7
81.03412	3.1
81.07049	4.0
81.07460	0.6
83.04971	1.2
83.08607	1.8
84.04482	0.7
84.08167	1.0
85.02901	6.2
85.51308	0.6
86.09711	0.8
87.00835	1.5
87.04449	0.6
88.83520	0.5
91.05472	1.7
93.07045	1.4
95.04971	1.4
95.08598	1.5
97.02869	2.0
97.06575	0.7
99.04429	1.2
100.07623	0.7
100.11265	4.7
103.05450	2.1
105.01823	0.7
105.07012	1.7
107.04964	3.8
107.08559	0.9
108.05265	1.0
109.02872	1.8
109.10212	0.5
111.04413	1.5
111.66180	0.6
115.00111	0.6
117.07037	0.6
119.08585	1.6
121.06483	0.6
121.10109	0.6
122.03612	0.7
123.04404	0.7
123.11730	1.1
126.03748	0.6
127.03913	3.4
128.07063	0.7
131.04900	1.8
133.02855	0.6
134.03618	1.7
137.05962	8.8
145.04947	0.9
145.06427	1.1
147.04391	1.7
147.07962	0.7
147.11674	2.6
149.05998	0.7
151.03886	1.6
153.01823	6.8
159.02870	0.9
161.05977	1.4
163.03923	0.9
163.07518	1.2
165.12805	0.9
167.07028	4.1
170.02022	0.6
171.30396	0.7
175.03973	0.8
177.05388	0.7
181.04965	0.7
182.15382	3.6
185.05838	0.6
187.07469	0.9
191.07007	1.8
193.04951	1.1
195.18968	0.8
202.06120	0.7
209.16592	1.2
210.14883	3.5
213.05443	1.6
226.08641	1.3
227.17645	0.6
228.08372	1.7
229.04933	4.2
230.05669	2.2
241.04897	7.0
241.10941	1.8
242.11771	1.1
245.07999	0.7
267.16019	1.1
269.04456	6.2
274.08936	5.7
285.03815	0.8
285.16830	1.0
286.04688	13.6
299.09192	2.2
300.09619	1.7
301.07034	100.0
302.07404	1.1
328.09906	1.2
345.12585	0.7
369.13351	0.7
517.18719	5.4
548.34888	4.3
549.19238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03952	0.2
55.01858	0.2
55.41996	0.2
57.03437	0.2
57.47871	0.2
58.68796	0.2
65.03925	0.2
68.99792	0.5
69.03418	0.5
69.59816	0.4
69.60213	1.2
70.06600	0.2
79.05498	0.2
81.03419	0.4
85.02888	0.9
89.03909	0.2
89.39807	0.2
91.05482	0.4
93.07090	0.2
95.04974	0.4
97.02885	0.4
98.20827	0.2
101.66898	0.1
105.07021	0.3
107.04987	0.3
109.02879	0.5
111.00845	0.2
115.05448	0.3
117.03364	0.2
121.02895	0.2
121.06498	0.3
122.03666	0.3
123.00751	0.4
123.04366	0.2
124.01553	0.3
125.03665	0.2
127.03904	0.7
128.06175	0.2
128.48926	0.1
131.04913	0.5
134.03618	2.2
135.04459	0.2
137.05989	4.2
143.04875	0.2
145.06461	0.3
147.68871	0.2
149.02315	0.8
149.05963	0.2
151.03905	0.2
153.01825	6.7
156.72557	0.2
157.06447	0.4
161.02289	0.2
161.05997	0.3
163.03960	0.2
167.07025	1.0
170.02156	0.9
171.04399	0.3
173.05911	0.2
177.05592	0.2
181.04965	0.5
185.05988	0.5
191.07043	0.2
197.05948	0.2
199.03897	0.6
201.05586	0.2
202.06229	0.4
203.07054	0.3
212.04599	0.2
213.05470	2.5
217.08531	0.2
229.04942	4.4
230.05748	2.3
240.04144	0.2
241.04956	8.8
245.08093	1.1
246.17860	0.2
257.04413	0.2
258.05261	0.7
268.03601	0.3
269.04446	13.7
273.07581	0.2
285.03891	1.1
286.04718	16.0
287.05231	0.2
301.07059	100.0
302.07452	1.0
347.12543	0.3
357.13330	0.6
369.12912	0.2
387.14484	0.4
478.16388	0.4
531.19336	0.2
548.34558	0.6
549.12329	0.3
549.19708	1.4
549.35315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39859	2.2
53.03938	2.8
54.48487	2.1
55.01870	2.7
55.05512	28.2
57.03430	8.0
57.07071	3.6
65.03936	2.4
67.05505	78.2
69.07071	21.1
71.04993	3.6
71.19618	3.5
71.19932	2.7
79.05495	33.2
81.03432	3.0
81.07056	100.0
83.04976	5.9
83.08616	14.1
85.06555	3.6
91.05484	34.0
93.07037	45.8
95.04952	9.0
95.08609	56.3
97.06531	5.0
97.10162	7.8
99.08051	2.5
105.07023	29.0
107.08607	23.3
109.06501	5.0
109.10164	22.7
111.08076	2.8
117.07033	4.6
119.07803	3.8
119.08587	29.5
121.10152	26.2
123.08051	3.2
123.11703	16.2
131.08588	13.2
133.10120	14.0
135.11664	10.2
143.08521	3.3
145.10117	9.3
147.11690	31.7
149.13249	10.8
157.10081	4.2
159.11700	9.3
161.13213	7.2
163.11087	3.9
165.12756	13.2
171.11732	2.6
173.13298	6.5
175.14723	2.5
185.13211	3.2
187.14844	2.9
229.14366	4.2
261.22174	5.7
263.23627	4.1
267.15952	23.8
269.17529	6.5
277.21774	2.4
285.16946	3.0
335.25751	5.0
437.34119	5.9
455.34961	6.0
473.36087	6.0
529.38916	27.9
547.39398	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
54.57418	2.1
55.01855	3.1
55.05507	28.5
57.03418	6.5
57.07056	5.2
65.03925	4.5
67.05499	94.1
69.03438	2.7
69.07063	22.4
70.84332	4.2
71.04983	8.3
75.70222	2.2
79.05484	51.9
81.03401	4.8
81.07047	100.0
81.08852	2.0
82.07387	4.8
83.04958	5.9
83.08615	18.5
85.06538	3.9
90.51012	2.3
91.05470	48.2
93.07034	53.7
93.07625	2.9
94.07298	2.4
95.04964	10.6
95.08603	64.1
97.06530	16.5
97.10156	8.5
99.08070	4.6
105.07026	42.3
106.36968	2.0
107.04932	3.1
107.08578	34.0
109.06509	4.8
109.10136	28.3
111.08096	5.1
117.07008	11.6
119.08569	35.4
121.06470	3.0
121.10136	29.1
123.08029	3.2
123.11678	17.3
125.09595	5.3
128.06244	2.3
129.07004	6.5
131.08553	21.6
133.10107	30.7
135.11687	20.9
137.13225	5.1
142.07791	2.4
143.08548	6.0
145.10130	20.1
147.11673	29.7
149.09608	2.9
149.13245	11.2
151.11131	3.5
155.08560	4.2
157.10159	10.4
159.11728	14.4
161.13217	9.3
163.11156	3.2
163.14862	3.8
165.12733	8.1
169.10089	3.1
171.11697	6.7
173.13237	10.0
175.14745	3.9
177.12720	4.6
183.11690	4.9
184.56743	2.2
185.13229	4.6
187.14752	4.7
189.16251	2.4
193.12257	4.9
195.13794	4.1
197.13274	2.9
199.14857	4.2
227.12833	2.9
229.14449	3.3
231.94873	2.2
261.22098	6.9
264.82141	2.0
267.15933	12.9
269.17435	4.1
271.20474	2.3
287.23724	2.9
289.21567	3.0
301.25024	2.9
305.24643	2.4
317.24368	2.7
321.23853	2.2
333.23944	2.6
333.38626	2.5
335.25821	5.7
419.33170	3.9
437.34348	14.2
437.73370	2.6
455.35281	10.7
473.36148	9.5
511.37994	4.3
529.38843	46.3
547.38721	37.7
557.85345	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	547.1444
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.10753	0.2
62.13714	0.2
74.84657	0.2
79.24477	0.2
93.53971	0.2
112.81756	0.2
120.11608	0.2
132.05692	0.8
133.06465	0.6
135.04428	0.4
137.05930	0.8
152.01074	0.2
163.03859	0.3
167.03378	0.2
168.05653	0.5
178.30864	0.3
182.07301	0.8
183.08057	1.4
184.03650	2.7
185.05940	0.4
187.07716	0.2
196.05212	0.5
197.05965	0.7
197.07872	0.2
200.08269	0.2
210.06758	0.9
211.07541	1.9
213.05452	0.6
224.04663	0.4
225.05463	0.6
227.07098	1.4
228.07770	0.9
239.07048	3.6
241.04962	0.9
243.10159	4.0
252.04144	0.2
253.05138	0.2
255.06508	0.7
256.07297	7.1
267.06488	0.9
269.04575	0.3
283.05972	1.8
284.06775	16.8
299.09116	100.0
300.09415	1.6
371.91864	0.2
433.90884	0.2
457.95267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98917	0.7
61.52712	0.6
67.75973	0.7
69.03404	1.1
69.07063	1.2
70.25797	0.6
70.73760	2.2
72.08092	0.8
76.01583	0.7
79.05472	0.7
81.03403	4.1
81.07034	0.9
85.02887	1.6
86.09686	2.2
89.03910	5.4
94.02572	0.8
95.04942	0.8
96.78477	0.7
99.04437	1.0
109.02863	2.0
117.03360	17.5
125.06833	0.9
127.03938	0.9
132.04431	6.8
134.03618	1.1
135.04401	1.7
145.02835	44.4
149.05948	5.6
163.03969	0.8
177.05457	100.0
178.04967	57.2
179.05374	0.8
186.05469	1.2
195.06506	1.2
206.04472	87.1
207.04739	0.9
219.96275	0.7
251.13251	0.8
254.93167	0.7
311.24652	0.7
321.09634	6.8
328.51859	0.8
339.10669	2.7
368.09460	0.8
544.18829	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17202	14.7
55.05521	20.0
57.03432	13.9
59.37667	12.3
67.05499	46.6
69.07057	31.5
69.36899	30.1
69.37305	100.0
73.51519	14.0
79.05491	52.2
80.61067	14.6
81.03401	18.9
81.07061	98.3
83.04982	18.9
85.02870	21.0
91.05485	57.4
93.07042	46.4
95.04991	17.7
95.08613	45.3
97.02872	16.4
97.06520	14.8
98.21457	31.4
105.07046	42.1
107.04954	22.6
107.08592	39.0
109.06542	17.3
109.10149	24.7
111.04414	23.0
119.08580	30.5
121.10122	33.0
123.11723	22.6
133.10172	18.0
135.11644	45.3
145.10107	43.9
147.11655	36.4
158.49144	14.4
163.11171	48.2
173.09689	17.0
182.05659	17.5
191.10658	20.7
227.12854	33.9
252.13484	38.0
265.14334	39.9
267.15811	68.7
267.35336	18.0
283.15387	65.3
285.16953	40.5
301.16537	57.3
374.30746	31.6
405.30035	23.0
475.26871	16.3
511.28711	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	547.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
58.48917	0.2
62.83640	0.2
67.05486	0.2
69.03401	0.3
69.28584	1.8
79.05463	0.2
79.57549	0.2
81.03383	0.2
81.07028	0.3
85.02880	0.3
91.05470	0.3
93.07031	0.2
95.04947	0.2
95.08575	0.2
97.02912	0.2
98.97592	0.2
105.07013	0.6
107.04923	0.4
108.08160	0.2
119.04910	0.4
121.06458	0.2
123.00773	0.3
127.03909	0.2
129.07014	0.2
131.04906	0.2
132.05690	0.4
133.06453	0.5
133.10078	0.2
134.07254	0.3
137.02289	0.5
137.05960	0.5
138.38319	0.1
139.14284	0.2
146.99565	0.2
147.04376	0.3
151.00227	0.3
151.03877	0.2
152.01025	1.1
153.01768	0.4
157.06525	0.4
161.05951	1.6
168.05692	0.4
169.01268	0.5
169.06462	0.2
170.02072	0.9
182.07288	0.2
183.08031	0.7
184.03624	0.2
185.05937	0.4
187.31725	0.2
196.05188	0.2
197.06027	0.4
200.08272	0.2
210.06735	0.3
211.07541	0.9
213.05479	0.6
224.04666	0.3
225.05417	0.3
227.07021	0.6
228.07776	0.4
238.06274	0.3
239.07051	2.3
239.10640	0.3
241.04932	1.5
243.10173	1.0
246.00284	0.2
252.04089	0.2
253.04916	0.8
255.06589	0.9
256.07297	2.8
267.06360	0.2
269.04446	1.0
283.06036	0.2
284.06778	48.3
285.07129	0.6
299.09122	100.0
300.09451	1.7
351.11908	0.3
379.63556	0.2
394.70721	0.2
547.34540	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	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.13540	1.3
55.01865	3.8
55.05266	2.0
55.05508	23.9
57.03431	3.8
57.07053	1.9
62.88412	1.2
65.03941	4.8
67.05500	58.5
69.03424	3.4
69.07059	17.5
70.18574	6.8
71.04984	3.7
77.03909	1.7
79.05488	67.4
81.03412	3.7
81.07052	58.6
83.04974	6.3
83.08624	12.3
85.06512	1.4
91.05473	37.1
93.07038	80.8
95.04967	15.0
95.08600	59.0
97.02898	3.4
97.06522	5.7
97.10159	1.7
99.04453	3.7
105.07026	30.1
106.64591	1.2
107.04952	11.0
107.08585	50.8
109.06516	4.2
109.10143	10.8
111.08086	1.7
115.05499	2.6
117.07018	18.8
119.08566	21.0
121.06504	9.8
121.09318	2.4
121.10140	29.4
123.08057	1.3
123.11720	2.3
125.05979	4.4
125.09608	2.0
129.07014	3.2
130.07755	2.3
131.08572	14.5
133.10114	14.2
135.08038	3.1
135.11681	54.4
139.07556	2.1
143.08557	5.3
145.10101	35.6
147.11714	5.7
149.09578	3.2
149.13235	5.7
155.08551	2.0
157.10124	3.1
159.11656	6.6
161.13242	3.9
163.11171	58.2
171.11609	1.6
172.64175	1.5
173.09674	2.5
173.13268	4.5
181.12225	15.8
185.13313	1.8
187.14897	2.0
191.10588	1.8
209.11763	3.6
227.12766	100.0
259.20663	1.5
261.22119	7.4
275.20142	4.8
277.21869	1.7
317.24817	2.7
451.32144	1.7
525.36066	3.1
543.36780	57.2
544.37634	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	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01866	2.2
55.05513	19.6
57.03426	4.6
57.07067	3.5
59.08918	1.4
65.03942	2.1
67.05500	47.3
67.99817	1.5
69.07067	13.7
69.31826	8.1
69.32256	5.9
71.04986	3.9
77.03934	2.1
79.05488	50.9
81.03417	2.1
81.07052	45.3
83.04982	3.8
83.08611	9.8
91.05474	33.5
93.07037	62.3
95.04964	14.0
95.08597	51.5
97.02876	2.2
97.06517	4.7
97.10154	3.2
98.21554	3.4
99.04453	2.6
103.05430	1.7
105.07025	22.7
105.07709	2.6
107.04938	9.2
107.08587	42.3
109.06525	3.6
109.10152	9.5
111.08073	3.2
117.07016	14.5
119.08573	18.4
121.06512	7.4
121.10142	29.0
123.11679	3.0
125.05967	1.8
129.07062	3.0
129.34834	1.2
130.07787	2.3
131.08560	12.3
133.10155	12.6
135.08029	3.8
135.11676	50.2
143.08568	2.1
145.10107	27.6
147.08374	1.4
147.11688	5.6
147.77672	1.4
149.09605	4.4
149.13277	5.0
153.12827	2.0
157.10152	1.6
159.11676	3.9
161.13213	3.5
163.11166	60.2
173.09555	1.8
173.13264	3.7
179.10408	1.4
181.12201	11.9
187.24489	1.5
190.38876	1.5
191.10693	2.7
209.11780	2.8
225.92723	1.5
227.12766	100.0
261.22232	4.5
275.20071	3.1
447.00885	1.6
463.80600	1.7
525.35748	4.2
543.36731	58.8
544.37207	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68187	0.7
51.02355	0.7
53.03939	3.5
55.01849	2.7
55.05509	14.2
57.03410	3.1
57.07059	1.4
65.03912	2.0
67.05499	35.2
69.03400	1.6
69.06723	0.8
69.07063	11.1
71.04996	3.6
73.02882	0.9
77.03911	1.2
79.05487	47.3
81.03381	1.7
81.07051	36.3
83.04978	4.1
83.08617	10.0
85.06563	0.7
91.05471	21.5
93.07036	62.8
95.04961	11.6
95.08600	43.9
97.02885	3.7
97.06520	4.3
97.10124	1.2
98.21523	1.3
99.04428	2.4
103.05420	1.5
105.04488	0.8
105.07021	16.9
107.04938	8.0
107.08583	37.0
107.95600	0.6
109.02819	0.6
109.06491	2.5
109.10141	7.4
111.04417	1.3
111.08070	1.0
115.05392	0.7
117.07010	13.7
117.43258	0.6
119.08574	14.9
121.06465	4.1
121.10134	19.4
123.08026	0.9
123.11662	1.8
125.05944	2.3
125.09594	0.9
127.07544	0.7
129.06964	1.2
130.07768	2.2
131.08571	6.5
133.10118	5.7
135.08046	2.3
135.11681	45.3
136.11993	0.8
139.07588	1.7
143.08563	1.3
145.10114	27.0
147.11658	3.1
149.13251	3.6
155.08562	0.8
157.10127	1.0
159.11676	3.1
161.13239	2.3
163.11169	56.8
164.38004	0.7
169.10133	0.8
173.13234	2.1
181.12218	13.2
187.14774	0.7
195.52780	0.6
201.16393	1.0
209.11719	2.2
227.12764	100.0
228.13043	0.8
243.21098	1.7
261.22058	5.1
310.37921	0.7
317.24774	1.8
525.35028	0.9
543.36755	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01863	4.9
55.05511	30.5
57.03434	5.1
57.34836	2.6
58.96763	2.8
60.33908	3.1
63.49124	2.9
67.05505	66.7
69.03421	4.9
69.07069	20.4
69.94280	15.6
71.04970	2.8
74.48251	2.4
79.05061	5.2
79.05492	68.3
81.03420	11.0
81.07053	69.5
83.04966	7.7
83.08606	16.6
85.02929	3.1
85.06562	3.4
86.73121	2.8
91.05478	56.7
92.84272	2.6
93.07047	64.0
95.04984	21.0
95.08606	46.9
97.02896	4.8
97.06537	10.9
97.10180	8.3
105.07021	38.0
107.04957	9.9
107.08594	45.6
107.28761	2.9
109.06519	4.9
109.10130	19.2
111.04351	3.1
111.08011	2.9
115.64211	2.7
117.07011	20.4
119.08575	29.4
121.06506	8.9
121.10147	23.6
123.08044	4.4
123.11718	5.5
124.85435	2.6
125.09643	6.2
126.78796	2.5
129.07019	7.8
130.07779	4.3
131.08563	27.2
133.10133	25.8
135.08092	8.0
135.11693	32.9
137.09557	3.3
143.08577	12.9
145.06564	3.2
145.10121	33.9
147.11697	11.4
149.09659	8.7
149.13257	9.8
151.11131	3.8
154.07857	3.2
155.08507	8.2
157.10165	14.1
159.11681	18.5
161.09660	3.8
161.13307	8.7
163.11162	33.1
171.11739	7.7
173.09625	4.7
173.13306	7.8
181.10172	3.2
181.12268	8.8
183.11647	6.0
185.13258	7.5
187.14790	5.1
189.11186	6.2
191.10670	4.6
195.11703	3.3
197.13264	4.8
199.14668	3.4
223.48763	2.6
227.12779	61.5
261.22217	6.7
268.81406	2.5
275.20065	23.9
277.21582	5.4
297.22015	3.5
299.23819	9.4
305.33710	3.1
415.28998	3.5
451.32166	9.9
469.33026	8.2
525.35730	14.1
529.64594	3.3
543.36835	100.0
544.36481	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	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69679	0.5
62.41623	0.4
69.93488	2.3
76.37481	0.5
76.75863	0.5
77.21684	0.5
79.05480	0.8
91.05489	1.6
93.07043	1.5
95.04943	0.5
103.05459	7.2
106.06530	0.5
107.04930	1.6
119.04926	0.9
120.08104	100.0
121.06525	0.4
121.08399	1.1
131.04919	2.6
136.06183	1.0
137.05972	1.3
147.04413	2.0
149.06006	2.4
166.08644	44.8
167.07031	1.3
179.07086	2.2
211.28441	0.5
227.24738	0.5
228.10725	0.5
369.73138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92494	0.9
69.12795	0.9
69.94294	2.1
69.94682	2.1
74.15280	0.8
89.63461	1.1
131.16553	0.9
199.05614	0.9
200.05820	2.1
217.06625	1.6
218.06664	2.4
219.06407	1.7
245.05147	1.4
246.05254	1.2
260.07883	2.5
272.29999	1.1
320.09946	0.9
363.06998	3.6
381.07901	24.3
543.13177	100.0
544.13513	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	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03952	11.0
55.01867	4.6
55.05511	24.5
57.07082	3.2
60.86065	1.5
65.03945	4.6
67.05504	76.0
68.08274	1.7
69.03427	1.8
69.07069	20.0
70.06597	1.7
70.18622	8.5
71.04990	5.2
73.06560	2.0
77.03465	1.7
79.05491	100.0
81.03415	7.4
81.07056	65.4
81.40514	1.7
83.04995	11.3
83.08621	8.9
85.06556	4.9
88.07607	2.1
91.05479	65.6
93.07043	84.1
95.04974	28.3
95.08609	45.6
95.46405	1.6
97.06533	6.8
97.10150	3.4
103.05495	2.1
105.04533	1.9
105.07028	42.2
105.07684	3.2
107.04954	4.1
107.08592	30.5
109.06551	5.2
109.10159	10.7
111.08079	3.6
115.05489	1.7
117.07018	12.2
119.08568	30.6
120.75140	1.6
121.06539	1.9
121.10152	18.4
123.08095	6.8
123.11743	3.1
128.06261	3.6
129.07004	13.5
131.08559	15.7
133.10138	14.2
135.11707	10.0
143.08586	8.9
145.10109	14.8
147.11671	34.7
149.13228	2.9
155.08626	2.0
157.10210	2.7
159.11761	5.7
161.09688	5.0
161.13258	14.6
169.10207	2.4
171.11694	25.4
171.13145	2.0
173.13254	3.7
185.13281	2.0
187.14815	1.7
189.12737	10.0
197.13315	2.7
207.13786	24.3
225.15001	3.9
256.26495	2.7
261.22229	6.6
281.17609	2.0
397.86124	2.1
424.49670	2.5
449.34009	3.1
455.16931	2.0
508.27267	1.9
541.39020	71.2
541.46918	3.8
541.53894	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	541.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.6
53.03945	11.2
55.01877	11.9
55.05509	20.2
57.03424	8.0
57.07059	10.0
57.07312	2.0
61.02917	8.7
65.03915	2.6
67.05502	30.6
68.99779	6.6
69.03084	4.1
69.03426	60.3
69.07063	32.5
71.04977	8.4
73.02915	6.9
79.05486	21.0
81.03413	61.7
81.07051	77.8
83.04974	5.7
83.08607	17.6
85.02898	100.0
85.06535	10.9
87.00820	32.8
87.04492	2.6
91.05462	16.7
93.07039	28.8
95.04945	8.3
95.08600	92.2
97.02889	35.0
97.06522	2.2
97.10149	11.4
99.04444	21.2
99.08076	4.1
103.03908	3.3
105.01857	26.9
105.06398	2.3
105.07019	14.7
107.04935	3.2
107.08578	25.8
109.02874	44.4
109.06503	9.2
109.09497	1.7
109.10149	48.2
111.04396	5.7
111.08075	4.8
111.11705	3.4
115.03916	8.0
117.01862	5.3
117.07018	6.3
119.08580	20.6
121.06535	5.7
121.10134	17.2
123.04424	4.7
123.08047	3.1
123.11714	24.2
127.03912	83.6
129.01854	7.2
130.96260	2.5
131.08528	10.5
133.06451	2.8
133.10149	15.8
135.08052	5.1
135.11691	9.6
137.05936	5.3
137.13263	8.9
142.07745	2.8
143.08565	6.5
145.04956	25.6
145.10104	11.1
147.02855	3.7
147.08086	2.7
147.11679	12.6
148.07536	2.2
149.09605	4.3
149.13234	13.3
151.14809	11.0
153.01802	3.3
155.08530	3.0
157.10139	6.2
159.02852	17.8
159.08000	3.1
159.11678	11.8
161.09645	3.8
161.13226	7.2
163.14781	8.8
165.08984	2.4
165.16385	3.9
169.10144	2.5
170.10890	2.4
171.02942	4.2
171.11674	5.8
173.13220	8.3
175.11203	3.3
175.14816	6.2
177.12849	3.4
177.16325	5.0
183.11670	5.5
185.13159	3.2
189.03903	4.4
189.09109	3.5
191.17891	3.4
193.12199	2.5
203.10516	3.5
203.18013	3.3
217.19478	2.5
221.13240	2.7
223.15022	2.8
227.14339	2.9
229.76636	3.2
231.04906	13.6
231.09033	2.4
242.90013	2.6
275.19995	5.8
291.26865	4.9
293.28400	12.2
303.26874	4.2
305.28336	3.8
311.29474	3.7
317.28180	3.9
347.29187	3.7
359.29584	4.2
365.28363	2.9
383.29443	14.1
401.30408	12.8
419.31601	5.6
437.33084	3.2
487.30615	4.2
505.31430	7.6
523.32416	3.5
541.34979	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01865	11.0
55.05504	27.4
57.03421	7.4
57.07060	12.5
61.02934	3.7
67.05502	37.4
68.99767	5.7
69.03427	43.2
69.07062	47.3
69.46632	15.7
69.47050	9.1
71.01344	2.9
71.04971	8.3
71.08625	4.0
73.02913	5.2
79.05475	27.9
81.03401	24.3
81.06586	6.3
81.07052	92.9
83.08609	25.4
85.02424	5.4
85.02897	51.3
85.06544	22.6
87.00820	22.0
88.28924	2.8
91.05450	18.7
93.07030	46.6
93.91684	3.3
95.04958	12.9
95.08599	100.0
96.08965	3.0
97.02905	21.4
97.06510	7.0
97.10159	14.6
98.21465	4.9
98.70005	3.0
99.04445	10.2
99.08107	8.2
103.03918	5.2
105.01885	15.2
105.07024	29.5
107.04961	5.5
107.08582	40.9
109.02882	16.2
109.06503	8.5
109.10139	53.0
109.11675	3.0
111.04424	10.4
111.08081	17.4
111.11769	6.8
117.07003	5.4
119.08579	25.8
121.06483	4.7
121.10138	28.4
123.04424	6.3
123.08038	8.7
123.11690	31.3
125.13239	3.8
127.03911	28.9
128.06178	2.9
129.01802	4.7
131.08545	12.9
133.06465	3.4
133.10147	14.9
135.08070	8.3
135.11659	17.0
137.06033	3.5
137.09601	5.8
137.13254	12.5
141.09077	4.4
143.08562	4.0
145.04903	6.8
145.10124	12.4
147.08055	6.5
147.11671	16.6
149.09518	3.4
149.13248	37.5
149.97737	3.5
151.11179	3.3
151.14833	6.8
157.10110	7.1
159.02878	10.4
159.08093	3.5
159.11710	10.5
161.09618	6.2
161.13235	11.1
163.14795	15.9
165.09081	4.5
173.13281	5.2
175.14847	6.9
177.12714	3.8
177.16362	5.6
189.03865	5.9
189.12727	3.3
191.17683	3.7
221.29919	3.0
228.54794	3.9
229.19333	3.9
231.04956	7.5
275.27319	5.6
293.28458	6.9
297.25549	3.3
298.43124	3.7
298.89523	2.9
317.28421	3.7
339.26688	3.9
365.28314	3.5
383.29443	9.6
401.30548	8.2
487.30252	7.6
523.32690	5.8
541.33929	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	541.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.01869	16.6
55.05506	23.2
56.96563	4.6
57.03432	16.6
57.07060	9.5
61.02913	8.5
65.03957	3.8
67.05496	31.0
68.99765	3.6
69.03078	4.2
69.03426	54.9
69.07059	32.7
69.29500	26.9
70.06588	3.4
71.01357	3.1
71.04990	11.2
71.08617	2.9
73.02913	6.9
79.05480	22.8
81.03417	46.0
81.07052	75.6
83.04958	3.7
83.08628	15.3
85.02898	100.0
85.06551	6.9
86.09702	3.0
87.00821	29.7
91.03945	2.6
91.05468	19.4
93.07029	31.7
95.04969	15.1
95.08600	82.3
97.02897	28.5
97.06520	5.5
97.10150	8.2
99.04450	18.7
101.02403	2.8
103.03967	3.7
103.05457	4.4
105.01851	23.6
105.07034	25.9
107.04939	5.3
107.08596	32.2
109.02870	41.9
109.06519	5.6
109.10153	43.4
111.04424	7.2
111.08063	4.2
111.11757	2.8
115.03911	5.0
117.01870	3.2
117.07008	5.4
119.08574	16.0
121.06514	5.7
121.10115	18.4
122.40895	2.3
123.04343	2.3
123.11695	22.8
125.09594	3.3
125.13311	3.0
127.03905	80.3
128.04295	2.6
129.01828	6.6
129.06995	4.4
129.65709	2.5
131.08536	8.2
133.10118	16.0
135.08078	4.3
135.11688	12.0
137.05946	6.2
137.09644	3.1
137.13252	9.2
139.07582	2.7
139.11198	2.8
143.08540	5.9
145.04964	15.9
145.10130	10.6
147.08031	4.0
147.11670	8.6
149.09579	2.7
149.13225	14.3
151.14828	10.2
153.09128	2.5
155.08447	2.4
157.10112	5.9
159.02884	19.3
159.08047	4.2
159.11693	10.7
161.09586	5.1
161.13258	9.8
163.11215	5.9
163.14832	8.4
164.12346	2.5
165.16408	2.3
171.11690	7.8
173.09630	4.8
173.13252	7.4
175.11099	2.8
175.14960	5.3
178.50916	2.8
181.10092	3.7
183.11681	3.2
185.13341	3.0
187.11139	2.5
187.14845	2.8
189.03978	3.3
191.14209	2.6
197.13239	3.2
199.14981	2.5
211.14864	2.7
213.03938	3.4
219.01791	2.7
231.05070	12.1
237.02835	5.2
273.18567	3.1
275.20187	2.9
275.27289	3.8
291.27090	3.0
293.21051	3.6
293.28497	15.1
302.05215	2.7
303.26767	4.7
305.28412	3.2
307.73981	2.5
317.28268	3.0
359.29358	3.2
383.29315	12.9
401.30099	11.5
419.31274	3.1
481.08600	6.4
487.30533	3.1
495.94009	2.6
505.31512	4.0
523.32666	2.7
541.21185	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	541.1894
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
52.83646	0.4
67.21142	0.5
68.99748	0.5
69.03410	0.7
69.07060	0.6
70.06573	1.0
71.57082	0.5
79.05460	0.7
81.03403	0.6
81.07040	1.2
83.04961	0.5
85.02883	1.7
86.71011	0.6
93.07047	0.7
93.47810	0.4
95.04977	0.5
95.08582	0.6
99.04501	0.5
105.07002	1.9
107.08618	0.5
109.10094	0.4
117.87878	0.6
133.03441	0.8
137.05952	0.8
143.07309	1.2
159.11720	0.5
175.04585	0.6
177.54622	0.5
186.09244	0.6
205.10677	0.9
223.11839	1.3
227.07417	0.6
249.09770	1.1
267.10681	2.6
291.06998	1.1
291.10611	0.7
303.15598	0.7
305.12741	0.9
309.11523	0.6
365.15680	10.7
375.12796	1.7
407.16745	1.6
424.13165	0.7
463.14560	1.1
479.18808	3.7
481.16077	2.4
523.17151	1.0
541.18866	100.0
542.19342	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	541.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24837	0.6
67.05499	0.8
69.03413	0.9
69.07082	0.5
69.75113	2.2
69.75534	1.0
70.06583	0.5
71.04993	0.5
72.08162	0.6
77.50714	0.5
79.05498	0.7
81.03413	0.7
81.07062	1.2
83.04987	0.6
84.08126	0.5
85.02887	1.5
85.06531	0.6
88.29278	0.5
91.03986	0.5
91.05465	1.0
93.07017	1.2
95.01936	0.8
95.04962	1.0
97.02930	0.6
105.06999	2.6
107.08578	0.7
109.10139	0.7
119.08576	0.7
121.06548	0.6
127.03963	0.6
133.03474	0.8
137.05945	0.8
145.10100	1.2
163.00000	0.6
223.11774	0.7
249.09706	1.2
267.10696	2.5
291.06891	1.4
291.10660	0.6
303.15656	1.3
365.15707	10.8
375.12964	1.1
407.16589	1.3
463.14474	1.0
479.18646	3.3
481.16125	1.6
523.16913	0.9
541.18878	100.0
542.19159	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	539.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73783	5.5
54.57002	5.3
55.05508	14.0
57.07072	18.2
61.01149	21.4
61.86761	6.3
65.03937	6.7
67.05505	41.5
69.07058	15.0
69.36323	7.6
69.36657	64.2
71.08609	10.5
72.04514	46.9
75.57656	5.9
78.03790	38.3
79.05495	30.9
81.07072	39.6
81.49247	8.0
83.08628	7.6
88.02191	8.4
89.06035	16.5
91.05492	25.8
93.07050	29.4
95.04942	8.3
95.08590	35.1
102.03777	56.8
105.07021	13.0
107.08570	11.9
109.10141	9.7
111.04438	9.3
114.03762	18.3
117.07029	7.4
119.08588	11.7
120.04779	10.9
121.10172	14.0
131.06387	22.8
131.08580	11.1
132.04785	36.7
135.11661	11.0
138.42499	5.9
142.08607	11.6
142.97543	6.2
145.10164	10.1
149.07446	98.8
170.71877	6.0
209.11737	6.0
238.76309	6.7
239.23569	6.8
261.12662	14.8
315.23227	6.9
332.25903	30.3
409.28845	100.0
415.47769	6.6
521.34192	73.1
539.39972	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	539.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01873	2.7
55.05312	1.5
55.05512	19.2
57.03439	4.8
57.07061	3.5
59.49783	1.6
65.03924	2.6
67.02448	1.5
67.05499	33.8
69.03400	1.9
69.07067	12.9
71.05003	2.6
71.57901	2.4
72.89747	1.8
74.78701	1.8
79.05489	26.5
81.07052	29.6
83.04968	2.8
83.08610	9.3
84.08139	20.1
85.06545	2.4
85.46145	1.8
86.26804	1.6
91.05472	30.9
93.07039	22.9
94.91102	1.7
95.04967	8.6
95.08595	20.8
97.06516	3.7
97.10162	5.6
99.08113	2.5
105.07021	24.5
107.04944	3.5
107.08583	13.0
109.06494	3.3
109.10138	7.0
110.76212	1.6
111.08071	2.2
117.07018	13.0
119.08579	17.6
121.06500	1.8
121.10138	7.7
125.09605	3.4
128.06238	5.6
129.06993	17.8
131.08562	17.7
133.10097	11.6
135.11679	4.2
141.06976	8.0
142.07762	3.7
143.08559	18.4
145.10103	15.2
147.11676	10.7
149.13171	2.0
153.06958	3.2
155.08530	18.8
157.06525	1.8
157.10129	12.5
159.11655	9.6
161.13257	4.2
161.98981	1.6
165.06956	2.8
167.08543	8.3
168.09300	4.1
169.10121	21.1
170.10753	2.1
171.11659	15.8
173.13277	4.8
179.08533	4.1
181.10109	19.0
182.10918	2.3
183.11650	19.1
185.13206	9.1
187.14841	3.4
189.11220	1.9
192.02875	1.8
193.10141	5.1
195.11711	14.9
197.13261	12.3
199.14815	5.5
207.02304	1.7
207.11658	4.5
207.13675	2.2
209.13170	10.0
211.14835	7.9
213.16440	3.0
219.11665	2.1
221.13290	5.7
223.14816	8.6
225.16267	3.8
233.13121	1.8
235.14819	3.8
237.16402	5.5
241.19572	2.6
245.13446	2.6
249.16331	2.2
259.20746	3.7
265.19440	2.0
293.18997	2.5
295.20663	2.0
307.24106	2.1
309.21970	2.3
311.20334	2.1
315.23138	2.3
321.22067	3.6
337.21408	2.2
347.23730	2.8
391.26471	2.0
429.31491	7.3
438.64450	2.1
447.32687	23.9
465.34094	9.9
483.34680	5.8
521.36340	13.1
522.37872	2.2
539.37219	100.0
540.37512	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	539.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.03424	2.4
67.05489	3.2
69.03441	2.5
69.07057	1.7
69.96899	1.5
70.06593	9.5
70.88522	4.0
71.04972	2.4
71.71829	1.6
75.58697	1.4
76.77369	1.4
79.05511	1.6
81.07040	5.5
83.04981	8.8
83.08588	1.6
85.02892	6.8
87.09222	100.0
88.01113	1.6
91.05470	2.9
93.07022	3.8
95.04977	4.0
95.08608	3.4
97.02901	1.6
100.11256	2.3
105.07012	4.8
107.08578	2.2
109.10170	2.7
113.06001	6.1
117.05507	4.8
119.08542	1.5
120.08142	1.8
121.06484	2.6
123.11716	1.5
129.10312	1.3
137.05971	41.5
138.06313	17.7
145.10158	1.5
147.11705	2.7
149.05911	2.4
151.11140	1.9
159.08133	1.5
161.05988	5.3
162.06390	3.8
169.12204	3.3
172.47983	1.7
175.07513	9.7
176.07877	7.5
187.07544	2.5
188.07834	2.0
189.09122	1.7
191.08530	1.8
193.08609	4.2
194.08893	1.7
195.11809	1.8
205.08615	1.8
211.13286	2.7
219.08113	2.1
219.10112	6.4
229.14316	3.7
251.10596	2.6
252.10985	3.6
279.10031	1.8
280.10550	3.8
293.08621	2.0
311.12723	5.0
312.13132	13.1
324.13092	4.5
342.14267	2.4
345.18839	2.3
453.34161	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	539.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.9
55.01858	7.3
55.05511	25.7
57.03426	10.2
57.07062	11.3
61.02930	6.1
65.03934	4.7
67.05499	33.7
68.99792	3.9
69.03424	58.2
69.07068	37.3
71.04990	9.4
71.08622	4.3
71.58088	3.3
73.02904	5.5
74.81042	2.6
79.05492	28.4
81.02981	5.1
81.03419	57.8
81.07048	77.9
83.01308	3.8
83.04970	8.1
83.08621	11.4
85.02904	80.8
85.06523	7.2
85.10168	2.7
87.00832	28.0
90.18422	3.0
91.05462	20.3
92.83057	3.2
93.07040	49.8
95.04984	15.6
95.08610	66.4
97.02885	30.4
97.06556	5.8
97.10165	9.3
99.04428	21.6
102.76858	2.7
103.03890	2.7
103.05407	2.9
105.01875	16.8
105.07019	41.1
107.08588	45.2
109.02873	61.7
109.06476	4.8
109.10159	36.9
111.04427	10.4
111.08089	12.2
111.11739	7.6
113.02386	2.8
117.01830	5.0
117.07005	7.3
119.08572	26.4
121.06505	6.3
121.10148	31.5
123.04418	6.5
123.08074	5.6
123.11702	16.6
125.09609	3.4
127.03907	100.0
129.01871	5.0
129.05482	3.2
129.07037	4.5
131.08536	11.9
133.10124	21.6
135.08101	4.4
135.11696	19.0
137.05994	5.8
137.13249	7.3
137.30566	3.3
143.08618	8.8
145.04955	14.1
145.10144	11.9
147.11681	24.5
149.09659	4.7
149.13263	29.7
151.07503	14.6
151.11220	4.4
151.14781	7.1
155.08537	4.3
157.10120	9.4
159.02904	16.0
159.08026	3.8
159.11732	12.3
161.09648	6.4
161.13272	12.5
163.14917	6.4
165.12695	3.6
165.16350	3.6
169.10130	3.4
171.11668	6.0
173.09633	3.9
173.13228	4.2
175.14867	6.3
179.98920	3.0
189.12738	26.4
189.16397	6.2
199.11383	3.8
203.17993	4.4
207.13824	6.5
211.14854	3.2
213.03969	5.1
217.19557	3.2
220.77788	2.9
231.04993	10.2
273.18497	7.5
273.25806	12.1
289.25354	6.8
290.60400	3.4
291.26932	15.3
309.27811	4.0
314.98352	3.5
333.27686	4.6
355.88800	3.2
381.27744	5.2
399.28986	5.8
417.29880	9.7
435.30936	5.9
485.28812	4.1
503.29666	6.9
521.31158	8.0
539.32343	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	539.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.6
53.35928	2.1
55.01855	9.1
55.05508	19.7
57.03414	4.8
57.07056	9.1
61.02913	4.2
65.03931	3.6
67.05173	3.6
67.05502	45.7
68.99773	5.8
69.03425	67.4
69.06721	3.1
69.07062	34.5
69.23847	26.2
71.04299	2.2
71.04987	4.4
71.08607	6.2
73.02898	2.6
79.05488	27.5
81.03415	35.2
81.07047	87.2
83.04960	9.2
83.08616	18.0
85.02897	36.1
87.00816	13.2
88.36589	2.4
91.05466	31.6
93.06483	3.2
93.07039	62.1
93.10853	2.6
95.04951	21.2
95.08601	100.0
97.02892	15.0
97.06550	2.4
97.10148	9.3
98.20781	3.6
99.04445	9.1
103.79538	2.3
104.34148	2.1
105.01828	5.1
105.07021	40.3
106.07905	2.3
107.04948	5.8
107.07876	3.0
107.08587	48.9
109.02879	26.4
109.06536	11.3
109.10155	46.5
111.04437	16.9
111.08067	6.9
111.11705	6.9
117.07005	8.5
119.08567	38.6
121.06487	9.4
121.10136	34.1
123.04406	7.3
123.08041	11.8
123.11703	19.8
125.05948	2.6
125.09636	4.2
127.03916	29.9
129.06973	4.4
131.08566	16.8
133.06476	3.6
133.10126	36.2
135.08038	7.0
135.11688	23.5
137.05951	5.2
137.09595	13.2
137.13252	7.4
139.11119	2.9
143.08540	10.0
145.04898	4.7
145.06488	3.7
145.10130	16.5
147.02852	3.3
147.08011	5.2
147.11700	19.3
149.09659	5.9
149.13240	19.0
151.11147	6.1
151.14815	4.5
155.10638	3.7
157.10098	7.4
159.02855	4.3
159.08084	6.9
159.11668	13.5
161.09613	11.6
161.13240	14.4
163.11234	2.8
163.14796	12.3
165.09244	2.9
165.12737	4.9
171.11696	4.9
173.09721	2.9
173.13239	5.5
175.11185	4.3
175.14806	7.3
177.12782	3.2
177.16385	5.2
179.10506	3.7
185.13277	2.8
187.14876	3.7
189.12616	2.8
189.16394	6.5
201.16371	2.6
203.17928	5.0
213.04060	2.8
213.12750	3.4
215.05498	2.6
215.17870	3.5
217.19388	4.6
231.04962	5.3
238.30894	2.8
271.24060	3.5
273.25760	9.2
289.25266	5.0
291.19363	3.2
291.26740	9.0
303.26694	3.9
313.25378	5.3
315.26755	2.9
327.26822	3.8
331.26443	11.6
333.27603	2.4
349.27335	8.9
355.26416	3.0
361.27155	2.5
369.27744	4.3
375.28885	3.3
381.27933	18.9
387.29059	3.8
399.28903	27.8
417.30060	21.9
485.29056	4.8
503.30133	19.0
521.30872	8.4
529.24097	2.9
539.32086	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	539.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01863	6.4
55.05519	27.1
57.07060	11.0
61.02926	7.2
67.05504	39.1
68.24057	4.1
68.67377	3.7
69.03426	41.3
69.07066	39.9
71.04977	4.4
71.08632	7.9
71.57970	8.3
73.02884	5.7
79.05495	26.4
79.43639	3.4
81.03407	34.6
81.07048	69.5
83.04969	7.1
83.08615	19.0
85.02896	40.5
86.55792	4.8
87.00832	13.8
91.05477	17.2
93.07040	51.7
95.04959	19.4
95.08606	100.0
97.02899	20.7
97.06555	3.7
97.10178	13.6
99.04456	9.3
100.62164	4.2
105.01862	12.4
105.07031	49.4
107.04974	6.3
107.08598	44.9
109.02875	17.8
109.06503	8.3
109.10146	50.4
111.04442	11.3
111.11711	6.7
117.07023	7.8
119.08583	24.9
121.06500	8.1
121.10157	32.6
123.04422	8.6
123.11701	29.0
127.03912	34.4
129.07011	5.2
131.08545	8.9
133.10109	21.4
134.18069	3.8
135.11708	20.6
137.05992	7.4
137.13246	9.7
143.08551	4.4
145.04991	6.8
145.10130	14.9
147.11691	21.2
149.13263	31.1
151.14897	6.5
157.10129	6.2
159.02837	7.3
159.11650	11.0
161.13254	16.3
163.14809	11.7
171.08054	3.7
171.11674	6.2
173.13309	4.7
175.14825	13.4
177.16422	9.9
183.11685	5.7
185.13191	6.4
187.14836	7.0
189.16422	13.3
191.18021	5.8
197.13281	3.8
203.17868	10.3
217.19525	7.1
231.05013	5.6
246.98611	3.9
270.80234	4.3
273.25705	16.4
291.26712	4.2
329.06509	9.4
329.76236	3.8
399.28915	4.9
493.77493	4.3
516.98169	4.0
539.16095	12.0
539.33276	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	539.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01863	6.4
55.05519	27.1
57.07060	11.0
61.02926	7.2
67.05504	39.1
68.24057	4.1
68.67377	3.7
69.03426	41.3
69.07066	39.9
71.04977	4.4
71.08632	7.9
71.57970	8.3
73.02884	5.7
79.05495	26.4
79.43639	3.4
81.03407	34.6
81.07048	69.5
83.04969	7.1
83.08615	19.0
85.02896	40.5
86.55792	4.8
87.00832	13.8
91.05477	17.2
93.07040	51.7
95.04959	19.4
95.08606	100.0
97.02899	20.7
97.06555	3.7
97.10178	13.6
99.04456	9.3
100.62164	4.2
105.01862	12.4
105.07031	49.4
107.04974	6.3
107.08598	44.9
109.02875	17.8
109.06503	8.3
109.10146	50.4
111.04442	11.3
111.11711	6.7
117.07023	7.8
119.08583	24.9
121.06500	8.1
121.10157	32.6
123.04422	8.6
123.11701	29.0
127.03912	34.4
129.07011	5.2
131.08545	8.9
133.10109	21.4
134.18069	3.8
135.11708	20.6
137.05992	7.4
137.13246	9.7
143.08551	4.4
145.04991	6.8
145.10130	14.9
147.11691	21.2
149.13263	31.1
151.14897	6.5
157.10129	6.2
159.02837	7.3
159.11650	11.0
161.13254	16.3
163.14809	11.7
171.08054	3.7
171.11674	6.2
173.13309	4.7
175.14825	13.4
177.16422	9.9
183.11685	5.7
185.13191	6.4
187.14836	7.0
189.16422	13.3
191.18021	5.8
197.13281	3.8
203.17868	10.3
217.19525	7.1
231.05013	5.6
246.98611	3.9
270.80234	4.3
273.25705	16.4
291.26712	4.2
329.06509	9.4
329.76236	3.8
399.28915	4.9
493.77493	4.3
516.98169	4.0
539.16095	12.0
539.33276	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	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42463	1.9
54.81780	2.0
65.66562	1.7
67.05516	2.4
69.03423	4.1
69.07056	6.7
70.06599	4.5
71.57147	2.8
76.06655	1.9
79.05471	2.6
81.03418	4.0
81.07055	3.4
82.19717	1.9
85.02909	13.8
86.09671	2.1
97.02883	3.3
99.04439	2.2
103.05453	2.3
105.07029	4.9
109.02845	3.1
109.10162	4.3
115.05461	7.4
119.04919	2.4
120.08138	2.8
122.02784	3.6
122.03639	5.8
125.05961	3.1
127.03952	2.4
129.06956	5.8
137.05975	84.3
138.06392	2.0
143.04929	7.3
153.01860	9.1
154.02162	2.4
157.06500	6.3
160.05226	13.3
161.09276	2.0
163.07608	2.8
171.02892	4.3
172.03329	2.1
172.05138	2.9
175.07533	100.0
187.07547	32.5
189.09131	6.5
203.08560	2.2
205.08586	19.1
231.08203	2.6
235.09779	11.6
251.10477	2.1
263.10712	2.4
271.09650	4.3
281.39063	2.1
286.81061	2.3
289.07013	7.3
290.07486	7.1
290.14163	6.8
291.10181	4.8
292.10675	2.2
311.12637	3.0
323.12769	4.8
341.13913	3.8
538.19269	3.8
538.43494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91534	1.2
53.03927	1.6
55.01852	1.8
55.05481	1.4
56.05019	4.8
56.27935	1.3
57.03432	2.4
60.70483	1.3
61.01136	2.5
61.02920	2.0
68.34135	1.6
69.03410	6.9
69.07071	2.5
70.06581	2.3
71.05013	1.6
71.57568	2.4
73.02917	1.3
76.56347	1.2
79.05495	3.8
81.03410	4.2
81.07021	1.8
82.06551	1.8
84.04472	2.8
85.02911	17.7
86.09710	7.3
87.04468	1.6
91.05466	5.3
93.07015	2.8
94.04155	2.4
94.74728	1.4
95.08598	1.8
96.61088	1.2
97.02887	4.8
97.06499	1.4
99.04395	1.7
101.07104	1.8
103.05470	4.7
104.01149	1.3
104.05328	18.9
105.01875	1.4
105.07033	4.6
107.04970	2.1
109.02861	2.6
109.06522	2.4
111.04482	1.9
111.71249	1.3
115.05447	4.6
119.04972	1.8
119.08542	4.1
120.08099	3.1
120.08889	1.5
121.06536	2.4
122.03635	5.8
123.04350	1.3
125.05927	1.4
127.03905	5.8
128.06250	1.4
129.06975	7.4
131.04930	5.6
133.06442	1.7
135.04326	2.2
137.05974	96.5
138.06319	4.0
143.04927	8.1
145.04944	3.6
145.06487	3.1
145.10130	2.2
147.08020	3.8
149.07414	3.0
151.03935	2.6
153.05470	3.6
157.06497	4.6
160.05206	15.7
161.05954	5.8
163.07542	7.2
166.08586	2.1
167.07011	1.6
172.05252	2.3
173.09567	2.7
174.06770	1.8
175.07547	100.0
176.00897	1.4
176.07928	2.0
177.05466	2.4
187.07544	33.0
189.09138	7.2
191.02206	1.4
191.08580	2.0
199.07578	2.3
203.08533	1.6
205.08620	14.6
211.07567	1.8
217.08546	4.0
219.08102	3.0
231.08188	2.7
235.07648	1.8
235.09642	12.6
237.02838	1.6
237.05544	1.3
239.07047	2.5
247.07379	2.5
248.08499	1.6
251.10738	2.8
259.07629	3.2
260.10629	9.5
263.10596	2.1
271.09567	1.7
276.07828	2.1
279.10245	4.8
283.09583	1.6
285.03470	1.4
287.05704	1.6
291.10059	6.0
296.10233	1.6
311.12775	8.2
323.12549	7.4
341.13852	5.2
370.17529	1.4
449.15512	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	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21820	1.1
57.03435	1.3
66.49538	1.0
70.06587	8.3
71.06928	1.2
79.05463	1.7
81.07063	1.5
85.02883	3.4
86.12101	1.1
86.31969	1.0
87.09193	1.1
91.05469	4.8
93.07040	1.6
94.04172	2.4
95.04942	1.2
95.84105	1.1
97.50914	1.0
100.11254	1.0
103.05454	3.7
105.07037	5.6
107.04922	1.1
115.05464	2.2
117.05458	1.2
117.07005	2.9
120.08118	7.1
121.06478	2.1
121.08426	2.7
122.03633	5.0
125.09566	1.3
129.07025	1.7
131.04985	1.3
132.05692	1.5
133.06471	4.3
137.05972	100.0
138.06279	2.8
138.12776	2.1
139.13048	1.2
145.06494	2.5
147.04352	2.0
147.07999	2.1
149.05974	4.3
159.08020	1.4
161.05975	15.9
162.06752	2.2
172.05219	1.4
173.05913	1.1
175.07535	25.8
177.09088	1.5
179.06996	1.4
180.28999	1.1
187.07549	6.5
190.07703	1.8
191.08514	4.7
193.08623	4.1
199.07489	2.8
203.08644	1.5
205.08632	3.4
219.08102	6.4
220.08847	1.1
224.67056	1.0
231.07983	2.2
236.08452	1.4
247.07445	2.7
248.08200	1.3
251.10701	7.8
263.10721	1.3
279.10153	8.6
291.10083	3.6
292.11069	1.3
296.10272	1.3
309.11121	1.3
311.12802	23.9
323.12769	7.0
329.13751	3.4
341.13751	4.8
396.20016	1.4
510.27304	1.6
543.55963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81196	3.0
55.01854	3.7
64.52466	3.1
67.05490	7.1
69.03414	5.8
69.07055	4.1
70.06564	6.0
71.04997	17.5
71.05343	3.4
71.57816	6.1
79.05479	5.2
81.03400	4.8
81.07042	13.8
84.08122	3.2
85.02905	21.7
91.05463	6.5
93.07046	5.3
95.04953	5.9
95.08619	5.1
97.02912	3.3
103.05463	6.9
105.07008	10.1
107.05033	4.1
109.02862	3.9
109.06521	6.7
119.08561	3.9
120.08097	4.7
121.10134	4.5
122.03656	10.1
127.03896	7.0
129.06958	4.0
131.04955	8.4
137.05971	100.0
139.03885	6.8
140.93427	3.3
147.04431	7.1
147.07872	3.7
149.06012	3.9
151.03902	5.7
161.05977	10.8
167.06996	3.7
175.07513	12.9
177.05487	5.4
187.07513	5.2
189.09132	4.0
191.06879	4.8
199.07521	7.1
211.07594	5.1
217.08383	3.8
235.07410	4.2
241.08635	4.2
269.08148	5.3
271.14468	6.2
277.08783	5.9
294.08780	6.9
295.09760	4.9
303.10205	4.5
311.12802	3.9
315.10025	4.5
319.09836	4.6
320.10593	3.8
332.10556	5.8
335.12817	10.8
347.12729	9.6
362.02728	5.1
365.13681	14.1
377.13956	4.4
387.12201	4.6
395.14676	6.6
418.13876	6.0
433.95154	3.5
448.15240	36.4
449.15976	4.1
501.18979	11.2
519.20068	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	537.1964
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
53.03931	1.4
54.59881	0.7
55.01859	2.5
57.03405	1.2
61.02926	1.7
65.03925	2.2
67.05495	2.2
69.03411	5.5
70.06607	1.2
70.69456	0.9
70.69820	2.6
79.05486	1.8
81.03414	9.6
81.07041	1.4
85.02425	1.4
85.02898	11.6
91.05468	1.7
94.04178	1.4
95.01341	0.8
95.04959	1.9
97.02879	4.8
99.04388	1.1
103.05473	1.8
107.04954	2.1
108.02097	2.0
109.02890	2.6
109.06481	1.8
109.10126	0.8
111.04444	2.0
112.46658	0.8
112.54212	0.8
115.05446	3.1
117.07054	1.0
117.25426	0.8
119.04976	1.0
120.08102	1.4
121.06557	1.0
122.03604	4.6
125.06004	1.4
127.03898	3.7
128.06226	2.6
129.06990	12.3
131.04927	3.8
131.08556	1.0
133.16173	0.8
136.07620	1.2
137.05972	76.3
138.06241	1.3
141.05455	4.4
143.04933	4.9
144.05644	0.9
145.05002	0.9
145.06493	3.5
147.04390	2.9
147.08018	1.0
149.05981	1.5
151.03902	100.0
151.04979	6.8
153.05466	5.1
157.06490	13.1
158.07190	0.9
160.05179	2.1
161.05995	3.4
161.09567	1.4
163.07549	1.2
165.05502	3.9
171.04425	3.6
174.06741	5.0
175.07524	6.1
177.05571	1.0
179.07002	2.9
187.07535	4.6
188.04745	1.3
189.05466	2.0
189.09077	17.6
191.07011	10.1
203.07022	37.9
205.08562	6.2
215.07033	3.4
217.56288	0.8
219.07990	2.0
221.08041	6.7
233.08073	12.0
235.07515	1.2
235.09589	1.0
243.06427	1.2
247.07414	2.5
261.09103	2.3
264.07831	1.3
265.08682	0.8
267.10178	1.4
271.05984	1.0
277.08624	1.4
279.10205	2.6
285.07471	1.4
286.08386	4.3
289.08560	1.6
291.10242	1.2
292.07312	1.1
295.09634	2.4
297.11234	1.2
306.08838	2.0
307.09644	5.9
309.11212	1.7
311.12894	1.9
321.11234	5.4
324.09879	1.0
327.12241	10.0
339.12296	13.9
345.13239	2.1
357.13345	27.3
359.14868	1.8
375.14508	8.3
385.58813	0.9
537.20117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
58.30500	0.9
63.97527	1.0
65.03928	1.6
67.05493	2.0
69.03414	4.4
69.07046	0.9
70.03802	0.9
70.06582	2.7
71.56871	2.0
71.57240	1.1
76.02164	1.2
76.92629	0.9
79.05477	2.6
81.03419	10.8
81.07057	1.3
84.04494	1.2
84.08130	1.4
85.02901	8.8
87.04462	1.1
91.05470	2.6
94.04160	2.0
95.04954	2.4
97.02890	4.1
99.14393	1.0
105.07043	1.4
105.16887	1.0
108.02085	1.8
109.02854	1.7
109.06511	3.0
111.04480	1.8
115.05463	3.1
117.79961	1.3
120.08057	1.2
122.03637	5.4
125.05944	2.3
127.03911	2.9
128.06219	2.9
129.07004	11.2
131.04907	1.8
131.08606	1.3
136.07578	2.1
137.05975	72.3
141.05453	3.4
143.04906	4.7
145.06462	3.2
147.04454	1.9
147.08018	2.4
151.03902	100.0
151.04985	6.2
153.05403	3.7
157.06517	12.0
160.05086	2.4
161.05957	3.2
164.07022	2.0
165.05486	1.8
171.04404	4.8
173.05939	1.2
174.06763	3.1
175.07535	7.8
176.04684	2.4
177.05548	1.3
187.07506	2.1
188.04750	1.8
189.05492	1.7
189.09116	12.9
191.07027	9.1
203.07033	46.4
205.08578	10.9
215.07027	2.3
219.08012	1.6
221.08055	6.3
223.21819	1.1
233.08052	13.5
235.07613	2.2
243.06454	1.8
247.07567	2.9
263.07062	1.4
265.08548	1.7
275.06723	1.3
277.08478	2.4
279.10107	4.3
286.08353	3.1
292.07071	1.2
295.09607	2.5
306.09119	1.9
307.09439	6.6
307.37802	1.2
311.12766	3.9
312.56580	1.2
321.11154	4.3
327.12247	11.4
339.12207	12.0
345.13205	3.3
357.13330	34.0
358.13297	1.5
375.14420	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	537.1963
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
55.01863	1.3
58.30500	0.9
63.97527	1.0
65.03928	1.6
67.05493	2.0
69.03414	4.4
69.07046	0.9
70.03802	0.9
70.06582	2.7
71.56871	2.0
71.57240	1.1
76.02164	1.2
76.92629	0.9
79.05477	2.6
81.03419	10.8
81.07057	1.3
84.04494	1.2
84.08130	1.4
85.02901	8.8
87.04462	1.1
91.05470	2.6
94.04160	2.0
95.04954	2.4
97.02890	4.1
99.14393	1.0
105.07043	1.4
105.16887	1.0
108.02085	1.8
109.02854	1.7
109.06511	3.0
111.04480	1.8
115.05463	3.1
117.79961	1.3
120.08057	1.2
122.03637	5.4
125.05944	2.3
127.03911	2.9
128.06219	2.9
129.07004	11.2
131.04907	1.8
131.08606	1.3
136.07578	2.1
137.05975	72.3
141.05453	3.4
143.04906	4.7
145.06462	3.2
147.04454	1.9
147.08018	2.4
151.03902	100.0
151.04985	6.2
153.05403	3.7
157.06517	12.0
160.05086	2.4
161.05957	3.2
164.07022	2.0
165.05486	1.8
171.04404	4.8
173.05939	1.2
174.06763	3.1
175.07535	7.8
176.04684	2.4
177.05548	1.3
187.07506	2.1
188.04750	1.8
189.05492	1.7
189.09116	12.9
191.07027	9.1
203.07033	46.4
205.08578	10.9
215.07027	2.3
219.08012	1.6
221.08055	6.3
223.21819	1.1
233.08052	13.5
235.07613	2.2
243.06454	1.8
247.07567	2.9
263.07062	1.4
265.08548	1.7
275.06723	1.3
277.08478	2.4
279.10107	4.3
286.08353	3.1
292.07071	1.2
295.09607	2.5
306.09119	1.9
307.09439	6.6
307.37802	1.2
311.12766	3.9
312.56580	1.2
321.11154	4.3
327.12247	11.4
339.12207	12.0
345.13205	3.3
357.13330	34.0
358.13297	1.5
375.14420	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	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05032	0.5
56.89481	0.1
57.03413	0.2
58.06618	0.5
59.07375	0.3
60.08159	6.6
67.05500	0.8
70.46636	0.2
71.07373	3.1
72.98354	0.1
79.05505	0.2
80.74430	0.2
81.07049	0.6
85.39472	0.2
86.09699	30.2
87.10026	0.3
91.05415	0.3
93.07011	0.2
95.08595	0.2
98.98456	3.4
104.10734	3.1
107.08622	0.2
109.10152	0.2
109.36274	0.2
115.72203	0.2
119.08580	0.3
124.99995	21.7
133.10017	0.2
143.01035	0.5
145.10136	0.2
149.13217	0.2
161.73364	0.2
167.05571	0.2
184.07327	100.0
185.07657	0.6
233.94777	0.2
258.10938	0.3
299.06055	0.5
474.98242	0.2
500.31503	0.9
518.32343	3.4
531.89435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01871	6.6
55.20639	1.1
57.03428	5.8
61.02919	2.9
67.01858	2.6
68.99787	6.1
69.03429	14.8
69.75835	7.0
70.06596	1.9
71.05003	3.5
73.02908	5.3
74.09766	1.1
75.12547	1.0
79.05481	1.7
81.03410	22.6
81.07056	2.9
83.01362	1.5
85.02900	44.0
87.00824	16.4
87.04453	1.4
89.03917	2.7
90.08027	1.1
91.03940	1.5
91.05473	2.1
93.06978	1.2
95.04964	3.0
95.08618	1.4
97.02888	17.8
99.04438	9.1
103.03937	1.6
103.05459	2.3
105.01866	7.2
105.07034	1.9
107.04958	2.7
109.02876	18.4
111.00780	3.4
117.01900	2.8
117.03400	2.5
119.04935	2.3
119.08581	1.7
120.08112	1.8
121.06448	1.5
123.04393	5.8
127.02975	2.0
127.03902	26.9
129.01849	3.7
131.04932	2.8
133.02858	1.8
135.04390	8.8
137.05983	10.4
139.03867	1.7
145.02840	6.4
145.04944	12.4
147.02870	2.8
147.04424	2.9
149.05978	1.4
151.03903	5.3
153.01820	81.4
157.06438	1.3
159.02873	12.3
161.05965	2.5
163.03903	43.1
165.01794	2.3
167.07004	1.5
169.01309	3.6
171.02885	8.9
175.07472	2.0
177.01825	3.5
177.05490	2.3
179.03407	5.0
183.02905	4.8
187.03874	2.9
189.01732	1.2
191.03348	7.0
195.02887	43.8
203.03539	1.4
205.04950	2.6
213.03899	2.1
215.03497	2.8
219.02875	10.9
231.05011	4.8
233.04343	2.0
237.03972	1.2
243.02916	3.8
261.03915	16.9
279.04922	2.3
289.07047	100.0
300.06555	1.4
313.07040	10.7
331.08072	11.5
355.08151	7.5
365.05176	2.5
379.07993	3.7
383.06097	3.1
397.09354	9.9
448.14719	1.5
485.76428	1.2
501.18777	1.6
537.27820	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	536.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01861	7.2
55.05501	6.7
56.31518	2.4
57.03422	2.6
57.44947	1.8
58.84828	1.9
63.41971	2.1
65.03951	2.5
67.05505	15.9
69.03432	11.8
69.07072	19.8
70.06590	3.3
71.01335	3.8
71.04992	10.1
71.18923	1.9
71.56294	2.9
71.56687	3.0
73.02892	3.6
73.06574	2.3
79.05499	21.1
81.03426	3.9
81.07059	35.6
83.04981	42.0
84.04493	2.7
85.02901	15.1
85.06536	6.1
86.09692	4.5
89.74076	1.9
89.88354	2.0
91.05442	20.4
93.07045	29.6
95.01330	6.5
95.04971	30.8
95.08602	5.3
97.02868	4.1
97.06531	43.5
99.04450	12.1
103.05479	3.7
105.07030	55.3
107.04956	6.8
107.08595	22.6
109.06519	33.9
111.04420	3.6
111.08076	7.3
113.02374	3.6
115.07532	2.4
117.07055	12.7
119.04955	9.2
119.08572	16.2
120.08150	2.9
121.06494	26.1
121.10140	17.6
123.04412	5.8
123.08038	2.8
125.05987	64.4
127.07573	16.0
128.06157	2.4
129.07005	4.7
130.07829	5.9
131.03473	2.1
131.04965	2.4
131.08553	26.0
133.06508	11.4
133.10107	4.6
133.48672	2.2
135.04434	2.1
135.08051	6.0
135.11688	8.4
136.06184	2.1
137.05966	27.0
139.07520	3.1
141.01849	7.2
141.05371	2.3
141.06964	3.1
143.07033	54.3
143.08398	10.4
144.09335	4.0
145.06491	8.8
145.10123	100.0
147.08102	3.3
147.11700	4.0
149.09630	5.7
151.07532	12.6
153.05409	3.8
154.07841	4.3
155.07129	3.0
155.08505	4.0
157.08601	5.3
158.07251	7.7
159.08066	6.6
159.11691	41.5
161.13281	2.2
163.11176	41.7
167.05602	4.0
167.07030	2.4
169.08801	3.6
169.10115	12.6
172.08797	5.0
173.09624	56.4
177.12816	12.3
179.08536	2.8
187.11198	76.4
189.12671	2.9
191.10649	37.1
197.09627	9.3
201.11203	6.8
205.12250	57.1
207.13896	2.4
209.11708	25.9
215.10677	75.9
216.12488	2.1
220.54932	2.4
223.13216	5.8
229.21753	2.4
233.09532	4.2
233.11731	63.8
251.12788	59.3
269.13736	12.9
281.17676	2.3
287.05411	15.9
288.05823	27.9
289.14200	4.9
299.06189	6.0
307.15347	16.4
325.16461	51.7
341.51431	2.6
343.17538	48.7
427.15146	2.9
501.19766	2.5
536.19690	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	536.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.0
69.03415	19.5
69.07063	30.3
69.25318	46.1
69.25734	17.2
71.04977	11.3
79.05498	23.3
81.03418	8.7
81.07034	16.6
83.04981	76.1
85.02906	10.9
91.05473	17.4
93.07035	36.3
95.04977	18.8
95.08606	8.5
97.06534	66.6
99.04435	20.4
105.07034	59.0
107.04948	16.0
107.08618	14.0
109.06522	23.1
111.08092	9.4
117.05478	15.2
119.04961	10.3
119.08572	10.7
121.06527	35.8
121.10143	10.6
125.06003	100.0
130.07813	7.1
131.08560	18.8
133.06529	7.4
133.67938	6.8
135.04443	8.3
135.08095	7.8
137.06006	17.9
141.07063	6.2
143.07027	54.2
145.06454	11.0
145.10117	82.1
147.11697	12.1
151.07578	12.7
153.01845	31.7
157.08711	7.2
158.07246	12.2
159.08080	15.5
159.11668	37.7
161.09578	6.2
163.03961	13.7
163.11163	56.4
169.10103	14.7
171.02910	9.3
173.09607	83.4
177.12746	20.1
187.11171	75.6
189.12801	8.4
191.10669	29.7
197.09677	12.6
205.12192	61.9
209.11772	8.8
215.10666	72.6
233.11714	82.2
251.12802	60.1
258.05460	6.3
262.96765	5.5
269.13705	7.7
287.05487	49.6
288.05826	77.2
289.07080	27.1
307.15317	11.0
325.16412	40.4
367.95178	6.3
388.71710	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	535.2874
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
53.72933	0.5
67.05499	0.7
70.67101	0.7
70.67457	1.4
81.07053	0.7
85.42854	0.5
182.30835	0.5
190.33502	0.5
251.12567	0.7
307.15054	0.7
313.36496	0.6
379.69730	0.4
491.29706	5.7
517.27875	0.6
535.28760	100.0
536.29376	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	536.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93847	1.8
55.05507	6.7
57.03429	1.9
58.99579	16.4
59.36922	1.7
67.05504	8.1
69.03422	3.2
70.06588	10.8
70.72796	5.8
71.04980	4.7
76.02227	100.0
76.03992	4.5
79.05486	8.1
81.03412	28.2
81.07056	8.4
83.04974	7.0
83.06104	2.3
83.08622	9.5
83.51090	2.0
84.04502	23.9
85.02908	6.5
85.04017	3.5
86.99065	5.7
88.02209	2.2
91.05473	15.1
93.07052	4.8
95.04967	6.6
95.08590	2.7
97.02860	2.9
97.06521	2.4
99.08118	2.1
105.07035	8.4
107.08569	3.4
111.08100	2.5
116.01675	22.8
118.50700	2.1
119.04982	9.8
119.08598	5.2
129.06972	5.9
130.05009	15.1
131.08559	2.4
133.10133	3.3
137.05980	10.8
142.03238	10.5
144.01125	14.3
147.04399	29.8
149.05934	2.1
151.03931	13.8
157.10127	4.4
162.02211	48.9
170.02827	2.7
175.11194	4.7
177.03311	6.7
179.04851	94.2
187.05359	3.0
193.12238	22.0
203.07068	5.8
205.08607	2.6
211.13290	36.0
215.04756	2.1
219.37514	2.1
220.85960	1.9
233.05888	24.9
233.08046	2.9
245.05965	4.6
250.12686	2.1
291.06317	3.6
306.07465	2.3
308.09088	82.0
339.12173	3.3
345.04614	11.6
357.13406	7.2
363.05380	2.6
366.67722	2.1
374.13696	3.4
483.74789	2.2
536.19592	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	535.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01861	4.4
55.05509	11.6
57.03441	19.3
65.03937	3.2
67.05504	37.6
68.99807	2.0
69.03413	10.8
69.07066	15.9
70.06594	4.3
71.01344	18.9
71.04987	4.9
73.02918	22.5
75.04471	3.0
79.05489	23.1
81.03408	4.8
81.07056	89.6
83.01337	2.6
83.04974	11.7
83.08633	7.7
85.02904	44.5
85.06521	7.5
86.09701	2.4
87.00797	2.7
91.05476	37.4
93.07037	19.4
95.01321	19.5
95.04964	7.0
95.08604	24.3
97.02889	9.4
97.06527	12.5
99.00829	4.0
99.04453	1.9
99.08060	7.0
100.11256	1.8
101.02358	6.9
101.06047	2.1
103.03920	5.5
103.05433	2.3
105.01873	1.8
105.07032	49.7
107.04928	3.0
107.08585	16.7
109.02872	3.7
109.06524	6.5
109.10170	5.0
111.00819	1.7
111.08053	1.9
113.02390	14.9
113.06019	1.7
117.07011	2.9
119.04913	1.8
119.08573	30.9
121.10132	24.7
123.04415	2.9
123.08089	4.1
123.11699	26.2
127.03899	6.3
127.07570	3.4
129.06955	2.9
131.03416	8.0
131.08539	3.6
133.10150	4.9
137.05957	13.0
141.01817	28.8
145.02866	2.2
145.04936	2.9
145.10114	4.4
147.04396	4.0
147.11679	100.0
151.03877	2.8
153.01816	3.9
157.10110	5.1
159.02892	3.7
165.12735	56.4
167.07039	4.3
168.64558	1.7
169.05109	2.1
175.11186	6.5
177.05482	4.3
183.13786	12.6
193.12299	8.3
197.91408	1.5
211.13283	4.1
213.05498	2.0
215.05443	4.1
229.14359	27.0
250.31006	1.6
267.15909	83.2
285.16956	59.6
287.02197	3.1
287.05469	63.9
287.07971	2.6
288.05939	2.0
341.19635	13.3
359.20639	29.3
421.73978	1.7
535.23962	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03930	1.2
55.01872	0.5
57.03419	1.3
61.02903	1.3
68.99791	1.3
69.03426	6.7
70.06551	0.5
70.23076	1.6
71.01340	0.5
71.04982	0.9
73.02903	1.2
74.10836	0.3
79.05494	0.5
81.03057	0.4
81.03423	3.9
81.07049	0.9
83.04947	0.4
85.02904	6.0
85.99151	0.3
86.09727	0.4
87.00816	3.7
87.04456	0.5
91.03942	0.6
91.05472	0.6
93.07024	0.8
95.04960	0.7
97.02876	3.0
97.06467	0.5
99.04461	2.0
103.05450	0.4
105.01878	2.0
105.07001	0.5
107.04936	0.7
109.02882	2.8
111.00789	0.9
111.04400	0.7
111.08040	0.4
113.02343	0.4
117.01846	1.1
117.05490	2.6
121.02858	2.8
121.06537	0.4
127.03910	4.9
135.08078	0.4
137.02315	1.1
137.05925	0.8
139.03807	0.4
143.08636	0.4
145.04997	1.1
147.04366	0.6
147.11641	0.5
151.03845	0.4
153.01814	4.4
157.06442	0.4
159.02899	4.2
159.06564	1.8
160.03740	0.4
163.07384	0.4
164.07417	0.3
165.01840	1.5
169.12239	0.6
170.19121	0.4
183.02879	1.0
184.92078	0.4
185.05949	0.6
211.13266	0.7
213.05475	1.4
231.04996	1.4
241.04897	1.1
257.06543	0.4
258.05276	1.0
269.04523	0.4
278.10492	0.3
278.14667	0.4
287.05487	100.0
288.05759	1.5
296.88922	0.4
299.05576	0.5
329.06570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24998	4.4
53.00748	5.3
53.03944	7.9
55.05502	22.2
57.03438	5.8
57.07069	7.2
61.02918	8.9
67.05173	8.0
67.05506	91.7
69.03423	6.4
69.07089	27.1
71.57674	6.9
74.16425	5.1
79.05482	42.6
81.03412	6.8
81.07057	100.0
83.08630	30.7
85.02909	11.4
89.06027	5.9
91.05466	25.8
93.07042	28.5
95.04951	7.8
95.08609	84.7
97.06528	10.0
97.10156	20.1
97.18264	6.0
103.09926	5.9
104.10743	11.3
105.07038	18.7
107.08591	26.9
109.10159	43.0
116.67377	4.7
119.08586	21.0
121.10148	28.4
123.11771	25.2
133.10127	18.4
133.43602	5.8
135.11729	8.1
137.13254	11.8
147.11725	11.9
149.13261	10.9
151.14833	7.5
156.20567	5.6
161.13264	16.4
163.14818	12.5
164.78233	5.1
165.16380	8.5
175.14806	13.5
184.07310	11.8
188.18195	5.3
189.16409	6.5
207.69429	5.3
224.94759	5.8
227.20056	12.2
245.22647	57.8
263.23712	75.4
337.27228	34.1
353.24664	7.8
371.25638	8.8
389.27341	7.4
463.27011	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	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	0.7
55.01854	0.4
57.03418	0.6
61.02921	0.6
62.78691	0.3
63.00614	0.3
68.99783	1.0
69.03429	4.8
69.40482	1.7
69.40899	0.6
71.04974	0.3
73.02892	0.7
79.05485	0.3
81.03418	3.3
85.02901	3.2
87.00823	3.9
91.03950	0.5
95.04971	0.3
97.02878	3.1
99.04445	0.7
105.01865	1.9
105.03365	0.4
107.04921	0.5
109.02889	2.3
111.00824	0.5
111.04443	0.3
117.01854	0.8
121.02872	3.0
127.03913	3.5
133.02779	0.3
135.04414	0.4
137.02325	1.0
143.00864	0.3
145.04921	0.9
147.04393	0.5
153.01811	4.5
157.06558	0.3
159.02878	2.7
165.01872	1.8
174.27750	0.3
177.03877	0.3
183.02904	0.8
185.06024	0.6
189.03857	0.3
213.05489	1.6
231.04727	1.4
231.06883	0.4
241.04887	1.2
258.05307	1.7
259.06070	0.5
285.07495	0.7
286.07855	0.5
287.05481	100.0
288.05884	1.6
353.06827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05509	1.1
56.05029	1.7
57.03431	0.8
58.06602	1.0
58.18946	0.5
60.08163	20.3
62.20590	0.5
65.65272	0.5
67.05505	2.2
69.07066	0.7
70.06567	0.6
71.07379	7.9
71.57193	1.0
72.08186	0.5
79.05482	3.4
81.07062	2.2
86.09705	57.4
87.10036	0.8
91.05487	2.7
93.07043	2.5
93.32191	0.7
95.08606	1.6
96.45396	0.6
98.98476	5.0
104.10743	100.0
105.07064	2.7
105.11093	0.8
107.08585	1.8
109.10139	1.1
119.08561	1.2
121.10142	1.2
125.00002	33.9
131.08594	0.7
133.10127	1.1
135.11577	0.6
143.01068	1.3
145.10149	0.8
159.11769	0.7
184.07338	98.3
185.07704	3.2
186.07820	1.3
258.11029	0.7
293.21048	0.7
314.41470	0.6
464.94528	0.7
498.29895	5.6
516.30859	25.6
534.31488	0.5
535.28473	0.7
544.10748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.9
57.03439	7.5
57.07062	11.1
58.81620	5.5
67.05505	71.4
69.07062	29.3
70.71381	19.4
71.08619	7.5
72.57853	5.2
79.05481	28.6
81.06591	6.5
81.07051	100.0
83.08619	23.1
86.09692	16.1
91.05466	22.9
93.07047	28.0
95.08604	81.2
97.06528	6.2
97.10152	15.4
98.01001	5.6
104.10731	31.5
105.07024	16.2
107.08601	16.5
109.10148	37.9
119.08589	12.8
121.10126	25.6
123.11687	21.1
126.82285	5.6
133.10095	18.2
135.11667	11.7
140.93626	6.4
147.11671	13.5
149.13226	11.9
151.14861	6.9
161.13272	13.1
163.14832	12.6
165.16435	8.6
175.14796	8.0
179.17935	12.3
184.07271	11.0
205.97537	6.1
245.22652	70.8
263.23700	87.9
337.27420	69.4
428.03537	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
56.47792	0.5
58.06601	1.8
60.08162	17.1
67.05502	2.1
70.06594	0.9
71.04956	0.6
71.07374	7.2
71.08643	1.1
71.58287	0.6
79.05482	2.2
81.07066	2.6
86.09703	52.5
91.05487	1.0
93.07020	1.4
95.04966	0.7
95.08587	1.4
98.98463	3.9
104.10741	100.0
105.07051	1.1
107.08601	1.1
109.10145	0.8
119.08585	1.0
121.10139	0.9
124.99999	28.7
135.11690	0.6
143.01041	0.9
144.43980	0.6
145.95241	0.6
179.14310	0.6
184.07333	95.3
185.07765	0.7
205.84032	0.6
229.44960	0.5
258.11182	1.1
268.67963	0.6
339.45520	0.6
351.25284	0.5
396.85962	0.6
424.78076	0.6
503.66690	0.5
516.30914	5.7
534.31915	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
58.06607	0.2
60.08160	6.8
67.05502	0.4
69.07048	0.2
70.11698	0.9
71.07369	3.2
79.05498	0.4
81.07047	0.5
86.09700	30.6
91.05478	0.5
93.07029	0.4
95.04904	0.3
95.49310	0.2
97.44444	0.2
98.98461	2.9
104.10743	3.2
105.07001	0.3
107.08564	0.2
124.99995	21.7
143.01050	0.6
151.20514	0.2
184.07326	100.0
185.07721	0.5
192.47743	0.2
258.10980	0.3
292.38797	0.2
465.19998	0.2
467.94458	0.2
498.29495	0.7
513.63904	0.2
516.30725	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.7
57.66699	0.2
58.06625	0.4
59.07393	0.2
60.08160	6.6
60.31815	0.2
60.90363	0.1
67.05491	0.3
68.00460	0.1
70.06604	0.2
71.07367	3.5
71.08634	0.2
76.63598	0.1
79.05477	0.3
79.88023	0.1
81.03416	0.2
81.07054	0.4
82.53767	0.2
83.04980	0.1
83.08641	0.2
86.09700	33.8
91.05492	0.3
93.07024	0.4
95.08569	0.2
98.20733	0.4
98.98457	3.2
98.99049	0.3
104.10049	0.3
104.10738	5.1
105.07053	0.2
109.10152	0.2
116.99503	0.2
124.99997	23.5
127.61458	0.2
131.08687	0.2
143.01047	0.5
176.22722	0.1
179.14355	0.2
184.07327	100.0
185.07664	0.4
219.36412	0.2
229.36008	0.2
258.10977	0.4
329.19513	0.2
366.37622	0.2
516.30829	1.0
534.24542	0.3
534.31885	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	533.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.2
57.03423	1.0
57.07070	1.8
58.47010	0.8
60.10484	0.7
67.05502	3.9
69.07061	4.1
71.58057	1.1
75.35153	0.8
77.98498	0.7
79.05492	2.3
81.03408	1.2
81.07053	3.2
83.08610	2.6
89.03918	5.9
89.87061	0.7
91.05484	1.5
93.07048	3.5
95.08602	3.3
103.91302	0.7
105.07012	1.3
107.08646	1.3
117.03376	16.2
119.08614	1.4
121.10194	1.2
127.98513	0.7
133.10123	1.4
135.04420	3.1
135.11667	1.5
139.43831	0.8
145.02843	41.4
149.06004	5.6
163.04008	1.4
163.13338	0.9
173.13208	0.8
177.05467	100.0
178.05821	0.9
186.05501	1.9
195.06566	1.5
307.47003	0.7
439.18362	1.0
459.06018	1.0
515.36853	1.4
533.33643	4.2
533.41608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05019	1.3
58.06585	1.1
60.08161	14.8
67.05487	2.5
69.77271	3.0
71.03547	0.4
71.07374	6.8
71.08627	1.0
79.05484	0.9
81.07044	1.6
86.09703	48.9
91.05441	1.0
93.07029	2.0
95.05005	0.7
95.08594	1.1
96.39278	0.5
98.20840	0.8
98.98476	3.8
99.08068	0.6
104.10738	100.0
105.07024	1.1
107.08618	0.6
119.08537	0.9
121.10172	0.4
124.99999	26.8
135.11674	0.6
138.60527	0.4
143.01047	0.9
145.02251	0.4
145.10156	0.6
151.11172	0.8
179.14252	0.9
184.07332	94.3
258.10880	1.4
281.72327	0.4
304.29773	0.5
331.66055	0.6
436.01468	0.5
443.19135	0.5
446.45557	0.4
468.82901	0.4
488.30478	0.5
493.12366	0.6
505.26797	0.5
516.30908	6.3
534.31897	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	533.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01867	5.5
55.05507	1.2
57.03422	3.1
61.02912	1.8
61.03464	0.8
67.05489	1.5
68.72948	0.9
68.99773	1.9
69.03431	14.5
69.61684	5.5
70.06555	1.0
71.04975	2.6
73.02907	3.5
76.02120	0.7
79.05476	2.8
81.03418	15.6
81.07047	3.1
85.02902	27.8
86.09686	1.8
87.00826	10.7
91.03922	1.1
91.05489	2.7
93.07030	1.8
94.04174	0.8
95.04942	1.6
95.08601	1.7
97.02887	11.4
99.04468	5.7
105.01862	6.7
105.07019	3.0
107.04941	1.7
107.08601	2.4
109.02886	11.9
109.06522	9.5
115.03937	4.0
117.07005	1.0
119.08529	1.7
121.06497	2.5
125.12463	0.8
126.05470	0.9
127.03915	19.1
129.01846	2.0
131.08566	0.8
133.06439	2.4
133.10114	1.1
135.08070	1.9
137.05975	100.0
145.04958	4.2
145.06328	1.4
145.10080	1.0
147.04396	2.6
147.08098	1.0
149.05963	3.7
151.03891	4.9
151.07590	0.9
159.02882	7.5
161.05986	24.8
162.06752	1.1
163.03920	1.1
163.07520	3.5
167.06934	1.1
174.09126	1.1
175.07520	2.8
175.11118	0.9
176.14310	0.9
177.05405	3.9
178.05032	1.3
179.07042	4.7
184.07237	0.9
187.07574	1.5
189.05438	1.3
191.07007	2.9
199.07578	0.8
201.05553	1.3
203.07013	4.1
211.07584	0.8
213.12195	0.8
215.07033	1.0
227.07005	2.2
231.04909	1.3
241.08589	1.0
245.08067	2.7
251.07021	1.3
257.11618	1.1
263.09119	0.9
268.12360	0.9
269.08044	2.4
269.11871	0.9
270.05209	0.9
283.09586	7.4
283.14505	2.7
284.10327	1.8
285.07617	2.9
285.11151	10.3
285.14243	1.3
295.09647	1.4
297.11200	6.7
299.12711	1.1
307.15097	2.3
309.11169	1.4
321.11276	1.0
327.12280	3.2
375.12119	1.1
391.10068	1.0
393.13229	5.9
497.13898	0.8
533.16895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43028	0.2
54.14470	0.2
55.05502	0.3
57.03415	0.3
59.18102	0.2
66.70809	0.2
67.05489	0.2
68.94872	0.2
69.03408	0.8
69.07039	0.2
69.52715	0.8
69.53134	0.8
70.06586	0.7
71.04973	0.3
72.08134	0.7
79.05450	0.2
81.03438	0.4
81.07021	0.2
83.04955	0.2
84.04512	0.2
84.08101	0.3
85.02890	0.7
86.09689	0.8
86.80387	0.2
91.05470	0.4
93.07018	0.3
95.04960	0.2
97.02885	0.4
97.06537	0.2
98.81697	0.2
105.07014	0.3
107.04945	0.3
109.02882	0.3
121.06514	0.2
123.04420	0.3
125.09606	0.4
129.06999	0.2
131.08609	0.2
134.03636	2.8
137.02330	6.5
137.05949	0.7
141.07013	0.6
147.04411	0.3
148.27605	0.2
150.82317	0.2
167.07062	0.5
169.06496	0.5
181.06438	0.4
183.04463	0.3
186.06737	0.7
196.05299	0.2
197.05975	2.1
201.05479	0.4
213.05423	3.3
214.06236	3.3
225.03249	0.4
225.05453	7.4
229.08656	1.1
242.05696	0.9
253.04944	10.9
254.05287	0.2
257.08139	0.3
269.04462	2.7
270.05222	18.5
285.07559	100.0
286.07950	1.0
287.05475	0.7
299.26428	0.2
311.10190	0.3
329.11304	0.3
371.11487	0.3
388.99411	0.4
402.97461	0.5
407.00455	0.5
455.00821	0.4
533.12555	0.4
533.20752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1287
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	1.5
55.01874	1.3
57.03437	1.3
61.02925	1.3
61.68810	0.2
68.99780	1.2
69.03426	8.5
70.10727	0.4
70.11105	0.8
71.01336	0.4
71.04974	0.6
73.02911	1.6
81.03413	7.3
83.01334	0.3
85.02900	12.5
87.00822	4.5
90.57352	0.2
91.03948	0.4
91.05463	0.8
95.04955	0.2
96.89519	0.2
97.02882	4.1
98.20802	0.2
99.04450	2.5
101.02364	0.3
103.03928	0.8
105.01862	2.1
105.03423	0.2
107.04955	0.2
109.02872	5.8
115.03896	0.3
117.01859	0.4
119.04970	0.4
123.04408	0.4
127.02957	0.4
127.03909	8.3
129.01796	1.0
133.02745	0.2
135.04465	0.2
145.02835	0.9
145.04958	1.7
147.02902	0.4
159.02878	2.4
159.04376	0.6
163.03899	1.6
167.03404	3.6
168.05698	0.2
169.06470	0.2
179.03368	0.2
183.08109	0.4
186.06635	0.3
187.05998	0.2
189.03935	0.4
196.05089	0.2
197.04269	0.2
197.05946	0.2
198.06798	0.3
201.09256	0.3
211.07573	0.5
214.06252	0.6
224.04663	0.7
226.06175	0.2
227.07005	0.3
229.08597	3.7
231.05139	1.1
239.07109	0.6
242.05696	2.3
246.07495	0.2
252.04153	0.3
257.08072	2.3
267.06534	2.0
268.07162	0.3
269.07959	0.3
270.05325	0.6
270.08661	0.2
283.06003	0.2
284.06876	0.3
285.07556	100.0
286.07849	1.4
309.07526	0.9
321.07813	0.2
327.08569	2.3
351.08685	0.3
447.12808	0.2
533.12561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1286
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
65.37102	0.1
69.03432	0.4
69.34348	0.4
69.34763	1.4
70.06576	0.4
71.04970	0.3
72.08148	0.2
81.03405	0.2
81.07040	0.5
84.08170	0.2
85.02890	0.4
86.09677	0.2
91.05472	0.3
93.07032	0.3
95.04970	0.2
97.24507	0.2
98.21592	0.3
98.71493	0.2
99.04350	0.2
105.07008	0.4
105.35966	0.2
107.08560	0.2
109.06538	0.2
109.10138	0.2
111.08045	0.2
111.11629	0.2
115.05494	0.2
127.03912	0.2
129.09134	0.3
129.97510	0.2
131.08574	0.2
134.03627	2.6
137.02330	6.4
137.05965	0.4
141.06979	0.5
155.04903	0.2
166.08604	0.4
167.07082	0.2
169.06491	0.7
181.06458	0.4
183.04391	0.3
185.06027	0.2
186.06761	0.8
196.05188	0.3
197.05994	2.0
211.07657	0.2
213.05458	3.4
214.06235	3.4
214.94920	0.2
224.04674	0.2
225.05466	7.7
229.08615	1.6
241.04947	0.3
242.05763	0.9
253.04950	8.4
257.08139	0.3
269.04404	2.5
270.05215	18.2
271.05386	0.2
285.07556	100.0
286.07990	1.0
392.35846	0.2
400.04132	0.2
512.90466	0.2
533.12946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.44682	0.2
53.03934	0.4
55.01854	0.4
55.05509	0.4
57.03423	0.3
61.02924	0.4
65.60014	0.2
67.05494	0.4
68.99794	0.4
69.03415	0.8
69.07061	0.5
70.06596	0.4
70.91142	0.6
71.04962	0.6
71.92799	0.2
78.67522	0.2
79.05479	0.6
81.03425	1.4
81.07071	0.2
83.08642	0.3
84.08138	0.4
85.02904	1.5
86.09692	0.5
87.00828	0.3
91.05468	0.8
93.07047	0.6
95.04951	0.5
95.08589	0.5
97.02852	0.7
99.04478	0.3
105.01808	0.3
105.07006	0.9
107.04949	0.5
109.02837	0.5
109.10170	0.4
111.04397	0.3
116.68725	0.2
119.04926	0.7
119.08571	0.5
120.08105	0.3
121.06493	1.8
121.10101	0.3
123.04412	0.4
127.03902	0.7
129.05469	0.3
133.02870	0.3
134.03633	0.6
137.02327	12.7
137.05948	1.5
139.03905	0.8
143.08652	0.3
147.04391	0.5
148.05208	0.3
149.02383	0.5
149.05917	0.7
151.03867	0.8
152.01096	0.3
161.05960	0.4
163.03909	0.7
167.07066	0.6
169.06404	0.3
170.02075	0.4
171.11723	0.3
175.03899	1.5
176.04680	0.6
177.05453	0.5
181.06348	0.4
183.08044	0.7
187.03935	0.4
187.07422	0.3
196.05124	0.4
197.05933	1.4
201.05464	0.7
204.42308	0.3
211.07527	0.6
213.05486	0.7
214.06236	0.8
215.06822	0.3
224.04654	0.6
225.05444	9.6
226.06096	0.3
227.03329	0.5
229.08580	6.0
235.76958	0.3
239.07013	0.5
241.08646	0.9
242.05748	1.3
243.06630	0.3
252.04210	2.4
253.04887	1.2
257.08041	2.3
267.06430	1.3
269.04434	0.5
270.05185	1.5
285.07547	100.0
286.07901	1.3
287.05597	0.3
309.07523	0.9
311.09821	0.3
327.08508	0.4
351.08749	0.4
354.52237	0.3
371.12115	0.3
375.08716	0.4
401.29556	0.3
411.10858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1284
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
55.01860	0.3
68.99773	0.3
69.03408	0.4
71.57790	0.3
79.05490	0.2
79.06863	0.2
81.03381	0.2
81.07051	0.3
85.02892	0.7
95.92294	0.2
97.02867	0.3
100.62238	0.2
105.07008	0.4
107.04913	0.5
109.02854	0.4
118.04136	0.8
119.34195	0.2
121.02880	0.3
121.06622	0.2
123.04420	1.9
124.01574	1.0
127.03909	0.4
133.06522	0.4
139.03896	0.3
144.05684	0.2
145.19830	0.2
149.02336	2.5
150.88669	0.2
152.01027	1.4
153.01823	1.7
158.03635	0.4
169.06485	0.3
170.02086	3.5
179.03357	0.7
183.08035	0.2
184.07262	0.3
197.05966	0.7
201.05391	0.3
213.05396	1.6
214.06248	0.5
229.08588	4.0
241.05020	0.5
242.05714	3.6
252.04236	0.6
253.04924	2.8
253.89212	0.2
257.08035	0.5
269.04407	2.5
270.05185	5.6
285.07544	100.0
286.07938	1.0
480.82013	0.2
532.38824	0.3
533.25574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.01872	10.2
55.05499	25.3
57.03421	5.2
57.07071	33.4
65.03934	5.2
67.05502	98.6
69.03431	4.7
69.07071	23.5
69.23555	26.4
69.23981	15.4
71.04990	9.3
71.08616	12.0
73.02917	17.9
77.00633	5.6
79.05489	61.9
81.03412	4.8
81.07052	100.0
83.04970	7.0
83.08602	11.8
85.06543	9.0
85.10165	13.1
87.04472	4.3
88.33533	3.6
89.14954	3.2
91.05472	67.8
93.07048	69.0
95.04969	14.3
95.08613	43.1
97.06522	8.7
97.10191	6.9
99.32759	3.6
105.00087	69.5
105.07021	53.5
107.08589	58.7
109.06517	8.4
109.10153	79.8
109.10916	4.0
111.08130	5.0
111.11768	3.4
117.07004	8.4
119.08606	16.1
121.10168	23.0
123.01107	7.0
123.11700	13.3
127.07486	5.1
131.08551	14.1
133.10121	87.8
133.11090	5.9
135.11703	19.1
143.08507	4.9
145.10141	10.8
147.11642	8.9
149.13251	11.0
151.11172	47.8
159.11685	4.4
161.13254	6.0
169.12212	6.8
171.11693	3.4
173.13257	8.4
215.12854	4.6
253.14354	85.8
261.22159	23.1
271.15247	4.2
279.05167	3.3
296.55673	3.7
345.20819	3.6
371.08505	4.4
437.49625	4.2
439.31967	4.5
513.35614	9.8
531.37769	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	3.5
51.79940	2.9
53.03936	4.2
55.01865	6.9
55.05505	37.6
57.03424	13.4
57.07071	14.6
65.03923	5.3
67.05505	80.8
69.03415	3.4
69.07061	30.4
69.39854	20.4
69.40258	6.4
71.04956	5.5
71.08620	6.9
73.02911	4.3
77.00646	4.3
79.05489	70.1
81.07051	74.1
83.04980	9.8
83.08637	20.1
85.06537	5.4
85.10179	4.4
91.05478	57.2
93.07041	71.4
95.04958	13.9
95.08607	46.6
97.06535	12.2
97.10155	10.9
98.20667	6.1
105.00079	26.9
105.04506	3.3
105.06385	5.8
105.07027	62.3
107.08592	37.5
107.72982	3.2
109.06497	5.0
109.10156	30.5
111.08089	5.1
115.05415	4.7
117.07019	22.8
119.08574	54.2
121.10138	26.4
123.08100	5.3
123.11684	9.0
125.09653	7.1
129.07040	19.3
131.08560	45.7
133.10124	40.8
135.08023	4.8
135.11697	36.0
139.11086	4.9
141.07027	6.7
142.07832	4.0
143.08553	29.0
145.10117	47.9
147.11690	36.4
147.29753	3.1
149.13289	10.4
151.11194	3.6
155.08557	10.8
157.10135	25.9
159.11674	36.4
161.09715	5.4
161.13239	15.1
163.11197	6.5
163.14792	4.2
167.08607	4.2
169.10103	13.2
171.11659	29.4
173.13248	27.2
174.24802	3.2
175.11238	3.6
175.14792	11.1
177.05508	3.3
179.10907	2.9
180.20514	3.2
181.10083	5.8
181.12090	3.5
183.11734	21.5
185.13229	22.9
187.14891	15.4
195.11742	8.3
197.11624	5.0
197.13222	10.8
199.13228	3.7
199.14854	10.6
201.16428	3.2
209.13312	7.8
211.14880	6.1
213.16431	4.4
221.13174	3.8
223.14861	7.5
225.16463	4.5
231.21022	5.1
241.19611	16.4
253.14452	6.8
255.15810	23.5
257.19016	4.5
259.20618	35.4
267.21439	3.8
271.15271	4.3
285.22043	6.8
297.22260	5.7
315.23245	7.7
327.23044	6.3
333.24451	15.5
341.24841	3.4
384.11200	3.3
403.29770	9.5
409.31113	4.8
411.32385	11.3
421.31143	29.5
427.32413	3.1
429.33472	5.0
439.32147	25.5
457.33078	23.6
465.33411	3.5
483.34387	4.3
485.36160	12.2
489.36188	4.6
495.34457	9.7
501.35596	7.2
503.37311	29.1
513.35773	100.0
514.36353	3.5
526.46472	3.4
531.36841	56.2
559.43079	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
53.59098	2.6
55.01865	9.4
55.05510	19.6
57.03424	4.6
57.07070	22.4
58.99569	3.5
65.03939	3.3
67.05506	93.2
69.03420	5.7
69.07062	32.2
70.04790	14.3
71.04984	6.5
71.08632	20.3
73.02917	13.4
77.00621	9.8
79.05492	60.6
79.08920	2.4
81.03427	7.1
81.07058	100.0
83.04982	10.2
83.08624	8.2
85.06525	5.8
85.10194	5.3
87.04462	8.5
89.03866	5.9
91.05480	70.6
93.07043	76.0
94.07429	3.2
95.04967	11.3
95.08608	41.5
97.06528	4.2
97.10188	5.5
99.04453	4.7
99.11777	2.7
105.00092	63.5
105.07024	56.7
105.07676	4.6
107.08589	62.1
108.08989	2.9
109.06515	10.0
109.10155	91.1
113.05994	3.5
117.03404	12.4
117.07047	10.5
119.08558	17.7
121.10139	21.6
123.01078	4.9
123.08104	3.6
123.11695	15.4
125.09647	4.0
127.07538	5.6
131.08546	18.2
133.10127	98.0
135.10847	2.9
135.11688	17.5
145.02847	29.7
145.10094	13.1
147.11697	9.9
149.05960	3.4
149.13243	8.5
151.11189	51.8
159.11710	10.2
161.13261	5.8
163.14838	6.2
169.12268	10.2
171.11691	3.2
173.13268	6.4
175.14845	3.6
177.05484	69.8
179.10533	3.6
187.14813	4.2
215.12869	4.6
233.61816	3.0
243.21106	5.8
253.14355	69.8
261.22122	14.3
278.76108	3.1
313.21661	3.3
317.24637	3.5
414.10016	3.3
415.10617	11.6
439.31662	4.8
455.03339	3.3
457.33221	4.6
459.13562	6.7
460.24854	3.0
487.12833	10.7
513.35724	10.2
531.15704	35.5
531.37921	76.4
532.15894	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	531.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.1
69.68665	0.6
69.69073	0.2
81.07033	0.2
82.32048	0.1
85.50422	0.1
89.03963	0.4
93.07038	0.1
95.01301	0.2
95.13527	0.1
98.20684	0.1
109.06541	0.1
109.10141	0.1
114.94685	0.1
115.05447	0.2
117.03362	0.1
120.06118	0.1
121.02854	0.1
129.06999	0.4
137.02362	0.2
141.06984	1.9
145.06418	0.2
147.04324	0.2
155.04869	0.4
157.06506	0.3
169.06483	2.2
181.06514	0.6
183.04417	1.7
191.34705	0.1
197.05965	3.8
209.06017	0.2
224.04663	0.4
225.05450	20.3
226.05780	0.3
227.06967	1.3
253.04947	19.3
254.05330	0.2
255.06497	0.3
265.18182	0.1
268.21378	0.1
277.57709	0.1
283.05991	100.0
284.06351	1.6
284.09283	0.2
340.12140	0.1
479.71790	0.1
531.11322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.197
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16220	4.9
70.24712	22.9
72.35375	4.9
98.08248	4.3
118.06543	19.2
132.49338	4.8
136.10968	4.7
144.08066	16.3
146.05986	57.4
147.52663	4.8
159.09222	7.9
170.05855	5.4
188.07045	100.0
205.09665	31.1
288.91464	5.7
551.01538	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	531.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03429	0.5
61.02898	0.5
64.11586	0.4
67.05480	0.7
69.03426	1.2
69.07059	0.9
70.01192	1.5
79.05490	0.6
81.03407	0.7
81.07059	1.7
83.04970	0.6
84.04483	0.6
85.02885	1.6
86.09682	0.6
91.05471	1.5
93.07046	1.0
95.04989	1.0
95.08597	0.9
97.02869	0.9
97.06524	0.5
98.20775	0.4
105.07038	1.4
107.08601	0.5
109.02905	0.5
109.06525	0.5
119.04905	0.5
119.08627	0.4
121.06415	0.4
123.11698	0.4
127.03859	0.7
127.21177	0.4
131.04819	0.4
133.10127	0.6
134.03653	2.9
137.05940	0.9
145.10107	0.9
147.04413	0.6
147.11668	0.4
151.03889	1.1
161.09775	0.4
162.03139	1.4
171.06612	0.3
175.03955	0.8
177.05466	0.6
203.05254	8.5
253.04713	0.4
267.06494	2.3
283.06000	3.4
283.08743	0.5
284.06784	13.7
289.09357	0.4
301.07034	0.6
303.63254	0.4
337.20114	0.7
351.28677	5.9
351.32648	0.4
355.77716	0.4
391.79428	0.4
531.35004	100.0
532.35547	3.2
533.86786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94455	2.2
53.03950	5.7
55.01869	6.9
55.05511	41.4
55.05770	2.2
57.03442	16.3
57.07064	4.0
59.04993	4.8
65.03937	4.7
67.05504	100.0
68.05840	3.6
69.07065	26.9
69.23920	27.2
70.07375	2.8
71.04995	4.7
73.02929	5.7
79.05492	56.3
80.05831	2.5
81.03413	12.8
81.07058	84.8
82.07400	5.8
83.04975	10.4
83.08620	24.0
85.02893	7.7
85.06535	6.5
87.04462	4.2
91.05484	41.3
92.05821	4.1
93.07047	56.9
94.07343	3.5
95.04980	10.3
95.08619	29.9
96.08937	3.1
97.06554	11.3
97.10168	12.4
99.08100	3.1
105.07027	21.1
106.07393	3.0
107.04955	3.3
107.08593	31.8
108.08932	2.7
109.06496	3.3
109.10146	34.7
111.08088	7.8
117.07000	13.4
119.08577	12.5
120.08984	3.0
121.06521	3.3
121.10132	17.8
122.10458	3.7
123.08044	2.6
123.11782	3.6
125.09636	18.8
129.05473	5.3
129.07021	5.3
131.08603	15.5
132.08902	2.9
133.10115	20.1
135.11694	17.7
143.08551	3.1
145.10129	9.0
147.11667	3.9
149.13269	20.3
151.11214	3.0
157.10185	3.6
159.11670	11.0
160.12048	4.1
163.11162	6.6
171.11607	3.3
173.11795	16.2
173.13112	4.4
177.12738	6.4
185.13248	2.8
187.14958	3.3
195.12054	3.1
195.13782	17.8
199.13295	7.6
209.11708	3.3
227.12837	3.1
229.14345	37.0
269.17471	42.0
289.10205	2.2
301.16443	5.3
355.98361	2.3
393.60928	2.3
423.27454	12.2
438.34683	4.1
446.50226	2.3
495.29486	10.3
512.37970	4.0
513.30511	6.8
530.39258	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.5
57.03448	7.4
66.03041	5.2
66.16307	5.0
67.05497	46.4
69.07064	21.3
69.79706	32.8
70.33908	4.8
79.05482	31.9
81.07053	94.9
82.96671	5.2
83.04974	10.0
83.08627	8.6
91.05479	42.2
93.07037	24.3
95.08595	21.7
97.06522	9.7
105.07024	41.3
107.05004	6.0
107.08571	23.3
107.09258	5.4
109.06535	10.3
109.10185	10.5
111.87340	5.4
117.07009	7.4
119.08576	43.6
121.10128	22.7
123.11707	28.0
126.31712	4.7
127.07518	7.0
129.06929	5.8
133.10130	7.4
134.66364	5.2
142.34045	5.5
145.10059	5.4
147.11688	77.1
162.39011	5.7
165.12756	32.2
203.82576	5.2
252.62431	6.3
259.20523	9.6
267.15881	72.6
285.16940	100.0
351.25208	7.8
447.12418	7.6
477.28336	18.5
495.29382	41.4
530.15039	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.3
56.14847	1.2
57.03431	7.5
59.04985	1.6
67.05496	26.8
68.42709	1.1
69.07058	12.4
70.15392	5.8
71.04975	4.1
73.86958	1.2
76.97195	1.2
79.05484	16.2
81.03394	1.6
81.07049	77.4
83.04966	6.1
83.08593	8.6
85.06526	4.9
87.04462	1.1
91.05464	21.2
93.07033	12.0
95.04942	2.4
95.08596	14.8
97.06525	7.3
99.08076	4.7
101.05988	1.7
105.07021	33.5
107.08577	11.2
109.06514	3.7
109.10130	1.4
117.06965	1.2
119.08567	23.0
121.10123	20.0
123.08044	4.0
123.11691	26.0
127.07516	2.9
129.07010	1.1
131.08571	1.4
133.10098	2.6
137.13277	1.7
145.02817	2.8
147.11678	60.9
157.10112	3.4
158.50575	1.2
165.12729	28.1
175.11145	2.5
177.05452	2.9
178.05789	2.2
183.13782	3.7
193.12221	2.0
211.13249	1.3
222.75705	1.2
229.14302	8.1
267.15897	74.1
285.16928	100.0
336.29150	1.2
366.23886	1.3
403.24460	1.5
459.27478	1.2
477.28400	11.9
495.29520	37.5
516.00208	1.2
530.28217	7.2
530.35718	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
54.00903	1.0
55.01876	2.5
55.05511	18.6
55.88982	1.0
57.03428	5.4
57.07079	2.7
58.70050	1.1
65.03933	3.9
67.05501	59.6
69.06721	2.0
69.07063	23.1
69.24574	14.6
71.04973	3.7
77.03909	1.3
79.05486	51.6
81.03414	3.6
81.05099	1.1
81.07051	67.1
83.04980	3.8
83.08618	12.9
85.06551	3.5
87.04473	2.6
91.05476	33.7
91.06015	2.3
93.07037	56.2
95.04963	8.6
95.08602	34.0
97.06534	6.2
97.10168	4.0
99.08076	2.3
105.07027	24.6
107.08588	29.0
109.06538	2.3
109.10156	14.4
111.08089	3.9
113.09661	1.4
115.05424	1.5
116.56506	1.1
117.07018	15.2
119.08569	22.4
121.06539	1.5
121.10136	23.6
123.08044	2.4
123.11730	5.2
125.09631	1.7
128.06190	1.6
129.07024	4.4
129.64386	1.3
131.08556	23.4
133.10107	16.5
135.11668	11.4
142.07774	1.7
143.08549	9.7
144.09282	1.2
145.10120	15.9
147.11693	8.9
149.13249	16.0
155.08571	2.2
157.10139	8.9
159.11691	15.5
159.12897	1.8
161.13240	5.8
163.14803	2.0
169.10136	3.4
171.11676	6.2
173.13232	8.1
175.11209	1.2
175.14880	2.6
177.12759	2.6
181.10155	2.7
183.11757	3.3
185.13257	5.4
187.14821	4.2
195.12137	1.3
195.13808	5.5
197.13306	4.5
199.14830	4.2
201.16402	1.7
213.14668	1.5
213.16446	1.5
223.14822	1.9
225.16296	1.8
259.20749	2.0
261.22202	2.8
271.20786	1.6
285.22205	2.2
297.22275	1.4
299.23770	1.6
311.23703	1.3
364.23221	1.2
367.26801	1.4
419.33282	3.5
437.34305	11.4
455.35141	4.9
473.36325	2.9
511.38037	5.5
529.38892	100.0
530.39197	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.5
53.03942	4.2
53.08202	1.5
55.01858	2.2
55.05512	22.0
57.03433	7.5
57.07072	5.3
61.62482	1.5
65.03929	3.4
67.05503	77.0
69.03444	2.3
69.07069	29.2
69.23878	20.8
71.04979	4.5
79.05493	61.5
79.51456	1.5
81.03400	4.4
81.07056	88.0
81.92751	1.7
83.04987	5.0
83.08616	14.9
85.06541	3.5
87.04496	1.7
91.05479	38.8
93.07044	75.5
95.04964	11.0
95.08602	43.9
97.06549	9.8
97.10181	4.3
98.20717	3.4
99.08080	2.8
103.05462	1.4
105.07025	26.8
107.08605	39.9
107.09310	3.0
109.06505	4.6
109.10142	13.7
111.08085	4.5
117.07005	14.5
119.08576	14.9
121.06547	1.8
121.10139	29.6
123.08064	1.7
123.11722	5.8
128.06229	1.9
129.07022	6.6
131.08557	20.5
133.10129	16.2
135.08165	2.4
135.11681	18.7
143.08591	6.3
144.04875	1.7
145.10121	14.5
147.11668	9.1
149.13268	28.2
155.08568	2.1
157.10138	5.4
159.11688	17.7
161.13286	5.7
169.10155	3.0
171.11713	5.5
173.13281	9.9
175.14845	2.6
177.12744	4.9
183.11781	2.2
185.13318	3.9
187.14857	4.0
195.11737	1.7
195.13860	8.2
197.13341	1.8
199.14867	3.0
201.16469	2.8
211.15115	1.7
256.26428	7.1
261.22220	5.0
317.24850	3.5
356.75928	1.9
437.34229	8.1
455.35400	3.7
529.38934	100.0
530.39282	4.5
556.69818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67994	1.1
53.03940	5.5
55.01855	1.6
55.05512	23.0
57.03432	4.5
57.07079	4.2
65.03927	3.4
67.05503	78.9
69.07067	24.8
69.34010	13.2
71.04984	3.3
79.05492	60.3
81.07056	84.9
83.04996	7.2
83.08621	14.5
84.08944	1.2
85.06544	2.9
85.49529	1.1
88.24799	1.3
91.05482	39.2
93.07043	74.4
95.04962	12.3
95.08606	42.0
97.06528	9.5
97.10168	3.5
98.18311	1.2
98.20782	2.3
99.08102	2.8
99.22456	1.3
105.04524	1.9
105.07044	21.7
107.08593	39.7
109.06532	3.5
109.10161	12.0
111.08087	4.3
117.07018	14.9
119.08588	13.9
121.10146	29.9
123.11723	2.3
129.06992	3.4
131.08560	19.0
133.10139	12.4
135.08037	1.8
135.11703	16.6
139.11169	1.3
143.08585	3.7
145.10112	12.8
147.11664	8.1
149.13251	26.9
153.09013	1.5
155.08551	2.4
157.10123	4.6
159.11693	18.9
159.26315	1.4
161.13234	6.3
165.12825	1.3
169.10173	1.7
171.11671	3.4
173.13274	5.2
175.14961	1.2
177.12802	3.6
183.11716	2.0
185.13326	3.3
187.14848	3.5
189.93863	1.5
195.12105	2.2
195.13840	8.8
199.14857	2.8
201.16345	1.9
213.16512	2.1
243.21056	2.7
246.15134	1.5
261.22177	5.8
297.22339	1.7
437.34421	6.7
455.35318	3.0
511.37921	2.9
529.38885	100.0
530.39166	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05492	0.8
57.03428	0.7
61.02931	0.8
67.05499	1.8
69.03423	3.2
69.07052	0.6
69.99961	0.4
70.03745	0.7
70.06615	0.7
71.18238	0.5
71.18586	1.0
73.02934	0.8
79.05475	1.5
81.03407	1.8
81.07047	1.6
85.02899	5.3
86.03220	0.9
87.00822	2.0
87.04468	0.7
87.50610	0.4
91.05494	1.0
93.07016	1.3
95.04999	0.6
95.08603	2.0
97.02892	3.1
105.01863	2.8
105.07043	1.4
107.04951	0.6
107.08565	0.7
109.02889	1.3
109.06541	0.5
109.10130	0.7
110.03178	0.5
115.03933	0.9
117.07081	0.6
119.08569	0.9
127.03896	2.9
128.04227	1.1
129.06973	0.5
131.08598	0.6
133.10139	0.8
135.11732	0.6
145.04974	1.1
145.10136	1.1
149.09561	0.5
157.10175	0.5
159.11760	0.8
203.05278	9.0
231.04996	0.8
232.05423	0.9
274.18860	0.6
275.20007	0.6
349.23331	1.0
349.27170	4.2
499.32590	0.8
513.24597	0.6
529.33435	100.0
530.34021	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.3
56.96560	13.2
57.03432	20.6
57.43006	12.8
60.16574	12.1
62.83825	11.4
67.05491	93.9
69.07059	34.4
71.57953	12.9
71.58337	19.4
79.05501	77.3
79.15261	11.2
81.03390	28.2
81.07053	100.0
82.03436	11.6
82.10901	11.0
83.04963	13.6
83.08607	20.7
83.59797	10.6
85.02916	26.3
91.05476	60.5
93.07043	63.2
95.04977	26.5
95.08598	50.4
97.02860	14.4
105.07014	45.2
107.04955	24.2
107.08583	49.4
109.06528	18.0
109.10152	19.7
112.29929	15.3
117.06975	16.6
119.08559	43.1
121.06429	12.7
121.10111	28.3
123.11703	11.5
129.07013	13.0
130.18518	10.7
131.08578	22.8
133.10144	28.2
135.05737	11.6
135.11655	40.1
137.06059	11.9
142.08815	11.9
145.10181	31.3
147.11655	44.9
149.09552	18.0
150.75952	11.1
156.56561	14.5
157.10060	13.6
163.11183	46.0
163.13429	12.6
165.28857	11.1
173.09631	23.6
181.12267	15.8
191.10701	24.0
265.14285	37.1
267.15891	63.1
267.46683	13.1
283.15378	35.3
301.16458	35.3
475.27014	16.5
529.34778	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62874	2.0
53.03930	5.7
55.01872	14.6
55.05509	23.9
57.03437	22.2
57.07052	2.4
61.02923	47.8
67.05501	52.4
68.17005	2.3
69.03425	29.8
69.06726	3.2
69.07068	37.6
70.06569	1.9
71.01351	3.5
71.04986	9.8
71.57621	3.6
73.02910	23.6
79.05495	43.6
81.03421	17.9
81.07056	100.0
83.04967	10.7
83.08610	15.3
85.02904	43.1
85.06538	6.2
91.03957	25.0
91.05476	39.7
93.07050	38.7
95.04955	17.2
95.08601	31.9
97.02891	40.2
97.06515	19.3
97.10150	9.5
99.04433	8.8
99.08083	6.7
101.02387	11.6
103.03920	3.6
105.07026	48.4
107.04937	18.2
107.08586	29.5
107.70244	2.1
109.02911	10.1
109.06512	20.8
109.10149	13.1
111.08051	6.3
115.03912	3.4
115.05500	2.0
117.06998	13.1
119.08568	32.5
121.06499	7.9
121.10145	18.1
123.08035	6.9
123.11711	10.4
125.09597	7.7
127.03926	16.8
128.06320	2.1
128.69669	2.3
129.05449	2.6
129.06999	6.4
131.08546	17.9
133.06482	2.3
133.10114	21.0
135.08063	6.1
135.11679	8.2
137.05994	4.8
137.09601	8.2
143.08574	3.8
145.04938	3.6
145.10117	19.1
147.11682	30.2
148.41725	2.3
149.09608	17.8
149.13235	9.2
151.11180	4.2
157.10095	5.7
159.07863	2.5
159.11659	15.3
161.13243	5.8
163.11165	11.2
163.14743	2.0
165.12689	12.0
169.10126	2.7
171.10252	3.1
171.11659	6.1
173.09665	3.2
173.13284	8.1
175.11148	5.0
175.14828	4.3
177.12711	5.7
187.11111	3.3
189.11206	6.4
195.13852	5.4
197.13251	2.1
201.12602	3.7
204.11551	2.0
209.06868	2.0
215.14458	2.8
219.13551	2.1
227.12772	4.8
233.15302	2.6
239.18034	3.3
245.13902	5.8
247.20560	6.0
257.19028	13.6
275.20050	79.5
287.13770	2.2
293.21014	19.9
321.56247	2.3
349.23804	19.4
367.24762	43.8
529.29169	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.1
55.01852	12.3
55.05503	30.5
57.03434	23.1
57.03658	3.4
61.02924	44.8
63.29876	4.8
65.03950	6.2
67.05175	5.5
67.05498	74.9
69.03427	34.0
69.06747	4.0
69.07063	29.1
71.04985	9.7
71.57929	6.4
73.02911	24.1
77.36465	3.3
79.05486	60.4
81.03416	24.9
81.07050	100.0
83.04964	13.4
83.08590	18.4
84.00237	3.1
85.02899	44.1
85.06509	5.6
91.03955	21.7
91.05476	47.6
93.07038	53.4
95.04952	11.0
95.08598	42.7
97.02890	28.9
97.06530	20.7
97.10156	11.7
98.63549	3.3
99.04471	5.1
99.08061	6.5
101.02355	7.4
103.03901	5.6
105.07022	45.3
107.04961	23.7
107.08587	38.7
109.02849	8.4
109.06499	13.2
109.10161	22.1
111.08096	4.4
115.05401	3.5
117.07027	20.6
119.08574	40.8
119.35303	3.3
121.06514	6.8
121.10106	16.1
123.04473	3.3
123.08094	9.1
123.11687	10.1
125.09607	5.5
127.03921	11.3
127.18261	3.1
129.06966	4.6
131.08556	24.7
133.10133	39.0
135.08029	11.5
135.11694	12.7
137.09601	3.7
143.08521	5.2
145.10127	19.6
147.11691	25.6
149.09584	12.6
149.13266	13.3
151.11163	6.4
157.10098	8.6
159.11705	18.9
161.13213	5.7
163.11140	13.5
165.12762	3.7
171.11723	6.0
173.09633	3.7
173.13278	10.8
175.11058	4.5
177.12695	5.6
183.06419	4.4
183.11620	5.0
189.11241	5.7
195.13779	9.4
197.13268	4.8
239.17920	5.3
257.19037	11.8
263.19852	3.4
269.17422	14.7
275.20029	68.2
275.22781	6.4
293.21204	5.5
349.23694	43.4
351.94757	3.8
367.24719	32.4
413.10138	15.0
457.12421	4.2
485.12268	10.4
529.14819	13.1
529.33618	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.2
55.05515	19.3
56.96564	10.8
57.03429	12.6
60.25700	8.4
61.02921	19.1
61.58046	9.6
67.05514	69.4
69.03416	17.8
69.07060	27.5
71.04968	11.5
73.02924	13.4
79.05496	42.6
81.03420	16.4
81.07063	70.0
83.04996	10.7
83.08593	14.1
85.02905	32.7
91.03944	20.2
91.05477	63.5
93.07055	61.0
95.04972	26.9
95.08595	38.6
97.02893	19.1
97.06517	20.2
98.30809	12.2
105.07037	48.3
107.04957	16.6
107.08620	27.5
108.43549	9.8
109.02878	9.6
109.06530	20.7
109.10144	26.8
113.44417	9.1
119.08572	38.4
121.10123	24.1
131.08562	24.3
133.10121	24.1
135.11679	17.5
137.39772	10.0
145.10083	23.8
147.11681	23.8
149.09650	13.3
157.10144	14.1
159.11661	17.1
173.13268	10.1
187.14716	11.6
257.19031	16.2
275.20004	77.1
302.94986	9.5
349.23618	100.0
401.08923	9.8
529.34167	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07470	3.4
53.03926	10.6
55.01863	14.3
55.05511	27.2
55.51259	3.2
57.03439	21.6
58.22028	3.5
58.61771	3.4
61.02925	55.7
65.03907	4.3
67.05177	4.6
67.05505	65.4
69.03425	28.3
69.07068	25.5
70.15602	12.4
70.16005	6.6
71.04984	9.3
73.02922	20.1
79.05492	49.7
81.03413	18.5
81.06597	4.4
81.07056	88.4
83.04964	12.5
83.08587	13.8
85.02908	52.1
85.06559	5.1
91.03931	29.8
91.05482	45.8
93.07029	44.4
95.04945	15.9
95.08608	39.1
97.02878	39.3
97.06522	18.4
97.10167	8.7
99.04472	7.0
101.02377	9.9
105.07031	50.3
107.04954	12.3
107.08592	29.8
109.02851	8.6
109.06499	14.6
109.10136	19.2
111.08083	7.5
117.07000	13.2
119.08571	41.2
121.06474	7.1
121.10133	21.5
123.08071	11.6
123.11688	12.6
125.09606	7.1
127.03898	16.1
129.06946	4.7
131.08546	22.3
133.06419	4.2
133.10138	35.9
135.08037	9.2
135.11671	11.6
137.05991	6.3
137.09625	6.1
143.08499	6.4
145.05009	7.4
145.06465	4.8
145.10133	26.5
147.04424	4.1
147.11668	22.3
149.09593	16.5
149.13242	8.5
151.11127	4.7
157.10091	12.0
159.11652	12.4
159.32866	4.0
161.09525	4.9
161.13257	6.6
163.11165	11.8
165.12714	11.1
171.10184	3.7
171.11641	5.6
173.11775	6.4
173.13191	8.1
175.11162	7.3
177.05537	3.6
177.12663	4.7
185.13258	3.5
187.14761	3.7
189.11191	5.7
193.12199	4.7
195.13780	4.4
197.13213	4.1
219.13640	3.9
229.19576	4.7
239.17979	8.4
244.48383	3.7
245.13617	5.9
247.20573	9.7
257.19055	16.7
261.14819	4.7
269.17416	5.3
275.20047	100.0
293.21027	14.4
335.18268	4.2
349.23572	25.6
353.19327	5.5
365.80374	3.5
367.24811	46.2
529.23352	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	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	20.7
56.63494	3.6
57.03436	9.4
63.24262	4.0
67.05500	100.0
69.07059	19.7
71.01356	4.9
73.02856	4.0
77.79275	4.8
79.05487	49.9
81.07055	91.2
83.04954	4.6
83.08600	6.6
85.02893	9.7
91.05490	36.5
93.07046	60.6
95.04950	9.4
95.08601	67.3
97.03007	3.8
97.06530	7.2
97.10183	6.7
105.04436	4.6
105.07021	27.0
107.08592	45.2
109.10159	37.5
111.85884	4.5
113.02325	6.2
117.07020	14.9
119.08581	28.4
121.10132	31.5
121.33353	4.0
123.11736	19.6
129.07033	9.2
131.03413	5.1
131.08548	25.8
133.10060	19.3
135.11681	26.0
137.13251	7.1
141.01834	7.9
143.08589	7.5
145.10095	22.2
147.11670	13.0
149.13252	15.2
159.11693	12.0
161.13260	8.1
163.14841	9.2
168.74165	3.7
169.10226	4.0
171.11691	7.1
173.13298	9.9
185.13303	5.3
187.14844	6.2
191.69093	4.2
195.00392	7.0
241.35226	4.3
243.21194	12.0
261.22147	66.7
279.23212	9.4
326.23920	4.6
335.25803	21.5
353.26767	46.3
355.22565	5.0
373.00714	4.8
529.24982	12.9
529.39258	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89108	1.5
55.05514	1.6
58.62913	2.0
66.02280	1.5
67.49219	1.6
69.07066	11.1
70.02928	3.1
70.06579	7.1
71.57539	2.9
72.08134	5.5
81.03402	2.6
81.04536	1.9
82.02922	3.9
86.09705	100.0
87.05575	6.8
93.07063	1.7
97.02862	1.7
97.03988	5.4
97.06548	2.0
98.02409	2.9
99.05576	2.1
108.04460	2.1
109.02855	1.9
109.03983	2.4
110.09650	2.2
120.08109	1.6
121.06479	1.5
121.10268	1.8
124.03905	1.6
124.05056	6.2
125.03468	5.7
126.06599	3.0
127.03880	2.0
135.01903	3.1
142.06116	5.2
147.08064	2.0
152.04565	11.9
155.11780	2.3
158.05730	1.6
166.08554	3.9
170.05602	4.4
170.95808	1.8
177.56442	1.7
178.06131	3.6
179.05690	3.3
183.11353	2.0
193.07320	1.7
197.06563	2.1
200.13972	2.4
203.08186	2.2
204.08492	2.5
204.11404	2.0
210.12332	2.9
221.06648	2.1
223.08237	2.4
224.06650	2.1
232.10905	1.9
236.13969	1.8
238.09314	4.1
238.11868	6.0
239.07635	3.1
241.09450	2.9
245.09285	2.8
245.18590	4.9
246.09540	2.9
246.12219	2.3
247.11871	2.0
249.06241	2.6
249.13496	4.6
251.75313	1.7
255.14447	4.5
263.09940	2.5
263.15112	2.2
266.08792	11.5
266.11371	7.9
267.07281	2.5
281.10443	2.9
283.13959	3.9
284.09943	8.0
288.10666	2.1
291.14456	7.0
292.13013	2.3
306.11713	3.1
309.15643	4.5
312.54187	1.9
317.12445	1.6
319.14017	7.0
322.66830	1.5
334.15002	5.5
336.16675	4.9
351.17056	9.0
352.16211	3.0
362.14334	3.6
365.13239	2.6
366.13660	8.7
369.18594	3.2
379.17215	17.5
400.38919	1.6
492.17148	1.8
510.17752	2.5
528.19720	2.4
528.27161	2.6
529.16675	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	528.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16254	0.4
55.05505	1.2
61.02922	0.8
69.03432	1.0
69.07042	0.7
70.06589	2.8
71.57056	0.6
72.08142	1.0
73.02911	1.1
81.03396	0.4
81.07042	0.6
85.02902	1.5
86.09684	0.8
91.05474	1.6
92.05006	3.4
93.05753	0.6
94.06548	1.0
97.02910	0.7
105.06969	0.5
106.06568	1.5
110.07121	0.5
117.05759	1.0
118.06538	12.8
119.07366	0.5
119.08578	0.6
120.08089	1.5
120.42086	0.4
130.06508	1.2
134.09700	0.5
138.94803	0.5
142.40704	0.5
144.08092	0.5
162.09134	12.0
163.09938	3.0
176.10643	0.7
202.15913	3.0
221.02516	1.0
230.15388	22.1
233.43327	0.6
237.05806	0.6
248.16527	1.4
262.00681	0.6
274.18024	0.8
280.19797	0.6
292.19055	37.6
293.19489	0.6
299.09351	2.7
304.19083	1.1
322.20035	0.7
347.30411	0.5
366.22791	7.2
443.13602	0.6
485.14636	0.5
528.28027	100.0
529.28345	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	528.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89108	1.5
55.05514	1.6
58.62913	2.0
66.02280	1.5
67.49219	1.6
69.07066	11.1
70.02928	3.1
70.06579	7.1
71.57539	2.9
72.08134	5.5
81.03402	2.6
81.04536	1.9
82.02922	3.9
86.09705	100.0
87.05575	6.8
93.07063	1.7
97.02862	1.7
97.03988	5.4
97.06548	2.0
98.02409	2.9
99.05576	2.1
108.04460	2.1
109.02855	1.9
109.03983	2.4
110.09650	2.2
120.08109	1.6
121.06479	1.5
121.10268	1.8
124.03905	1.6
124.05056	6.2
125.03468	5.7
126.06599	3.0
127.03880	2.0
135.01903	3.1
142.06116	5.2
147.08064	2.0
152.04565	11.9
155.11780	2.3
158.05730	1.6
166.08554	3.9
170.05602	4.4
170.95808	1.8
177.56442	1.7
178.06131	3.6
179.05690	3.3
183.11353	2.0
193.07320	1.7
197.06563	2.1
200.13972	2.4
203.08186	2.2
204.08492	2.5
204.11404	2.0
210.12332	2.9
221.06648	2.1
223.08237	2.4
224.06650	2.1
232.10905	1.9
236.13969	1.8
238.09314	4.1
238.11868	6.0
239.07635	3.1
241.09450	2.9
245.09285	2.8
245.18590	4.9
246.09540	2.9
246.12219	2.3
247.11871	2.0
249.06241	2.6
249.13496	4.6
251.75313	1.7
255.14447	4.5
263.09940	2.5
263.15112	2.2
266.08792	11.5
266.11371	7.9
267.07281	2.5
281.10443	2.9
283.13959	3.9
284.09943	8.0
288.10666	2.1
291.14456	7.0
292.13013	2.3
306.11713	3.1
309.15643	4.5
312.54187	1.9
317.12445	1.6
319.14017	7.0
322.66830	1.5
334.15002	5.5
336.16675	4.9
351.17056	9.0
352.16211	3.0
362.14334	3.6
365.13239	2.6
366.13660	8.7
369.18594	3.2
379.17215	17.5
400.38919	1.6
492.17148	1.8
510.17752	2.5
528.19720	2.4
528.27161	2.6
529.16675	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01865	3.7
55.05510	17.6
57.03433	4.2
57.28548	1.0
65.03937	3.6
67.05502	36.2
68.08589	1.1
69.07069	14.6
71.04987	2.2
71.08628	1.1
79.05495	26.2
81.03422	7.0
81.07055	28.4
83.04958	3.1
83.08611	8.7
85.02926	1.5
85.06558	2.0
91.05477	22.6
93.07042	21.7
95.04961	6.8
95.08602	22.4
96.93312	1.0
97.06518	3.1
97.10174	6.8
97.10691	1.1
98.20726	3.0
105.06376	2.4
105.07026	22.2
107.04959	2.0
107.08592	12.2
109.06506	2.6
109.10154	11.2
111.08093	1.3
114.20969	1.3
115.05450	3.2
117.07005	15.1
119.08583	17.0
121.10168	6.9
123.08083	2.1
123.11739	1.7
125.09621	4.6
128.06235	3.9
129.06995	15.9
130.07791	1.3
131.08568	22.0
133.06464	1.4
133.10129	11.5
135.11713	3.4
141.06990	5.2
142.07819	5.0
143.08549	16.8
145.10117	17.9
147.08086	2.3
147.11676	5.7
149.09538	1.4
149.13260	2.7
151.11221	1.6
155.08557	11.7
156.09366	2.1
157.10106	19.2
157.11279	1.2
159.11703	14.4
161.13301	3.1
162.67081	1.2
163.11160	1.1
165.06989	1.2
167.08595	3.7
169.10139	11.9
171.11711	13.6
173.11853	1.5
173.13226	6.8
175.14931	1.7
181.10147	4.3
182.11037	1.4
183.11720	10.3
185.13263	10.0
187.14767	3.2
189.11324	1.7
193.10199	2.2
193.12259	3.7
195.11699	5.4
197.13252	8.5
199.14815	5.3
207.11714	2.4
209.13272	4.1
211.14842	4.9
213.16458	3.4
223.14845	2.5
225.16470	2.4
235.14732	2.7
237.16328	1.5
283.20709	3.0
295.20483	1.9
297.22092	1.6
301.25369	2.1
309.22305	2.7
313.22055	1.6
323.23779	2.3
325.21698	1.3
329.24866	1.4
337.25250	1.7
341.24771	1.6
349.25235	1.5
417.31403	7.1
435.32629	22.2
453.33636	11.6
471.34784	5.5
473.34235	1.7
491.35532	1.9
509.36475	9.4
527.37311	100.0
528.37274	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01859	1.9
55.05513	13.5
57.03421	4.3
57.07087	1.8
65.03938	1.4
67.05505	25.6
69.07071	11.3
69.65332	6.0
71.04976	2.1
78.40870	0.9
79.05492	18.7
81.03398	3.0
81.07055	24.8
83.04942	1.5
83.08619	7.2
85.06528	2.1
91.05476	17.3
93.07040	19.9
95.04960	4.2
95.08601	16.7
97.06520	2.6
97.10152	3.3
98.20799	1.3
99.08067	1.3
103.49185	1.0
105.06403	0.7
105.07026	20.8
106.07378	0.9
107.08598	13.1
109.10126	7.8
111.08081	2.6
115.05421	1.9
117.07021	11.7
119.08579	14.3
121.10147	7.1
123.08096	1.1
123.11696	1.3
125.09555	2.1
128.06245	4.5
129.07007	13.9
130.07747	1.3
131.08566	21.2
133.10147	12.2
135.11679	4.3
141.06989	5.2
142.07776	3.3
143.08546	18.8
144.09416	1.2
145.10127	17.6
147.11684	6.1
149.13243	2.6
153.06973	1.3
154.07768	1.8
155.08533	13.2
156.09332	1.7
157.10118	17.7
159.11693	13.4
161.13304	1.5
163.11165	1.3
163.14946	1.2
167.08568	3.9
169.08745	1.7
169.10132	14.2
171.11702	13.8
173.13287	7.0
175.14760	1.3
179.08539	1.6
181.10110	6.0
183.11693	11.6
185.13278	10.1
187.14774	4.0
191.14279	1.1
193.10190	2.6
193.12227	1.0
195.11705	6.4
195.13414	1.1
197.13246	10.1
199.14803	6.2
201.16371	2.2
207.11632	1.3
209.13239	5.6
211.14836	7.3
213.16394	3.8
221.13173	1.5
223.14708	4.6
225.16377	1.6
227.18161	1.1
235.14879	2.2
237.16397	2.0
239.17761	1.3
249.16551	1.1
259.20773	1.0
263.18057	2.1
277.19525	1.0
281.19016	1.1
283.20602	1.7
297.21985	1.3
301.21713	1.2
309.21948	1.5
311.23688	1.3
315.23007	1.2
323.23788	3.5
327.23114	2.4
335.23792	0.9
339.23010	1.5
353.24884	1.4
355.26361	1.1
363.25986	1.0
365.24661	1.7
379.26102	1.1
407.33273	1.4
417.31497	8.1
435.32559	21.9
453.33847	9.1
471.34528	4.0
473.34109	2.1
491.35114	2.8
509.36365	11.0
527.37292	100.0
528.37616	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01858	2.4
55.05512	15.3
57.03425	3.6
57.07062	3.5
65.03938	1.8
65.13443	1.0
67.05500	28.7
69.03426	1.4
69.07066	14.2
71.04968	2.0
71.08624	2.8
79.05486	21.0
81.03416	2.4
81.07049	27.2
83.04981	2.0
83.08617	7.0
85.06525	2.2
91.05473	27.0
91.06363	1.0
93.07034	21.8
95.04971	4.4
95.08600	20.0
97.06515	1.6
97.10172	4.2
98.20706	2.5
103.05502	1.6
104.06174	1.3
105.07026	23.8
107.08588	11.7
109.06518	1.4
109.10143	12.4
109.70670	1.0
111.08092	1.6
115.05486	2.8
117.07008	12.3
119.08575	15.0
121.10118	7.6
123.11751	2.4
125.09670	1.6
128.06227	4.8
129.07001	14.6
130.07788	1.6
131.08556	22.0
133.10124	14.3
135.11691	4.8
141.06970	7.0
142.07790	3.2
143.08553	21.4
145.10115	22.6
147.08026	1.2
147.11682	6.3
149.09560	1.1
149.13272	2.7
151.11194	2.0
153.07028	1.6
153.12746	1.0
154.07787	2.4
155.08536	12.5
155.09702	1.2
156.09312	1.8
157.10115	19.8
159.11685	14.8
159.12860	1.3
161.09607	2.6
161.13249	3.1
163.11067	1.4
163.14960	1.0
165.06941	1.0
167.08585	4.3
169.10123	14.2
170.10846	1.6
171.11665	18.2
173.13225	8.7
175.11015	1.1
175.14847	1.6
179.08516	2.6
179.10687	1.1
180.09480	1.2
181.10129	6.0
183.11673	15.3
185.13239	10.8
187.14836	4.1
189.12746	1.4
193.10159	2.1
195.11652	5.1
197.13205	7.8
198.97475	1.4
199.14818	6.3
207.11711	2.1
209.13284	5.6
210.70258	1.2
211.14714	5.6
213.16377	2.4
221.13264	2.6
223.14810	4.0
225.16374	3.2
235.14864	3.1
237.16414	2.8
241.19957	1.6
259.20609	2.5
263.17886	1.4
265.19550	1.6
269.19104	1.3
271.20486	1.3
273.18478	1.3
295.20462	1.4
297.18777	1.1
297.21997	2.2
309.22067	1.6
311.23663	1.8
315.23242	1.8
323.23749	2.1
335.23621	1.4
337.25497	1.4
339.23196	1.4
341.24600	1.6
349.25027	1.1
417.31461	6.8
435.18738	2.2
435.32559	21.1
453.33658	10.7
471.34552	4.1
473.34091	2.0
491.35291	1.6
509.36465	9.9
527.37292	100.0
528.37469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
53.19784	1.2
55.01863	3.3
55.05507	18.3
57.03428	4.3
57.07063	2.2
58.15914	1.2
61.51842	1.1
65.03919	2.5
67.05500	35.0
69.07066	13.3
70.64971	4.1
71.04976	1.5
79.05492	25.4
81.03420	15.6
81.07054	31.7
83.04962	2.3
83.08615	8.9
85.06541	2.2
91.05472	27.2
93.07037	25.4
95.04962	9.1
95.08601	22.2
97.06517	4.1
97.10172	7.1
98.20882	1.2
105.07028	24.3
107.08585	16.4
109.06515	1.9
109.10143	10.6
111.08085	2.1
115.05454	2.2
116.06221	1.5
117.07015	11.7
119.08580	17.5
121.06489	1.5
121.10117	11.4
123.08063	1.5
123.11684	1.5
125.09631	2.7
128.06210	2.7
129.06990	9.1
130.07776	1.5
131.08565	22.4
133.10146	11.7
135.11687	4.8
141.07022	3.2
142.07793	3.3
143.08556	12.1
145.02859	5.9
145.10121	17.1
145.14139	1.3
147.11688	4.4
149.13266	2.8
149.84282	1.4
155.08578	6.3
157.10107	16.2
159.11700	16.1
161.13249	3.6
167.08572	2.9
168.09367	2.3
169.10075	9.1
171.11665	10.8
173.13235	8.1
175.11255	1.6
175.14885	1.7
177.05453	13.4
181.10129	3.1
183.11676	8.4
185.13252	7.8
189.11247	2.1
193.12253	6.2
195.11708	3.5
197.13225	7.6
198.97461	4.4
199.14838	4.1
207.11760	1.9
209.13264	2.8
211.14871	4.2
213.16422	1.8
221.13263	2.4
223.14903	3.0
225.16464	1.8
251.17888	1.9
259.20499	2.6
261.22150	2.7
297.22372	1.6
301.25293	2.4
315.23303	1.7
323.23471	1.5
353.24908	1.7
375.01785	1.3
397.23819	1.3
417.31384	4.3
435.32574	14.3
453.33667	10.3
471.34659	5.4
491.35214	1.9
509.35986	6.4
527.37311	100.0
528.37701	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79646	1.4
51.93515	1.5
53.03931	6.0
55.01862	4.6
55.05271	2.1
55.05513	26.7
56.46954	1.4
56.96565	1.7
57.03438	11.1
61.02640	2.5
61.02925	26.8
65.03938	1.7
67.05502	41.8
69.03436	12.7
69.07059	13.9
69.46235	6.4
69.46669	7.2
71.04990	3.7
73.02925	9.3
77.03934	2.3
79.05488	42.0
81.03405	6.4
81.06586	3.0
81.07053	48.6
81.35855	1.5
83.04978	9.2
83.08616	11.5
85.02901	22.9
91.03942	13.4
91.05476	65.4
93.07040	39.8
95.04935	12.2
95.08049	2.5
95.08602	28.0
96.96920	1.6
97.02892	12.6
97.06524	6.8
97.10147	5.0
98.20716	3.0
99.08103	2.3
101.02424	2.1
103.03907	1.7
103.05438	3.3
105.07021	54.4
107.04948	6.1
107.08585	20.6
109.02863	3.3
109.06532	14.0
109.10156	9.0
111.04441	2.5
111.08074	3.7
115.05443	8.4
116.06223	3.1
117.07008	29.8
119.08578	35.6
121.06490	9.9
121.10138	12.2
123.08038	10.8
123.11724	1.8
125.09628	5.4
127.03923	4.9
128.06198	18.4
129.06995	26.0
130.07774	8.4
130.08615	1.9
130.70518	1.6
131.08556	65.1
133.06477	11.3
133.10126	22.7
135.08006	7.7
135.11707	6.2
137.05951	2.6
137.09605	3.7
139.11224	3.0
141.06961	12.1
142.07747	5.6
143.08551	76.1
144.09254	2.4
145.06500	3.4
145.10114	64.6
147.08051	15.2
147.11655	10.6
149.09608	9.0
149.13222	4.5
151.07515	2.4
154.07726	2.0
155.08562	11.1
156.09267	2.1
157.10130	24.1
159.08015	5.7
159.11673	26.1
161.09631	17.1
161.13264	3.6
163.11166	6.9
167.08549	4.1
169.10132	16.1
169.14548	1.7
171.07996	3.2
171.11671	15.4
173.09608	5.6
173.13255	4.8
175.11156	10.8
177.12784	9.1
181.10135	12.0
183.11673	12.4
185.13213	7.4
187.11272	2.5
195.11647	18.2
199.11159	3.3
199.14822	3.1
201.12701	2.3
207.11789	2.1
209.11636	3.5
209.13341	2.9
213.12692	3.6
222.13857	1.8
227.17972	8.5
237.16364	21.2
245.18965	5.9
253.01750	1.8
255.17424	24.2
273.18463	63.9
280.07928	1.8
291.19287	1.7
301.35748	1.8
347.22147	100.0
348.22513	2.0
365.23172	5.7
429.02826	2.5
509.27634	2.7
527.24323	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85280	2.3
52.61656	2.7
53.03935	9.1
55.01862	7.1
55.05508	22.6
57.03443	14.4
57.03668	2.2
61.02931	41.6
67.05503	34.9
67.36605	2.4
69.03429	23.7
69.07048	15.2
70.06461	5.6
70.06855	6.5
71.04977	7.1
73.02912	10.9
73.47695	2.8
79.05489	40.2
81.03416	11.7
81.07049	58.1
83.01389	2.6
83.04967	8.8
83.08599	13.3
85.02901	49.2
85.06531	3.3
87.00812	8.8
87.04438	3.1
91.03960	17.8
91.05475	57.4
93.07037	39.8
95.04958	13.5
95.08605	24.0
97.02882	35.9
97.06535	6.3
97.10162	3.6
99.04434	7.0
99.08112	2.6
101.02384	2.6
103.05484	2.8
104.11174	2.6
105.01868	7.3
105.07022	49.4
107.04960	9.5
107.08593	19.4
109.02874	8.6
109.06508	9.7
109.10149	14.6
111.04453	6.6
111.08070	7.1
115.03910	3.6
115.05440	8.7
117.07014	40.9
119.04939	5.3
119.08575	37.8
121.06496	4.9
121.10119	13.6
123.04457	2.5
123.08049	3.2
123.11709	3.4
127.03912	18.4
128.06210	9.7
129.06990	26.2
131.08559	46.1
133.06502	10.1
133.10126	23.2
135.08023	8.6
135.11681	7.6
137.09615	4.2
141.06966	5.4
142.07796	7.2
143.08551	21.9
145.04961	6.0
145.06462	5.5
145.10107	70.5
147.08040	8.3
147.11649	13.6
149.09599	9.7
149.13260	4.3
153.01776	2.7
155.08546	9.9
156.09355	2.6
157.10115	34.4
159.08020	3.6
159.11687	23.2
161.09633	12.0
161.13277	7.9
163.11205	16.0
165.09090	3.8
165.12788	3.4
166.07806	2.9
167.08522	3.1
169.10139	8.3
171.11653	27.0
173.09679	9.1
173.13295	7.8
175.11154	17.6
177.12672	4.1
180.09377	3.3
183.11763	6.0
185.13271	8.6
187.11125	3.5
189.12802	6.6
191.10580	5.1
195.11705	5.0
197.13275	6.8
199.11136	4.5
209.13266	5.8
213.12811	3.2
213.16548	4.0
215.14310	5.8
217.12354	3.4
227.10797	2.7
227.12753	3.6
227.17877	14.3
231.05038	4.1
237.16306	12.4
245.11472	2.9
245.19032	15.0
255.17426	23.2
273.18481	100.0
283.15381	4.6
291.19333	5.1
307.19031	7.2
347.22150	82.1
353.07657	2.9
365.23260	29.4
367.05945	6.7
368.06808	11.1
381.03564	3.5
382.08664	4.6
393.07635	7.7
395.05353	18.1
396.06226	28.6
397.06863	6.5
409.06924	11.8
410.07645	7.8
411.08453	10.8
420.06180	3.2
421.07059	11.2
422.07864	5.2
423.04211	5.1
423.09116	5.2
425.10281	3.6
435.08459	7.4
437.10181	8.4
438.07004	3.2
439.08093	63.8
440.08444	5.9
452.08734	8.0
453.09604	21.8
465.09653	13.1
467.10953	5.7
481.12692	8.7
483.10724	86.8
484.11023	8.5
497.12296	4.9
509.12527	5.8
509.27292	3.3
527.13318	79.4
527.29968	4.0
528.13605	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	527.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.6
53.03941	8.4
55.01624	2.9
55.01870	34.1
55.05510	22.4
57.03416	6.5
57.07060	3.3
57.74537	1.5
59.04998	2.5
61.02920	1.8
65.03928	6.0
67.05499	89.4
67.29237	1.6
69.03416	7.8
69.07065	16.6
71.04980	10.9
71.57896	3.0
73.02909	4.8
77.03918	2.4
79.05487	84.0
81.03415	17.6
81.07050	64.5
83.04976	77.0
83.08607	12.5
85.02903	16.5
85.06553	8.5
87.00863	2.6
91.05470	54.1
93.03378	2.6
93.07037	92.9
95.04959	35.3
95.08601	34.9
97.02872	5.6
97.06526	30.6
97.10171	3.6
99.04445	18.7
99.08102	3.3
101.02358	2.5
103.05426	2.3
105.01817	2.1
105.07021	24.2
107.04942	50.2
107.05624	3.6
107.08581	49.0
109.02877	4.9
109.06509	9.5
109.10142	22.4
111.04433	100.0
111.08069	22.7
112.04768	1.9
113.05977	2.8
115.05442	3.4
117.07017	23.5
119.07790	2.7
119.08568	33.0
121.06500	10.5
121.10133	56.9
123.04425	2.7
123.08066	3.5
125.05994	8.4
127.03918	9.0
129.05467	5.0
129.06975	10.7
130.07756	6.1
131.04919	5.4
131.08578	21.0
133.10112	5.2
135.08044	7.1
135.11685	58.2
137.05966	5.2
137.09596	2.5
139.07507	3.4
143.08519	4.0
145.06499	12.3
145.10110	62.2
147.08038	5.6
147.11687	8.1
149.09601	15.4
153.12730	48.3
155.08569	12.4
155.96770	1.7
157.70891	2.1
163.11169	93.4
169.42532	1.7
173.09616	40.1
181.12209	75.0
191.08907	3.4
191.10655	57.9
209.11697	25.7
215.49872	2.0
224.31964	1.6
227.12758	65.0
265.14319	60.9
273.18170	2.1
283.15369	48.7
284.15637	3.1
301.16449	4.9
357.51163	1.9
427.24393	2.0
445.25378	2.3
473.25150	8.2
491.26273	13.2
509.27353	5.6
527.28552	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	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27498	1.2
51.02370	1.7
53.03934	6.2
55.01871	9.0
55.05508	27.3
57.03438	13.4
61.02922	15.6
65.03929	2.1
67.05502	32.1
69.03082	1.8
69.03430	23.2
69.07065	24.2
71.01331	2.7
71.04971	4.7
71.27188	1.5
71.58111	2.2
73.02920	9.3
79.05493	27.8
81.03410	28.1
81.07052	34.5
83.04562	1.4
83.04980	10.1
83.08620	13.0
85.02900	25.8
87.04456	1.9
91.03943	7.0
91.05484	19.7
91.08517	1.3
93.07046	16.8
95.04962	14.2
95.08600	13.4
97.02884	27.0
97.06515	5.7
97.10166	19.3
99.04444	5.9
101.02365	4.8
103.03938	3.6
105.07026	15.9
107.04971	9.8
107.08590	15.1
109.02873	8.8
109.06508	5.1
109.10136	11.0
111.04424	4.7
111.08075	3.8
117.07008	9.0
119.04969	1.6
119.08571	17.0
121.06525	3.3
121.10140	9.6
123.04410	3.3
123.08067	8.3
123.11750	1.9
125.09625	17.9
127.03904	12.6
129.05484	3.2
129.07005	4.5
131.08562	8.9
133.06476	3.7
133.10124	8.8
135.08044	5.5
135.11688	5.4
137.05959	2.3
137.09596	2.7
141.07010	2.0
143.08540	2.3
145.04922	2.6
145.10149	8.9
147.04341	1.4
147.08031	8.3
147.11685	5.4
149.05995	1.8
149.09613	2.6
149.13231	1.8
153.09128	2.4
153.12698	2.1
155.08484	1.6
157.10114	3.9
159.06544	1.5
159.08076	1.6
159.11703	4.0
161.09584	3.4
163.11197	4.4
165.09099	3.1
171.10178	1.9
171.11682	3.2
175.11182	4.4
177.12784	1.5
181.12236	1.8
185.09601	2.2
185.13284	1.8
189.11203	11.8
189.12708	2.1
193.12227	7.1
205.12186	3.4
211.11482	1.5
211.13309	8.0
222.48695	1.5
223.13258	20.2
227.12732	7.2
227.17787	2.0
235.13228	2.1
245.13844	2.0
245.19138	2.3
249.14838	3.1
255.17368	2.3
267.15930	2.2
273.15240	2.2
273.18442	20.0
291.19525	100.0
292.20038	2.0
347.22025	4.4
365.23181	24.7
368.01047	1.3
409.56827	1.3
509.26981	2.7
527.28314	16.0
532.52838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36472	2.4
53.03935	11.1
55.01869	37.4
55.05501	27.9
57.03430	14.3
57.07066	2.2
59.04998	3.7
61.02922	4.4
65.03933	6.9
67.05500	92.8
68.99786	4.4
69.03422	17.7
69.07054	23.7
69.92177	2.3
70.06573	3.0
71.01348	2.9
71.04977	17.0
71.15340	6.9
73.02917	5.6
79.05483	97.1
81.03413	23.0
81.06582	4.4
81.07052	78.5
83.04976	81.8
83.05463	5.6
83.08619	14.3
85.02895	16.6
85.06532	15.2
87.00811	3.1
91.03931	4.9
91.05473	60.2
93.07034	95.8
95.04959	35.3
95.08592	39.9
97.02878	11.5
97.06514	39.8
99.04446	15.9
99.08086	11.2
101.02379	4.4
103.05447	3.7
105.07012	37.6
107.04947	57.0
107.08592	49.5
109.02874	7.6
109.06485	16.5
109.10146	25.6
111.04436	100.0
111.05208	5.0
111.08076	20.6
117.07014	30.4
119.08558	38.0
121.06516	14.3
121.10126	60.6
122.10456	2.9
123.04427	6.5
123.08044	8.5
125.05978	11.2
127.03908	9.1
129.05492	4.7
129.07008	13.8
130.07808	3.3
131.04941	11.9
131.08559	26.5
132.05731	5.7
133.06459	6.1
133.10126	10.5
135.08060	13.0
135.11679	54.8
137.05975	5.7
137.09612	3.5
141.06969	3.3
143.08539	10.2
145.06479	9.8
145.10112	62.9
147.08051	8.9
147.11691	10.6
149.05861	3.8
149.09602	16.0
153.01819	45.6
153.12729	49.8
154.02158	3.0
155.08580	13.8
157.10121	5.5
159.08025	3.7
159.11707	4.4
161.06001	5.8
161.09564	7.2
163.03873	4.0
163.11157	99.0
165.05548	2.6
167.07018	7.3
171.02841	7.3
171.11607	4.4
173.09596	40.5
177.05431	5.2
179.03365	15.5
181.12221	60.8
185.13228	3.8
191.07031	5.4
191.10651	49.5
192.07816	14.3
193.08432	3.7
203.05530	2.5
209.08199	3.0
209.11665	21.6
209.38864	2.8
210.08833	3.6
227.12772	61.5
255.17436	3.6
256.18381	2.8
259.20505	5.4
260.20898	3.2
261.21280	3.5
265.14337	60.2
273.18375	16.4
283.15381	42.1
288.05789	4.6
291.19507	4.4
301.16293	4.2
317.06415	5.4
347.21927	6.0
347.25797	3.8
365.23297	9.8
366.57211	3.5
389.22989	2.8
396.06281	3.2
399.21521	3.0
439.08020	3.9
445.25699	3.5
465.09988	3.1
472.41074	3.0
473.25238	11.2
483.10880	4.2
491.26447	10.5
509.27374	4.6
527.15045	18.7
527.27765	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	527.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
57.41940	0.6
58.69705	0.6
59.73021	0.7
67.05490	1.2
69.03439	0.6
69.07041	0.7
69.52457	4.3
74.88091	0.5
79.05489	1.1
81.07047	1.7
85.02929	0.7
89.57507	0.6
93.07065	1.1
105.07031	1.0
119.08617	0.6
125.86266	0.6
131.51799	0.5
140.37752	0.5
152.86008	0.6
185.04141	0.8
211.11748	0.6
246.87494	0.6
251.14923	1.2
259.56912	0.6
261.18268	1.1
279.19351	5.0
307.18665	0.7
321.19418	1.0
359.63507	0.6
365.23291	1.1
423.23438	2.0
441.24496	8.2
465.24533	7.7
483.25659	23.2
484.25983	0.8
509.23611	31.8
510.24063	1.1
527.24615	100.0
528.25085	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41208	16.2
55.05488	17.9
63.41795	16.8
67.05504	26.4
69.07059	25.8
69.30515	14.6
70.06624	21.6
70.20699	66.1
81.07051	66.1
83.08596	23.8
85.02921	33.3
91.05470	16.7
93.07016	34.5
95.08601	61.1
98.20761	18.7
107.08562	40.3
109.10172	64.3
121.10148	34.5
123.11676	45.7
135.11700	21.2
147.88615	15.7
149.13293	45.1
163.14804	23.8
202.16107	16.1
204.68408	17.3
205.19502	17.6
228.49651	16.0
246.37524	17.6
291.27008	19.0
473.79852	16.4
481.16702	75.1
525.15497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	24.7
57.07072	10.3
65.03925	13.0
67.05482	22.4
69.03419	15.0
69.07062	21.1
69.53365	87.5
70.06569	16.5
72.65007	9.7
79.05479	29.6
81.03435	11.3
81.07064	100.0
83.08620	15.1
85.02892	24.1
91.05482	18.5
93.07026	16.7
95.08604	84.4
98.20061	9.8
105.07003	28.0
107.08579	37.5
109.10126	64.1
119.08548	21.1
121.10149	21.9
123.11673	28.6
127.11116	10.4
133.10143	16.6
135.11649	14.7
137.06020	14.6
145.10072	16.0
147.11575	12.5
149.13268	27.0
158.36040	10.4
163.14786	15.4
195.38989	12.7
273.25766	15.5
289.05328	26.5
291.26776	40.9
309.27777	37.3
349.23541	14.6
355.40994	11.7
434.44315	12.0
507.21228	14.1
525.22467	31.1
527.05249	11.9
540.44788	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80511	1.8
53.03929	7.6
55.01857	6.9
55.05504	4.7
57.03429	11.6
59.04979	3.3
61.02913	7.1
67.05486	5.5
67.54322	1.8
68.72871	1.7
68.99792	3.7
69.03428	71.8
69.07079	11.8
69.44370	4.7
69.44765	16.4
71.01329	3.6
71.04985	4.7
73.02902	6.7
75.04458	2.0
79.05470	2.9
81.03414	30.1
81.07056	6.1
83.04967	8.4
85.02901	100.0
87.00821	36.2
87.04464	12.8
91.03989	1.9
91.05486	5.0
93.07037	4.3
95.04953	2.0
95.08619	3.7
97.02887	89.4
97.06500	2.2
99.04452	18.7
99.08095	2.2
100.77355	1.9
105.01190	4.4
105.01862	69.4
105.07028	5.6
107.04913	2.0
107.08581	3.3
109.02872	27.7
111.04439	6.6
111.11669	2.0
115.03191	2.2
115.03928	28.5
119.08555	2.6
121.06462	2.5
125.02357	4.7
127.03912	71.0
129.01834	2.1
129.05450	2.7
129.06963	2.0
133.04941	13.3
133.10118	2.7
137.02318	2.4
137.05980	2.3
139.03886	5.8
145.04950	43.7
145.10083	2.4
150.07642	11.7
151.03886	3.3
153.01898	2.1
153.05385	2.0
157.10004	2.1
159.02898	10.8
167.07137	2.6
169.04945	2.7
171.02771	2.2
177.05492	4.8
181.04892	2.6
189.03975	5.5
205.04956	3.2
213.03925	6.2
215.05417	2.9
223.06007	7.0
231.04964	22.8
241.07088	6.9
249.06024	11.9
251.34152	2.3
306.93402	2.1
313.42236	2.2
327.07126	9.5
345.08130	14.2
363.09048	4.1
369.29449	2.1
510.04068	2.2
526.24127	3.9
526.30804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01866	4.4
55.05505	10.5
56.96566	1.4
57.03418	5.3
57.07071	8.2
61.02915	3.2
67.05501	21.4
68.51797	1.3
68.99788	2.0
69.03427	41.7
69.07059	9.3
69.20288	1.2
70.34733	7.0
71.04985	4.8
72.91518	1.5
73.02909	6.0
79.05489	12.6
81.03414	27.8
81.07049	24.3
82.04580	1.5
83.04989	7.4
83.08611	5.4
84.97140	1.4
85.02423	2.4
85.02902	30.9
85.06540	68.1
87.00826	14.0
91.03922	1.8
91.05467	13.1
93.07029	14.4
95.04969	8.6
95.08608	28.5
97.02887	16.0
97.06522	4.7
97.10172	2.3
99.04447	8.7
99.08089	79.0
103.05495	1.6
105.01893	7.3
105.07031	25.8
107.04942	2.1
107.08587	15.7
109.02874	25.2
109.06525	13.0
109.10155	12.6
111.08079	3.6
113.09676	2.4
117.07016	5.4
119.08578	31.7
121.06532	2.4
121.09326	2.4
121.10142	34.3
123.08054	10.6
123.11681	7.8
125.05975	3.4
125.09615	22.5
125.58100	1.5
127.03919	33.2
128.06163	1.8
129.01881	2.3
129.06978	3.4
130.07837	1.6
131.08578	7.7
133.06425	1.5
133.10138	18.7
135.08141	2.5
135.11688	6.7
137.09579	7.1
137.13245	2.7
139.11163	6.7
141.01794	1.8
142.07777	2.1
143.08548	5.9
145.04950	7.1
145.10086	10.5
147.02881	1.9
147.08044	4.8
147.11684	40.9
149.09615	2.4
149.13318	2.5
151.07574	1.7
151.11182	5.8
153.01735	1.7
156.09361	2.3
157.10083	9.2
159.02907	12.1
159.07976	2.0
159.11674	11.6
161.09601	4.2
161.13245	7.7
163.11192	2.4
165.09103	3.2
165.12753	21.5
166.08778	1.5
167.06985	3.6
169.10013	1.5
170.10861	2.3
171.11685	10.1
173.13268	6.8
175.11192	5.5
175.14835	4.5
177.12759	2.5
177.16319	1.9
179.14302	17.7
185.13260	14.8
187.14777	2.1
189.12766	4.5
190.13560	1.6
195.95163	1.4
199.14864	10.2
201.16386	16.3
203.14281	8.7
215.17851	1.6
217.15790	3.1
231.04948	4.6
241.19508	10.3
259.20566	100.0
260.20853	2.8
261.22110	1.7
277.21582	10.0
287.05380	2.2
299.05139	1.6
315.05200	2.2
315.08600	1.9
326.04208	1.9
327.24738	1.6
340.94473	1.7
341.06522	3.3
481.24084	2.4
525.13763	7.9
525.27405	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01863	2.4
55.05505	13.5
57.03427	5.9
57.07067	3.5
59.04995	2.4
60.09550	1.6
61.02921	2.5
65.03934	2.5
67.05503	17.9
69.03426	45.2
69.07059	8.4
70.23936	7.1
71.04985	4.4
73.02901	4.9
75.06152	1.7
79.05502	9.4
81.03416	27.6
81.07053	26.5
83.04980	5.8
83.08611	2.6
84.51437	1.6
85.02905	33.2
85.06538	65.7
87.00835	19.7
91.03986	1.9
91.05472	9.3
93.07035	12.8
95.04960	6.6
95.08602	25.9
97.02889	16.2
97.06520	4.2
99.04429	8.3
99.08087	79.2
101.06018	1.8
105.01840	7.9
105.07024	27.5
107.08588	14.1
109.02872	21.9
109.06504	14.5
109.10146	12.5
111.08094	2.1
116.46818	1.9
117.01840	2.8
117.07001	3.9
119.08575	34.0
121.06489	1.7
121.10144	33.8
123.08051	7.3
123.11739	8.5
125.05972	2.9
125.09622	24.0
127.03916	29.2
129.01851	2.7
131.08554	8.8
133.10117	16.8
135.08116	4.3
135.11684	6.8
137.05957	1.9
137.09576	8.1
137.13246	1.8
139.11182	8.4
142.07787	2.2
143.08533	7.5
145.04936	7.4
145.10123	7.6
147.08069	3.4
147.11678	37.8
149.09627	4.6
151.11142	5.4
155.67236	1.6
156.09283	1.7
157.10078	9.4
159.02899	10.8
159.11638	12.0
161.09604	5.9
161.13251	6.9
163.11122	2.3
165.12750	21.1
170.10880	3.5
171.11723	12.1
172.12317	1.6
173.13306	6.8
175.11205	5.2
175.14775	6.5
177.12755	2.7
179.14293	17.2
183.11598	1.7
185.13225	12.6
189.12698	4.0
190.13565	2.6
199.14830	11.1
201.16402	15.9
203.14343	8.7
217.15863	2.4
231.05009	3.6
241.19553	9.1
259.20563	100.0
260.20987	3.2
273.39816	1.8
277.21582	15.2
287.05460	3.2
301.21494	2.0
302.19064	1.6
315.04846	2.0
459.38828	2.0
525.13568	4.7
525.27130	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	525.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.01858	4.9
55.05510	12.8
57.03426	6.2
57.07062	7.1
61.02903	3.7
62.10978	1.5
67.05175	1.9
67.05505	21.5
68.99808	1.6
69.03425	39.0
69.07061	6.8
70.71326	4.0
71.04987	4.3
73.02911	4.6
74.09545	1.6
79.05486	10.4
81.03412	27.0
81.07059	22.8
83.04974	5.2
83.08608	3.5
85.02900	38.7
85.06538	69.1
87.00827	17.2
91.03944	2.3
91.05468	11.9
93.07046	10.6
95.04959	6.2
95.08595	26.6
97.02882	16.6
97.10155	1.8
99.04443	11.4
99.08089	73.8
101.02412	2.2
103.05434	2.4
103.12003	1.6
105.01847	7.7
105.07033	28.3
107.08591	17.4
109.02871	23.4
109.06526	15.5
109.10146	12.8
111.08099	2.3
117.01846	2.9
117.07030	2.1
119.04932	2.0
119.08578	32.1
119.09365	2.8
121.06506	2.5
121.10132	33.8
123.04446	2.5
123.08026	9.8
123.11699	7.2
125.05998	4.7
125.09612	17.4
127.03911	33.5
129.01855	2.1
129.06976	2.9
131.04909	2.9
131.08542	6.0
132.05731	2.4
133.10106	18.5
135.08089	1.8
135.11687	5.4
137.09610	8.0
137.13210	1.7
139.11179	7.4
140.04691	2.3
142.07658	1.9
143.08568	5.7
144.09402	2.2
145.04990	8.0
145.10071	11.0
146.03697	1.9
147.08049	2.9
147.11670	35.8
149.06001	2.8
149.09601	2.6
151.11192	5.0
153.01799	9.7
156.09337	4.5
157.10161	8.3
159.02873	11.0
159.08081	2.5
159.11670	9.2
161.09642	4.3
161.13277	6.9
163.11182	2.4
163.14769	1.6
165.12735	21.5
167.07054	2.7
170.10936	2.8
171.11694	8.9
173.13200	4.1
175.11218	4.9
175.14827	6.4
177.05446	3.2
177.12653	2.7
178.06226	3.3
179.14308	15.1
184.12556	2.2
185.13263	15.6
187.14835	2.5
189.12733	6.8
190.13559	2.4
191.14343	1.6
192.07773	3.1
197.13280	1.7
199.14816	15.4
201.16383	15.1
203.14293	8.4
213.03838	2.4
213.16345	1.8
216.04166	28.0
217.04552	1.8
217.15968	3.3
218.16631	1.9
231.05045	5.9
241.19531	7.9
242.05696	2.3
244.03558	2.5
259.20551	100.0
270.05325	5.0
272.03326	3.7
274.04721	2.2
277.21609	17.4
287.05475	47.3
288.05737	2.4
299.05508	9.6
302.04327	6.6
315.04932	31.0
316.05640	4.4
317.06558	6.5
327.05225	3.1
329.06400	1.9
371.07928	3.7
430.67145	1.7
481.24380	2.6
501.89340	1.8
507.13071	9.0
507.20041	1.6
508.13287	1.8
525.13947	79.7
525.26556	23.3
526.13837	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	525.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.7
55.01870	3.9
55.05508	12.0
56.96555	2.5
57.03429	9.4
57.07061	7.6
61.02912	5.6
67.05499	25.5
68.99777	2.4
69.03426	47.5
69.07056	8.6
69.65115	15.3
71.04996	4.2
71.16650	2.7
73.02913	4.0
75.86762	2.0
75.88129	2.0
79.05496	9.3
81.03403	34.1
81.07053	28.4
83.01310	2.3
83.04967	8.2
85.02900	38.6
85.06538	67.1
87.00831	19.8
91.03963	2.0
91.05468	13.7
93.07029	17.4
95.04954	5.7
95.08595	27.0
96.08880	1.9
97.02878	18.7
97.06504	4.1
98.97578	3.2
99.04454	12.2
99.08083	91.2
103.05457	2.4
105.01865	13.1
105.07021	31.0
107.04992	3.1
107.08572	15.9
109.02867	22.8
109.06498	13.4
109.10165	15.1
111.08097	4.2
116.98615	4.0
117.01891	2.8
117.06996	4.6
119.01900	2.2
119.08565	37.1
121.06491	4.6
121.10136	36.8
123.04440	2.0
123.08066	9.9
123.11709	8.8
125.05963	3.3
125.09629	20.7
127.03896	33.6
129.01799	3.8
129.07034	2.8
131.08583	7.4
133.10133	18.7
135.08095	4.1
135.11665	5.1
137.05995	3.0
137.09593	8.9
139.11188	6.3
142.07851	1.9
143.08549	6.9
144.09303	2.8
145.04961	8.1
145.10110	12.1
147.08044	4.6
147.11679	36.8
149.13283	3.7
151.11183	5.7
156.09341	2.3
157.10114	10.1
159.02869	10.3
159.07996	2.3
159.11652	9.0
161.09630	5.5
161.13246	8.1
163.11154	2.3
165.09097	3.3
165.12726	22.7
169.10117	2.2
170.10933	3.9
171.11711	11.3
173.13255	6.5
175.11150	5.7
175.14848	4.9
177.05499	2.9
177.12688	3.4
178.01105	1.9
179.14288	16.7
185.13246	14.7
187.14774	2.4
189.12706	4.2
190.13518	3.7
191.14426	3.1
193.12138	2.2
199.14775	12.0
201.16322	15.5
203.14337	4.2
208.18240	2.0
213.04012	2.6
217.15903	4.1
231.05060	6.2
231.17340	2.2
241.19530	6.9
259.20563	100.0
260.20834	3.1
277.21616	9.8
345.23962	2.4
358.92432	2.0
481.23450	3.5
525.20135	4.4
525.27411	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	525.2324
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.84932	3.3
67.05492	5.7
70.06589	5.8
71.04979	4.4
81.03413	8.8
85.02881	8.6
86.09682	4.3
103.05466	4.8
105.07021	5.2
109.06537	3.8
122.03647	5.2
129.06993	4.7
131.04927	8.2
133.06490	12.6
137.05972	100.0
138.06445	15.5
139.07143	4.8
151.07518	6.1
153.05513	4.4
157.06453	3.8
159.08118	4.4
161.05942	3.4
163.07570	20.6
163.08755	3.9
175.07501	10.1
176.07977	4.7
183.01392	3.8
189.09094	9.1
190.09384	7.4
207.09671	4.1
219.10217	8.3
230.14906	4.3
288.54520	4.0
295.13202	4.3
327.15665	5.2
345.16895	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	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
67.05500	2.7
69.03422	1.7
69.07065	1.3
69.92648	2.1
69.93063	2.3
71.04973	1.0
74.41142	0.7
79.05458	0.8
81.03415	1.1
81.07046	3.5
83.08588	1.1
85.02888	2.9
85.06547	1.5
85.66413	0.9
87.33967	0.8
91.05460	1.8
93.07046	1.4
94.50275	0.7
95.04944	1.3
95.08573	1.8
97.02899	1.1
99.04484	1.2
99.08071	1.4
105.01867	0.8
105.07019	2.4
107.08587	1.9
109.02842	1.3
109.10120	1.7
117.07068	1.3
119.08564	2.4
127.03918	1.6
131.08548	0.9
133.10127	2.4
135.07990	0.8
145.10141	3.3
147.11679	1.0
154.69742	0.9
158.09662	0.8
159.11697	2.3
171.11740	0.8
173.13202	1.0
181.52385	0.8
201.03732	1.0
203.05139	1.2
219.11732	0.8
227.05345	0.9
243.04843	2.1
245.06306	3.3
259.16754	4.6
259.20544	2.6
261.18204	10.3
271.04169	1.0
277.17767	13.5
287.03546	13.7
289.05289	34.1
437.17816	1.4
439.22894	3.6
463.22485	1.1
481.24130	23.4
507.21851	2.9
525.23035	100.0
526.23444	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2308
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
51.98055	1.4
55.05496	4.5
55.54783	1.5
57.03431	2.5
67.05494	7.7
69.03435	4.6
69.07064	5.5
69.85156	1.4
71.04996	2.6
71.35845	1.4
71.57623	2.4
72.08128	2.8
72.21556	1.7
79.05499	4.6
81.03427	5.5
81.07060	6.8
83.04996	2.5
83.08626	2.4
84.08166	3.7
85.02891	8.2
85.06535	2.2
86.09732	2.8
87.00835	4.1
91.05473	7.8
93.07046	10.4
95.04968	3.4
95.08620	7.5
97.02894	4.4
97.06547	3.2
98.97556	1.5
101.16071	1.6
104.60397	1.6
104.62383	1.4
105.01906	1.9
105.07018	8.2
107.04961	3.4
107.08603	4.6
109.02885	3.6
109.06523	2.5
109.10143	7.7
111.08049	1.9
117.07065	1.6
119.08569	4.4
120.08120	4.3
121.10156	4.1
123.08042	1.9
123.11708	2.3
127.03930	4.2
131.08556	3.9
133.10121	7.7
137.06033	2.0
137.09586	2.1
143.08586	3.7
145.04901	1.5
145.10153	5.7
147.08005	2.0
147.11681	4.3
149.09682	2.9
157.10179	4.4
159.02994	1.5
159.08031	1.7
159.11720	6.4
161.13278	2.0
163.11252	2.0
169.10124	1.7
171.11676	3.4
173.09589	1.6
185.13310	2.2
201.16324	2.9
215.14499	2.0
245.06523	1.9
257.19055	2.0
259.16690	3.7
259.20648	5.4
277.15143	1.8
277.17804	5.9
277.21655	2.2
287.03815	2.3
289.05392	3.6
297.21866	2.0
349.23642	2.2
411.20651	2.0
421.21957	3.4
426.56372	1.6
437.17798	1.9
439.15607	1.9
439.22964	6.4
445.22122	1.8
457.20792	2.2
463.23218	5.4
481.24109	40.5
489.21072	8.0
507.21707	19.9
525.23083	100.0
525.30249	11.1
526.23663	2.9
526.30896	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.6
57.03434	11.7
57.07061	4.7
59.05003	4.3
67.05504	100.0
69.07056	8.6
69.23200	53.4
79.05485	26.1
81.07053	36.9
83.08595	9.1
91.05463	18.4
93.07037	28.3
95.08591	30.1
97.06514	5.0
105.07029	5.6
107.08602	7.7
109.10155	71.8
112.26120	5.1
119.08566	10.5
121.10123	15.6
123.11630	6.1
133.10101	6.5
137.09558	5.0
145.10098	5.2
147.11600	6.1
148.17598	4.2
149.13269	4.9
158.57498	4.2
173.11740	20.4
221.14157	4.4
229.14355	87.8
261.22141	15.4
335.25800	87.9
489.35739	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	525.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01855	1.5
55.05493	3.6
65.03919	0.9
67.05493	4.8
68.99776	1.7
69.03413	2.4
69.07060	1.9
71.03073	1.3
78.78038	0.8
79.05491	5.5
80.02581	0.7
81.03412	1.6
81.07051	6.7
83.04981	2.4
83.08621	2.0
85.02902	2.8
85.06534	0.8
91.05481	6.9
93.07038	6.2
95.04954	3.3
95.08598	4.2
97.02899	1.3
97.06514	1.0
99.04457	0.7
103.05487	3.4
105.07028	6.8
107.04928	4.2
107.08595	5.0
109.02864	1.8
109.06533	1.1
109.10162	4.3
111.04458	1.8
113.09602	1.2
116.98656	1.0
117.03330	0.9
117.07003	1.8
118.04175	1.6
118.87212	0.7
119.04960	1.0
119.08597	5.2
121.06501	3.0
121.10136	5.8
123.04430	2.0
123.08039	1.2
123.11688	1.6
127.03923	1.3
129.07054	0.9
131.04921	4.9
131.08571	2.3
132.05704	2.9
133.02994	0.9
133.06474	1.5
133.10121	10.0
135.08046	0.9
135.11703	2.4
137.05966	1.7
137.09593	4.9
139.00235	1.1
139.11174	0.9
140.04660	1.9
145.10124	2.1
146.03627	4.2
147.04420	1.4
147.08081	0.8
147.11684	1.8
148.05220	0.8
149.05994	2.0
149.09637	1.6
151.03886	1.0
151.11185	2.7
153.01810	8.8
153.05463	1.1
153.12691	0.8
157.10216	0.7
159.11658	1.1
160.05185	1.2
161.05959	1.6
161.09641	1.1
161.13300	0.7
162.03152	0.9
163.03877	1.6
163.11208	2.2
166.06264	1.2
167.07085	3.3
173.13155	0.8
175.11263	0.7
175.14815	3.1
176.04637	1.1
177.05472	4.0
178.06229	5.5
179.10628	0.7
180.07802	0.8
181.12193	1.9
185.13179	0.8
191.07040	3.3
191.10727	0.9
191.14297	1.1
192.07816	2.6
201.16412	1.3
203.14275	2.1
213.05481	1.9
216.04149	33.0
217.04526	1.1
229.04832	0.9
231.06471	1.2
241.05038	1.2
242.05789	2.7
244.03703	2.7
253.04985	2.8
257.04395	1.3
258.05258	2.7
259.05994	5.5
259.20529	4.8
265.14267	0.9
269.04379	1.5
270.05151	5.1
271.05960	1.6
272.03183	6.1
273.04031	1.1
274.04706	3.3
277.21664	12.1
285.04001	1.5
286.04581	1.9
287.05484	65.0
288.05676	1.6
299.05441	9.1
300.06165	1.4
301.03531	1.3
301.06989	1.4
302.04257	7.2
307.01028	0.9
309.03900	1.1
313.03632	0.9
313.07022	2.1
315.04962	44.8
316.05618	4.0
317.06592	7.0
327.05045	4.2
329.06601	1.7
341.06641	2.7
353.06268	1.1
357.06177	2.3
367.22916	0.7
371.07529	3.4
394.56851	0.9
475.10056	1.1
495.12817	2.9
507.12839	15.2
525.13910	100.0
526.14307	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.05517	20.8
57.03421	10.3
57.07074	56.9
67.05502	57.6
69.03442	8.9
69.07053	22.8
71.04977	4.9
71.08630	48.4
79.05486	27.8
81.03416	58.6
81.07053	58.2
83.04967	11.4
83.08604	48.3
85.02900	33.5
85.10194	22.0
85.10604	3.5
91.05476	35.2
93.07050	20.6
95.04967	22.3
95.08601	51.7
96.55784	3.9
97.02895	3.6
97.06543	6.3
97.10177	10.3
105.07040	25.2
107.08596	5.9
109.10159	25.7
111.08058	14.6
119.08597	19.9
121.10141	10.7
123.11716	5.5
129.06973	8.5
131.08530	10.5
133.10139	6.6
137.13280	4.8
147.11642	15.6
149.09622	5.1
157.10167	10.8
165.12747	4.4
175.11168	16.4
179.14299	7.6
193.12218	74.5
204.65454	4.4
211.13272	68.2
239.23688	4.4
267.15872	12.5
272.26526	3.8
313.27380	11.7
401.50003	4.7
523.39966	100.0
540.19348	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	524.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02610	0.3
55.05496	0.4
56.05020	1.1
57.03407	0.4
57.07071	2.8
58.06353	0.3
58.06561	1.5
59.07383	0.3
60.08162	16.1
66.39825	0.3
67.05495	1.2
68.32487	0.3
69.07055	0.6
71.07372	6.4
71.08626	1.5
71.49534	0.6
80.93336	0.3
81.07048	1.2
83.08626	0.6
83.54264	0.3
85.10166	1.0
86.09703	50.2
95.08611	0.8
97.10147	0.5
98.98460	3.8
103.24032	0.3
104.10740	100.0
105.11076	0.5
109.10165	0.5
124.99998	28.5
134.81073	0.3
143.01103	0.7
156.29890	0.3
163.01529	0.6
163.25845	0.3
184.07333	94.7
185.07658	0.7
193.50548	0.3
196.05754	0.3
258.11014	1.0
262.47385	0.3
283.88367	0.3
341.30481	1.2
391.85202	0.3
424.39810	0.3
450.84677	0.4
506.35968	8.3
507.35672	0.4
524.37128	23.2
525.36951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.9
55.01867	1.7
55.05508	19.5
57.03439	1.3
57.07074	42.6
65.03943	1.2
67.05502	39.6
69.07064	23.7
69.24390	12.4
71.04991	3.0
71.08629	32.1
79.05487	16.3
81.07053	100.0
83.04968	6.8
83.08617	19.2
85.06532	4.5
85.10172	17.9
91.05468	19.6
93.07037	12.8
95.04945	1.4
95.08601	43.8
97.06519	2.8
97.10164	8.7
99.08093	3.0
103.05436	1.2
105.07022	32.0
105.07684	2.3
107.08604	10.8
109.06493	2.8
109.10154	12.4
113.06017	1.5
113.13327	1.2
115.07586	1.1
119.08572	26.2
121.10143	18.0
123.08072	3.0
123.11704	33.7
127.07581	3.0
133.10103	2.2
137.13255	4.9
147.11681	57.7
157.10135	1.2
165.12743	37.5
175.11182	1.2
183.13832	5.0
193.12265	2.6
229.14310	5.7
239.23636	6.5
267.15894	38.6
523.39923	68.4
524.40149	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.0
57.03424	2.6
57.07076	47.2
66.04786	1.5
67.05502	41.7
69.07063	23.7
69.92535	8.1
71.04993	2.9
71.08630	32.2
79.05492	16.8
81.03416	2.5
81.07055	100.0
83.04970	5.4
83.08618	20.5
83.87727	1.7
85.06550	5.6
85.10175	19.0
91.05479	23.9
92.53899	1.3
93.07044	13.9
95.04993	3.8
95.08604	45.8
97.06507	3.9
97.10162	8.0
98.21477	3.1
99.08102	4.2
99.11765	1.4
103.05463	1.4
105.07030	29.5
107.08599	10.8
109.06517	2.8
109.10147	15.9
119.08581	25.5
121.10140	18.2
123.08057	3.3
123.11711	31.8
127.07531	2.5
129.06946	1.5
129.83115	1.4
131.08594	1.9
137.13246	4.5
145.10188	1.6
147.11685	61.7
152.24365	1.4
157.10252	2.2
165.12758	29.8
175.11281	1.6
183.13875	4.1
183.66492	1.3
193.12126	2.9
202.27592	1.4
221.73753	1.5
229.14432	5.7
239.23734	8.1
267.15903	28.9
292.86206	1.5
313.27664	1.5
523.24762	4.4
523.39960	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01870	6.2
55.05274	6.4
55.05512	89.7
57.03426	14.5
67.05178	6.8
67.05503	95.3
69.03429	10.8
69.07059	19.8
79.05498	72.0
80.73782	5.2
81.07055	97.5
83.04981	9.3
83.08614	52.3
91.05469	23.5
93.07040	75.9
95.04971	8.3
95.08603	57.1
97.06542	6.0
97.10178	95.1
105.07007	18.0
107.08591	49.2
109.10137	33.1
117.07034	11.7
119.08571	18.0
121.10146	30.5
123.11730	14.1
125.09628	71.9
131.08536	17.5
133.10098	12.9
135.08067	7.1
135.11697	25.2
138.26292	4.8
145.10123	6.6
147.11661	12.7
149.13222	15.8
150.74773	6.1
153.08972	5.0
159.11665	13.2
161.13254	9.8
163.11288	5.9
173.13248	10.8
187.14816	8.3
189.11218	87.8
227.12788	80.3
229.14400	8.9
243.21074	15.8
245.13875	100.0
261.22141	66.6
279.23300	7.4
317.24722	11.6
335.25793	46.6
455.00562	6.4
487.34174	10.9
505.35147	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	523.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01865	8.2
55.05508	95.5
57.03444	16.4
57.07058	8.1
59.04989	4.0
67.05502	96.0
69.03418	8.0
69.07061	24.1
71.08627	5.6
79.05489	60.7
81.06580	5.8
81.07050	99.6
83.04961	9.5
83.08612	50.3
85.06523	4.0
90.07716	2.9
91.05472	27.9
93.07035	63.4
95.04950	9.3
95.08604	73.3
97.10160	97.9
99.08058	4.4
104.51927	3.1
105.07014	22.1
107.08589	62.0
109.10148	33.7
111.08070	7.1
117.06992	12.6
119.08629	14.0
121.10132	30.0
123.11696	16.1
125.09627	100.0
125.10559	4.8
131.08530	17.0
133.10117	11.0
135.08035	13.5
135.11690	23.3
137.13248	6.5
143.10635	7.9
145.10129	14.8
147.11703	14.0
149.13232	12.3
152.24428	3.0
153.09053	7.0
154.94139	6.3
159.11697	10.4
161.13225	7.9
163.14807	8.0
171.10168	7.7
172.95233	35.1
173.13283	11.8
187.14764	5.7
189.09583	5.8
189.11209	76.7
190.96297	25.9
194.11520	3.1
195.96657	2.9
196.36360	3.8
210.97668	4.5
227.12778	89.6
228.97824	9.5
233.22717	3.3
243.21124	17.0
245.13834	98.9
246.98961	6.8
261.22116	71.9
279.23151	6.0
307.78305	3.3
313.27338	4.7
317.24783	12.0
335.25784	69.2
413.30435	3.3
428.07324	3.3
431.31833	4.2
454.88025	3.2
467.20938	8.4
487.33975	12.1
505.35049	17.7
510.01825	3.5
523.23254	14.7
523.35376	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	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01872	7.3
55.05511	70.6
57.03424	17.5
57.07073	7.3
65.03929	3.6
66.46915	2.6
67.05504	88.6
69.03429	8.8
69.07069	25.5
71.08642	6.0
71.58082	4.6
74.76806	2.4
79.05494	62.5
81.03416	6.5
81.07057	100.0
83.04979	7.7
83.08620	47.2
91.05479	33.0
93.07040	63.8
95.04989	7.8
95.08602	62.8
97.10161	78.6
99.08108	3.4
104.10701	3.3
105.07024	25.0
105.15062	3.1
107.08593	56.6
109.06551	4.8
109.10160	30.3
111.08149	5.8
117.07029	11.5
119.08570	17.2
121.10149	28.9
123.11729	14.1
125.09628	68.0
131.08569	17.5
133.10141	17.3
135.08058	7.7
135.11690	29.3
137.13280	4.3
143.10661	4.3
145.10144	14.0
147.11693	9.6
149.13312	16.4
153.09109	5.5
159.11723	10.1
161.13295	9.7
163.14803	8.4
164.61627	3.2
171.10239	5.5
172.95270	7.5
173.13268	10.6
175.14882	3.9
184.07376	5.2
187.14861	5.6
189.11205	73.2
190.96312	6.2
193.12259	5.1
227.12784	67.7
228.13010	3.9
243.21147	12.1
245.13849	71.7
246.78708	2.8
260.51147	3.0
261.22141	68.8
267.16034	3.7
279.23145	7.2
284.74457	3.2
313.27390	3.2
317.24789	13.3
335.25818	59.0
352.94470	2.9
413.30328	4.5
431.31287	3.5
467.20966	3.2
487.34094	8.2
503.96515	3.9
505.35028	27.6
523.23737	4.0
523.36749	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	27.0
67.05499	64.1
69.03421	50.6
69.07067	33.3
70.06586	58.2
71.09598	27.1
71.58063	37.5
79.05478	55.6
81.07050	96.2
83.08652	28.4
85.02894	79.1
86.09695	75.8
91.05470	67.8
93.07072	41.6
95.04971	42.0
95.08606	83.4
97.02856	39.4
105.07037	34.0
107.08567	52.5
109.10143	45.8
119.08578	62.5
120.08060	36.1
121.10088	38.6
133.10120	29.3
135.08011	32.1
137.05981	100.0
145.10098	34.6
150.18617	31.0
159.11737	30.1
166.38591	24.0
189.05827	34.0
415.49734	30.4
523.26727	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	523.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03934	13.0
55.01857	8.0
55.05508	27.7
57.03423	8.2
57.07061	13.5
61.02912	6.4
67.05504	43.0
68.99779	9.4
69.03424	52.9
69.07068	49.4
71.04987	10.7
71.08625	6.4
71.56838	3.5
71.57172	3.5
73.02908	5.6
79.05489	36.7
81.03424	39.0
81.07050	100.0
83.04970	10.6
83.08618	23.7
85.02901	42.4
85.06526	14.6
87.00819	13.7
91.05477	31.9
93.07031	45.8
95.01289	4.1
95.04959	20.1
95.08605	87.5
97.02884	25.3
97.06514	6.2
97.10160	14.1
99.04454	11.6
99.08038	4.8
105.01852	4.7
105.03390	4.7
105.07039	46.4
107.04966	10.3
107.08570	39.4
109.02869	29.6
109.06504	13.9
109.09475	4.0
109.10159	44.4
111.04433	15.4
111.08090	5.6
111.11698	3.5
113.08297	3.1
115.03938	6.1
117.07023	11.1
119.08584	38.0
121.06524	7.5
121.10151	32.1
123.04401	4.1
123.08054	10.4
123.11698	20.7
127.03918	46.9
128.06200	6.7
129.06985	12.5
131.08586	24.1
133.06499	4.9
133.10130	30.8
135.08020	11.9
135.11671	15.1
137.06003	8.3
137.13260	16.2
142.07753	5.0
143.08559	11.7
145.06500	3.6
145.10130	26.4
146.99821	3.1
147.04420	3.6
147.08040	9.4
147.11667	21.2
149.09547	9.0
149.13254	24.5
155.08543	5.7
157.10107	18.1
159.08070	10.0
159.11700	25.1
161.09581	10.7
161.13251	15.4
163.11215	5.8
163.14807	16.9
165.09039	5.4
165.12700	4.2
169.10097	9.2
171.11667	12.9
173.09543	8.0
173.13248	14.4
175.07549	3.4
175.11163	8.1
175.14828	6.0
177.12668	4.2
177.16428	6.2
183.11658	7.8
185.09595	4.4
185.13225	9.0
187.11247	6.3
187.14792	4.4
189.09068	8.6
189.12738	5.0
189.16415	3.7
197.13226	4.3
199.11168	4.9
199.14828	9.0
201.16231	3.8
207.10135	4.1
209.38391	3.4
211.14728	3.7
213.03955	9.3
213.12727	5.1
213.16409	4.8
215.14326	4.8
275.20035	5.6
287.05438	9.5
289.10605	7.2
291.26797	5.4
303.26791	10.7
307.11761	4.3
333.27765	6.9
347.29211	5.8
357.27750	5.4
359.29330	4.6
383.29428	26.1
401.30469	38.7
419.31442	15.1
467.19901	3.6
479.33939	3.9
487.30267	11.0
505.31741	23.9
523.32867	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01860	13.3
55.05310	3.0
55.05512	34.9
57.03429	7.7
57.07075	16.7
61.02904	7.5
63.81703	3.2
67.05502	40.9
68.99790	7.6
69.03423	41.2
69.07060	54.0
71.04984	4.5
71.08617	8.3
71.11863	2.8
71.57664	6.0
73.02898	3.2
77.27551	2.8
79.05496	30.2
81.03400	22.2
81.07051	91.9
83.04967	10.6
83.08617	33.6
85.02894	37.0
85.06522	14.2
85.10162	5.8
87.00829	14.5
91.03967	3.6
91.05470	26.7
93.07041	43.5
95.04954	12.1
95.08600	100.0
97.02881	18.1
97.06516	11.6
97.10175	15.2
99.04440	6.9
99.08073	6.1
105.01872	5.1
105.07015	37.7
107.04974	7.4
107.08591	54.6
109.02886	4.8
109.06525	12.2
109.10158	54.6
111.04445	13.7
111.08069	12.9
111.11711	7.2
115.03912	10.0
117.07031	11.0
118.81716	3.2
119.08564	34.6
121.06478	10.9
121.10141	25.9
123.04418	5.1
123.08051	8.2
123.11678	23.8
125.09679	5.4
127.03940	6.9
129.01816	4.1
129.07019	7.6
131.08562	21.1
133.10114	24.3
135.08029	7.4
135.11676	18.9
137.06003	5.4
137.09648	8.6
137.13248	6.1
141.08025	3.7
143.08551	9.2
145.04926	4.1
145.10120	22.9
147.08008	6.2
147.11679	18.3
149.09644	6.6
149.13237	22.8
153.09073	5.6
155.08548	8.6
157.10208	8.3
159.02895	8.6
159.11687	17.6
161.09648	5.0
161.13213	13.0
161.31734	3.5
163.07477	4.2
163.11125	5.2
163.14774	6.9
165.09099	7.6
165.12743	4.0
165.16457	4.1
169.10129	4.5
171.11714	9.4
173.09637	4.6
173.13278	9.1
175.14850	7.9
177.09097	3.8
177.12689	4.0
177.16411	6.6
179.14310	4.1
183.11684	4.2
185.09602	4.6
185.13307	5.2
187.14731	6.3
189.16374	7.0
191.17892	7.5
197.13118	4.3
201.03957	5.2
201.12750	5.0
201.16391	3.5
203.17955	5.0
205.19530	4.1
215.17902	4.0
219.21129	6.7
231.05045	4.2
259.24298	7.1
271.24222	4.5
273.25720	8.9
275.16260	3.7
285.25867	7.1
299.27548	5.3
303.26837	9.5
315.26782	4.4
341.28256	4.1
347.29431	5.4
359.29529	4.0
365.28247	7.6
383.29404	11.4
401.30487	15.1
419.31476	7.8
487.30481	11.4
505.31400	16.0
523.32928	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01860	7.9
55.05507	32.3
57.03422	5.5
57.07064	12.2
67.05505	42.1
68.99779	4.9
69.03432	41.1
69.03780	5.3
69.07066	55.0
69.34810	33.9
71.04990	5.9
71.08648	6.2
73.02872	4.1
79.05497	28.1
81.03422	18.2
81.06581	6.2
81.07056	100.0
83.04985	10.2
83.08607	24.3
85.02892	30.9
85.06548	8.3
87.00823	16.1
88.07681	3.6
91.05470	26.9
93.07034	52.1
95.04951	15.3
95.08598	96.6
97.02893	21.8
97.06524	9.5
97.10181	13.5
98.20782	6.7
99.04430	7.4
99.08096	3.7
105.01820	4.2
105.07025	33.4
105.64192	3.3
107.04961	7.5
107.08578	45.9
109.02885	12.3
109.06528	14.2
109.10149	53.2
111.04435	11.9
111.08078	14.7
111.11722	6.6
115.03918	5.1
117.01840	3.9
117.07004	8.9
119.08574	28.3
121.06488	3.7
121.10126	24.9
123.04436	5.5
123.08081	4.4
123.11713	27.4
125.09599	5.3
125.48375	3.2
127.03913	11.1
129.01849	3.3
131.08566	20.1
133.10127	23.4
135.08028	6.7
135.11673	19.6
137.05940	4.5
137.13261	11.5
143.08598	13.4
145.04973	4.9
145.10156	15.4
147.11705	17.2
149.09625	8.8
149.13222	36.6
151.07574	5.9
151.14880	4.7
155.08566	5.8
157.10158	11.7
159.02876	8.8
159.11716	13.8
161.09590	9.6
161.13249	13.7
163.14821	16.1
165.09077	5.7
165.16415	3.7
171.11685	8.7
173.09550	4.2
173.13240	11.9
175.11285	3.3
175.14873	6.1
177.09132	5.1
177.12819	4.2
177.16380	4.3
185.13351	4.2
187.14722	4.3
189.16403	3.3
191.17923	3.4
195.11772	3.7
201.03931	6.8
207.34399	3.4
215.10751	3.1
217.19501	3.1
225.10916	3.2
226.44800	3.4
227.17929	4.0
231.04933	4.2
273.25803	7.9
303.26810	10.3
315.26929	5.7
329.28510	4.3
333.27835	4.6
359.29568	3.9
365.28424	6.8
383.29459	10.7
401.30328	16.5
419.31400	9.4
487.30597	10.3
505.31180	8.3
523.32758	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	523.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05506	2.8
59.42779	1.3
67.05489	6.0
69.03431	2.2
69.07059	2.5
71.19305	2.9
71.19632	1.7
79.05508	2.5
81.07066	6.7
83.08611	2.3
85.02889	1.5
88.65826	1.3
91.05484	5.6
93.07038	5.7
95.04967	2.0
95.08601	4.8
97.02884	1.5
103.05445	2.4
105.07012	5.5
107.04955	2.5
107.08614	2.5
109.10165	1.9
115.05447	1.8
118.04214	2.2
119.04922	2.0
119.08599	3.2
121.06499	4.1
121.10097	1.6
131.04942	3.8
131.08484	1.9
131.84496	1.5
132.05693	3.8
133.06511	3.4
133.10115	3.4
135.04445	1.6
137.09662	1.6
145.06493	1.6
145.10072	1.7
147.11653	1.6
149.06032	2.3
153.01823	7.4
158.07281	9.0
159.04486	1.5
161.06007	4.2
169.06416	3.4
171.02934	3.4
176.04814	2.0
177.05556	3.2
183.04445	2.8
185.06035	1.5
186.06750	9.0
191.06973	2.4
192.07813	2.3
197.05943	2.3
201.05551	2.1
201.09081	10.2
213.05510	2.0
214.06290	17.0
225.05487	2.7
227.07140	1.5
229.08694	1.8
240.07884	1.8
242.05795	5.6
257.08075	15.3
268.07385	2.7
270.05203	5.4
285.07562	81.3
286.07779	1.5
296.06702	2.1
297.07449	3.1
300.06326	3.0
313.07034	100.0
314.07672	2.7
315.08621	17.3
337.56940	1.5
493.14957	5.6
505.14951	47.2
523.15991	53.3
523.28326	2.7
524.16162	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	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22390	0.1
55.05502	0.3
56.05028	0.7
56.24276	0.1
57.03440	0.2
57.07078	0.2
58.06633	0.5
59.07394	0.2
60.08163	6.5
67.05501	0.4
69.07079	0.7
69.60141	0.9
69.60567	0.3
70.06590	0.2
71.07372	3.1
79.05496	0.2
81.07066	0.3
83.08617	0.2
85.10215	0.2
86.09704	31.8
87.10055	0.2
91.05469	0.2
93.07035	0.2
95.08597	0.3
98.97853	0.3
98.98463	3.6
104.10743	2.9
107.08574	0.1
116.99541	0.2
121.31212	0.1
125.00001	22.9
135.11720	0.2
143.01041	0.4
154.94075	0.2
166.02589	0.2
172.95258	0.2
184.07336	100.0
185.07607	0.7
190.96260	0.3
206.05444	0.1
221.56145	0.1
258.11063	0.1
504.34433	1.0
520.97992	0.2
522.35553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50812	0.3
55.05503	1.8
56.05035	1.7
57.03429	0.4
57.07057	0.9
58.06599	1.3
59.07370	0.5
60.08162	17.8
67.05505	1.7
69.07075	2.2
70.18620	1.5
71.07377	6.9
71.08614	0.5
79.05487	0.9
81.07059	1.5
83.08608	1.5
86.09703	54.5
93.07050	1.1
95.08594	1.1
97.10152	0.7
98.20842	0.4
98.98454	4.2
102.92615	0.3
104.10740	100.0
105.11113	0.4
107.08606	0.4
109.10165	0.6
121.10144	0.8
124.99998	32.3
135.13660	0.4
143.01060	0.5
145.30228	0.3
149.13232	0.4
163.01540	0.5
166.02707	0.4
172.95206	1.0
184.07333	99.1
190.96292	0.8
228.97879	0.6
233.13391	0.4
258.11002	1.0
339.29028	1.1
445.27121	0.6
504.34528	7.2
505.34885	0.5
522.35553	21.1
523.35339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05509	13.7
56.43832	1.5
57.03415	1.9
57.07075	3.1
58.45734	1.5
59.05011	7.8
59.55926	1.7
65.03929	2.7
67.05494	13.6
69.03419	4.6
69.07064	35.6
69.95309	3.1
69.95719	5.5
70.06568	1.7
70.41497	1.7
71.04982	5.0
79.05494	18.8
81.07051	100.0
82.07362	1.6
83.04961	2.9
83.08624	7.8
85.02894	7.1
85.06544	2.4
86.09689	2.3
87.00835	2.3
91.05450	11.0
93.07039	27.2
95.04974	4.8
95.08610	34.2
97.02886	3.6
97.06521	6.4
97.07104	1.6
97.10178	2.5
100.86907	1.5
105.07020	27.3
106.07377	1.6
107.08588	35.4
109.06512	6.8
109.10150	31.8
111.08073	3.3
111.11723	5.9
119.04977	1.9
119.08570	29.8
121.10122	25.1
123.08062	2.6
123.11710	22.9
125.09634	5.3
127.03931	4.7
131.04961	2.5
131.08542	2.3
133.10123	23.7
135.11687	14.7
137.06010	2.2
137.09567	3.5
139.11171	4.3
145.10081	3.0
147.11687	30.5
149.13242	18.9
151.11211	3.5
153.12720	6.9
160.12311	1.9
161.13277	10.5
163.14812	7.6
165.12714	11.5
175.14845	6.3
182.08699	1.7
182.76683	1.5
203.17924	31.3
221.18994	41.7
221.21069	2.8
231.04913	1.6
252.70778	1.4
414.22598	3.2
460.23239	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	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01873	4.3
55.05511	32.1
55.19534	2.2
57.03437	3.4
57.07067	9.3
57.12706	2.3
67.05504	58.7
68.96003	2.3
69.06720	3.5
69.07066	37.6
70.72395	2.3
71.04993	2.8
71.08631	4.3
71.57951	2.8
74.09206	2.3
76.73013	2.3
77.03891	2.4
79.05495	29.3
81.07055	100.0
83.04969	4.0
83.08620	24.0
85.06528	4.5
86.09657	2.3
91.05457	22.5
93.07050	28.8
94.08337	2.3
95.04990	3.6
95.08607	36.5
97.06516	5.4
97.10155	11.4
99.04433	2.7
99.08100	3.4
105.07019	23.6
105.60910	2.3
107.04965	3.8
107.08594	23.1
109.06524	4.9
109.10138	17.8
117.07051	2.6
119.08556	25.9
121.10153	27.2
123.11714	22.6
131.08548	3.9
133.10130	6.6
135.11693	10.9
137.13234	7.3
145.10088	2.8
147.11684	49.2
149.13248	2.8
163.11125	2.9
165.12746	29.6
183.13770	4.6
187.84941	2.2
193.12305	3.5
209.11644	3.4
219.21034	4.0
229.14421	7.3
237.22162	5.2
240.77060	2.1
267.15887	40.9
267.59372	2.4
349.23679	3.0
521.38470	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01863	3.1
55.05508	14.1
57.03424	1.8
57.07078	29.9
60.59460	1.0
65.03932	2.6
67.03036	1.0
67.05502	27.8
69.03429	2.9
69.07067	11.9
71.04983	2.8
71.08278	1.8
71.08636	20.6
71.44183	1.8
71.64062	1.0
73.02911	1.8
79.05061	1.8
79.05493	23.1
81.03405	3.1
81.07056	29.5
83.04999	3.2
83.08623	12.3
85.06564	1.1
85.10165	8.7
91.05456	8.4
91.66657	1.3
93.07044	31.7
95.04951	6.5
95.08607	44.1
95.34827	1.3
97.02897	3.6
97.06526	2.2
97.10176	3.8
99.04441	3.4
103.05453	1.3
105.07037	7.7
107.04960	8.0
107.08595	22.1
109.06506	2.9
109.10155	10.4
111.04419	1.8
111.08038	1.5
112.72138	1.2
117.07019	9.5
119.08593	7.9
121.06496	4.8
121.10163	10.0
123.11705	5.2
125.06007	2.5
130.07785	3.1
133.10155	3.5
135.11693	38.1
137.13260	1.9
143.08627	1.4
145.10123	23.9
163.11179	53.0
166.10716	1.2
173.09598	1.1
178.76857	1.2
181.12230	12.5
190.37192	1.2
209.11787	3.5
227.12787	100.0
239.23640	5.6
252.73264	1.3
292.32306	1.2
362.68558	1.3
388.95422	1.2
420.68362	1.3
521.38428	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
54.91719	1.2
55.01865	3.5
55.05262	1.9
55.05507	19.9
57.03424	2.1
57.07075	25.8
59.04992	1.5
65.03938	2.1
67.05502	59.5
69.03423	2.2
69.07069	15.1
70.83315	3.1
70.83657	2.2
71.04990	4.2
71.08628	27.1
73.02911	1.5
79.05064	1.9
79.05489	25.1
79.13134	1.2
79.25164	1.2
81.03419	3.1
81.07056	46.3
83.04987	3.3
83.08618	17.9
85.06538	2.2
85.07559	1.5
85.09695	1.8
85.10175	9.8
91.05471	16.7
93.07039	36.5
95.04968	9.5
95.08604	51.0
97.02872	3.5
97.06517	4.3
97.10161	6.5
98.55199	1.4
99.04461	4.7
99.08093	4.5
105.07023	10.5
107.04961	8.8
107.08591	25.8
109.06505	2.2
109.10156	28.8
111.08057	2.7
117.06987	7.9
119.08581	13.2
121.06511	6.6
121.10133	17.4
123.11696	7.0
125.05999	2.3
125.09668	1.5
131.08601	3.9
133.10117	5.2
135.08054	3.6
135.11684	43.3
137.13251	2.0
145.10120	26.5
147.11687	5.1
149.09608	2.1
151.11137	1.7
155.08485	1.5
163.11171	58.0
165.12805	2.7
173.11736	4.0
181.12210	13.7
191.10770	1.9
209.11763	4.6
210.67555	1.6
227.12775	100.0
228.13353	1.8
229.14386	2.1
239.23788	3.6
267.15854	1.8
275.20093	3.3
293.21094	32.7
310.22766	1.6
521.39063	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01849	1.0
55.05509	31.6
57.03437	2.5
57.07067	5.7
60.46648	1.0
65.03940	2.1
67.05504	51.3
69.07066	42.9
71.03708	2.4
71.04985	4.6
71.08617	3.0
79.05488	26.5
81.07053	100.0
83.04979	4.8
83.08616	24.3
85.06548	6.0
91.05473	23.8
93.07039	21.4
95.04976	5.1
95.08605	39.2
96.75697	1.1
97.06526	6.8
97.10175	11.9
99.08099	3.1
105.07030	30.1
107.08588	15.8
108.54547	1.1
109.06515	4.5
109.10162	9.8
111.08056	1.8
111.11771	2.5
113.06017	1.4
118.09058	0.9
119.08576	24.5
121.10139	30.4
123.08097	3.1
123.11700	29.8
125.70127	1.2
127.07554	2.0
132.32562	1.2
133.10109	1.7
135.11668	11.4
137.13255	5.1
141.09074	1.5
147.11681	61.8
149.13255	4.4
163.11066	1.3
163.14819	2.1
165.12747	30.6
183.13811	3.3
207.57059	1.1
210.10472	1.2
219.21100	4.4
229.14374	4.7
237.22205	7.9
267.15891	43.8
385.47983	1.1
392.36649	1.1
521.38367	53.7
522.39349	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	521.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01860	7.8
55.05507	74.2
57.03435	19.8
57.07068	3.8
59.04979	4.4
61.02924	4.2
67.05499	100.0
69.03405	7.3
69.07057	24.1
69.70041	21.9
71.04987	4.5
79.05489	65.4
81.07046	75.1
82.07381	4.3
83.04952	8.1
83.08610	43.4
85.02897	4.5
85.06518	4.1
91.05468	67.9
93.07032	62.0
95.04953	9.5
95.08587	33.6
97.06540	7.1
97.10156	76.3
99.08042	3.3
105.07020	68.2
107.04979	5.0
107.08582	56.2
109.06509	8.1
109.10136	48.9
111.08046	5.0
115.05417	3.8
117.06992	16.3
119.08566	62.4
121.10125	27.2
123.11716	5.6
125.09613	57.9
129.05510	3.8
129.06985	10.2
130.78958	3.3
131.08525	26.1
133.10103	49.6
135.08025	11.7
135.11691	16.6
139.11143	3.8
139.36603	3.4
143.08546	8.7
145.10110	30.7
147.11682	55.8
147.54213	3.4
149.09679	5.0
149.13235	12.1
153.09181	5.1
157.10078	6.9
159.11691	18.1
161.09625	3.8
161.13223	40.7
161.70320	3.0
163.11113	4.9
163.14787	3.9
169.10129	5.3
171.10269	4.2
171.11650	10.9
173.11725	9.4
173.13261	19.4
175.11087	3.5
175.14806	16.7
177.12683	3.4
185.13280	10.7
187.14806	7.2
189.11205	56.5
189.12814	3.2
199.14633	4.1
215.17847	4.4
227.12776	41.3
229.14368	15.7
231.21078	7.9
238.04622	3.4
241.19540	34.9
245.13820	71.2
257.19025	7.5
259.20535	81.8
260.21054	3.4
275.20050	20.1
277.21631	7.3
293.21060	6.3
301.22772	4.1
315.23135	7.9
333.24252	43.9
336.26266	21.1
336.29657	3.5
349.23770	5.6
367.17892	4.8
423.27350	5.6
448.34863	3.0
461.18924	4.6
485.32559	5.4
503.33594	22.1
521.34302	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	521.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73606	1.6
53.03931	8.0
55.01865	9.8
55.05304	1.8
55.05508	19.5
57.03437	3.9
57.07058	6.8
61.02914	4.5
61.42527	1.8
62.08247	1.9
63.59805	1.8
65.03924	4.5
67.05500	43.1
68.99767	6.3
69.03427	48.7
69.06736	2.0
69.07065	31.9
70.11290	6.8
71.01327	2.7
71.04981	5.0
71.08630	3.2
73.02932	2.5
79.05074	2.2
79.05491	35.0
81.03413	42.0
81.07050	86.1
83.04978	11.7
83.08624	16.0
85.02901	33.6
85.06521	2.7
87.00821	14.8
87.04433	2.1
88.98852	2.0
91.05473	35.8
93.06477	4.2
93.07038	68.8
95.04964	27.5
95.08601	100.0
97.02881	18.6
97.06524	7.6
97.10152	8.9
99.04456	8.7
103.03942	2.4
103.05466	4.1
105.01873	5.9
105.07021	44.8
107.04935	8.4
107.08588	66.4
107.09300	4.5
108.03584	1.7
109.02872	15.5
109.06532	12.1
109.10144	54.0
111.04452	16.7
111.08028	5.0
111.11690	4.8
113.02357	2.7
115.03894	5.9
117.07010	9.7
119.07804	4.3
119.08575	44.8
121.06479	10.6
121.09329	3.0
121.10142	44.7
123.04417	9.6
123.08049	8.3
123.11684	21.4
125.05981	4.3
125.09556	3.6
126.08993	2.0
127.03927	24.2
128.06219	2.2
129.01828	4.6
129.05473	2.1
129.06985	7.6
131.08568	22.9
133.06485	4.3
133.10115	41.9
135.08040	10.3
135.11681	29.8
137.05962	5.9
137.09586	16.2
137.13248	8.3
139.11134	2.8
142.07668	3.1
143.08591	9.4
145.04871	1.9
145.06490	4.4
145.10107	23.4
147.08043	8.9
147.11676	28.3
149.09572	6.1
149.13235	26.2
151.07542	3.6
151.11151	4.7
155.08546	2.5
157.10132	10.4
159.02861	2.7
159.08049	5.9
159.11668	16.1
161.09648	11.7
161.13266	21.2
163.11148	6.6
163.14816	13.5
165.09070	3.1
165.12747	4.2
167.08559	2.6
171.11684	8.1
172.86955	2.3
173.09517	3.2
173.13237	13.8
175.11212	3.6
175.14806	10.5
177.09068	3.5
177.12737	5.4
177.16362	4.9
179.10632	3.8
183.11716	2.8
185.13229	5.7
187.11177	2.8
187.14771	7.9
189.03819	2.7
189.12668	3.5
189.16312	8.5
191.17928	3.0
197.13264	2.7
199.14751	3.1
201.03981	2.0
201.12637	3.8
201.16405	8.6
203.17984	3.4
211.14769	2.2
213.03946	3.6
215.17944	8.3
217.19478	4.6
227.17984	4.5
229.19447	3.7
229.82202	2.0
257.22766	2.4
259.24380	2.8
271.24103	3.4
273.25745	4.2
285.25891	2.9
303.26718	3.4
313.25293	3.9
315.26663	2.6
331.26276	7.9
337.25443	2.1
343.26407	2.1
353.28329	2.2
355.26288	3.6
357.27716	4.4
363.26590	5.3
371.29623	4.1
381.27884	16.3
399.28931	39.3
417.29947	17.9
435.31158	4.7
485.28964	10.4
491.30362	2.2
503.30109	19.2
521.31012	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	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07942	0.3
55.05492	1.1
55.84296	0.3
56.05034	1.7
57.03442	0.3
58.06567	1.2
60.08158	18.0
67.05499	3.1
69.07060	1.3
70.06577	0.3
71.07365	7.9
79.05484	1.1
81.07046	3.2
81.92303	0.2
83.08616	0.9
86.09697	58.1
87.10015	0.3
91.05479	0.6
93.07034	0.6
95.08592	2.0
97.10117	0.3
98.98454	4.6
104.10733	100.0
105.07040	0.4
105.11072	0.6
105.28574	0.2
107.08556	0.5
109.10155	0.4
119.08547	0.3
121.10176	0.2
124.99992	32.4
143.00964	0.3
157.79395	0.3
163.01450	0.4
184.07320	98.6
185.07684	0.6
258.11029	1.0
337.27274	1.3
443.25415	0.5
502.32877	7.6
520.33954	19.1
521.34308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64074	0.3
50.66020	0.3
53.03926	0.4
55.01857	0.8
55.60413	0.3
61.02910	0.3
61.04760	0.3
61.52800	0.3
61.62710	0.3
62.17902	0.3
67.01529	0.5
67.01862	4.9
68.99776	2.2
69.03436	2.0
69.98560	1.1
69.98969	0.6
71.05005	0.6
73.02890	0.7
81.03413	2.8
85.02904	4.0
87.00825	1.7
89.63462	0.3
91.03935	0.4
91.05454	2.5
93.07025	0.5
95.04977	0.7
97.02889	2.3
98.20795	0.5
99.04460	1.2
105.01866	1.0
107.04959	1.7
109.02866	2.3
111.00801	0.5
119.04948	6.8
120.53775	0.3
121.02882	0.4
121.06503	2.6
123.04395	1.8
124.78537	0.3
125.02358	0.4
127.03905	3.7
129.01825	1.6
137.05952	0.8
145.04933	1.2
147.04402	22.4
148.04840	0.3
151.03873	0.8
153.01819	87.0
154.02081	0.8
159.02898	1.3
163.03964	0.5
167.03366	0.4
171.02875	38.3
179.03391	2.0
189.05440	0.5
195.02855	1.4
219.02936	0.8
231.06682	0.7
261.03879	0.7
271.05991	0.9
273.07553	100.0
274.07855	1.5
353.59586	0.4
367.59586	0.4
381.08948	0.4
446.70798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10089	0.1
55.05506	0.3
56.05032	0.7
57.03429	0.1
58.06630	0.5
58.32843	0.1
59.07391	0.2
60.08161	6.5
67.05497	0.7
67.32519	0.1
69.07060	0.3
70.03063	0.2
70.03457	0.3
70.06577	0.1
71.07368	3.5
81.07040	0.5
83.08608	0.1
86.09701	35.2
87.10034	0.2
91.05479	0.2
91.48119	0.1
93.07018	0.2
95.08614	0.5
98.20834	0.1
98.98458	3.3
104.10739	3.3
105.07062	0.1
109.10197	0.1
116.99438	0.1
124.99998	23.7
136.34956	0.1
143.01050	0.3
146.82251	0.1
166.02684	0.1
184.07330	100.0
185.07695	0.6
239.90887	0.1
258.10925	0.1
293.04712	0.1
337.27377	0.1
386.61011	0.1
502.32904	0.8
520.34039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.6
57.03436	8.0
67.05503	20.8
67.96643	4.4
69.03415	14.7
69.07064	11.9
70.61553	9.8
70.61943	9.6
71.04993	21.2
71.72244	4.0
79.05500	24.9
81.03426	8.4
81.07053	58.7
83.08614	8.9
85.02891	14.1
85.06548	7.7
87.00816	16.3
91.05465	24.8
93.07026	38.9
95.05006	6.5
95.08605	18.9
97.02888	14.0
97.06503	5.7
99.08086	19.8
103.05457	5.1
105.01863	18.4
105.07028	90.9
107.08577	35.7
109.06525	9.8
109.10124	22.9
117.06959	5.3
119.08592	32.1
121.10160	20.3
123.08059	4.2
123.11694	7.3
125.09615	46.6
127.03940	12.3
127.07558	13.7
127.11168	5.7
131.08542	12.2
133.09123	5.4
133.10117	100.0
135.11703	5.5
137.05995	19.6
143.10657	75.8
145.10138	14.2
147.11638	37.8
148.61546	4.4
149.13257	11.7
151.11163	12.7
159.11725	12.7
161.13269	10.6
167.14307	10.1
201.16351	22.6
219.17403	49.4
237.18504	13.1
387.44055	4.9
476.97144	4.5
502.14679	5.2
526.72089	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	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.6
57.03436	8.0
67.05503	20.8
67.96643	4.4
69.03415	14.7
69.07064	11.9
70.61553	9.8
70.61943	9.6
71.04993	21.2
71.72244	4.0
79.05500	24.9
81.03426	8.4
81.07053	58.7
83.08614	8.9
85.02891	14.1
85.06548	7.7
87.00816	16.3
91.05465	24.8
93.07026	38.9
95.05006	6.5
95.08605	18.9
97.02888	14.0
97.06503	5.7
99.08086	19.8
103.05457	5.1
105.01863	18.4
105.07028	90.9
107.08577	35.7
109.06525	9.8
109.10124	22.9
117.06959	5.3
119.08592	32.1
121.10160	20.3
123.08059	4.2
123.11694	7.3
125.09615	46.6
127.03940	12.3
127.07558	13.7
127.11168	5.7
131.08542	12.2
133.09123	5.4
133.10117	100.0
135.11703	5.5
137.05995	19.6
143.10657	75.8
145.10138	14.2
147.11638	37.8
148.61546	4.4
149.13257	11.7
151.11163	12.7
159.11725	12.7
161.13269	10.6
167.14307	10.1
201.16351	22.6
219.17403	49.4
237.18504	13.1
387.44055	4.9
476.97144	4.5
502.14679	5.2
526.72089	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	520.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43352	1.1
53.03944	1.3
55.01878	2.3
55.05510	2.6
56.05026	4.8
57.03421	1.1
57.77621	1.0
58.99587	16.4
61.01144	1.1
64.70449	1.1
65.03930	1.8
67.05502	15.1
69.03427	1.5
69.07062	3.7
69.56079	4.8
69.56499	3.2
70.06577	1.7
71.04980	2.5
72.08152	1.3
73.01106	1.6
74.00655	2.1
76.02221	32.9
76.04008	2.7
79.05492	9.6
80.05026	2.0
81.03400	1.9
81.07053	18.6
82.06574	1.8
83.04977	2.8
83.06069	2.4
83.08611	3.1
84.04505	9.1
85.02906	3.7
85.06568	2.6
86.00648	8.0
86.06071	1.2
86.09714	1.5
86.99058	5.3
87.02673	2.5
88.02205	4.2
91.05449	9.2
93.07040	12.5
94.06542	2.6
95.04962	2.1
95.08616	6.6
96.04451	1.3
97.01117	9.1
97.02888	1.9
97.06530	4.1
97.10159	1.4
99.02686	2.3
102.05540	4.5
105.07021	6.3
107.04969	1.9
107.08582	8.4
109.02905	1.4
109.06532	2.0
109.10152	2.0
111.02658	5.2
111.08104	1.6
112.03979	1.2
113.04220	1.4
114.03719	2.2
114.05513	1.5
116.01672	24.9
117.07006	2.7
119.08596	3.2
121.06496	2.3
121.10144	3.8
122.03625	1.4
123.02637	1.8
123.11727	1.9
129.06659	3.9
130.05011	4.2
131.08569	5.5
133.10158	8.2
135.08064	1.3
135.11700	4.5
137.04210	1.5
137.05969	11.5
142.03206	5.2
143.02818	1.4
144.01155	8.1
145.04979	1.4
145.06129	1.4
145.10156	1.8
147.11659	2.8
149.09613	1.4
149.13248	6.7
151.11165	3.1
153.73441	1.3
159.11687	4.1
162.02200	21.4
165.07336	1.2
167.07152	1.3
170.02710	1.4
173.13182	2.1
177.12692	5.8
179.04855	18.3
187.05276	1.6
189.03300	1.4
191.08731	2.0
194.15408	1.2
195.13811	10.8
198.15062	1.3
212.16467	5.0
213.14908	3.3
215.04877	1.4
218.15530	1.6
219.17485	1.4
225.13026	1.5
226.12538	3.5
233.05847	1.4
235.11549	1.3
244.13649	1.8
245.05855	1.9
252.14073	8.2
253.12602	3.4
270.14951	20.4
270.17612	2.0
272.06467	1.4
273.12390	2.6
288.16251	15.0
298.15027	1.4
308.09338	2.2
312.12692	3.6
327.17453	2.1
330.13733	1.3
340.12891	3.5
355.16632	1.7
373.17886	100.0
374.18234	2.7
391.18896	4.3
427.18738	1.2
445.19955	7.6
476.31131	1.5
502.21640	2.5
502.29205	1.5
520.22888	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	520.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01859	6.7
55.05500	2.1
57.03432	15.1
59.04996	2.0
60.04514	3.8
61.02916	7.9
62.15762	1.6
63.11084	1.6
67.05498	2.0
67.28927	1.5
68.99792	1.9
69.03426	81.5
69.86933	4.7
69.87323	4.3
70.06570	2.9
71.04990	5.4
73.02894	4.5
75.04460	2.5
81.03413	24.2
81.07099	2.3
81.98074	1.5
83.04971	7.4
85.02900	100.0
87.00821	35.9
87.04460	22.6
93.07022	2.1
95.04991	3.5
97.02887	73.8
97.03522	3.9
98.20914	2.9
99.04434	17.6
103.03969	2.7
105.01858	77.0
105.07016	12.3
107.32869	1.7
109.02869	32.0
111.04437	4.7
115.03915	38.0
119.04919	2.3
119.08541	1.9
123.04417	3.0
127.02960	4.0
127.03905	77.4
129.05467	4.0
133.04948	22.7
137.05966	15.0
138.06311	3.7
139.03888	3.4
145.04953	32.6
147.04385	4.1
150.07610	19.2
151.03925	3.1
159.02890	11.1
167.07031	2.0
177.05463	4.8
181.04927	1.7
189.03928	5.5
189.55496	1.7
201.03992	1.8
205.05017	3.0
213.03923	8.5
213.09134	5.6
223.06114	3.0
231.04976	34.2
241.07124	6.3
249.06000	11.2
259.08170	2.3
273.06122	2.6
309.05984	2.7
327.07098	8.2
335.11517	2.3
345.08017	14.3
363.09079	4.6
449.15875	2.0
450.97223	1.8
520.24500	25.8
543.78168	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2932
Annotation	Segetalin G
Peak:m/z	Relative Intensity
53.27546	0.6
55.05497	1.8
57.03428	0.9
57.07066	0.6
60.12207	0.6
67.05506	3.8
67.86700	0.6
71.57191	0.9
79.05495	1.7
81.03439	0.7
81.07059	3.9
83.08611	0.9
85.02861	0.7
91.05478	2.2
93.07032	1.3
95.04971	0.7
95.08591	0.9
97.02851	0.8
97.06539	0.6
105.07027	0.8
107.05006	0.6
107.08598	1.7
109.02824	0.7
109.10162	2.3
115.07589	0.5
117.06998	0.9
119.08571	2.2
123.04353	0.6
129.58261	0.6
131.04860	0.6
131.08589	1.2
133.10083	1.1
137.06004	0.7
143.08572	0.8
145.10112	1.0
147.04381	0.5
149.09567	0.6
165.24446	0.6
167.05588	1.0
171.11772	0.7
172.27843	0.8
266.99951	0.8
273.18390	1.0
275.19928	0.6
299.06094	1.9
336.14267	0.7
344.97571	0.8
427.23581	1.7
445.24527	1.4
501.27396	3.2
519.29242	100.0
520.29443	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	519.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05501	0.7
58.70052	0.4
61.02923	0.5
65.03941	0.5
67.05486	1.3
69.03416	1.4
69.07073	2.2
69.29691	0.4
70.06574	0.5
79.05476	1.6
81.03404	1.3
81.07047	2.7
83.04964	2.9
85.02895	2.5
85.06535	0.8
87.00801	0.7
91.05468	2.1
93.07040	2.1
95.01309	0.7
95.04954	2.2
95.08586	0.9
97.02876	1.0
97.06530	3.2
99.04447	1.8
105.07035	4.3
107.04930	1.0
107.08569	1.8
109.02894	0.7
109.06500	2.8
111.08094	0.4
115.05461	0.5
117.06993	1.0
119.04963	2.5
119.08573	1.2
121.02859	0.7
121.06501	2.2
121.10145	0.4
122.03608	0.6
123.04446	0.6
125.05975	4.7
127.03912	1.0
127.07533	0.9
129.07016	0.8
129.93633	0.4
131.08568	1.1
133.06450	0.8
133.10188	0.6
135.08138	0.5
135.11681	0.6
137.05971	7.3
141.01785	1.1
143.07025	3.2
143.08524	0.6
144.09369	0.6
145.02852	0.8
145.10103	7.1
147.11687	0.5
149.05878	0.5
149.09528	0.5
151.07532	1.2
151.27214	0.4
153.01802	4.3
153.72548	0.4
158.07286	0.6
159.08029	1.0
159.11690	2.7
159.52167	0.4
161.06035	0.8
161.09625	0.4
163.03909	0.5
163.11232	2.6
169.10106	0.5
171.02885	0.8
172.08809	0.5
173.09619	3.4
175.07530	1.1
177.05461	0.7
177.12733	1.0
183.36102	0.4
187.07533	0.5
187.11140	6.3
189.12747	0.5
191.10667	3.0
197.09567	0.8
205.12196	5.0
209.11708	2.5
215.10677	6.7
233.11693	4.4
251.12741	4.2
269.13907	1.0
271.06000	100.0
272.06317	4.4
283.06192	0.6
295.09616	0.4
299.06345	0.7
307.15323	0.8
325.16382	1.7
343.17490	1.1
345.74911	0.5
347.12628	0.7
357.09888	0.5
365.13815	0.9
372.16605	1.3
433.11099	0.9
443.04944	0.4
448.15085	1.5
449.15747	0.5
501.19519	0.7
519.11072	1.1
519.20294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99768	2.5
55.05503	4.8
58.58471	2.7
65.03937	2.6
67.05493	12.4
68.50282	2.9
69.03423	5.5
69.07056	9.3
70.06584	3.0
70.10834	12.8
71.04976	7.9
75.96274	3.2
79.05481	13.0
81.07051	23.7
83.04978	13.8
85.02896	11.1
85.13213	2.7
86.09661	3.5
86.19659	3.0
91.05466	13.1
93.07045	9.7
95.01321	9.3
95.04956	18.6
95.08601	4.3
97.06532	15.8
99.04425	5.3
105.07005	22.9
107.08588	8.0
109.06483	15.0
111.04459	5.1
113.02379	2.8
113.06015	3.4
117.06989	4.2
119.04955	8.0
119.08556	8.3
121.06503	10.7
121.10132	4.0
122.03674	4.5
123.04464	5.1
125.06027	18.7
125.06812	4.8
127.07552	8.7
129.06992	6.2
130.07733	3.6
131.04842	3.9
131.08537	6.4
133.06491	7.2
135.08084	4.0
137.05972	100.0
141.01799	8.1
143.07065	14.3
143.08577	4.8
145.06558	3.4
145.10109	31.0
147.04402	12.2
149.05981	3.4
149.09666	5.3
151.03870	4.6
151.07507	9.7
153.05432	3.4
155.06996	3.3
159.06570	2.9
159.07959	4.8
159.11635	9.7
161.05945	4.6
163.11176	10.0
173.09612	20.5
175.07512	3.0
177.05516	5.2
177.12730	3.8
187.07565	6.0
187.11162	28.7
189.09058	6.4
191.07060	3.3
191.10619	15.4
199.07532	3.1
205.12216	27.2
209.11731	17.4
215.10620	23.9
223.13222	4.3
230.07092	3.2
233.11633	16.9
234.06769	3.3
249.09004	3.0
251.12727	34.6
261.09253	3.9
271.05927	15.6
274.58337	3.4
275.10632	3.6
277.08551	5.7
289.08548	3.7
293.08215	4.6
293.11536	2.9
301.08347	4.4
307.15268	5.6
315.09790	3.6
320.10434	4.0
321.11261	4.3
325.16400	4.3
332.10294	4.0
335.12830	6.6
343.17557	15.8
347.12769	9.2
365.13840	11.7
377.13898	5.8
395.14905	7.0
414.10150	3.4
415.11639	5.8
429.13385	5.2
430.14053	5.3
448.15137	29.7
501.19028	7.4
519.19507	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	519.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01874	2.9
55.05487	1.5
67.05506	2.2
69.03427	2.3
69.07045	3.0
69.35065	12.9
71.01347	1.0
71.04984	1.1
79.05493	4.7
81.03380	1.4
81.07051	3.9
83.04971	5.2
85.02917	4.2
86.09738	1.2
91.05429	6.6
93.07065	6.2
94.04182	3.8
95.04964	5.3
95.08632	1.6
97.06525	3.9
98.20702	2.3
103.05475	2.3
105.07031	8.0
107.04964	3.2
107.08585	3.1
109.06519	3.6
115.05438	1.7
117.07008	1.9
119.04920	6.0
119.08513	2.8
121.06522	5.2
122.03627	7.7
123.04496	1.5
125.05972	6.6
126.82978	1.2
129.06998	2.4
130.07745	1.6
131.04948	2.3
131.08575	2.2
133.02861	1.8
133.06491	3.5
135.04472	1.5
137.05969	100.0
139.07549	2.0
141.01788	1.5
143.04962	3.6
143.07037	3.5
145.06512	1.4
145.10141	8.3
147.04402	5.1
147.08101	1.3
147.11702	2.1
149.05951	2.7
151.03889	8.1
151.04977	1.6
151.07549	4.7
157.06511	1.9
157.08617	1.9
159.11748	3.5
161.05983	6.7
163.07446	1.5
163.11194	7.7
172.05235	1.6
173.09613	7.4
174.06796	2.1
175.07524	7.0
177.05461	3.5
187.07568	4.3
187.11162	8.7
189.09128	2.7
191.07030	2.4
191.10658	4.0
197.09633	2.0
197.23145	1.5
198.06761	1.4
199.07648	2.1
205.08478	2.0
205.12338	4.7
209.11653	2.1
211.07520	2.9
215.08876	1.5
215.10643	6.7
217.08525	2.4
219.08118	2.4
221.09628	1.3
232.08771	1.4
233.11700	9.3
235.07582	2.2
239.06888	1.4
241.08635	3.7
243.08090	1.6
245.09425	2.8
251.06999	1.4
251.12804	4.0
261.09094	2.9
263.07053	2.0
265.08490	2.4
269.13867	1.8
271.06128	3.5
275.10928	2.1
277.08749	3.0
278.09598	1.5
280.07336	1.7
283.09906	2.2
284.08374	1.3
287.10699	1.9
289.08792	1.6
290.09393	1.3
291.10104	1.8
294.09067	1.7
295.09579	2.6
297.11185	2.2
300.07800	1.5
305.08270	1.6
306.08527	1.2
307.09750	2.2
309.11273	2.0
315.10159	3.9
320.10272	2.6
321.11209	3.9
323.12692	2.3
325.16580	3.5
327.12378	5.7
331.10040	1.7
332.10443	3.6
333.11191	1.8
335.12967	5.8
346.12411	1.8
347.12811	7.9
356.10110	1.7
357.13315	4.1
359.12851	1.7
365.13904	8.9
377.13693	3.8
385.10965	1.7
387.12000	1.9
390.27524	1.3
395.14957	5.9
415.11627	3.6
418.14258	1.9
429.13422	3.0
430.14206	3.3
439.15491	1.4
448.15189	19.3
449.15762	4.4
461.15805	4.1
471.17868	2.2
483.17966	1.7
489.18149	1.4
501.19086	7.7
519.17462	12.6
519.24469	7.8
519.31848	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	519.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01874	2.9
55.05487	1.5
67.05506	2.2
69.03427	2.3
69.07045	3.0
69.35065	12.9
71.01347	1.0
71.04984	1.1
79.05493	4.7
81.03380	1.4
81.07051	3.9
83.04971	5.2
85.02917	4.2
86.09738	1.2
91.05429	6.6
93.07065	6.2
94.04182	3.8
95.04964	5.3
95.08632	1.6
97.06525	3.9
98.20702	2.3
103.05475	2.3
105.07031	8.0
107.04964	3.2
107.08585	3.1
109.06519	3.6
115.05438	1.7
117.07008	1.9
119.04920	6.0
119.08513	2.8
121.06522	5.2
122.03627	7.7
123.04496	1.5
125.05972	6.6
126.82978	1.2
129.06998	2.4
130.07745	1.6
131.04948	2.3
131.08575	2.2
133.02861	1.8
133.06491	3.5
135.04472	1.5
137.05969	100.0
139.07549	2.0
141.01788	1.5
143.04962	3.6
143.07037	3.5
145.06512	1.4
145.10141	8.3
147.04402	5.1
147.08101	1.3
147.11702	2.1
149.05951	2.7
151.03889	8.1
151.04977	1.6
151.07549	4.7
157.06511	1.9
157.08617	1.9
159.11748	3.5
161.05983	6.7
163.07446	1.5
163.11194	7.7
172.05235	1.6
173.09613	7.4
174.06796	2.1
175.07524	7.0
177.05461	3.5
187.07568	4.3
187.11162	8.7
189.09128	2.7
191.07030	2.4
191.10658	4.0
197.09633	2.0
197.23145	1.5
198.06761	1.4
199.07648	2.1
205.08478	2.0
205.12338	4.7
209.11653	2.1
211.07520	2.9
215.08876	1.5
215.10643	6.7
217.08525	2.4
219.08118	2.4
221.09628	1.3
232.08771	1.4
233.11700	9.3
235.07582	2.2
239.06888	1.4
241.08635	3.7
243.08090	1.6
245.09425	2.8
251.06999	1.4
251.12804	4.0
261.09094	2.9
263.07053	2.0
265.08490	2.4
269.13867	1.8
271.06128	3.5
275.10928	2.1
277.08749	3.0
278.09598	1.5
280.07336	1.7
283.09906	2.2
284.08374	1.3
287.10699	1.9
289.08792	1.6
290.09393	1.3
291.10104	1.8
294.09067	1.7
295.09579	2.6
297.11185	2.2
300.07800	1.5
305.08270	1.6
306.08527	1.2
307.09750	2.2
309.11273	2.0
315.10159	3.9
320.10272	2.6
321.11209	3.9
323.12692	2.3
325.16580	3.5
327.12378	5.7
331.10040	1.7
332.10443	3.6
333.11191	1.8
335.12967	5.8
346.12411	1.8
347.12811	7.9
356.10110	1.7
357.13315	4.1
359.12851	1.7
365.13904	8.9
377.13693	3.8
385.10965	1.7
387.12000	1.9
390.27524	1.3
395.14957	5.9
415.11627	3.6
418.14258	1.9
429.13422	3.0
430.14206	3.3
439.15491	1.4
448.15189	19.3
449.15762	4.4
461.15805	4.1
471.17868	2.2
483.17966	1.7
489.18149	1.4
501.19086	7.7
519.17462	12.6
519.24469	7.8
519.31848	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	519.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01864	0.8
55.05497	0.6
57.03416	1.0
65.16653	0.4
66.95452	0.4
67.01851	0.5
67.05495	2.5
69.03423	2.8
69.07061	3.0
69.07359	0.5
69.25204	5.5
70.06564	0.5
71.05000	0.7
73.02881	0.6
75.58510	0.4
79.05494	3.1
81.03391	1.1
81.07059	4.2
83.04981	5.1
83.79232	0.5
85.02914	3.1
85.06538	1.1
85.46947	0.6
86.09694	0.5
87.00802	0.7
91.05446	3.5
93.07042	3.4
95.01332	1.6
95.04967	5.1
95.08599	1.6
97.02891	0.9
97.06534	4.3
99.04448	2.3
101.06020	0.6
105.01877	0.6
105.07014	6.3
106.58729	0.5
107.04945	1.3
107.08627	3.1
107.92094	0.5
109.02865	1.3
109.06506	3.5
109.10148	0.8
111.08075	1.1
115.05442	0.7
117.07008	1.4
119.04923	3.4
119.08569	2.2
121.02820	0.6
121.06516	3.2
121.10093	1.0
122.03635	1.0
123.04394	1.1
125.05163	0.7
125.05992	6.5
127.03908	1.8
127.07554	1.7
128.06190	0.6
129.07028	1.1
130.07796	0.5
131.08572	3.0
133.06459	1.5
133.10118	0.7
135.04430	0.6
135.11847	0.5
137.05972	12.7
141.01813	1.6
141.06958	0.6
143.07040	4.2
143.08551	1.5
145.02838	0.8
145.06540	1.3
145.10117	9.8
147.08055	1.1
147.11691	1.1
151.07536	1.6
153.01813	4.8
153.05420	0.6
154.07701	0.9
155.08592	0.7
157.08560	0.5
158.07271	1.0
159.07988	1.0
159.11676	4.4
161.05974	1.1
163.11176	4.6
167.05573	0.5
167.07071	0.8
169.08711	0.6
169.10094	1.4
171.02904	0.9
173.09624	6.5
175.07526	1.2
177.05400	0.9
177.09129	0.5
177.12772	1.9
187.07559	1.0
187.11160	7.1
189.09029	0.5
191.10670	3.0
197.09616	1.4
205.12245	7.4
209.11780	2.6
210.00284	0.5
215.10654	9.3
223.13213	1.1
225.05688	0.5
231.76863	0.6
233.11679	7.0
251.12794	6.5
261.09198	0.5
265.08411	0.5
269.13812	1.2
271.06000	100.0
272.06299	5.1
277.08575	0.7
283.06226	0.8
287.35324	0.5
297.11371	0.6
299.06168	0.8
307.15186	0.8
309.11060	0.6
315.09991	0.6
321.11234	0.8
323.12674	0.7
325.16495	2.2
335.12778	1.2
342.08704	0.6
343.17416	2.2
344.88254	0.6
347.12897	0.8
365.14218	0.7
372.16528	1.1
426.73059	0.5
433.11234	0.6
448.15164	1.7
487.17636	0.7
495.86053	0.5
501.19553	0.8
503.79480	0.5
519.11108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.6
67.05499	0.6
68.99767	0.5
69.03409	1.0
70.06581	1.0
70.92603	1.4
76.02206	0.8
78.89324	0.5
79.05473	0.9
79.17670	0.5
81.03397	0.8
81.07035	1.4
81.25707	0.5
85.02898	1.3
91.05433	3.3
93.77385	0.5
94.04204	1.4
95.04939	0.8
97.02863	0.7
103.05455	0.6
105.06997	0.7
107.04927	1.1
109.02847	0.7
109.06496	1.2
119.04917	1.9
121.02879	0.6
121.06507	0.6
122.03627	3.2
127.03931	0.8
128.06194	0.8
129.06985	1.1
131.04974	1.1
131.08568	0.9
133.02829	0.9
133.06465	0.6
135.04355	0.8
137.05969	39.3
141.06964	0.7
144.05618	0.7
145.02824	1.0
147.04413	1.5
149.02324	1.8
149.05923	1.1
151.03914	1.4
151.07497	2.1
153.01823	4.5
153.07025	0.5
157.06511	1.0
158.07188	0.7
159.04395	0.7
159.08026	0.9
160.05103	0.8
161.05969	4.8
165.05519	0.5
167.05602	0.8
167.07062	0.8
168.05777	0.5
169.05009	0.5
169.06432	1.1
174.06738	0.9
175.07498	3.8
177.05489	2.5
177.09042	0.9
179.04773	0.6
181.06471	0.7
186.06775	0.6
187.07471	2.9
189.09088	2.3
191.06973	1.3
197.06010	1.2
198.06705	0.6
199.07503	1.2
201.05360	0.5
211.07487	1.1
213.09114	1.1
215.06987	5.1
217.08545	1.4
218.07280	0.8
221.09673	0.7
226.06181	0.8
231.08009	1.1
232.08667	0.7
233.09706	0.9
234.06676	0.7
235.07527	0.5
241.08585	2.1
243.06345	3.0
245.09424	0.8
246.06599	0.6
249.09105	0.8
251.10680	0.5
253.04982	1.6
261.09024	1.6
263.06921	1.2
264.07825	0.7
269.08063	0.8
270.08884	0.8
271.05994	100.0
272.06256	4.5
275.10620	1.3
276.07800	0.8
277.08661	1.3
278.09308	0.6
280.07294	0.6
283.09692	1.7
284.08429	0.7
286.06201	0.6
287.10611	0.9
289.08475	1.7
290.09412	0.6
291.10031	1.0
293.11685	0.9
294.08774	1.3
295.09637	2.2
297.11139	1.0
301.08572	1.6
302.09393	0.7
303.10083	1.4
305.08136	1.0
305.11682	0.9
307.09573	1.6
309.11279	1.1
315.10080	2.0
316.10794	1.7
317.08133	0.7
317.11591	0.7
319.09698	1.0
320.10458	1.9
321.11182	2.8
322.12042	0.6
323.12640	1.4
325.10757	0.9
327.10101	0.8
331.09665	1.0
332.10452	1.8
333.11011	0.5
335.12814	4.0
339.12372	0.5
344.10526	0.8
345.11554	0.7
347.12918	4.2
355.09628	0.6
359.12665	0.9
365.13885	4.4
371.09140	0.9
372.09995	1.3
373.17908	2.8
377.13748	2.0
384.09692	0.7
385.10873	1.1
387.12112	1.4
395.14847	2.9
399.12158	1.2
408.13492	0.7
414.10764	1.0
415.11667	2.6
429.13309	1.7
430.13818	1.1
439.15402	0.9
448.15167	13.1
449.15787	3.3
451.15128	0.8
461.15784	2.8
471.17596	0.7
483.17917	1.9
487.17224	0.7
489.19028	0.7
501.19186	5.2
519.20135	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	519.1129
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05485	0.3
57.03406	0.2
67.01842	0.2
67.05488	0.5
68.99786	0.7
69.03426	0.8
69.07053	0.4
71.57090	0.3
71.57443	0.2
73.33763	0.1
79.05482	0.4
81.03398	0.6
81.07055	0.9
85.02892	0.8
87.00813	0.3
91.05458	1.9
93.07034	0.6
95.04939	0.5
95.08591	0.6
97.02877	0.4
97.06529	0.2
99.04460	0.3
103.05453	0.2
105.07016	0.6
107.04932	0.4
107.08569	0.5
109.02838	0.5
109.06477	0.4
109.10131	0.3
111.00819	0.3
111.04413	0.3
115.05432	0.3
117.03327	0.2
117.06982	0.3
118.04182	0.2
119.04936	0.9
119.08564	0.7
121.02831	0.4
121.06460	0.3
121.10110	0.4
122.03642	0.4
123.08031	0.2
123.11644	0.2
125.05967	0.2
127.03907	0.6
129.01805	0.2
129.06946	0.2
131.04904	0.5
131.08559	0.6
133.02832	0.3
133.10118	0.4
135.04422	0.2
137.05968	4.7
139.94124	0.1
141.06976	0.6
143.08536	0.2
145.02809	1.4
145.06432	0.4
145.10121	0.4
146.52769	0.2
147.04420	0.3
147.08064	0.3
147.11629	0.3
149.02339	2.7
149.13214	0.2
151.03886	0.7
151.04953	0.2
151.07492	0.3
153.01820	6.0
157.06392	0.2
157.10104	0.2
159.03027	0.2
159.04398	0.9
159.08054	0.4
159.11655	0.3
161.05980	0.6
165.01852	0.6
167.05518	0.2
167.06963	0.2
169.06482	0.9
171.08008	0.2
171.11748	0.1
173.05991	0.5
173.09641	0.2
175.07544	0.6
177.05457	0.6
181.06458	0.2
183.02841	0.2
187.03831	0.3
187.07529	0.9
187.11070	0.2
197.05957	1.4
198.06773	0.2
199.07521	0.3
201.05458	0.3
205.12248	0.2
211.07484	0.2
213.09065	0.2
215.07011	5.5
215.18047	0.2
225.05460	0.6
227.07031	0.3
243.06519	3.6
251.12723	0.2
253.04959	1.8
261.08914	0.2
271.05988	100.0
272.06271	1.7
272.08597	0.2
277.08612	0.3
283.09714	0.2
295.09592	0.3
299.06192	0.3
301.08640	0.2
303.10065	0.3
307.09711	0.2
315.09918	0.3
316.10748	0.2
321.11108	0.3
332.10507	0.2
335.12686	0.5
339.12192	0.2
347.12720	0.4
354.23734	0.2
365.13809	0.6
377.13660	0.2
387.12372	0.3
395.14523	0.4
415.11801	0.2
430.14044	0.4
448.15146	1.6
449.15845	0.2
501.18936	0.6
501.28351	0.2
519.11591	0.4
519.19751	0.6
519.29077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03642	0.1
55.05502	0.3
56.05024	0.6
57.03423	0.1
58.06622	0.4
59.07397	0.2
60.08158	7.1
63.04327	0.1
67.05496	0.7
69.07053	0.1
70.06592	0.1
70.29478	0.2
71.07369	3.9
79.05483	0.4
81.07037	0.5
83.08579	0.1
86.04028	0.1
86.09698	34.5
87.10031	0.2
89.24643	0.1
91.05466	0.2
93.07013	0.4
95.04918	0.1
95.08595	0.3
98.98454	3.7
104.10734	3.3
105.07047	0.2
107.08563	0.2
109.10155	0.1
112.99989	0.1
114.00933	0.1
116.99435	0.1
119.08588	0.1
121.10139	0.2
121.76331	0.1
124.99994	25.4
143.01004	0.4
150.83174	0.1
166.02620	0.1
184.07324	100.0
185.07684	0.6
193.04778	0.1
258.10974	0.3
327.38501	0.1
335.25909	0.1
500.31284	0.7
518.32391	0.9
541.86469	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05027	1.4
57.03436	0.4
57.73343	0.2
58.06569	1.2
60.08161	17.1
67.05500	2.2
69.07054	0.6
70.10847	1.4
71.07369	7.0
79.05491	1.9
81.07060	2.1
83.08590	0.3
86.09701	54.0
87.10012	0.3
91.05478	1.0
93.07031	1.7
95.08615	1.6
98.98458	4.4
104.10737	97.6
105.07032	0.7
105.11064	0.4
107.08576	0.6
109.10145	0.6
119.08568	0.4
121.10170	0.3
124.99997	30.9
133.10210	0.3
143.00981	0.3
150.31361	0.2
163.01588	0.3
164.66216	0.3
165.05083	0.2
180.34964	0.2
184.07329	100.0
185.07671	0.5
258.11050	1.2
264.22238	0.3
318.20364	0.3
335.25815	0.9
372.15012	0.3
441.24228	0.4
452.08203	0.2
500.31320	7.0
518.32397	14.7
519.32574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19780	0.7
53.03941	1.2
55.01867	1.1
55.05502	5.2
56.05024	1.8
57.03423	1.5
57.98797	0.8
58.99588	16.5
60.04554	0.6
63.47421	0.6
67.05503	4.3
69.03416	1.9
69.07051	1.6
70.06588	6.7
70.72965	2.3
71.04979	1.4
73.01143	0.7
76.02224	100.0
76.03994	4.1
78.96669	0.7
79.05478	6.0
80.05006	1.4
81.03414	17.9
81.07048	6.0
83.04984	6.7
83.06081	1.0
83.08616	4.9
84.04498	26.2
85.02904	1.4
86.09714	2.8
86.99029	3.3
88.02222	1.7
88.03987	0.8
91.05460	7.7
93.07048	2.6
95.04971	6.4
95.08614	2.3
97.02879	1.5
97.06552	0.6
97.10190	1.1
100.02161	0.7
102.05564	0.9
105.07033	4.3
107.04974	1.5
107.08615	1.3
109.06519	1.0
111.08086	1.6
114.03741	0.7
116.01672	24.3
119.08594	4.4
120.08072	0.7
121.06489	0.8
121.10133	1.5
122.03680	1.0
127.03978	1.2
129.06982	2.4
130.04999	13.1
131.08577	2.5
133.06433	0.8
133.10149	2.0
137.05972	9.9
137.09631	0.9
141.04837	0.6
142.03224	12.3
143.04921	0.6
144.01137	12.2
144.02177	0.8
145.06082	0.7
147.08031	1.4
147.11691	3.0
149.09616	0.9
151.03894	6.4
157.10147	2.9
162.02202	43.7
165.12788	0.8
170.02635	3.6
175.11203	3.2
178.04984	3.4
179.04848	84.6
180.05063	0.7
187.05441	2.4
193.12244	12.5
199.05298	0.7
203.10435	0.6
205.06439	0.7
206.04489	3.6
207.13768	0.7
211.13283	20.2
215.04810	3.5
216.03284	1.3
219.10095	0.8
233.05893	22.7
234.00340	0.8
245.05949	3.7
252.77164	0.6
261.07410	0.8
290.08090	1.9
291.06396	3.0
308.09097	46.2
357.13388	2.4
518.21277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.45217	1.3
53.03943	2.5
55.01866	2.2
55.05507	12.2
57.03435	6.2
57.07083	1.8
61.68583	1.1
61.81466	1.3
65.03942	1.9
67.05506	36.2
69.07072	19.1
71.05005	2.3
73.72868	1.3
77.50518	1.5
79.05496	31.0
81.07063	43.6
83.08618	8.9
85.06541	2.3
91.05475	26.1
93.07041	32.5
95.04964	4.3
95.08614	33.5
97.06531	4.2
97.10181	4.0
99.08131	1.5
105.07031	30.9
107.08592	21.4
109.06507	2.0
109.10155	11.6
117.07015	8.8
117.07743	1.5
119.08583	29.1
119.09361	2.7
121.10152	18.3
123.08116	1.8
123.11719	4.7
129.07019	6.5
131.08565	18.4
133.10139	20.9
135.07094	1.3
135.11696	12.0
141.07039	1.7
143.08578	6.1
145.10115	18.4
147.11676	12.8
149.13258	6.8
154.11116	1.4
155.08546	2.3
157.10103	6.9
159.11700	15.3
161.13292	10.2
163.14926	2.0
169.10107	3.3
171.11708	5.5
173.13300	8.9
175.14876	5.4
177.12943	1.5
183.11772	4.1
185.13315	6.4
187.14839	7.3
189.16391	2.6
197.13219	2.7
199.14818	4.0
201.16624	3.0
211.14690	2.3
213.16490	1.9
219.17285	1.4
225.16447	2.5
241.17874	3.7
257.18948	1.6
259.20621	3.1
287.23849	3.0
289.21671	3.5
299.23679	2.8
301.25452	2.2
305.24628	1.7
331.26392	3.4
333.24374	2.1
403.28253	1.6
405.29984	4.7
407.33139	7.2
419.31833	2.1
425.34140	14.4
443.35413	9.4
458.37885	1.5
499.37738	20.1
517.38873	100.0
518.39172	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	517.3887
Annotation	Toonaciliatin K
Peak:m/z	Relative Intensity
50.06505	0.7
53.03943	2.4
55.01882	1.1
55.05265	1.1
55.05514	16.2
57.03433	5.1
57.07064	2.6
61.05847	0.8
65.03938	2.3
67.05504	34.7
69.07063	17.8
71.04980	2.2
71.08623	0.6
71.58612	1.1
79.05492	27.4
81.07054	43.4
83.04976	1.5
83.08618	8.7
85.06556	2.2
88.79006	0.7
91.05476	25.2
92.81584	0.7
93.07040	34.2
95.04986	4.0
95.08604	34.3
97.06516	5.2
97.10176	6.0
99.08088	1.6
101.81232	0.7
105.07027	28.4
106.07401	0.8
107.08593	24.1
109.06505	2.0
109.10152	16.2
109.10835	1.3
111.08096	2.4
112.41663	0.8
113.00013	1.7
117.07017	9.0
119.08575	26.6
119.87643	0.7
121.10139	18.8
123.08085	1.5
123.11732	5.3
125.09591	1.6
128.06203	1.0
129.06982	5.2
131.08568	19.8
133.10124	22.8
135.08043	1.3
135.11684	10.4
137.09636	1.3
137.13243	1.1
139.11127	1.0
141.06934	1.1
143.08586	7.0
145.10117	19.0
147.11681	17.2
149.09625	1.5
149.13248	6.2
151.11215	1.3
155.08568	2.5
157.10121	7.3
159.11685	15.5
161.13268	8.8
163.11151	2.1
163.14879	2.6
165.12741	1.7
169.10120	4.4
171.11691	7.3
173.13248	12.5
175.14819	4.1
177.12781	1.4
177.16470	1.9
181.10133	1.6
183.11699	2.6
185.13255	5.6
187.14784	6.1
187.15970	0.7
189.16417	1.9
195.11797	1.5
197.13333	1.9
198.63530	0.8
199.13229	1.5
199.14853	3.6
201.16399	3.2
203.14270	1.0
203.17931	1.7
209.13300	1.0
211.14876	2.4
213.16457	1.8
215.17979	1.1
219.17397	1.0
224.28488	0.7
225.16408	1.9
227.18047	1.8
231.17403	1.6
233.19040	1.4
235.16977	1.0
241.17839	2.4
241.19856	1.5
243.21213	0.9
245.19312	1.0
250.36580	0.8
253.19572	0.9
259.20493	3.7
261.22168	1.0
271.20612	1.5
273.22281	1.7
285.22086	1.4
287.23721	1.9
291.23538	0.8
299.23764	2.7
301.25372	1.9
303.23318	1.1
313.25317	3.1
317.24677	1.8
325.25211	1.5
327.26758	1.4
331.26663	1.1
333.24338	2.3
335.25882	1.1
339.27280	1.3
361.27368	1.0
379.29666	0.8
391.28293	1.0
405.30234	3.7
407.32974	4.9
419.31766	1.3
425.34122	16.5
426.34119	1.1
443.35071	8.2
447.31299	0.9
459.35193	1.2
461.36530	1.7
481.36661	1.1
499.37814	20.8
500.38193	1.0
517.38892	100.0
518.39288	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03941	1.4
55.00108	0.8
55.01870	1.4
55.05513	15.8
57.03450	4.6
57.07079	2.5
61.07021	0.9
65.03932	1.9
65.40582	0.9
67.05504	34.7
69.07063	15.6
71.04973	1.2
71.57185	1.0
71.57722	1.6
79.05493	26.3
81.07056	38.4
83.04969	1.4
83.08624	7.4
85.06533	2.4
91.05478	23.4
93.07040	34.1
95.04956	3.9
95.08605	31.8
97.06541	4.2
97.10188	3.9
99.08079	1.9
105.04560	1.0
105.07028	28.9
107.08596	23.1
109.06514	1.8
109.10161	14.9
111.08086	1.7
111.11757	1.1
113.00046	1.5
117.07007	9.4
117.10289	0.9
119.08578	29.2
121.10141	18.8
123.08092	1.5
123.11744	3.9
124.80129	0.9
129.07011	6.9
131.08572	18.1
133.10127	16.7
135.07997	1.6
135.11665	10.3
137.13266	1.6
142.07813	1.3
143.08548	4.7
145.10124	16.0
147.11678	12.3
149.09639	1.4
149.13232	5.5
153.12686	1.0
155.08580	2.6
157.10120	7.6
159.11691	14.8
161.13245	6.8
163.11195	1.4
163.14816	2.8
169.10172	2.3
171.11658	6.5
173.13260	11.5
175.14806	3.2
177.12788	1.4
181.10208	1.1
183.11754	3.5
185.13210	5.5
187.14862	6.8
189.16461	2.3
191.14284	1.4
197.13283	1.4
197.64828	1.0
199.14880	3.4
201.12820	1.3
201.16502	2.5
209.13365	1.3
211.14917	1.4
213.16405	2.6
219.17458	1.3
223.16893	1.3
225.16364	1.5
227.16263	1.2
227.18219	1.1
235.17130	1.1
241.18010	3.1
241.20015	1.2
245.18997	1.6
259.20602	3.8
261.22192	1.0
271.20486	1.1
273.22125	2.1
277.21777	1.0
278.47812	1.0
281.21191	1.3
285.22034	1.4
287.23657	1.8
293.21338	1.3
299.23703	3.2
303.23129	1.6
313.25369	2.6
315.23300	1.4
317.24969	1.9
325.25250	1.5
329.25107	1.1
333.24432	1.7
335.25827	1.1
369.28195	1.2
391.28644	1.6
405.30325	2.3
407.33057	4.8
419.31943	1.5
425.34152	15.5
426.34805	1.1
443.35086	7.7
461.35870	1.2
481.36646	2.5
499.37753	17.6
517.38702	100.0
518.39423	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.8
52.04038	0.7
53.03942	2.3
55.01851	1.1
55.05268	1.4
55.05511	19.5
57.03439	6.7
57.07066	2.4
59.04972	0.9
65.03922	1.9
67.05504	47.7
67.63995	0.9
68.51682	0.7
69.07069	20.9
71.04984	2.9
77.03890	0.8
79.05490	31.6
81.07056	49.7
83.04965	2.8
83.08618	10.6
84.55748	0.8
85.06529	3.1
88.48986	0.8
91.05479	29.4
92.66762	0.8
93.07045	41.3
95.04968	5.2
95.08605	39.7
97.06531	4.4
97.10152	4.6
98.20633	1.4
103.05480	1.0
105.04487	1.0
105.07029	35.4
107.08596	27.4
107.09193	0.5
109.06516	1.7
109.10154	17.5
111.08089	3.1
113.00034	1.1
115.05443	1.6
117.07015	11.0
119.08578	34.6
121.10140	22.6
121.11031	1.0
122.86483	0.7
123.08082	2.6
123.11711	5.5
125.09641	2.2
128.06252	1.7
129.07001	5.7
131.08568	24.9
133.10130	24.4
135.08070	1.0
135.11694	11.9
137.13266	2.0
139.11215	1.2
141.06976	2.5
142.07750	1.1
143.08568	7.6
145.10120	22.0
147.11693	17.7
149.09607	1.0
149.13257	6.5
153.12788	1.1
155.08524	3.1
157.10124	7.7
159.11690	15.1
161.13232	9.4
163.11177	1.6
163.14819	3.1
165.12750	1.1
169.10126	2.6
171.11711	8.6
173.11902	1.6
173.13258	11.7
173.14668	1.0
175.14799	5.9
177.16367	2.1
178.51065	0.7
179.14371	1.0
183.11667	3.5
185.13272	5.6
187.14854	5.2
189.16367	2.5
191.14233	1.1
195.11676	1.2
197.13319	2.5
199.13243	1.6
199.14873	6.3
201.16402	3.1
203.14154	1.1
203.17847	1.1
205.15970	1.6
209.13356	0.8
211.14856	2.7
213.16458	2.0
215.17996	1.5
217.15906	1.4
227.18147	1.5
229.19601	1.1
239.18063	1.5
241.17686	4.0
245.18990	1.9
257.19012	1.4
259.20578	5.2
261.18469	0.9
261.22104	1.2
273.22159	1.1
277.21771	1.0
285.22198	1.7
287.23746	2.8
289.21597	1.1
291.19919	0.9
293.21082	1.0
299.23715	3.3
301.21725	1.1
301.25165	1.7
303.23282	1.1
311.23801	1.0
313.25366	2.4
315.23230	1.4
317.24731	1.5
319.22614	1.0
327.26819	1.2
329.24725	1.1
331.26294	2.3
333.24329	1.8
335.25824	1.2
341.24640	0.9
343.26245	1.3
347.25964	1.0
355.26471	1.3
361.27353	1.6
393.21555	0.8
405.29990	3.0
407.28140	0.9
407.33041	4.5
419.31451	1.2
425.34171	17.0
443.35330	8.5
481.37286	1.4
499.37851	23.9
500.38092	1.1
517.38892	100.0
518.39392	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03934	2.5
55.01855	1.3
55.05267	1.4
55.05512	17.6
57.03177	1.5
57.03426	7.5
67.05502	38.5
69.06716	1.9
69.07066	18.9
69.41403	13.1
71.04999	2.9
71.16644	1.4
79.05490	29.5
81.07054	44.8
83.04987	1.7
83.08600	11.5
85.06544	2.5
91.05479	24.4
93.07040	36.0
95.04960	4.5
95.08606	39.4
95.13002	1.4
97.06526	4.7
97.10172	3.8
99.08102	2.6
103.05498	1.4
105.07031	34.4
107.08587	28.6
107.42831	1.2
109.06522	4.3
109.10152	18.0
111.08046	2.2
113.00034	2.3
115.05431	2.0
115.48232	1.4
117.07014	11.6
119.08575	25.3
121.10151	20.6
121.17886	1.5
123.08088	2.2
123.11700	5.9
123.38313	1.2
125.09648	1.2
129.07005	5.9
130.28909	1.3
131.08560	23.2
133.10120	22.4
134.53343	1.2
135.08121	1.5
135.11684	13.7
137.13190	1.5
143.08560	5.6
145.10120	22.3
147.11690	17.1
149.09593	1.5
149.13261	7.5
155.08553	4.4
157.10115	7.1
159.11699	14.5
161.13228	8.7
163.11194	2.0
163.14876	4.1
169.10080	3.7
171.11635	6.8
173.13286	12.2
175.14806	5.5
183.11697	3.9
185.13249	6.4
187.14783	7.7
189.16391	2.8
195.11629	2.1
197.13245	2.5
199.14835	6.7
201.16318	3.0
209.13091	1.5
211.14722	2.5
213.16440	2.5
217.19292	1.4
231.17468	2.9
241.17899	3.3
245.19058	2.1
256.86197	1.7
257.19095	1.9
259.20593	5.0
275.20099	2.2
277.21771	1.8
287.23703	2.5
289.21671	2.1
295.22919	1.6
299.23666	2.4
301.21759	1.5
313.25162	1.7
327.26685	1.6
391.28558	2.1
405.30054	5.6
407.33151	7.1
425.34232	18.8
443.35461	8.5
447.31076	1.9
499.37833	24.0
517.38879	100.0
518.39441	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.75656	1.9
55.05513	12.2
57.03423	7.1
57.07068	4.8
60.08166	2.3
67.05499	24.8
69.07059	12.9
69.69213	14.7
71.05006	2.1
71.08615	5.5
79.05482	13.9
81.07052	32.7
83.04991	3.0
83.08615	5.0
86.09693	11.1
90.79160	2.1
91.05479	11.9
93.07048	15.9
95.04948	4.4
95.08143	1.8
95.08620	19.5
97.06531	3.9
97.10178	3.0
98.98430	2.4
99.08098	5.3
104.10741	14.9
105.07043	19.9
107.04949	3.0
107.08595	18.0
109.06512	13.1
109.10145	9.7
113.00018	100.0
117.07007	5.6
119.08585	14.7
121.10152	8.9
123.08073	26.4
123.11721	3.4
124.99995	6.1
125.09612	2.6
131.08549	7.0
133.10114	14.4
135.08026	18.1
135.11655	2.7
137.09636	4.1
143.08551	4.0
145.10121	7.9
147.11681	7.8
149.09587	5.5
157.10120	3.8
159.11681	5.3
161.09689	3.3
161.13254	4.2
163.11142	4.3
171.11786	2.6
173.13298	2.6
175.14818	9.0
177.12726	3.7
178.73891	1.9
179.14310	35.2
184.07339	19.6
186.75859	2.0
187.03673	14.6
193.15776	2.6
193.92552	1.7
205.15887	8.0
213.16313	2.4
233.19034	2.1
255.52235	2.3
275.19962	5.8
289.18158	1.7
289.21536	9.0
293.21088	2.0
303.26813	5.3
331.22385	2.9
331.26312	55.4
332.15704	2.0
347.25754	2.7
349.27420	10.1
384.34842	1.9
387.29074	9.7
405.30011	81.0
499.27914	2.0
517.28442	5.8
517.35785	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	2.3
55.01857	1.9
55.05508	20.1
57.03436	5.5
57.07067	2.9
58.95499	0.8
65.03931	2.0
66.32552	0.8
67.05505	46.4
69.07065	19.6
69.35277	0.8
69.72032	1.6
69.72340	6.3
71.04981	2.3
71.08625	0.9
71.91043	0.9
76.63560	1.1
79.05489	32.2
81.03393	1.0
81.07053	47.2
83.04981	2.8
83.08617	11.9
85.06544	2.8
91.05479	28.0
93.07040	39.3
95.04456	1.0
95.04935	5.4
95.08604	40.3
97.06532	3.1
97.10147	5.1
99.08092	2.3
105.07025	33.3
105.09737	0.9
107.08595	28.0
109.06517	2.5
109.10147	19.6
109.10828	1.3
111.08086	1.9
113.00025	2.3
113.09624	0.9
117.07000	10.6
119.08578	34.4
119.25049	0.8
121.10138	22.3
123.08096	3.6
123.11683	4.7
125.09647	1.7
129.07037	6.2
131.08566	24.5
133.06595	1.0
133.10124	26.6
133.11087	1.6
135.08101	1.4
135.11687	14.6
137.09618	1.1
137.13261	1.7
139.11142	1.0
141.06955	1.4
142.07771	1.1
143.08545	7.9
145.10135	20.7
147.11684	18.0
149.13261	8.3
151.14891	1.0
155.08574	3.7
157.10117	8.8
159.11693	19.8
161.09683	1.1
161.13240	9.6
163.03967	1.9
163.11179	1.2
163.14856	2.7
169.10158	3.6
171.11679	9.0
173.13274	13.2
175.14827	6.8
177.12834	1.7
177.16333	2.2
179.14343	1.2
183.11742	3.0
185.13237	7.7
187.14882	6.1
189.16415	2.6
191.14354	1.0
197.13297	3.0
199.13281	1.2
199.14865	5.2
201.16379	2.8
203.14334	1.1
203.17941	1.4
205.15941	1.6
211.14905	2.3
213.16434	2.9
215.17952	1.7
219.17459	1.4
225.16438	2.5
231.17583	1.3
233.19022	1.8
241.18007	3.0
245.18797	1.6
259.17996	0.9
259.20450	4.9
263.20068	1.3
271.20538	1.3
273.22107	2.4
277.21594	1.3
285.22235	1.7
287.23666	2.1
289.21652	1.2
299.20358	1.1
299.23749	2.5
301.25259	2.3
305.24615	1.2
313.25266	2.6
315.23236	2.0
315.26697	1.0
317.24789	1.7
323.23904	1.3
325.25436	1.0
327.26593	1.9
329.24701	1.6
331.26349	1.6
333.24292	2.9
343.26462	1.1
361.27182	1.1
369.27557	1.2
391.28873	1.3
405.30090	4.1
407.28354	1.2
407.33102	5.5
425.34152	18.1
425.39389	1.6
443.35220	10.1
447.30981	1.3
459.34708	1.6
461.36301	1.8
489.35788	1.0
499.37866	24.5
500.38257	1.0
517.38910	100.0
518.39362	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	517.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67979	0.2
53.03935	1.0
55.01860	0.7
55.45857	0.3
56.96543	0.3
57.03433	0.7
60.48398	0.3
61.02924	0.8
65.03926	0.3
67.05495	0.7
68.99765	0.6
69.03096	0.4
69.03428	4.8
69.07050	0.3
70.06600	0.4
70.30297	1.2
70.30684	0.5
71.04975	0.6
71.39920	0.3
71.99490	0.3
73.02898	0.8
79.05481	0.5
81.03401	3.4
81.07050	0.7
83.04964	0.3
84.04458	0.4
85.02900	5.8
87.00827	2.2
91.05470	1.3
93.07010	0.7
95.04980	0.7
95.08604	0.7
97.02890	2.3
97.06487	0.4
99.04448	0.9
103.03897	0.3
105.01884	0.7
105.07006	0.7
107.04947	0.9
109.02872	2.3
119.04955	0.5
119.08591	0.5
122.03689	0.3
125.48209	0.3
127.03919	3.2
129.01891	0.4
131.04900	0.4
133.02757	0.3
137.05963	1.2
142.33127	0.3
145.02826	1.2
145.04933	0.9
145.10120	0.5
147.04391	0.4
151.03917	3.1
159.02905	0.7
163.03894	0.5
163.07458	0.3
164.05638	0.3
170.07204	0.7
171.11652	0.3
177.05400	0.6
180.58380	0.3
181.06506	1.2
182.07310	0.7
185.09569	0.5
198.06749	1.2
201.05449	1.0
208.05116	0.4
210.06757	0.5
213.09093	5.9
226.06235	2.9
241.08598	2.4
251.07018	1.8
253.08511	0.7
254.05788	0.9
268.07449	0.4
269.08063	100.0
270.08301	2.3
293.08124	0.7
305.08017	0.4
311.09106	2.2
335.09152	0.6
337.10800	0.4
355.11917	0.5
431.13361	4.8
462.09772	0.3
499.12238	0.9
517.13214	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	517.1339
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
61.34862	0.1
63.10070	0.1
68.99756	0.1
71.13938	0.3
89.18958	0.1
105.07040	0.1
107.04949	1.4
108.02084	0.2
113.15098	0.1
118.04156	2.7
123.04374	0.1
133.02805	0.2
133.06512	0.2
137.02342	1.2
147.04370	0.1
152.06177	0.1
153.07016	0.2
154.02600	1.6
156.05679	0.2
158.07182	0.2
160.93921	0.1
163.03899	0.4
169.06462	0.1
170.07268	0.3
171.08041	0.1
181.06500	0.7
182.07256	0.5
195.08023	0.3
197.05978	1.6
198.06734	1.2
199.07550	0.1
209.05856	0.1
213.09096	5.6
220.29443	0.1
225.05473	0.7
226.04486	0.1
226.06238	3.7
237.05440	5.2
238.05888	0.1
239.07010	0.1
241.08473	0.2
249.64658	0.1
253.04942	4.3
254.05719	5.8
258.05090	0.2
269.08057	100.0
270.08426	2.5
517.13098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05498	6.4
58.54462	3.0
59.15424	3.0
61.02899	3.0
67.05494	7.8
69.03429	18.1
69.07045	7.5
69.12583	2.9
70.06594	3.6
71.08630	6.0
71.56803	4.1
73.33245	3.0
74.72456	2.7
79.05472	10.9
81.03411	6.2
81.07059	17.2
83.04981	6.5
84.08134	2.8
84.96026	2.8
85.02909	14.9
85.06527	5.5
86.09715	4.4
87.04436	3.2
91.05479	13.3
93.03406	4.8
93.07032	8.6
95.01328	12.9
95.04967	6.1
95.07327	5.1
96.04537	3.3
96.08089	5.5
97.02879	6.6
97.06523	3.4
97.10106	4.0
98.09683	3.6
100.11260	4.3
105.07045	7.9
107.04927	11.5
108.05717	4.4
108.08078	4.3
109.06506	8.3
110.06013	6.8
110.09623	3.2
112.03951	3.4
117.07027	3.4
119.04920	6.9
119.08569	7.7
120.08125	9.6
121.06487	8.2
122.09633	3.9
123.04411	6.5
124.03946	7.6
124.07588	4.5
125.04673	3.3
126.05492	4.3
131.08545	4.2
134.06007	9.5
135.04370	10.2
136.03955	5.6
136.07538	4.8
137.05948	12.1
138.05466	6.6
138.09108	14.3
139.07507	8.8
145.02808	5.3
145.06491	4.6
146.05974	3.4
146.09659	3.0
147.04362	10.3
147.08018	4.0
148.05135	3.8
148.07549	16.0
149.05923	4.5
149.08374	6.9
150.05521	3.4
150.09128	7.3
152.07100	6.5
152.14305	4.1
153.05455	6.7
162.05490	9.9
162.09103	7.4
163.03932	5.1
163.09915	3.8
164.07094	7.7
164.10667	5.5
165.05467	4.9
165.07950	3.4
166.08629	100.0
167.07039	10.5
167.09378	7.6
176.07065	35.4
176.10678	5.0
177.05449	6.1
177.07828	9.5
178.08607	15.4
180.06506	3.6
180.10132	15.3
181.04910	19.3
189.09535	3.0
190.08662	8.5
190.12267	5.6
192.06682	3.1
192.13907	5.7
194.08101	4.1
194.11755	6.2
194.15430	14.5
204.10109	3.7
204.13855	8.7
206.15402	5.2
208.13298	13.8
208.17036	3.7
209.04451	15.7
210.11240	5.3
216.06551	9.1
218.11725	5.8
218.15323	5.5
220.16872	5.0
221.14139	6.7
222.14857	11.9
224.16449	4.5
232.13283	10.2
232.16853	5.7
233.17644	4.0
234.14844	13.3
236.16437	61.3
248.16679	6.2
250.14421	23.1
250.59210	3.2
251.15172	27.6
251.55679	3.1
261.17297	27.8
262.17868	9.3
269.08124	16.1
270.13312	5.3
279.18188	7.3
284.11304	7.5
290.10077	6.6
312.57712	2.8
323.17276	9.0
326.16064	21.3
337.10590	3.6
341.18301	80.9
342.18625	3.7
344.30069	3.7
364.17505	6.2
380.13132	19.6
390.15259	4.8
406.18643	4.1
408.16415	88.3
426.17441	4.4
436.19690	69.7
452.19101	6.9
454.20624	8.6
471.38174	3.2
480.18719	25.3
498.19711	100.0
499.19794	3.6
516.20642	99.3
516.27612	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	516.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.6
50.99664	0.5
54.88208	0.5
55.01861	0.9
57.03418	0.7
61.02916	0.5
67.05484	1.2
68.99799	0.9
69.03412	1.7
70.06577	2.0
71.04980	0.9
71.56188	0.8
72.08154	1.3
73.02891	0.5
79.01855	4.5
81.03398	3.4
84.04461	0.6
85.02896	4.2
85.98199	0.6
86.09689	0.7
95.04961	0.7
97.02881	3.0
97.37144	0.5
99.04439	1.0
107.01295	3.3
107.25009	0.6
109.02871	8.5
111.04454	1.2
125.02331	6.5
125.77993	0.5
127.03908	17.1
136.07526	0.5
139.03891	62.7
140.04175	1.0
141.08972	0.6
141.23026	0.6
143.03383	6.9
145.04921	0.7
150.63377	0.5
153.01817	100.0
154.02185	0.8
167.03389	54.3
168.03761	0.7
171.02870	46.5
178.04512	0.6
185.04459	6.1
208.08502	0.9
241.06403	1.7
294.12711	0.5
297.06070	1.9
315.07190	1.5
448.34995	0.5
481.17987	1.0
542.38153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
53.39478	2.4
55.01863	2.6
55.05517	19.7
57.03440	6.2
57.07059	2.5
60.68885	2.3
65.03928	3.4
67.05505	63.4
69.07079	16.9
70.17590	2.4
71.04991	2.6
71.58228	2.9
74.58508	2.4
79.05064	4.2
79.05489	55.7
81.03413	4.6
81.07055	48.5
83.04978	11.8
83.08594	6.4
85.06496	2.3
91.05485	36.9
93.07043	67.8
95.04974	14.6
95.08614	32.9
97.06530	8.0
97.10169	5.3
104.03727	3.1
105.07034	17.4
107.04975	3.1
107.08599	37.4
109.10146	11.3
117.07032	13.6
119.08579	19.3
121.10143	24.8
125.09601	4.2
129.07024	4.8
131.08524	18.7
133.10164	16.5
135.11696	45.7
143.08537	5.1
145.10095	22.1
147.11662	6.7
149.13254	3.0
153.12759	3.9
155.08473	2.8
157.10126	3.4
159.11713	9.8
161.13284	5.4
163.11227	5.9
171.11789	3.9
173.13277	6.4
181.12225	3.1
183.11847	2.9
185.13286	4.3
187.14841	4.3
197.13200	3.5
258.08655	2.8
261.22202	5.2
270.20703	3.2
405.31494	7.4
422.62216	2.6
423.32544	10.6
497.36636	3.9
515.37323	100.0
516.36890	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.7
55.77925	4.4
57.03422	9.0
67.05176	5.8
67.05502	80.8
69.03416	12.7
69.07051	18.1
69.33761	46.5
79.05486	53.5
81.03429	5.8
81.07047	100.0
83.04980	6.3
83.08598	8.1
85.02895	5.8
91.05474	41.9
93.07032	67.3
95.04983	5.2
95.08601	67.7
97.02863	7.4
97.06541	8.0
97.10130	4.8
105.07057	29.6
107.08594	29.1
109.06501	10.8
109.10160	29.1
117.07012	19.0
119.08595	28.5
121.10135	27.3
123.08064	8.9
123.11689	12.3
129.07042	6.6
131.08571	25.7
133.10141	22.7
135.11667	25.7
145.10130	18.7
147.07979	5.9
147.11662	12.1
149.13225	19.9
157.10141	8.3
159.11684	16.4
161.13269	14.8
163.14813	8.7
169.53603	4.2
173.13240	15.4
175.14833	6.0
187.14761	9.4
243.21017	16.2
259.20334	4.8
261.22116	51.1
292.37482	4.2
335.25916	6.1
353.26846	9.8
369.24045	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00636	4.1
53.03915	6.0
55.05513	23.2
55.05732	4.7
57.03426	10.0
61.02907	6.5
67.05501	79.9
69.03423	26.0
69.07056	25.4
71.04984	9.5
73.02900	4.9
79.05498	52.8
81.03403	13.1
81.07050	100.0
83.04977	7.8
83.08603	13.3
85.02888	10.3
91.05468	45.5
93.07036	70.6
95.04943	14.0
95.08050	6.7
95.08605	81.7
97.02886	10.0
97.06519	8.7
99.08102	7.3
105.07009	43.3
107.04959	5.5
107.08593	32.0
109.06506	10.2
109.10130	27.9
111.08077	6.5
115.05472	5.2
117.06996	12.0
119.08544	25.2
121.06482	11.3
121.10129	37.6
123.08087	7.2
123.11670	9.9
125.09589	5.5
127.03898	8.5
129.06973	16.2
131.08560	38.0
133.10100	21.8
135.08040	8.6
135.11674	29.5
137.09554	4.7
141.06960	6.1
143.08522	7.9
145.06422	5.3
145.10112	25.7
147.08009	7.7
147.11658	16.7
149.13284	20.8
157.10129	10.3
159.11705	20.2
161.13226	16.2
163.14772	8.7
169.10170	6.4
171.11635	7.6
173.13249	18.6
174.65414	3.8
177.16275	4.1
183.11617	4.2
185.13129	6.5
187.14746	7.7
201.16380	4.9
243.21091	12.1
261.22119	46.8
279.23373	6.0
285.22046	6.6
301.21643	6.4
315.52441	5.0
333.99402	4.4
335.25745	6.7
345.24149	14.7
353.27026	14.6
369.24142	9.4
405.26263	5.7
419.27798	6.1
461.29077	5.6
479.29791	6.8
497.31113	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70661	4.8
53.03930	8.0
55.05503	22.1
57.03436	12.7
67.05506	86.4
69.07067	28.6
69.56186	7.9
69.56586	33.8
77.26785	4.7
77.47153	5.2
79.05487	58.4
80.84395	4.2
81.03400	12.3
81.07054	100.0
83.08616	11.3
85.02909	15.5
85.06548	5.3
91.05473	38.5
91.17642	4.4
93.07037	60.6
95.04953	7.7
95.08601	67.4
97.02892	9.1
97.06511	4.9
97.10178	6.5
98.20838	10.2
99.04462	5.7
105.07024	26.6
107.04901	5.2
107.08593	37.3
109.06512	7.0
109.10144	33.1
117.07015	14.8
119.08603	22.1
121.10139	28.1
123.11703	11.5
129.06972	6.3
131.08575	23.8
133.10161	13.7
135.08107	8.5
135.11758	24.7
137.13278	6.5
139.11107	7.6
145.10100	16.0
147.11673	15.9
149.13231	10.7
157.10139	8.6
159.11699	20.4
161.13261	13.4
163.14854	8.2
171.11670	8.7
173.13264	21.9
175.11171	7.4
187.14873	12.8
201.16516	6.9
211.14638	5.9
243.21181	10.7
261.22125	45.1
279.23334	5.8
303.23444	6.7
335.26038	11.3
345.24402	5.8
353.26700	15.4
503.56305	5.9
515.26282	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.05508	24.6
57.03426	11.0
57.07064	3.5
61.02909	7.1
65.03913	3.5
67.05498	94.4
69.03428	9.0
69.07072	21.6
69.33660	26.4
71.01316	3.0
71.04991	6.1
73.02883	3.2
73.89664	2.5
77.03925	2.8
79.05491	59.5
81.03423	4.9
81.07050	100.0
81.07526	5.0
83.04978	5.0
83.08608	11.9
85.02906	13.7
91.03937	5.2
91.05474	37.2
93.07040	62.1
95.04987	16.0
95.08598	81.3
97.02882	11.2
97.06528	7.2
97.10139	5.4
99.08073	5.6
103.03939	3.3
104.49531	2.4
105.07028	32.8
107.04954	3.1
107.08595	30.4
109.06510	7.8
109.10153	34.1
117.07014	12.5
119.08570	28.2
120.60287	2.7
121.10139	33.1
123.08097	5.9
123.11710	17.8
125.09624	3.1
127.03909	2.9
129.07019	5.4
131.08562	25.0
133.10103	22.4
135.08058	4.2
135.11676	26.3
137.13260	5.9
139.11205	2.8
140.66930	2.5
143.08562	7.8
145.10114	18.5
147.11668	15.0
149.13246	18.9
157.10109	6.9
159.11703	21.0
161.09514	3.1
161.13235	8.4
163.11153	4.7
163.14819	14.1
165.12798	4.6
169.10068	3.6
171.11638	8.2
171.78726	2.8
173.13223	18.6
175.11229	3.6
175.14769	3.7
177.16432	4.9
183.11684	4.3
185.13286	3.1
187.14815	10.3
199.14809	6.0
243.21048	19.5
260.80453	3.5
261.22089	56.5
279.23178	3.0
285.21979	4.2
301.21503	4.2
303.23267	7.5
323.98059	2.7
335.25583	21.1
345.24194	5.7
353.27127	13.8
369.24591	4.1
377.26370	3.5
387.25006	3.8
419.27731	4.2
451.95508	3.5
497.31000	5.9
515.37299	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.6
57.03420	9.5
61.02915	16.0
64.53111	3.4
67.05500	30.0
69.03418	5.5
69.07058	10.7
69.55802	16.7
69.56224	15.2
73.02903	5.0
79.05487	30.0
81.03409	4.8
81.07058	38.7
85.02895	10.6
91.03943	9.5
91.05069	3.6
91.05487	35.1
93.07040	47.6
95.08588	16.5
97.02890	7.9
105.07041	35.6
107.08581	34.2
109.10139	5.1
116.19471	4.0
117.07001	10.7
119.08561	37.4
121.06529	4.5
121.10130	22.6
129.06993	9.6
131.08551	17.0
133.10085	23.9
135.11687	30.9
143.08507	7.1
145.10110	22.3
147.11658	31.7
149.13235	16.1
157.10190	8.4
159.11690	17.2
161.13254	17.2
163.14868	5.8
171.11658	5.5
173.13263	12.8
175.14833	11.9
185.13239	9.5
199.14751	6.2
241.19508	19.7
259.20590	57.2
267.15924	5.4
268.19092	4.2
277.21582	7.8
289.21548	4.9
333.24289	9.8
349.23569	6.9
351.25296	100.0
361.24271	4.1
367.22418	5.8
369.75049	4.0
459.27356	4.8
477.28812	5.2
482.38092	4.1
511.97177	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	515.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.7
55.45334	2.7
57.03431	4.8
59.69268	3.1
65.03952	3.2
67.05489	5.6
69.03413	9.6
70.06584	22.6
72.08147	3.1
79.05500	3.3
81.07050	6.7
81.55582	2.6
83.04970	10.7
85.02909	15.1
86.09708	24.6
87.10095	4.2
91.05488	14.7
93.07040	16.9
95.01331	3.5
95.04966	3.0
95.08604	6.9
97.02890	5.9
99.04449	3.0
105.07034	11.1
107.08607	17.2
109.02891	6.4
109.06535	7.7
113.05894	3.2
117.06996	5.2
119.08560	10.3
121.06500	22.7
123.08054	3.5
129.06924	3.1
131.08589	7.7
132.48659	3.1
133.10130	6.7
135.08051	37.4
137.05940	4.3
137.09610	3.2
141.01805	7.0
143.08563	5.7
145.06479	3.9
145.10112	6.6
147.04433	4.1
147.08031	3.5
149.06018	3.3
149.09625	11.9
151.03957	3.2
155.08582	3.3
159.02846	2.7
159.08051	6.4
159.11667	16.1
161.09589	5.2
163.07529	12.4
164.10757	3.1
172.08829	5.6
173.09637	13.0
173.13306	20.5
181.06599	2.6
183.11667	3.9
183.14978	4.1
186.08907	2.7
186.10356	14.0
187.11174	44.7
191.07037	54.2
199.18036	4.0
201.12730	34.8
205.12279	10.5
207.06490	4.9
211.11122	3.8
215.05534	4.5
219.13757	16.9
229.12247	59.6
229.37265	3.5
247.13290	100.0
249.14581	7.5
264.11307	2.7
267.15698	12.8
303.15878	4.7
321.16974	49.7
323.12473	4.1
324.12744	4.5
411.19925	8.4
429.21149	14.6
453.20905	14.5
471.21967	39.3
497.19833	33.4
515.13879	3.7
515.21112	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03928	2.3
53.68697	2.6
55.01866	2.8
55.05501	11.4
57.03426	11.8
57.07074	3.5
61.02926	19.7
61.17677	2.0
67.05499	32.7
68.76125	2.0
69.03419	4.8
69.07070	14.1
73.02901	5.6
79.05489	36.1
79.07195	2.1
81.03400	4.4
81.07054	41.0
83.04937	3.0
83.08600	6.8
85.02886	16.1
85.06542	2.9
88.72365	2.5
91.03932	7.2
91.05482	29.0
93.07034	47.1
94.88310	2.5
95.04957	5.2
95.06165	2.4
95.08594	27.5
97.02879	10.0
97.06562	3.9
97.10127	3.0
98.20763	7.4
99.08084	2.6
105.07023	36.3
107.08584	30.2
109.06499	5.4
109.10185	12.3
117.07030	8.9
119.08572	29.7
121.10138	27.6
123.11700	3.8
127.43534	2.5
129.05493	3.4
129.06987	8.7
131.08553	14.7
133.10121	22.2
135.11708	26.6
137.09662	2.9
143.08531	7.1
145.10124	17.9
147.08006	2.9
147.11681	30.0
149.09616	2.6
149.13219	14.0
155.08537	2.6
157.10123	9.7
159.11662	16.6
161.13243	25.3
163.14813	4.7
165.12775	2.6
169.10208	3.3
171.11639	9.7
173.13255	10.6
175.14839	12.1
179.14294	3.3
185.13216	9.4
187.14821	3.9
199.14793	9.9
201.16492	2.7
213.16324	4.0
215.18150	2.5
229.63698	2.6
231.21095	5.7
241.19513	18.8
259.20554	52.6
271.20605	2.6
277.21713	12.0
280.27136	2.4
293.05936	2.5
313.21524	2.8
333.24149	9.9
349.23532	4.4
351.25278	100.0
352.25555	2.9
371.43872	2.8
441.26437	3.0
477.28470	4.1
495.29602	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.8
55.05510	16.9
57.03430	11.2
61.02934	3.9
67.05503	51.0
69.03441	3.6
69.06741	3.9
69.07066	22.1
70.06599	3.6
70.83307	8.8
71.04971	4.9
79.05492	27.0
81.07054	100.0
83.04991	6.0
83.08624	10.2
85.02894	4.3
85.06540	8.4
87.04527	2.6
88.07630	3.0
91.05476	36.5
93.07052	19.4
95.05008	4.3
95.08602	27.0
97.06533	7.8
99.08083	5.1
105.07023	40.5
107.08594	19.6
109.06535	8.9
109.10163	10.3
111.08089	3.8
117.07035	4.4
119.08581	34.1
121.10133	22.1
123.08076	5.5
123.11694	31.0
127.07497	3.0
129.05478	4.9
133.10139	6.0
135.11781	3.4
137.13249	3.0
143.08621	2.7
147.11682	68.7
157.10168	3.6
159.11697	3.1
165.12770	30.9
173.11754	4.0
183.13844	4.9
229.14392	7.6
267.15912	71.0
267.18634	5.4
285.16937	76.0
456.84967	2.6
460.05164	2.6
477.28189	8.0
495.29312	27.8
512.50616	2.9
513.36310	4.3
513.50446	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31225	3.5
55.01860	9.5
55.05511	20.9
57.03432	20.7
61.02919	23.4
67.05166	7.3
67.05499	68.8
69.03419	16.5
69.07063	20.6
70.90454	3.5
71.05011	5.1
71.58244	7.1
73.02911	10.3
79.05486	64.4
81.03411	16.2
81.07049	65.9
83.04971	10.0
83.08617	11.8
85.02901	28.9
86.91351	3.8
90.02277	3.6
91.03950	11.5
91.05474	62.4
93.07033	62.1
95.04954	7.6
95.08607	37.5
97.02909	20.3
97.06506	8.0
97.10182	7.3
99.04448	4.1
105.07024	67.0
107.04953	4.5
107.08574	43.1
109.06556	4.6
109.10149	34.8
111.04476	4.6
111.08058	5.2
117.06974	18.4
119.08573	53.6
121.10146	25.5
123.08047	5.1
123.11760	4.9
124.93230	3.5
127.03854	7.0
128.06244	5.6
129.05464	11.6
129.07024	13.6
131.08549	35.0
133.10107	53.2
135.11685	31.8
141.06898	4.8
143.08560	12.6
145.10080	38.5
146.85982	3.9
147.08086	4.9
147.11691	41.5
149.13226	19.1
155.08516	6.8
157.10132	19.0
159.11650	33.3
161.13257	30.5
169.10159	7.9
169.55431	4.6
171.11647	16.0
173.11852	5.6
173.13242	24.6
175.11223	6.5
175.14853	15.3
185.13219	11.9
187.14777	8.5
189.12619	4.7
197.13213	7.1
199.14819	11.8
201.16415	4.3
212.42203	3.8
213.16415	4.6
229.14322	4.7
231.21123	6.3
241.19455	24.7
250.63454	4.8
259.20563	58.8
265.15536	4.8
271.20758	7.1
275.20102	5.7
277.21555	14.4
289.21548	4.8
301.21591	6.9
313.21756	4.7
349.23859	5.9
351.25275	100.0
363.24963	7.0
367.22699	10.5
385.23526	11.8
403.24680	14.4
421.26050	21.4
442.51959	4.2
459.27350	7.0
477.28009	5.7
495.29691	7.5
503.14011	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93621	4.0
53.03933	4.8
54.27124	3.9
55.05509	11.9
57.03431	10.3
59.05032	5.1
61.02912	12.0
67.05502	45.3
69.03433	6.3
69.07074	13.9
69.43208	30.8
71.04974	4.7
73.02921	9.7
79.05493	41.0
80.86940	4.2
81.03419	7.2
81.07049	47.6
83.04967	4.7
83.08623	7.1
85.02905	21.5
91.03963	5.1
91.05479	35.3
93.07034	64.7
95.04977	10.1
95.08601	33.4
97.02908	14.8
97.06527	5.8
97.10173	6.1
99.08092	5.6
105.07027	36.4
107.08595	35.5
109.02850	3.9
109.06505	4.8
109.10151	20.8
111.98387	4.0
117.07014	10.3
119.08558	41.2
121.10153	31.2
123.08051	5.0
125.09571	4.5
129.06993	8.4
131.08565	15.6
133.10136	34.3
135.11694	34.9
143.08575	6.2
145.10057	20.4
147.11693	26.5
149.09532	4.7
149.13252	18.2
157.10059	6.1
159.11745	19.8
161.13290	18.1
171.11630	8.5
173.13242	10.1
175.14783	11.2
176.41000	4.3
177.12715	5.3
185.13321	8.0
199.79971	4.1
213.16383	5.3
229.14400	6.9
241.19507	20.7
259.20541	58.6
260.35861	3.9
277.21616	7.9
333.24139	8.7
351.25308	100.0
438.78363	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.4
55.01873	6.6
55.05518	20.5
56.96567	5.5
57.03432	7.2
59.37547	4.1
61.02935	22.8
65.87058	3.3
67.05505	43.7
69.03434	10.6
69.07069	17.0
70.06593	5.5
71.04977	6.3
71.56186	3.7
71.56926	4.2
71.57333	5.1
73.02904	9.5
79.05492	51.0
81.03410	10.0
81.07055	48.8
83.08646	11.3
85.02895	20.4
85.06557	5.2
89.04738	3.9
91.03968	7.8
91.05476	41.5
93.07050	46.9
95.04959	7.9
95.08601	32.4
97.02896	14.1
98.21445	4.2
99.08140	4.7
105.07040	34.4
107.08601	34.9
109.02859	6.1
109.06521	6.1
109.10159	17.7
111.08081	7.0
117.06996	7.3
119.08585	33.6
121.10126	22.6
123.11738	5.6
123.83251	4.0
129.07034	10.1
131.08568	18.5
133.10161	33.1
133.78494	3.9
135.11708	22.6
137.06099	5.3
137.86533	4.4
143.08546	6.6
145.10114	22.6
147.11693	25.6
148.86978	3.9
149.13271	18.0
157.10161	9.6
159.11642	24.9
161.13239	19.4
163.11249	4.4
163.14822	4.9
167.07082	6.8
171.11633	8.1
173.13255	11.8
175.14861	9.6
185.13293	6.8
188.13496	4.2
241.19501	28.6
259.20572	60.4
277.21597	6.8
333.24362	7.4
351.25256	100.0
367.22678	7.3
385.23349	5.5
441.26514	6.2
495.29117	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.1
57.03434	13.3
57.07051	7.7
58.92838	7.1
61.02924	16.6
65.88415	7.7
67.05502	70.3
69.03419	18.5
69.07061	18.9
71.04995	14.8
71.09414	18.0
73.02925	13.1
78.90376	8.2
79.05473	44.1
81.03444	17.0
81.07066	68.7
83.08603	14.0
85.02908	19.2
87.25185	8.1
90.72752	7.6
91.03941	11.7
91.05465	50.3
93.07027	63.2
95.04937	17.4
95.08609	40.8
95.32082	7.3
97.02863	23.4
97.06483	8.4
99.04469	7.9
105.07042	67.6
107.04940	8.7
107.08578	31.5
109.10131	25.1
117.07019	13.6
119.08578	53.1
121.10131	26.7
127.03902	8.4
129.05489	11.9
129.07001	11.2
131.08560	33.4
133.10138	38.9
135.11673	31.5
143.08571	15.0
145.10103	29.4
147.11691	38.7
149.13240	18.5
157.10138	22.4
159.11716	22.1
161.13255	32.9
163.14743	10.4
171.11638	22.1
173.13263	10.4
175.14847	11.6
185.13220	9.9
208.27107	8.2
241.19453	21.9
259.20541	46.4
277.21738	9.3
351.25272	100.0
436.76483	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34026	1.4
53.03933	4.2
55.01865	10.8
55.05505	16.7
57.03431	4.2
57.07093	2.1
59.04976	2.4
61.02913	1.5
65.03927	3.1
65.75275	1.6
67.05503	52.6
69.03413	3.5
69.07057	16.3
70.76891	1.4
71.04980	3.7
71.31911	3.0
73.02907	2.5
79.05489	44.3
81.03412	4.3
81.07053	100.0
83.04972	24.5
83.08614	10.8
85.02891	3.5
85.06547	8.8
91.05476	36.7
93.06475	2.7
93.07035	38.5
95.04967	12.0
95.08599	25.7
96.28919	1.3
97.02853	1.7
97.06527	11.3
99.04443	5.3
99.08073	5.5
103.05478	1.4
105.07029	38.0
107.04961	14.2
107.08587	26.4
109.06512	6.8
109.10144	7.7
111.04433	34.6
111.08075	9.6
113.06031	2.0
117.07030	10.1
119.08574	34.8
121.06499	3.3
121.10139	36.2
123.04417	1.6
123.08051	3.1
123.11708	27.6
125.05991	2.5
127.03880	1.7
127.07531	2.5
129.05441	1.9
129.06990	2.5
130.07742	1.9
131.04961	1.6
131.08568	9.9
133.10118	3.2
135.08054	3.0
135.11681	18.3
137.09535	1.4
137.13225	1.7
143.08522	2.3
145.06473	4.8
145.10104	23.6
147.11679	63.5
149.09566	4.2
151.11191	1.9
153.12715	14.3
155.08513	4.2
157.10095	1.8
159.11694	1.7
163.11174	33.1
165.12744	28.0
173.09622	11.8
181.12225	26.7
183.13745	2.6
191.10675	23.7
193.12169	2.0
209.11699	6.7
227.12755	20.9
229.14253	2.6
265.14383	12.0
267.15927	30.9
283.15363	17.8
285.17099	2.9
301.16425	1.6
349.23685	2.8
475.26984	5.4
493.27832	7.8
511.29047	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
53.09423	1.3
55.01869	17.3
55.05510	22.6
55.16908	1.5
57.03430	5.9
57.07052	1.9
58.28922	1.5
61.02914	3.9
65.03923	6.2
67.05500	59.0
69.03425	8.5
69.07058	22.7
70.06594	1.7
71.04978	7.4
71.57792	3.0
73.02895	3.2
79.05488	45.3
81.03408	12.1
81.07050	100.0
83.04977	27.3
83.08606	11.4
85.02904	9.4
85.06534	6.5
91.05473	40.9
93.07042	42.7
95.04962	14.4
95.07983	1.7
95.08599	34.1
97.02883	6.3
97.06528	15.1
97.10139	1.8
99.04445	5.2
99.08071	5.2
101.02380	2.7
103.05472	1.4
104.86573	1.4
105.04521	1.8
105.07027	45.7
107.04953	16.4
107.08588	32.5
109.06513	8.6
109.10144	9.7
111.04433	26.5
111.08073	10.2
115.05384	1.5
116.43522	1.3
117.06989	10.5
119.08573	41.9
120.74020	1.5
121.06531	4.6
121.10137	43.6
121.11025	2.4
123.04432	2.4
123.08063	6.2
123.11694	25.1
125.05959	3.2
125.09633	3.2
127.03911	3.1
127.07560	3.4
129.05490	3.0
129.06979	4.3
131.04918	2.3
131.08566	13.4
133.10150	7.4
135.08043	3.4
135.11679	21.4
143.08630	2.7
145.06447	4.9
145.10120	19.2
147.11679	63.4
149.09599	4.3
153.12704	14.2
155.08527	5.3
157.10141	2.3
159.11649	1.9
163.11160	28.9
165.12743	23.8
167.07008	1.6
173.09644	10.8
181.12222	21.4
183.13838	2.3
189.11266	1.6
191.10649	18.9
193.12245	2.0
209.11656	5.9
227.12756	17.9
229.14282	4.1
251.21007	1.5
263.83777	1.5
265.14334	13.4
267.13345	2.3
267.15903	25.5
275.20044	11.9
277.88187	1.7
283.15341	13.9
285.16876	3.4
285.81601	1.5
349.23782	6.9
475.26837	2.4
493.28134	7.8
511.28949	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18757	3.9
50.57302	3.8
52.11777	3.9
53.03937	14.1
55.01867	16.3
55.05505	38.9
57.03434	35.3
57.07064	4.5
59.04990	4.7
59.44989	4.1
61.02914	21.3
65.03946	5.4
67.05497	85.8
69.03431	49.2
69.07065	44.1
71.01358	4.5
71.04990	16.5
72.08155	6.0
73.02917	11.6
79.05496	85.4
81.03412	62.7
81.07053	79.4
82.70638	4.4
82.84959	4.5
83.04968	19.3
83.08618	22.3
85.02898	43.3
86.06030	4.2
88.08633	4.2
91.03949	11.8
91.05473	71.8
93.07043	74.6
95.04961	20.8
95.08612	56.9
97.02895	41.0
97.06529	18.8
97.10143	30.3
98.20714	8.8
99.04452	11.8
101.02370	11.8
103.03948	5.3
103.05441	6.2
105.07023	70.6
107.04945	19.3
107.08595	59.0
109.02874	17.7
109.06520	16.1
109.10158	36.6
110.97572	4.5
111.04427	9.2
111.08070	5.6
116.98605	7.6
117.06973	28.3
119.08577	54.6
121.06448	5.2
121.10130	25.9
123.08054	7.4
123.11710	12.7
125.09632	22.8
127.03918	23.9
129.05481	7.4
129.06996	13.6
131.08543	38.7
133.10121	42.8
135.08018	10.2
135.11674	14.0
137.05948	9.4
137.09598	6.0
143.08574	8.7
143.10579	5.5
145.06416	7.2
145.10117	33.3
147.11690	35.8
149.09633	13.6
149.13251	14.2
155.08594	4.8
157.10114	13.9
159.11729	25.3
161.13211	8.1
163.11165	14.9
163.14709	6.4
169.10080	4.8
170.99591	6.4
171.11678	13.2
173.04396	5.8
173.09544	6.7
173.11880	6.0
173.13242	18.6
175.14723	5.4
177.12886	8.5
179.14313	4.8
183.11754	6.8
185.13222	6.1
187.11110	6.7
189.11255	28.7
190.36691	4.0
193.12250	6.1
195.13820	5.7
199.14691	5.2
201.12793	6.3
209.11626	11.1
221.05107	5.2
227.12784	14.7
229.14337	6.9
229.19504	6.2
239.18056	6.2
245.05087	7.2
247.20541	5.3
249.02776	7.5
250.03485	4.4
257.19046	18.8
275.20050	100.0
275.22812	8.3
299.19696	7.1
331.23160	5.2
349.23691	59.4
451.07724	23.1
493.28119	8.2
511.28799	21.2
514.95563	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	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
55.01863	16.2
55.05507	18.8
57.03430	9.4
61.00779	5.4
67.05189	5.5
67.05498	30.3
69.03417	19.8
69.07074	28.0
71.04993	8.7
71.24245	13.1
79.05490	19.7
81.03410	16.5
81.07066	62.0
83.04970	6.0
83.08621	13.2
85.02897	37.7
85.06539	5.8
87.00828	5.0
91.05482	31.7
93.07042	21.9
95.04971	9.7
95.08611	21.6
97.02886	15.8
97.06509	5.2
99.04453	11.0
105.01853	5.3
105.07034	41.7
107.04964	8.7
107.08592	21.8
109.02880	9.4
109.06498	8.6
109.10137	7.0
115.05437	6.8
117.07022	12.1
118.06545	10.8
119.08589	22.1
121.06510	5.1
121.10139	20.3
122.09710	6.3
123.08060	9.8
123.11698	19.4
126.25893	5.1
127.03922	20.8
129.07039	7.9
131.08548	11.2
133.06514	6.7
133.10141	11.0
135.08095	5.5
145.04971	7.4
145.06461	6.5
145.10222	8.5
146.06004	9.1
147.08133	5.3
147.11694	49.5
149.02353	6.0
150.09114	26.1
151.03821	6.1
157.10132	12.5
159.11711	7.8
161.06020	8.0
165.12787	20.5
173.13283	8.3
175.03880	6.6
177.05539	5.6
183.13818	38.9
188.07185	6.4
201.14761	26.5
221.04500	12.9
230.15456	8.6
231.15660	6.4
241.12161	8.9
267.15988	35.4
269.11990	5.4
285.16962	77.7
287.12909	9.6
305.13528	8.6
315.12250	17.8
322.19916	6.3
323.20163	11.6
333.13333	100.0
351.14484	17.7
361.13763	11.3
407.16983	15.8
425.18054	89.3
443.19513	7.1
457.20428	8.6
492.26385	6.3
511.11819	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	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.4
57.03441	6.1
57.07072	86.0
67.05495	27.9
69.03423	15.3
69.07051	19.7
69.23480	22.4
69.23904	58.2
71.08629	67.3
76.16961	6.6
81.03431	9.9
81.07050	48.2
83.08611	27.6
84.73208	5.2
85.02896	29.3
85.10188	31.8
93.07027	7.2
95.08604	58.1
97.02879	21.7
97.10167	14.7
98.20767	10.4
98.87035	5.4
102.42175	5.3
107.56332	5.4
109.02850	7.3
109.10148	29.3
122.96283	6.9
122.97250	6.8
123.11696	7.4
125.13289	6.7
127.03960	31.0
137.13164	6.3
139.14703	6.3
145.04997	19.6
197.13020	6.8
239.23689	100.0
243.74411	6.7
313.27328	41.4
369.31311	5.9
383.27869	55.1
401.28949	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
55.01863	16.2
55.05507	18.8
57.03430	9.4
61.00779	5.4
67.05189	5.5
67.05498	30.3
69.03417	19.8
69.07074	28.0
71.04993	8.7
71.24245	13.1
79.05490	19.7
81.03410	16.5
81.07066	62.0
83.04970	6.0
83.08621	13.2
85.02897	37.7
85.06539	5.8
87.00828	5.0
91.05482	31.7
93.07042	21.9
95.04971	9.7
95.08611	21.6
97.02886	15.8
97.06509	5.2
99.04453	11.0
105.01853	5.3
105.07034	41.7
107.04964	8.7
107.08592	21.8
109.02880	9.4
109.06498	8.6
109.10137	7.0
115.05437	6.8
117.07022	12.1
118.06545	10.8
119.08589	22.1
121.06510	5.1
121.10139	20.3
122.09710	6.3
123.08060	9.8
123.11698	19.4
126.25893	5.1
127.03922	20.8
129.07039	7.9
131.08548	11.2
133.06514	6.7
133.10141	11.0
135.08095	5.5
145.04971	7.4
145.06461	6.5
145.10222	8.5
146.06004	9.1
147.08133	5.3
147.11694	49.5
149.02353	6.0
150.09114	26.1
151.03821	6.1
157.10132	12.5
159.11711	7.8
161.06020	8.0
165.12787	20.5
173.13283	8.3
175.03880	6.6
177.05539	5.6
183.13818	38.9
188.07185	6.4
201.14761	26.5
221.04500	12.9
230.15456	8.6
231.15660	6.4
241.12161	8.9
267.15988	35.4
269.11990	5.4
285.16962	77.7
287.12909	9.6
305.13528	8.6
315.12250	17.8
322.19916	6.3
323.20163	11.6
333.13333	100.0
351.14484	17.7
361.13763	11.3
407.16983	15.8
425.18054	89.3
443.19513	7.1
457.20428	8.6
492.26385	6.3
511.11819	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	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	43.7
57.03438	19.9
59.78094	14.2
67.05493	62.6
69.03417	17.2
69.07090	35.8
69.93864	56.4
69.94283	31.4
70.06596	20.1
70.61841	14.4
79.05492	56.9
81.03407	34.4
81.07063	100.0
83.08642	32.8
85.02884	25.6
91.05479	44.9
92.60710	15.5
93.07041	64.2
95.04951	26.0
95.08617	69.0
97.02885	21.1
97.10166	18.7
98.20824	24.9
100.11229	21.6
105.07048	60.1
107.04971	22.8
107.08604	46.1
109.10165	43.6
111.04457	17.2
119.08592	31.4
121.10111	25.8
123.11710	21.2
125.09611	19.4
131.08630	31.1
133.10109	36.5
135.11679	19.6
136.12096	15.3
137.06030	16.1
139.65396	16.9
143.08524	21.5
145.10072	29.3
147.11674	21.5
159.11746	16.9
168.13741	18.2
182.15459	15.6
221.83302	17.3
289.05142	16.1
368.62915	16.2
430.48285	16.0
430.65399	14.8
452.88956	16.7
491.13098	15.8
509.22733	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01863	7.4
65.03927	4.2
69.03445	2.9
69.07057	5.1
70.06573	4.1
78.04692	3.7
79.05490	5.1
81.07071	3.6
84.08154	3.1
85.02915	5.8
86.09701	38.1
87.05600	3.7
91.05474	52.3
93.03413	7.0
93.07042	7.1
95.04961	6.6
97.06506	3.6
98.04427	2.6
99.95570	2.3
103.05460	11.3
105.03397	5.0
105.07008	9.1
106.04158	27.0
107.04939	10.1
109.04008	3.5
109.06502	7.6
117.03336	2.3
118.45573	2.5
118.66122	2.2
119.04933	45.5
119.08549	2.5
121.06483	28.9
123.04388	4.4
123.08088	5.4
124.05103	7.3
125.05954	7.2
127.70132	2.5
131.04901	9.5
132.05733	3.7
133.06445	4.8
134.03642	4.1
136.05171	3.0
137.05971	7.8
144.05661	2.8
145.06487	3.7
147.04436	12.2
147.08054	4.0
148.05128	3.2
149.05949	34.2
151.07523	20.7
152.04491	12.9
153.09055	12.8
159.08061	6.6
161.05989	30.9
162.06718	5.9
163.07539	5.6
165.05441	6.0
167.07034	47.5
175.07573	11.4
177.05441	22.4
179.05579	6.7
179.07040	20.4
180.07809	5.8
181.08595	25.5
182.09306	3.2
187.07513	18.4
190.06277	4.9
191.06987	19.3
192.07780	7.9
205.08583	48.4
209.08069	100.0
210.08684	3.0
221.06706	3.6
223.04227	9.6
229.42801	3.1
235.09663	13.4
238.09370	6.1
247.11807	2.7
249.13464	3.3
266.08862	10.2
288.47983	2.8
291.14600	6.2
319.13953	4.2
334.15051	4.8
336.16678	4.0
339.12186	4.7
341.13892	3.5
351.17746	8.4
371.14713	4.6
379.17148	7.9
466.17432	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	509.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.01854	6.7
55.05510	25.2
57.03453	4.8
57.07072	7.7
57.89335	2.8
61.02921	7.5
67.05508	45.3
68.99774	6.1
69.03429	45.7
69.06793	2.8
69.07072	31.8
69.61093	21.0
69.61526	4.5
71.04985	5.9
71.08625	4.9
73.02898	5.0
79.05489	37.6
79.11377	2.9
81.03405	29.5
81.07055	91.4
83.04959	9.6
83.08613	25.3
85.02903	44.2
87.00847	15.8
91.05474	31.3
93.07042	52.0
95.04983	17.0
95.08604	91.7
97.02903	10.7
97.06543	6.9
97.10169	13.7
99.04457	9.9
101.02379	3.3
103.03902	3.1
105.01895	4.0
105.07024	30.9
107.04956	7.1
107.08590	52.0
109.02887	13.1
109.06496	5.7
109.10149	71.2
111.04444	22.3
111.08069	7.2
111.11690	7.7
114.36611	2.8
115.03933	4.5
117.07026	10.7
117.08498	2.8
118.37097	3.2
119.08577	31.5
121.06464	3.6
121.10123	30.1
123.04418	4.7
123.08097	7.2
123.11710	27.6
125.05936	3.5
125.09608	5.0
127.03938	13.1
129.01816	3.3
129.06992	5.1
131.08554	14.2
133.10104	16.7
135.08002	4.7
135.11682	33.2
137.05998	5.3
137.09605	4.3
137.13264	12.7
139.11139	3.2
143.08556	5.5
145.04884	3.7
145.06508	3.7
145.10114	17.5
147.02902	3.7
147.08043	6.6
147.11690	15.3
149.09590	3.8
149.13251	24.4
151.11153	3.8
151.14767	3.3
157.10098	9.8
159.02928	5.7
159.08055	3.1
159.11707	10.0
161.09615	6.0
161.13278	8.8
163.11188	5.5
163.14838	9.9
165.09114	3.9
165.12758	3.2
167.07072	3.3
173.09653	4.1
173.13281	6.8
175.11192	3.1
175.14841	9.7
177.16368	4.5
183.11794	4.1
185.13333	4.0
187.14952	3.5
189.16463	4.5
191.10619	3.0
191.17960	5.0
193.66972	2.8
199.14835	4.2
200.04686	7.9
203.17963	3.2
213.16357	3.2
223.74548	3.1
225.04227	2.8
228.04234	3.3
231.04948	3.2
243.04710	3.5
245.06343	5.7
259.16751	2.7
266.47186	3.1
271.06039	6.2
287.03674	15.8
289.05289	100.0
299.05478	4.5
319.26260	7.1
325.07083	3.6
339.60416	3.1
351.26849	6.7
369.27847	13.1
382.51718	3.0
387.29126	15.9
459.10599	6.0
465.24463	9.4
473.28931	9.3
480.65845	2.9
491.22931	5.2
491.30151	8.4
509.23669	48.7
509.30948	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78595	0.7
53.03948	0.7
55.01868	0.9
55.05485	2.5
57.03423	1.1
61.02930	0.8
67.05500	4.0
69.03413	1.3
69.07040	2.9
71.04964	3.1
71.57092	1.3
79.05470	4.0
81.03393	2.7
81.06660	0.8
81.07055	8.2
83.04976	0.9
83.08597	1.5
85.02882	2.0
91.05463	2.6
93.07043	3.4
95.04932	1.6
95.08594	4.8
97.02873	1.1
97.06519	1.4
105.06998	3.3
107.04930	0.8
107.08563	1.9
109.02838	0.9
109.06570	0.8
109.10135	2.5
111.08059	0.8
117.07002	0.9
119.01910	1.5
119.08556	3.3
121.10114	1.9
123.04479	0.8
123.11683	1.2
127.03854	1.0
131.08546	1.5
133.10092	2.1
135.11642	1.8
137.05951	0.8
143.01878	0.8
143.08566	1.2
145.10132	1.1
147.04422	0.8
147.11636	1.4
149.09566	0.7
159.11670	1.3
161.02975	1.6
163.11168	1.8
167.03404	1.0
167.07082	0.7
173.13268	0.7
175.04536	1.2
177.83562	0.7
189.11208	0.8
189.16324	1.7
203.05219	1.1
227.12827	1.5
245.06323	6.9
267.16031	0.9
271.04108	0.9
279.61606	0.8
287.03738	10.5
289.05289	100.0
290.05743	1.1
465.24481	6.2
509.23547	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	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.1
55.01850	19.8
55.05515	31.5
56.57954	5.5
57.03427	19.5
57.07039	7.5
61.02920	12.8
67.05501	54.4
68.99796	7.7
69.03423	57.2
69.07053	21.9
70.82686	20.7
71.01380	7.8
71.04983	18.5
73.02916	13.8
79.05482	44.5
79.21134	5.6
81.03405	71.7
81.07052	64.3
83.04984	19.2
83.08605	11.6
85.02906	100.0
85.06487	9.2
87.00820	37.7
91.03992	8.8
91.05481	56.5
93.07039	62.2
95.04981	30.7
95.08618	51.4
97.02901	47.9
97.06552	7.1
97.10175	9.0
99.04444	22.1
103.03925	10.1
103.05461	6.6
105.01250	7.0
105.01875	28.5
105.07013	54.8
107.04964	10.8
107.08591	47.6
109.02897	36.3
109.06538	13.3
109.10154	35.8
111.04412	9.0
115.05460	12.9
117.07012	28.3
118.06566	55.8
119.08590	47.5
120.08102	8.3
121.06512	12.3
121.10142	40.4
123.11707	15.0
125.09653	7.6
127.03902	77.3
129.06993	17.7
131.04826	7.4
131.08562	42.9
133.06497	7.7
133.10123	39.9
135.11688	26.5
137.05972	14.6
143.08522	16.2
144.08043	15.5
145.04932	23.8
145.10121	60.4
146.06003	74.0
147.11639	29.1
149.09627	8.6
157.10057	15.0
159.02917	29.3
159.08032	11.3
159.11707	36.9
161.09595	9.2
161.13232	14.8
163.07458	6.1
163.11166	14.9
165.09164	6.3
169.10190	7.1
171.11650	17.0
172.12497	6.9
173.09613	10.6
173.13191	41.4
175.14835	20.8
185.13286	11.9
187.14853	16.8
188.07066	49.8
189.12816	8.1
199.14755	6.8
201.16348	12.9
209.11726	7.4
227.12619	13.0
230.15398	54.7
231.04942	17.0
243.21133	35.0
245.27934	5.9
261.22122	16.8
265.14401	6.2
273.18494	14.9
304.19012	8.1
322.20090	74.7
347.22037	9.5
451.56870	6.7
491.25433	15.2
509.20267	9.8
509.26758	33.9
509.33591	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	509.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36537	4.2
55.05510	22.1
67.05505	37.8
69.07056	19.8
69.78796	30.8
76.15469	4.3
79.05463	14.7
81.07058	38.7
83.08610	12.5
86.34627	4.1
91.05482	9.0
93.07037	14.3
95.08612	25.9
97.10162	10.6
98.98459	65.9
104.10727	29.3
105.07068	9.3
107.08556	7.6
109.10133	11.4
121.10192	5.8
150.60765	5.5
155.01039	6.6
173.02168	8.4
184.07347	5.8
277.36203	4.9
311.25769	8.5
331.47922	4.3
337.27374	100.0
395.64490	4.5
435.32315	6.1
482.67120	5.1
509.36948	6.1
522.04431	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	509.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05491	1.9
67.05505	7.7
69.03423	6.1
69.07037	3.4
69.52502	1.1
69.52802	9.7
70.38706	1.1
75.28112	1.1
79.05486	5.6
81.03378	4.4
81.07063	9.6
83.04935	1.5
83.08596	2.4
85.02863	4.3
85.06494	2.7
87.00787	1.9
91.05463	6.7
93.07032	7.7
95.04926	4.5
95.08602	7.5
97.02845	4.3
97.06517	1.9
97.10110	1.9
105.07033	6.2
105.07581	1.2
107.04889	2.8
107.08579	7.0
109.02827	2.6
109.06451	1.6
109.10103	5.1
119.01868	1.3
119.04856	1.8
119.08545	4.2
121.10072	4.0
123.04459	1.9
123.11678	2.1
125.09624	1.5
127.03852	3.8
131.08495	2.4
133.10069	2.3
135.11589	3.8
137.05891	2.7
143.08565	1.3
145.04971	1.6
145.06543	1.9
145.10048	4.0
147.04408	1.9
147.07961	1.2
147.11613	2.9
149.09468	1.4
149.13162	1.2
150.58253	1.1
151.03835	4.8
153.01755	4.4
159.11658	2.1
163.00671	1.4
163.11110	1.9
165.05496	1.7
166.06267	1.3
167.06967	2.9
167.26555	1.2
171.11700	1.5
173.13225	1.5
177.05415	2.1
180.07658	1.3
203.03331	4.2
203.05147	2.7
227.12561	1.5
229.04768	3.7
239.03477	1.4
240.72424	1.4
241.04817	3.1
242.05684	6.8
243.04744	10.6
245.06314	9.0
257.01837	2.3
257.04440	36.1
258.04956	5.1
261.18256	7.2
269.04175	2.4
270.05090	3.6
271.05948	4.4
285.03839	4.3
286.04712	9.3
287.00381	2.2
287.03619	76.3
289.05283	100.0
297.03909	10.0
299.05316	3.5
313.03415	1.6
313.06970	3.2
325.06860	4.2
337.07227	1.3
405.05768	1.7
433.09140	1.7
447.23520	7.5
465.11887	9.6
465.24377	11.1
475.10040	1.8
479.13510	5.9
491.13098	19.8
491.22073	86.5
492.22540	1.6
509.10419	51.8
509.23068	36.8
510.10684	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	509.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43254	2.6
52.86451	2.4
54.61207	2.6
57.02726	3.0
69.49715	22.6
79.70320	3.3
97.77427	2.8
98.20744	3.9
98.97584	3.6
116.98623	2.9
131.27666	2.6
207.18939	2.6
245.05144	5.7
264.77249	2.8
273.73694	2.7
491.15118	5.9
508.59595	3.4
509.16370	100.0
526.00598	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	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33456	0.8
53.03924	1.0
55.01842	1.5
55.05484	2.5
57.03423	1.0
58.71117	0.6
61.02919	0.9
67.05503	4.8
69.03398	2.1
69.07037	2.7
71.04958	0.7
71.57210	1.2
79.05487	4.2
81.03387	1.6
81.07051	7.5
83.04958	1.0
83.08606	1.8
85.02906	3.8
85.06503	0.6
87.00795	1.0
91.05486	5.3
93.07040	5.0
93.32143	0.6
95.04943	2.3
95.08598	6.8
97.02859	1.9
97.06530	0.6
97.10136	0.9
105.07036	6.0
107.04935	1.3
107.08602	3.5
109.02846	1.1
109.06520	0.8
109.10144	4.5
109.29712	0.6
111.04405	1.8
111.08047	0.8
117.07006	2.1
119.08599	3.4
121.06466	0.9
121.10111	2.5
123.11678	1.0
127.03918	1.6
129.07004	1.7
131.04941	0.9
131.08568	3.0
132.05698	0.9
133.10098	2.2
135.11678	2.5
137.05949	1.0
137.13182	0.7
143.08553	0.9
145.10083	2.4
147.08034	0.8
147.11676	1.4
149.13293	1.2
155.08632	0.6
159.11711	1.3
161.05946	0.8
161.09676	0.9
163.11246	1.0
167.07059	1.5
177.05472	0.8
192.07738	1.4
200.04707	4.7
203.05222	2.4
227.05392	0.8
227.70168	0.7
228.04124	1.5
243.06786	0.8
245.06340	8.1
261.18356	0.8
271.06253	4.3
273.18515	2.7
287.03717	13.9
289.05289	100.0
299.05521	2.7
325.07050	1.3
347.22040	1.5
368.44437	0.8
387.28702	0.8
423.23517	1.2
459.10660	2.9
465.18637	0.6
465.24567	13.1
491.15491	0.8
491.22452	5.3
509.23538	53.6
510.23764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65057	1.1
69.77085	2.7
69.77507	6.0
78.15388	1.2
85.02928	1.2
88.11274	2.9
91.05508	1.5
93.06979	1.2
95.04971	1.4
96.37791	1.1
103.05447	7.7
107.04945	1.5
120.08104	100.0
131.04906	1.8
132.03403	1.3
140.84653	1.2
149.05998	1.9
166.08641	51.9
170.19713	1.3
177.05444	2.2
210.59886	1.2
225.07330	1.3
368.35330	1.3
404.29343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20842	4.1
50.51400	4.7
53.03944	15.3
55.01863	10.7
55.05514	14.9
57.03424	7.6
61.02927	7.0
67.05497	16.0
69.03423	51.8
69.07066	11.9
70.06581	11.9
70.42754	17.3
71.04984	11.1
72.08137	6.4
73.02908	13.5
75.76740	4.6
79.05498	19.9
80.06380	3.9
81.03416	39.3
81.07047	24.0
83.05000	5.5
83.08615	5.0
85.02898	87.7
86.09697	10.2
87.00813	31.5
91.05492	13.4
92.04995	9.3
93.07064	18.0
95.04961	14.5
95.08610	27.4
96.08139	6.5
97.02899	27.0
97.06535	7.3
97.10157	4.6
99.04440	31.8
105.01881	28.5
105.07029	26.5
106.06541	59.4
106.07175	6.8
107.08607	32.9
108.08133	20.6
109.02897	27.7
109.06522	27.5
109.10160	42.2
111.04468	5.3
111.08076	13.5
116.31643	4.9
117.03388	18.2
117.07049	6.0
119.08570	26.1
120.08121	7.6
121.06472	7.1
121.10125	40.5
123.06814	10.7
123.08037	26.5
124.07580	34.6
125.06008	8.2
125.09634	8.5
125.72005	4.5
127.03902	45.1
127.07517	5.3
129.01842	5.1
133.10107	13.1
134.06035	36.1
135.08037	7.5
135.11702	10.1
137.09619	19.7
141.98389	4.7
145.02855	59.9
145.04942	15.4
145.10071	8.0
147.11662	37.5
149.06004	11.1
149.09621	25.3
151.11191	15.5
152.07066	77.7
156.09338	4.4
159.02888	15.6
161.13223	22.5
163.11198	16.3
165.12724	14.2
170.08124	54.8
177.05467	100.0
179.14304	18.1
181.55920	5.1
189.12721	31.0
207.13808	54.8
225.14841	41.8
231.04956	11.6
243.15880	7.1
286.96661	4.8
332.13489	10.9
490.16953	24.0
508.17917	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.05512	29.4
57.03433	6.2
57.07068	60.9
67.05502	89.9
67.16435	5.5
69.07066	39.7
71.08640	42.2
79.05484	40.2
81.07053	100.0
83.04964	7.2
83.08612	34.6
85.06553	6.8
85.10188	27.9
91.05466	20.5
93.07043	65.0
95.04952	8.4
95.08614	64.2
97.06532	7.7
97.10139	15.3
98.21497	14.6
105.07014	11.8
107.08610	32.4
109.10153	28.1
111.08082	5.8
117.06991	6.8
119.08566	7.1
121.10117	15.2
123.11679	12.4
133.10121	6.6
135.11662	11.5
149.13252	46.2
159.11693	15.5
195.13788	17.5
229.36494	7.6
239.23709	17.2
243.39827	5.3
285.22183	5.2
317.03751	6.3
489.35648	5.6
507.28958	5.8
507.40598	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01859	3.6
55.05508	27.3
57.03431	8.8
57.07076	9.0
59.04987	3.3
64.72483	1.7
65.03951	2.8
67.05503	100.0
69.03427	2.6
69.07071	13.0
69.31720	11.9
69.32141	5.7
71.04976	3.9
71.08618	3.0
79.05486	28.9
81.06583	3.1
81.07052	62.7
82.34741	1.9
83.04987	3.9
83.08614	14.8
85.06543	4.0
85.10163	2.5
91.05472	21.4
93.07036	38.7
95.04937	4.1
95.08602	46.0
97.06532	3.9
97.10146	13.1
103.46126	1.6
105.07030	13.0
107.08597	27.3
109.10153	56.0
111.08054	5.2
117.07004	7.3
119.08569	16.8
121.10126	16.6
121.80611	1.5
123.11673	9.8
125.09612	12.2
129.06981	2.3
129.39745	1.6
131.08551	12.3
133.10118	13.8
135.11707	11.9
137.09618	3.6
137.13252	4.0
139.11096	1.8
143.08575	2.1
145.10092	8.7
145.90964	1.9
147.11674	9.7
149.13275	9.4
153.09032	2.0
157.10170	2.2
159.11678	8.2
161.13264	5.8
169.10201	1.7
171.11568	1.9
173.11714	14.4
173.13246	8.3
175.14746	4.0
179.08572	1.7
185.13306	2.6
187.14857	2.1
189.11194	9.4
189.16478	2.2
195.13744	1.7
200.92395	1.6
227.12810	9.3
229.14345	24.9
231.55846	2.0
243.21049	3.7
258.39676	1.7
259.20554	3.1
261.22119	18.7
279.23218	3.0
289.21588	2.2
317.24741	2.5
333.23773	1.6
335.25790	13.4
379.29822	3.1
397.30933	7.1
415.32065	8.6
433.33090	5.9
471.34702	3.2
489.35721	29.5
507.27518	3.8
507.36777	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01872	2.8
55.05266	2.5
55.05512	31.2
57.03436	8.2
57.07069	5.3
59.04986	1.6
59.38468	1.3
61.49871	1.4
65.03939	3.9
67.05505	100.0
69.03414	1.5
69.07067	16.9
69.64622	7.9
71.04987	4.3
71.08639	4.3
79.05492	31.7
81.03427	1.7
81.07056	75.2
82.14287	1.4
83.04964	1.7
83.08615	15.2
85.06535	3.0
85.10167	2.0
91.05479	22.9
93.07048	38.5
95.04980	4.4
95.08609	45.0
97.06515	3.8
97.10169	18.2
99.08099	2.1
101.88721	1.2
105.07040	17.1
107.08592	25.9
109.06509	2.2
109.10154	59.2
111.08093	3.7
117.07024	7.5
119.08565	18.4
121.10149	18.8
123.08050	1.6
123.11710	12.5
125.09626	11.2
129.07036	2.3
130.54590	1.5
131.08568	13.7
133.10115	12.5
135.08098	1.5
135.11671	13.3
137.13234	3.7
139.11195	2.3
140.89740	1.3
143.08540	2.6
145.10127	10.3
147.11694	11.0
149.13284	11.1
151.14789	1.6
155.08488	1.8
155.10658	2.5
157.10138	3.0
159.11722	8.9
161.13240	9.3
163.11127	1.8
163.14813	3.0
169.10173	1.7
171.11700	2.5
173.11732	14.9
173.13281	7.1
175.14813	2.9
177.12796	1.4
185.13220	1.6
187.14877	3.4
189.11208	11.8
195.13736	2.3
197.13176	1.6
199.14981	2.3
225.30734	1.4
227.12776	10.7
229.14314	26.3
243.21223	3.1
259.20575	2.9
261.22159	27.5
262.22757	1.7
263.23776	3.0
290.50980	1.4
317.24789	4.8
335.25809	19.9
379.29807	2.4
397.31131	8.4
415.32300	8.3
433.33109	4.8
471.34448	3.8
489.35776	34.3
507.36145	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	507.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01871	2.1
55.05505	26.7
56.60288	1.3
57.03434	8.5
57.07071	10.2
59.05000	2.2
63.29050	1.4
65.03931	3.5
67.05502	100.0
68.05835	1.6
69.03426	2.1
69.07066	16.2
70.83111	2.8
71.04970	3.6
71.08626	3.5
72.95206	1.2
79.05492	28.4
79.05954	1.5
81.03386	3.1
81.07053	61.7
83.04975	2.5
83.08614	13.8
85.06548	2.7
85.10165	1.6
87.79240	1.2
91.05478	24.0
93.07041	30.5
95.04966	5.2
95.08601	42.6
97.06546	2.0
97.10159	15.0
99.08140	1.4
105.07040	15.9
107.08589	19.9
109.06492	2.1
109.10151	54.0
111.08071	4.8
115.80898	1.2
117.07040	7.6
119.08579	15.2
121.10141	14.7
123.08055	1.5
123.11688	8.2
125.09605	9.4
131.08572	10.2
133.10118	11.4
135.08089	1.4
135.11688	12.5
137.09619	2.6
137.13226	3.7
139.11180	3.4
143.08551	2.7
145.10085	10.6
147.11664	7.4
149.13251	8.0
153.09036	2.1
155.95882	1.5
157.10098	2.6
159.11685	5.2
161.13268	4.6
163.14864	4.0
169.10126	1.7
171.11664	1.9
173.11731	12.9
173.13269	6.3
175.14792	2.7
185.13277	1.9
187.14771	3.4
189.11209	7.9
195.00276	12.7
205.16013	1.8
213.14862	1.3
227.12651	9.2
229.14333	25.4
243.21071	3.8
259.20560	3.6
261.22131	14.9
279.23212	2.2
285.22067	1.6
289.21609	1.5
303.22842	1.5
313.27435	3.9
317.24680	3.2
335.25836	16.5
379.29889	1.9
397.30917	8.4
415.32022	6.9
433.33075	5.6
462.60675	1.2
471.34589	4.3
475.86862	1.5
489.35751	29.0
507.26892	3.8
507.36804	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	507.2716
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.13196	2.4
55.05508	14.7
57.03426	9.5
57.07046	5.2
61.97761	2.3
65.79003	2.3
67.05170	5.0
67.05502	56.0
69.07082	14.7
69.78967	11.8
69.79380	6.3
79.05488	31.7
81.07053	57.1
83.08644	6.8
85.06522	3.0
91.05485	22.5
93.07043	39.0
95.04980	7.1
95.08037	4.8
95.08609	45.4
97.06511	3.0
97.10190	3.0
98.21418	5.0
98.97878	2.6
98.98460	59.5
105.07033	16.6
107.08592	26.0
109.06525	3.5
109.10152	21.2
111.08064	3.5
117.07008	6.4
119.08556	15.8
121.10141	16.1
123.11695	4.5
125.71066	2.3
131.08598	8.2
133.10095	13.5
135.11693	12.6
137.09689	2.8
137.13312	3.0
145.10164	8.1
145.19438	2.6
147.11668	8.0
149.13306	7.8
155.01041	18.0
156.41960	2.6
159.11702	7.2
161.13324	6.2
173.02132	9.3
173.13313	3.6
196.56877	2.7
212.61353	2.7
223.12880	2.9
229.04678	4.0
229.65652	2.6
243.21138	8.6
247.05820	4.7
261.22119	24.2
317.24750	13.3
335.25806	100.0
335.29855	6.1
458.38013	2.9
471.25360	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	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80901	2.0
53.03942	2.2
55.01871	3.4
55.05511	28.5
57.03426	7.6
57.07060	6.5
59.04984	2.8
63.03672	1.9
65.03945	3.2
67.05503	100.0
69.07067	18.3
71.04987	3.4
71.08629	4.2
77.73679	2.0
79.05487	32.9
81.03391	2.5
81.07058	66.0
83.04990	4.4
83.08604	19.7
85.06530	4.2
86.17432	2.2
91.05467	22.2
93.07042	34.5
95.05011	3.8
95.07989	3.2
95.08603	51.1
97.06517	5.5
97.10150	16.1
98.21601	5.3
99.08082	2.5
105.07023	16.7
107.08580	24.2
109.06483	2.5
109.10155	52.1
111.08053	4.1
117.07033	9.5
119.08568	19.0
121.10127	15.5
123.11737	7.6
125.09613	10.6
129.07007	3.6
131.08563	12.4
133.10127	10.1
135.11710	10.1
137.13260	3.2
143.08557	2.8
145.10150	9.6
147.11699	9.8
149.13269	10.2
152.89249	2.1
157.10167	4.4
159.11687	8.9
161.13283	7.8
163.14725	3.2
171.11703	2.7
173.11752	12.9
173.13245	6.2
187.14867	6.1
189.11256	12.1
195.00287	14.5
227.12798	9.8
229.14357	21.5
229.54546	2.6
243.21106	3.1
261.22131	25.6
313.27194	3.3
335.25769	13.5
397.31067	8.9
415.32181	9.5
433.33234	7.0
471.34399	3.2
489.35757	27.4
507.26791	2.4
507.36789	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	507.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45093	1.2
55.05497	1.7
56.96554	1.9
57.03421	1.7
59.05003	1.3
60.74982	1.6
61.02931	1.7
65.03943	2.8
67.05501	3.8
69.03423	5.4
69.07061	1.7
69.95008	3.2
69.95399	4.2
70.06586	2.2
71.04988	1.7
79.05489	4.9
81.03415	4.8
81.07054	6.5
83.08622	2.2
84.04467	1.4
85.02893	10.3
85.74332	1.6
86.03236	1.6
86.09704	3.3
91.05477	44.3
91.06017	3.1
93.07050	3.7
94.04178	3.3
95.04969	6.0
95.08589	2.7
97.02913	3.4
103.05456	4.1
105.07040	4.2
107.04947	3.6
107.08575	3.9
109.02898	3.4
109.06504	4.0
109.10147	3.6
111.04420	2.4
115.05469	3.4
117.06969	2.1
119.04943	31.6
119.07652	1.7
119.08561	5.0
121.06501	3.3
121.10098	3.0
122.03630	6.9
123.04445	2.7
123.08022	2.2
127.03854	3.3
128.06245	3.6
129.07030	4.0
131.04922	5.8
133.10136	3.2
136.05209	3.7
137.05974	100.0
138.06305	2.2
139.05455	2.3
143.04895	1.9
143.08658	2.1
145.02913	1.9
145.06502	2.8
145.10170	1.8
147.04388	2.9
147.11681	3.7
149.05966	18.8
151.03958	3.3
151.07538	82.8
152.07777	1.4
153.00645	2.2
153.01788	3.7
157.06413	3.2
160.05255	2.0
161.05975	3.5
163.07466	1.7
165.09126	1.6
167.04910	2.8
175.07544	8.9
177.05441	2.7
181.04948	2.5
181.06525	2.2
184.05222	2.8
187.07536	5.5
189.09088	3.7
199.07542	53.8
203.08565	3.2
205.08620	3.2
211.07465	3.0
213.09116	4.7
219.08160	1.7
220.08662	2.3
221.05984	2.1
223.07413	2.3
231.08061	6.3
233.06070	1.9
235.07506	2.0
237.02765	2.3
241.08565	3.1
244.08894	1.4
245.09686	1.7
247.07600	2.2
248.08342	5.8
249.09003	3.3
253.08630	1.8
255.06354	2.0
259.09628	13.6
260.08264	3.0
261.09097	3.4
262.09763	2.4
263.06973	1.9
263.10782	6.3
265.08606	1.8
267.09946	1.7
275.10715	4.0
276.07825	4.6
277.08582	5.9
278.09293	3.1
285.11270	4.6
287.05481	4.3
289.08749	2.1
290.09525	2.1
291.10196	26.2
292.10498	1.8
295.09625	2.0
303.10104	4.1
305.08105	2.4
305.11716	5.5
306.08832	2.5
307.09662	6.1
308.10364	3.5
309.11237	5.7
315.05099	2.3
315.10046	3.2
319.09454	2.3
320.10367	3.7
321.11197	15.7
322.11844	2.9
323.12753	23.4
330.07361	9.1
333.11255	4.5
335.12759	26.0
337.14456	3.2
345.09726	21.5
347.12619	4.4
351.12234	7.0
352.12994	3.0
365.13571	3.1
418.14078	12.5
419.14499	2.9
440.95047	1.8
448.30609	1.8
459.18234	9.9
471.17862	3.9
489.19028	10.0
507.17514	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	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.99852	1.2
55.01870	1.4
55.05511	16.1
57.03442	9.1
57.07072	2.2
58.42758	1.2
59.04996	4.2
60.59184	1.2
62.46762	1.2
65.03928	2.7
67.05502	100.0
69.03412	1.6
69.07067	10.8
69.48988	1.8
69.49387	8.6
71.04992	4.7
79.05490	26.1
79.51437	1.0
81.07059	34.7
83.08626	6.9
85.02873	1.1
85.06525	3.6
86.09712	2.2
91.05473	35.3
91.06007	2.2
93.07041	29.0
93.07632	1.5
95.04970	5.4
95.08603	20.7
97.06546	2.6
97.10180	3.3
98.21636	1.2
99.08083	1.8
103.05457	1.7
104.10773	1.8
105.07036	28.3
107.04929	1.5
107.08596	17.1
109.06519	1.6
109.10152	72.5
110.10490	1.9
111.08117	3.0
117.06995	8.0
119.08575	36.3
121.06538	1.4
121.10142	15.0
123.08099	1.7
123.11726	2.0
125.09618	4.0
129.07001	6.3
131.08543	12.2
133.10133	23.0
133.11108	2.2
134.10509	1.3
135.08099	2.1
135.11678	9.2
137.09650	3.6
143.08580	6.0
145.10103	12.1
147.08035	1.4
147.11688	22.9
149.09656	1.9
149.13249	9.0
155.10683	4.1
157.10159	6.1
159.11693	11.7
161.13268	19.5
163.11252	1.7
163.14801	3.3
169.10168	1.4
171.11682	6.9
173.11754	18.7
173.13258	5.5
175.11034	1.2
175.14824	8.8
177.12721	1.7
184.07336	1.6
185.13257	5.8
187.14786	3.1
189.11259	2.6
199.14824	3.9
203.17995	1.3
213.16373	2.3
215.17999	1.3
217.15921	1.5
227.12804	4.4
229.14326	43.4
231.21059	7.4
241.19501	19.9
241.21779	2.2
243.21085	1.4
259.20560	48.6
260.20798	1.5
261.22238	3.2
275.20178	1.7
277.21527	2.6
293.21170	1.4
315.23285	3.6
333.24240	25.0
334.24481	1.6
413.30591	1.6
487.34222	8.3
505.35632	8.5
506.31277	1.5
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	Unknow
Peak:m/z	Relative Intensity
50.81204	1.5
51.63227	1.6
53.03944	2.9
55.05509	18.1
57.03427	4.3
57.07077	20.2
59.05012	1.7
65.03934	4.2
65.69130	1.5
67.05505	100.0
69.07075	13.3
70.27692	7.2
70.28064	2.3
71.04996	2.2
71.08632	35.7
79.05495	28.4
81.03422	41.9
81.07058	44.8
83.04970	5.1
83.08619	21.0
85.06534	3.5
85.10181	5.3
91.05484	30.4
93.07041	36.3
95.04977	17.1
95.07984	2.1
95.08605	37.3
95.09180	3.2
97.02882	1.9
97.06529	4.2
97.10149	8.7
99.08112	15.4
105.07041	16.3
107.04951	7.9
107.08595	18.0
109.06537	2.1
109.10155	47.8
111.08089	3.1
113.09663	1.9
115.05474	1.8
117.07039	3.9
119.08580	19.0
121.06567	2.2
121.10138	17.3
123.08103	2.5
123.11739	3.6
129.06989	4.7
131.08574	7.0
133.10123	9.1
135.11667	16.3
137.09604	2.9
145.10109	3.3
147.08070	2.5
147.11684	7.0
149.09613	2.6
149.13258	5.5
151.10094	1.7
151.11189	7.7
157.10117	2.8
161.13232	4.5
163.11172	3.4
163.14799	1.9
167.88716	2.0
173.11810	8.7
175.11203	4.7
177.12778	3.3
179.14310	55.8
193.12260	23.6
229.14476	2.6
235.16843	3.0
239.23759	3.7
249.14822	2.4
259.20667	2.3
265.07846	1.6
277.21616	35.9
295.22653	2.4
418.87576	2.0
487.35022	1.9
505.35321	17.7
505.38629	21.1
525.89063	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05507	17.8
57.03436	8.5
57.07071	2.8
59.04988	4.6
65.03915	3.6
65.07269	1.0
67.05502	100.0
69.07062	8.4
69.84162	6.5
71.04977	4.0
79.05490	29.1
80.37654	1.1
81.06582	2.3
81.07050	36.7
83.04961	1.9
83.08627	8.6
85.06522	3.2
91.05480	40.0
93.07038	28.6
95.04971	3.2
95.08603	19.7
97.06494	1.6
97.10158	3.1
98.20776	1.8
99.08067	1.7
102.03098	1.1
105.07023	31.7
107.08597	18.9
109.06524	3.5
109.10153	64.6
110.10464	1.7
111.08077	2.0
114.25748	1.2
115.05476	1.0
117.07010	9.4
119.07697	1.5
119.08567	32.1
121.06496	1.2
121.10142	10.4
123.11675	1.5
124.82658	1.1
125.09634	3.5
126.48180	1.2
129.05424	1.4
129.07010	6.2
130.17252	1.0
131.08556	14.2
133.10123	26.1
135.11705	11.2
137.09615	2.7
143.08504	6.4
145.10101	12.5
147.11682	30.3
149.13243	8.0
155.10654	3.8
157.10097	5.8
159.11673	9.9
161.13254	20.5
163.11147	2.0
163.14841	3.1
171.11685	8.2
173.11729	21.7
173.13258	7.7
175.14801	7.8
177.12854	1.4
184.48930	1.1
185.13254	6.5
187.14851	3.2
189.11195	2.5
199.14822	4.2
201.16348	1.8
213.16396	2.6
227.12779	4.8
229.14337	44.0
231.21033	4.6
237.93822	1.2
241.19493	24.8
243.21019	1.2
253.07025	1.1
259.20566	55.4
261.22095	2.7
277.21625	2.1
315.23083	3.4
333.24225	26.1
413.30212	1.6
487.34247	6.8
505.35272	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01867	5.7
55.05510	66.2
57.03435	8.6
57.07072	17.5
59.05001	2.1
59.63395	1.3
65.03932	4.2
67.05504	100.0
69.03419	8.8
69.07068	22.0
69.81060	8.2
71.04968	2.5
71.08640	11.3
79.05490	64.9
81.03416	30.8
81.07056	66.9
83.04966	6.1
83.08620	39.5
85.06527	3.5
85.10186	5.6
90.20020	1.7
91.05479	42.8
93.07040	64.1
94.55036	1.5
95.04964	14.1
95.08605	50.3
97.02875	2.4
97.06529	3.2
97.09544	3.5
97.10168	64.5
98.20782	2.2
101.09688	1.9
105.04468	1.6
105.07027	26.9
107.04948	2.8
107.08591	47.5
109.06549	3.2
109.10156	39.5
111.08074	8.1
113.03482	3.3
114.89590	1.5
116.98676	1.7
117.07040	9.3
119.08583	23.3
121.06468	2.5
121.10139	26.4
123.11695	5.5
125.09622	58.6
129.07010	4.6
131.08574	19.2
133.10139	16.9
135.08080	5.9
135.11674	20.2
137.13264	2.3
141.28519	1.6
143.08562	3.6
143.10669	4.2
145.10121	10.1
147.08109	1.6
147.11674	15.4
149.09679	2.6
149.13281	10.2
153.09088	3.4
157.10133	4.1
159.11679	10.4
161.13264	11.1
163.14832	2.4
171.10255	2.6
171.11736	2.3
173.11728	6.7
173.13249	5.2
175.11142	3.0
175.14799	4.4
185.13173	2.4
187.14845	2.6
189.11209	48.7
190.11461	1.6
193.12228	18.8
195.00357	3.9
221.96640	1.6
227.12781	32.1
229.14279	12.2
231.20982	1.8
239.23715	3.6
241.19554	4.8
243.21088	5.1
245.13866	3.6
259.20566	14.2
261.22119	24.7
277.21652	2.4
311.26025	1.7
317.24997	2.7
333.17310	1.7
333.24243	5.7
395.29758	1.9
431.31491	1.9
487.34149	6.9
505.24939	3.4
505.34482	52.6
506.35474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01867	4.2
55.05510	53.4
56.93037	1.9
57.03427	6.7
57.07068	14.7
59.04993	3.2
65.03938	2.7
67.05502	100.0
69.03426	5.1
69.07066	23.5
69.74557	5.5
69.74991	6.7
71.04985	3.8
71.08629	10.1
76.29032	1.6
79.05489	46.7
81.03416	30.7
81.07050	66.4
82.62170	1.8
83.04972	5.4
83.08617	41.9
85.06532	4.5
85.10175	6.6
91.05482	36.7
93.07042	47.4
95.04971	13.1
95.08607	44.8
95.09235	1.8
97.02931	1.9
97.10169	51.5
98.20824	3.2
99.08096	2.6
105.07030	29.2
107.08581	41.6
109.06501	3.3
109.09461	3.8
109.10155	50.4
111.08099	8.7
115.55845	1.7
117.07022	7.9
119.08574	23.1
121.10145	21.8
123.11703	5.6
125.09628	42.5
129.07007	7.9
131.08565	18.9
133.10121	20.3
135.08040	7.6
135.11665	15.8
137.09596	3.4
142.07919	2.1
143.10776	2.3
145.02834	2.1
145.10132	14.8
147.11673	18.6
149.09677	3.3
149.13289	10.5
149.14349	2.2
151.11179	1.9
155.60947	1.9
157.10092	4.9
159.11729	7.5
161.13229	11.8
163.14883	5.3
171.10188	2.9
171.11653	4.3
173.11746	9.3
173.13260	9.2
175.11192	4.5
175.14865	4.1
176.99142	4.0
177.05432	2.5
185.13211	5.1
187.14864	2.9
189.11221	42.2
193.12262	11.0
195.00273	11.0
227.10590	2.9
227.12761	36.0
227.14909	2.6
229.14342	22.3
241.19514	7.8
243.21158	5.1
245.13910	3.2
249.14871	3.1
259.20557	22.7
261.22122	22.6
277.21661	4.5
311.25977	2.3
315.23380	2.9
317.24719	3.8
333.24179	5.8
395.29218	2.3
413.30627	4.2
431.31213	2.5
487.34070	7.1
505.25180	14.3
505.35492	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01860	0.6
55.05512	4.6
57.03452	1.5
57.07070	1.8
60.80224	0.3
63.02384	0.4
65.03909	0.5
67.05503	10.1
67.44221	0.3
69.07067	3.8
70.83714	0.8
70.84048	0.5
71.04995	0.5
71.08608	1.1
78.04692	0.4
79.05486	4.0
81.03412	3.0
81.07054	5.6
82.82375	0.4
83.08615	3.1
85.10180	0.8
89.03913	6.0
91.05479	3.8
93.07037	4.2
95.04965	1.0
95.08602	4.3
97.06557	0.4
97.10178	2.2
104.09327	0.3
105.07030	3.0
107.08575	2.8
109.06518	0.6
109.10160	5.3
111.08069	0.9
117.03374	17.7
117.07011	1.0
119.08590	2.9
121.10109	1.9
123.08047	0.3
123.11668	0.7
125.09621	1.3
129.06996	0.5
131.08549	1.3
133.10138	1.7
134.03596	1.1
135.04422	1.7
135.11676	1.4
143.08554	0.5
145.02838	41.9
145.10123	1.1
147.11659	2.2
147.29909	0.3
149.05972	6.0
149.09651	0.5
149.13234	1.1
157.10117	0.6
159.11742	0.9
161.13260	1.3
162.03128	0.5
163.03880	1.1
171.11639	0.6
173.11734	1.7
173.13120	0.8
175.14868	0.4
177.05463	100.0
178.05803	0.9
185.13228	0.6
186.05458	2.2
189.11212	0.8
193.12209	0.9
195.06558	1.0
227.12798	1.2
229.14265	2.8
231.21010	0.4
233.08119	0.3
239.23706	0.4
241.19476	1.4
259.20563	3.0
261.22205	0.6
299.23755	0.4
333.24448	1.6
355.13852	0.3
474.91562	0.3
487.34232	0.6
505.31583	1.5
505.38364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01870	8.5
55.05515	28.0
55.91264	2.8
57.03434	6.0
57.07068	13.6
61.02901	4.1
63.82513	2.8
65.90716	3.0
67.05504	43.3
68.42245	3.0
68.99786	5.3
69.03427	41.5
69.07064	65.0
69.46677	6.9
69.47085	24.1
71.01329	3.1
71.04996	6.3
71.08609	4.1
79.05491	38.6
81.03430	20.6
81.07053	100.0
83.04967	13.4
83.08612	22.9
85.02903	30.3
85.06529	7.1
87.00832	11.4
91.05470	29.0
93.07045	51.4
95.04967	22.9
95.08601	95.1
97.02882	16.5
97.06522	10.5
97.10152	11.5
98.20763	7.1
99.04449	3.8
103.03967	3.2
105.01879	5.2
105.07024	52.3
107.04957	6.2
107.08589	61.2
109.02934	4.9
109.06525	7.4
109.10152	54.5
111.04454	10.3
111.08069	8.1
111.11697	6.8
113.02412	5.1
115.03912	7.2
117.06995	9.2
119.08566	45.2
121.06493	5.7
121.10142	34.1
123.04429	6.9
123.08054	8.1
123.11693	29.0
125.09675	3.1
127.03902	12.0
128.06241	4.5
129.01837	3.5
129.05554	3.1
129.07011	8.4
131.04895	3.1
131.08539	23.5
133.06528	7.4
133.10143	29.6
135.08051	9.0
135.11697	24.3
137.05998	5.9
137.09561	6.9
137.13232	8.9
142.07803	5.8
143.08522	14.5
145.06473	4.2
145.10121	27.3
147.08009	9.4
147.11699	24.0
149.09616	12.1
149.13225	31.6
151.11227	4.8
155.08524	8.4
157.10139	17.3
159.02834	7.3
159.11681	21.6
161.09647	11.2
161.13252	17.1
163.07675	3.1
163.11200	4.7
163.14795	15.0
165.09134	6.1
169.10106	4.9
171.11673	13.7
171.13121	3.1
173.09581	3.8
173.13272	13.8
175.11165	7.7
175.14847	10.3
177.09138	7.3
177.16441	6.5
181.10233	4.3
183.11679	6.8
185.09634	4.0
185.13266	9.8
187.11133	3.2
187.14760	5.2
189.03944	3.4
189.12733	5.5
189.16376	7.9
193.12195	3.8
193.22049	3.1
195.11737	5.1
197.13283	5.3
199.14832	5.1
201.12766	4.1
201.16537	3.8
203.16106	3.9
203.17978	5.2
211.14740	4.7
211.16901	3.4
215.14308	5.4
215.17966	3.8
217.19586	4.6
227.17920	4.2
229.15948	4.8
236.59499	3.8
240.47047	3.0
241.15752	4.2
271.58981	3.1
273.25800	9.1
284.55908	3.6
285.25693	6.7
287.27332	5.4
297.25540	3.4
315.26840	4.9
327.26880	3.5
329.28244	5.3
339.26788	5.0
341.28485	4.6
359.29398	6.1
365.28412	8.3
372.09393	3.6
383.29352	28.6
401.30377	21.1
469.29684	4.4
487.30472	25.6
505.31534	40.7
506.32559	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	505.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.2
55.01864	10.2
55.05497	4.8
57.03421	6.8
61.02913	6.7
67.05492	7.7
68.99785	5.9
69.03425	37.8
69.07060	6.0
71.01322	1.9
71.04988	5.6
71.08627	1.8
71.57869	2.3
73.02907	7.6
79.05486	6.7
81.03416	37.2
81.07053	14.4
83.08615	1.9
85.02903	73.4
85.06535	2.3
87.00828	20.5
91.03955	2.5
91.05474	15.5
93.07041	8.4
95.04974	6.4
95.08614	8.7
97.02898	26.0
97.10171	2.3
99.04456	15.3
103.03938	3.6
103.05444	3.3
105.01860	22.6
105.07039	22.1
107.04951	12.2
107.08588	5.9
109.02874	31.9
109.06528	3.9
109.10137	5.5
111.04429	5.7
111.30479	1.6
113.36030	1.5
115.03928	2.1
115.05458	2.5
117.01829	3.0
117.07020	3.7
119.04948	10.9
119.08582	8.0
121.02841	2.9
121.06509	9.8
121.10140	4.6
123.11665	1.8
127.02966	3.3
127.03912	60.4
129.01813	4.6
129.07008	2.9
131.04916	3.8
131.08575	3.8
133.06496	23.6
133.10110	4.2
135.04460	1.7
135.08078	3.3
135.11684	2.1
135.61325	1.5
137.05968	8.6
139.07478	1.7
141.42896	1.3
145.04971	13.1
145.06439	4.7
145.10098	4.2
147.02838	2.8
147.04376	3.9
147.11664	3.5
149.06003	3.7
149.13274	2.2
151.07567	7.3
153.01822	5.0
157.06535	3.1
157.10149	1.8
159.02872	20.5
159.11732	3.5
161.09674	1.8
161.13258	1.7
161.50775	1.4
163.07491	3.5
163.14803	1.9
164.08336	2.5
165.07001	3.7
167.08508	2.2
169.10146	2.5
171.02864	2.4
171.11775	2.7
173.09564	1.4
173.13274	1.7
176.14410	1.7
179.08525	2.5
181.06496	1.5
182.05464	1.5
182.07256	3.1
183.08009	1.9
189.03989	2.9
194.07321	2.0
197.09633	6.5
199.07535	3.3
210.06738	3.9
211.07547	3.2
213.03911	2.3
225.09169	9.2
226.09895	5.1
227.06976	2.3
231.05020	6.7
239.10814	1.8
242.09311	8.2
256.11035	2.7
257.11713	100.0
258.12024	2.8
259.13177	2.1
267.10022	1.4
269.11841	8.7
281.11740	5.4
293.18311	1.9
299.12766	9.3
323.12851	2.6
365.13745	5.4
383.29593	2.5
449.31171	1.9
504.33075	3.7
505.13974	1.8
505.33386	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.7
55.01857	11.9
55.05495	15.6
56.96583	8.7
61.02899	12.5
66.16485	9.9
67.05494	40.7
69.03407	31.4
69.07059	18.4
69.78556	46.9
71.04964	10.2
73.02916	13.5
79.05482	26.0
81.03400	38.3
81.07048	98.4
83.08622	9.8
85.02902	72.4
87.00795	28.8
91.03920	11.5
91.05458	36.1
93.07065	59.0
95.04921	12.7
95.08589	100.0
96.08939	10.2
97.02885	36.7
97.10141	14.5
98.21409	12.9
99.04472	12.2
105.01854	22.4
105.07025	79.0
107.08603	79.8
109.02853	19.9
109.10142	64.5
115.61299	9.1
119.08575	63.2
121.10120	26.3
123.11667	10.7
127.03889	39.6
131.08595	12.0
133.10162	47.8
135.11691	30.9
137.05911	11.0
145.04974	20.1
145.10126	10.8
147.11661	51.3
149.13290	11.2
159.02921	26.9
159.11694	12.5
161.13298	18.0
163.14748	11.7
167.96674	8.4
189.00665	10.5
203.17982	82.8
231.05074	11.2
248.71500	9.0
269.95966	9.0
278.00433	9.4
451.07364	15.1
504.30853	11.8
521.61493	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	17.0
55.05510	20.9
56.96553	13.4
57.03424	14.1
61.02916	16.2
67.05482	38.0
69.03427	38.9
69.07053	30.0
69.54020	61.3
69.54448	39.1
71.04964	17.6
79.05475	44.0
79.05989	10.4
81.03404	30.2
81.07059	100.0
83.08588	17.0
84.04526	13.6
85.02901	78.4
87.00806	20.4
91.05460	44.9
93.07047	62.6
95.04940	17.3
95.08594	83.9
97.02894	33.3
97.10100	12.6
99.04446	15.9
105.01856	24.1
105.07028	69.2
107.08574	68.3
109.02840	23.6
109.10161	59.6
119.08541	54.0
121.10126	51.9
122.15138	12.7
123.11667	16.5
127.03915	65.6
133.10077	38.4
134.02698	14.7
135.11667	27.7
137.05978	23.3
145.04929	21.6
147.11638	48.9
159.02837	14.2
159.36934	12.1
203.17995	85.1
221.19048	20.0
227.02991	11.1
231.04999	14.4
232.27802	13.0
246.42409	11.7
285.10025	18.3
300.06625	15.3
344.97278	13.4
389.11691	13.3
504.31216	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	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86657	4.8
54.05019	4.0
55.01857	11.9
55.05500	16.7
57.07108	4.6
63.50273	5.0
67.01844	4.7
67.05494	23.7
67.05799	4.8
69.03424	58.9
69.07082	23.4
69.07373	4.6
70.03723	6.1
79.05486	22.7
81.03417	13.0
81.07046	57.2
82.07388	4.6
83.08611	10.7
85.02893	12.5
87.00812	5.7
91.05465	35.8
93.07043	91.5
95.04949	15.5
95.08601	49.5
96.08933	11.2
97.02917	4.7
97.06473	5.3
103.05436	8.7
105.07033	52.9
107.04948	5.9
107.08580	50.9
108.08918	6.5
109.02885	6.6
109.06509	6.3
109.10158	56.9
110.10473	6.2
111.08083	24.1
112.10445	5.1
118.90286	4.4
119.08575	39.0
120.08834	4.6
121.10147	34.2
123.08042	4.7
123.11684	9.5
127.03921	7.4
128.81406	4.3
131.04881	14.2
131.08568	6.3
133.10126	28.2
134.10448	6.5
135.07991	4.2
135.11696	38.3
140.30038	4.5
145.10127	13.2
146.10463	4.6
147.11671	28.5
148.12035	7.1
149.13239	11.8
151.11160	6.3
153.01840	56.5
159.11687	8.0
161.13249	11.2
163.14810	6.5
167.05592	5.5
171.02852	26.0
203.17943	26.3
229.59122	4.9
256.18961	5.6
257.08069	100.0
382.28299	5.9
400.29324	6.8
431.24310	5.6
486.28995	5.6
504.30234	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05505	5.6
57.03422	1.9
61.02915	2.5
67.05492	2.6
69.03421	9.0
69.07064	1.9
70.06587	2.0
70.24944	3.6
71.04996	1.1
71.08639	9.7
72.08148	1.8
73.02894	1.7
76.02193	1.3
79.05470	2.2
81.03403	3.1
81.07065	4.5
83.04981	4.8
83.08618	1.5
84.08132	1.3
85.02899	9.8
86.06060	17.7
87.04417	1.1
91.05448	2.4
93.07027	2.6
95.04958	2.3
95.08600	3.2
96.08116	4.2
97.02876	6.2
97.06516	1.9
98.09692	9.1
99.04454	1.7
99.08089	17.3
100.07642	1.2
101.06014	3.4
105.07018	2.8
107.08578	2.6
108.08075	1.2
109.02849	2.1
109.06509	1.4
109.10136	2.1
111.04443	4.7
116.10723	25.9
116.98512	0.8
117.07001	1.0
119.08583	2.7
120.08123	1.6
121.10094	1.5
122.09670	1.4
123.04414	3.9
127.03916	5.6
129.05457	1.6
131.08575	1.0
134.09605	2.3
137.05981	7.3
138.06409	2.2
142.08624	9.3
147.04393	3.5
147.06448	1.1
147.11635	1.8
149.05891	1.3
155.07011	2.4
160.11371	1.0
161.13274	1.3
164.10728	4.4
173.08089	2.2
177.05453	2.3
178.12314	1.2
180.13835	1.2
181.05075	1.1
182.15347	4.5
184.13353	1.2
190.12320	4.4
198.14900	2.0
203.17967	1.3
208.13310	6.0
214.18039	5.6
226.14357	27.2
243.12354	2.0
244.15434	100.0
245.15694	1.2
261.13354	3.1
290.09399	0.9
342.10889	1.4
342.22812	4.6
365.23331	1.1
382.13672	1.0
388.19714	3.3
406.15720	1.5
406.20657	19.0
414.22714	2.3
448.57281	0.9
460.23160	5.0
504.27466	3.6
504.35284	1.5
520.61359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03935	4.2
55.01880	3.4
55.05508	11.8
57.03421	2.2
57.07077	4.3
59.04988	9.3
65.03955	2.4
67.05501	17.3
69.03422	7.7
69.07064	37.2
69.93638	3.6
69.94031	3.8
71.04987	5.8
73.02938	1.8
79.05492	21.5
81.00109	1.7
81.03417	5.1
81.07054	100.0
82.07407	1.9
83.08618	7.9
85.02910	10.1
86.09716	1.9
87.00829	5.8
91.05460	12.9
92.05801	2.0
93.07033	32.3
95.04981	4.5
95.08599	39.1
97.02881	5.2
97.06524	5.8
97.10152	3.4
99.04438	2.4
105.01863	4.7
105.07024	41.2
107.08585	40.2
108.08878	1.5
109.02884	5.1
109.06531	4.8
109.10156	34.9
111.08076	2.8
111.11711	4.9
117.06985	1.7
119.08570	38.7
119.09358	3.0
121.10135	27.5
123.11711	27.1
125.09661	4.5
127.03928	9.4
129.06947	1.8
133.10127	25.7
135.11678	17.0
137.09630	3.8
137.13170	2.0
139.11205	2.6
145.04941	3.2
145.10118	3.5
147.11691	35.8
149.13246	12.1
151.11183	2.7
153.12746	20.7
159.02893	2.2
161.13255	11.3
163.14821	7.9
165.12770	9.3
167.05557	1.6
175.14838	3.3
184.07336	2.1
203.17950	32.5
214.68578	1.5
221.19003	18.1
260.98407	1.7
262.24701	1.7
504.33517	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.9
55.05498	9.0
57.07067	11.5
61.02918	5.2
67.05493	22.3
69.03406	14.2
69.07050	16.3
69.95804	28.7
70.06599	8.5
71.66125	5.4
79.05477	16.4
81.03409	7.9
81.07044	27.5
83.08607	10.7
85.02905	28.2
85.06524	16.3
87.00750	5.4
88.44038	5.0
91.05476	17.0
93.07040	38.9
95.08579	26.2
97.02882	12.3
105.01867	6.7
105.07019	35.3
107.04918	5.6
107.08597	21.2
109.10163	31.5
113.65545	5.1
119.08564	27.9
121.10136	100.0
123.11715	16.5
127.03867	14.7
128.14156	5.3
133.10103	15.9
134.79124	5.2
135.11668	9.3
137.05925	5.4
145.04961	6.4
147.11697	20.3
159.11624	7.0
161.13271	7.0
162.12715	5.2
163.14775	8.0
174.53192	5.0
177.16295	7.7
181.15916	11.6
203.17911	23.4
221.19043	16.5
239.20026	7.7
388.38910	5.8
412.80197	6.0
504.33081	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	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.05267	1.3
55.05513	17.5
57.07063	3.7
59.04993	1.4
59.74933	1.1
65.03941	3.2
67.05505	65.0
69.03455	1.3
69.06714	1.5
69.07066	13.4
69.63280	6.5
69.63701	2.3
71.04990	5.2
72.48645	1.2
75.19716	1.1
77.59716	1.0
79.05491	41.6
81.03416	3.0
81.07056	100.0
83.04972	1.2
83.08615	9.1
85.06551	10.2
86.14837	1.2
91.05474	21.8
93.07042	30.6
95.03310	1.0
95.04971	5.1
95.08598	23.9
97.06509	3.3
97.10187	2.5
105.07044	17.6
107.08606	14.0
109.06505	1.2
109.10155	12.2
111.11732	1.3
117.07003	4.3
119.08574	11.2
121.10140	14.9
123.11700	12.6
125.09648	1.4
131.08574	7.8
133.10126	12.9
135.11702	6.5
139.12631	1.1
143.08534	2.1
144.72850	1.1
145.10161	5.8
147.11685	3.6
149.09555	1.1
149.13287	3.5
151.11188	3.8
157.10110	1.6
159.11682	4.9
161.13293	2.0
169.12154	2.4
173.13246	2.7
175.14719	1.6
182.27127	1.0
187.13310	8.2
187.14748	1.5
200.01955	1.4
213.12738	1.2
259.20688	1.2
261.22168	3.8
390.12839	1.3
411.32526	2.1
485.36316	2.2
503.38083	42.9
523.31677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.05510	21.9
57.03432	3.5
57.07076	3.1
59.04991	1.4
65.03934	3.8
67.05502	76.2
69.07065	17.0
71.04995	10.2
71.08621	1.8
71.58340	2.1
79.05488	42.7
81.03429	2.4
81.07053	100.0
83.04980	3.0
83.08615	10.4
84.52895	0.9
85.06540	10.6
85.10161	1.2
91.05474	32.4
93.07040	40.0
95.04935	6.3
95.08599	28.8
97.06533	2.6
97.10162	3.5
99.08097	1.3
99.47253	1.3
105.07033	22.2
107.08587	22.2
109.06499	2.0
109.10147	16.6
111.08073	1.5
117.07002	5.4
119.08584	18.4
121.10145	18.9
123.11715	12.7
129.06966	1.8
131.08563	11.7
133.10135	21.3
135.11682	9.9
135.12416	0.9
137.13225	1.2
139.11235	1.5
143.08589	2.3
145.10110	10.0
147.11679	9.2
149.13266	5.1
151.11194	4.8
153.12753	2.4
155.08533	1.6
157.10158	2.9
159.11729	8.7
161.13258	4.0
163.11208	1.4
163.14775	1.4
169.12268	1.8
171.11766	1.8
173.13287	4.7
175.14722	2.0
187.13313	8.7
187.14909	2.7
197.13260	1.2
201.16371	1.5
227.16510	1.9
259.20789	1.4
261.22272	3.9
275.20074	3.3
279.36514	1.4
285.22321	1.9
299.06180	1.2
317.24960	1.4
393.31793	4.2
411.32422	6.1
429.33429	2.7
485.36292	4.3
503.37396	79.8
504.37775	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	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01865	1.8
55.05509	18.5
57.03437	2.9
57.07073	3.2
59.04979	1.1
65.03939	3.1
67.05504	69.4
69.03437	1.2
69.07069	13.5
71.04996	7.6
71.08612	0.9
71.57724	0.8
71.58134	1.1
79.05492	42.5
81.03436	1.7
81.07057	100.0
83.05003	2.5
83.08621	8.0
85.06532	11.1
91.05474	24.9
93.07043	32.3
95.04981	6.1
95.08605	25.0
97.06536	3.6
97.10180	3.5
103.05474	0.9
105.07030	16.4
107.08590	18.1
107.09300	1.3
109.06573	2.1
109.10158	13.8
111.08116	1.2
111.11752	0.8
117.07028	3.7
119.08591	14.4
121.10151	16.1
123.08048	0.9
123.11707	14.2
123.74775	0.7
125.09607	1.2
129.07005	1.6
131.08568	7.9
133.08601	0.9
133.10138	16.6
135.11694	10.5
137.09731	0.8
138.09647	0.7
139.11163	1.2
143.08615	2.1
145.10107	7.8
147.11693	7.0
149.09605	1.0
149.13277	4.3
151.11176	6.1
155.08621	0.9
157.10205	1.1
159.11700	5.6
161.13326	3.1
163.14700	1.1
169.10168	1.1
169.12291	3.0
171.11772	1.6
173.13226	5.4
175.14803	1.9
177.12753	0.8
183.11725	1.1
185.13338	1.6
187.13345	9.1
187.14885	2.1
193.12256	0.9
199.14922	0.9
209.13162	0.7
227.16312	0.8
259.20602	0.8
261.19531	0.9
261.21957	4.1
275.20172	2.4
295.42172	0.8
317.25116	1.5
370.57376	0.9
393.31534	2.2
411.32758	3.3
419.11862	0.8
485.36227	2.7
503.37418	65.8
504.37885	1.5
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	Unknow
Peak:m/z	Relative Intensity
51.02340	1.3
53.03939	3.5
55.01873	7.0
55.05276	1.2
55.05514	17.6
55.29537	1.2
57.03428	4.9
57.07074	1.7
59.05001	3.3
59.75455	1.2
65.03918	3.0
67.05503	100.0
69.03411	2.3
69.07065	21.6
71.04987	3.9
71.58165	2.1
79.05489	24.7
81.03418	7.2
81.06588	2.6
81.07056	45.6
83.04979	5.4
83.08613	11.7
85.06532	3.2
91.05465	38.3
93.07039	26.4
95.01313	8.4
95.04973	5.7
95.08609	25.9
97.06525	13.8
97.10175	3.1
105.07032	49.0
107.04951	10.3
107.08583	15.2
109.06522	2.4
109.10152	49.3
111.08078	4.2
115.05468	2.4
117.07012	12.1
119.04932	1.3
119.08578	27.0
120.79529	1.2
121.06467	2.0
121.10173	6.1
123.04451	2.2
123.08054	3.2
123.11727	1.4
125.09610	1.6
128.06171	1.7
129.06993	3.9
131.08574	14.1
133.10129	23.6
135.08105	2.8
135.11700	4.8
137.09605	3.7
143.08545	4.8
145.10129	14.9
147.11691	12.5
149.09615	6.8
149.13283	4.2
151.11244	1.6
155.10652	1.8
157.10138	3.1
159.11697	9.3
161.13271	5.5
163.11256	2.4
167.05574	2.1
169.10124	2.9
171.11685	2.4
173.11746	8.9
173.13286	4.6
175.11067	1.3
175.14903	1.6
177.12775	3.1
179.14354	11.8
185.13260	2.2
187.11151	1.4
197.13313	1.5
201.67427	1.3
211.13159	1.9
219.17418	2.3
229.14360	1.7
229.19376	1.8
239.18010	1.4
247.20544	2.2
257.18976	7.0
275.20065	51.1
276.20441	1.4
293.20978	3.8
299.06171	3.1
349.23862	2.3
417.66544	1.3
434.01886	1.3
503.29349	19.3
503.34137	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	503.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01864	5.2
55.05507	19.3
57.03432	2.2
57.07060	5.1
57.26158	1.2
65.03930	1.4
67.05500	28.0
68.99770	2.8
69.03425	100.0
69.07062	17.9
71.01316	2.8
71.04991	2.4
71.57754	2.0
79.05013	1.6
79.05484	23.5
81.03408	17.6
81.07049	55.4
83.04963	4.2
83.08622	10.8
85.02895	11.0
85.06525	1.3
87.00827	4.3
91.05464	26.2
93.07037	50.4
95.04966	14.6
95.08601	53.2
97.02909	6.6
97.03441	1.2
97.06503	4.4
97.10151	4.4
98.86845	1.2
99.04456	3.0
103.05508	1.4
105.07030	39.1
105.25088	1.1
107.04966	6.0
107.07866	2.5
107.08586	41.8
109.02863	4.3
109.06531	11.0
109.10152	33.0
109.10754	0.8
111.04445	7.0
111.08067	8.5
115.05422	1.7
117.07015	7.7
119.08570	35.2
121.06503	6.9
121.09298	2.4
121.10132	25.9
123.04440	5.6
123.08076	8.8
123.11697	11.5
125.09646	1.9
126.08043	1.2
127.03890	6.5
128.06224	2.6
129.07021	3.6
130.07820	1.8
131.08560	18.1
133.06485	2.5
133.10123	26.6
135.08052	4.4
135.11678	19.2
137.05954	5.7
137.09607	11.9
137.13219	5.8
139.11192	1.9
142.07773	3.4
143.08569	8.8
145.06487	2.7
145.10120	19.8
147.08043	5.5
147.11681	18.9
149.09595	5.1
149.13239	17.3
151.11159	4.7
153.12753	1.3
153.84090	1.3
155.08521	2.4
156.09305	1.4
157.09004	1.6
157.10124	9.6
159.02895	2.9
159.08044	5.7
159.10416	1.9
159.11659	14.6
161.09648	9.4
161.13254	11.6
163.11179	4.0
163.14798	6.5
165.09174	2.0
165.12704	3.9
169.10094	3.7
171.08051	1.6
171.11684	4.9
173.09624	2.6
173.13266	8.8
175.11185	3.8
175.14793	6.4
177.09135	1.8
177.12733	2.3
177.16348	2.4
179.10704	3.0
179.14296	1.8
183.11688	3.1
185.09578	2.3
185.13258	4.5
187.11166	1.8
187.14799	7.6
189.12805	1.6
189.16371	5.6
191.17834	1.3
193.12141	2.0
193.15791	1.9
195.11703	2.1
199.11296	1.5
199.14830	4.0
201.03871	2.7
201.12775	2.0
201.16400	4.1
203.14249	2.2
203.17958	5.2
207.17458	1.6
211.14865	2.4
213.16292	3.7
215.14371	2.5
215.17921	5.0
217.19510	2.2
221.19054	3.1
225.16341	2.4
227.17924	3.1
229.19547	1.9
239.17780	1.9
241.19426	1.6
243.20975	1.3
269.22467	2.2
271.24161	3.5
283.24185	1.7
285.25763	3.9
289.25421	3.5
295.24261	3.7
297.22263	1.3
297.25699	1.8
303.26840	2.1
311.27829	1.4
313.25256	4.7
315.26355	1.3
331.26175	6.2
339.26822	1.9
343.26382	1.8
349.27539	7.3
363.26968	3.0
371.29266	1.6
381.27914	9.1
399.28992	20.6
417.30203	9.9
435.27432	5.8
467.27783	2.4
485.28998	11.9
503.30057	36.0
504.30249	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	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71041	1.0
52.33526	1.0
53.03952	0.9
57.03431	1.9
57.65356	1.0
59.74890	0.9
63.48322	1.2
65.01501	0.9
69.03423	2.2
70.70860	2.3
70.71259	1.8
79.05490	1.6
79.59357	1.2
81.07047	2.0
85.02901	6.9
91.05470	4.1
93.07037	1.6
94.04166	2.9
97.02902	1.8
98.21399	1.2
103.05446	1.9
105.07025	7.3
109.06512	2.1
115.05424	2.5
117.06982	1.5
119.08594	2.2
122.03631	9.0
128.06261	1.7
129.06976	1.3
131.04919	1.7
132.05746	1.6
133.06479	4.1
137.05966	100.0
143.04933	1.3
145.06505	1.6
147.04425	1.2
147.08055	4.1
149.06006	1.2
150.09674	1.1
159.08087	2.4
160.05203	1.3
161.05992	12.5
175.07545	26.8
184.05176	1.5
187.07480	8.1
190.07779	2.0
190.79083	1.1
191.08542	6.0
199.07541	9.3
202.07703	3.2
203.08461	6.6
219.08014	10.7
220.08865	1.5
231.08022	7.5
236.08223	1.2
236.22173	1.3
247.07596	3.0
248.08324	2.7
249.09158	1.2
251.10643	9.1
255.06375	2.1
259.07562	2.7
260.08139	1.5
263.10657	3.2
265.08466	1.6
275.07275	1.3
276.07730	1.5
277.08554	2.3
279.10086	9.4
291.10101	8.8
292.10870	3.0
292.47079	1.1
295.13297	1.5
308.10480	1.0
311.12720	21.5
323.12723	14.4
527.99176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97516	1.1
68.51682	1.1
69.03427	3.4
69.95043	6.9
79.05492	2.6
81.07051	2.7
82.00613	0.9
85.02927	5.5
91.05473	3.9
94.04185	3.1
95.04978	1.4
95.08633	1.3
96.85085	1.1
103.05473	1.7
105.07021	6.9
109.06503	2.4
115.05465	5.2
119.04875	1.5
119.08598	2.2
122.03642	6.4
128.06247	1.8
129.06975	1.2
131.04884	2.4
132.05759	2.0
132.06996	1.1
133.06497	5.0
137.05969	100.0
138.06358	1.3
145.06461	1.5
147.08051	2.8
147.11630	1.4
147.88922	1.1
149.06004	1.8
159.08054	3.2
160.05179	1.7
161.05992	13.3
164.99109	1.3
172.05196	1.8
175.07529	27.9
187.07520	7.4
190.07802	1.5
191.08565	5.6
199.07565	8.0
201.29190	1.2
202.07727	2.2
203.08525	5.2
208.08749	1.3
218.07231	1.6
219.08047	10.4
220.08754	1.8
229.80908	1.2
231.07968	6.8
232.08852	1.6
236.08345	2.1
247.07591	3.8
248.08199	2.7
249.08617	1.2
251.10706	11.6
255.06555	2.5
259.07605	3.8
261.09204	2.0
263.10617	2.4
264.07895	1.3
269.35672	1.3
277.08777	1.4
279.10172	9.9
291.10217	8.6
292.10904	5.2
293.08392	1.9
311.12769	20.3
323.12820	14.2
503.20297	1.5
521.91754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01883	1.5
57.03424	1.7
61.02909	1.7
66.04713	1.0
69.03146	0.7
69.03435	7.2
70.73051	1.9
71.04984	0.9
79.05480	1.9
81.03413	3.6
81.07043	2.0
85.02895	14.6
85.03371	1.4
87.04466	1.0
91.03948	1.2
91.05459	4.4
93.07025	0.9
94.04172	3.5
95.04979	1.2
97.02887	4.9
99.04499	0.8
103.05465	3.5
105.07052	3.1
107.04916	0.9
107.08562	0.9
109.02873	2.6
109.06515	2.6
109.10162	0.8
113.49871	0.7
115.05454	4.0
115.57785	0.6
119.04935	0.8
119.08546	2.6
122.03648	6.2
127.03890	2.7
128.06218	1.9
129.06982	1.9
131.04915	5.2
132.05688	2.3
133.06453	2.9
135.04361	0.7
137.05971	100.0
138.06274	1.0
141.06984	1.5
144.05618	0.8
145.04929	1.6
145.06465	0.9
146.03650	1.3
147.04335	0.9
147.08014	3.6
149.05980	1.5
151.03889	0.8
155.04913	0.8
155.06064	0.7
156.05705	0.9
159.08076	2.6
160.05170	2.3
161.05988	10.7
163.07549	6.6
171.08060	1.3
175.07539	31.9
176.07851	0.7
184.05196	2.6
186.06752	0.7
187.07541	6.2
190.07764	1.4
191.08598	5.2
192.09430	0.7
199.07539	14.2
201.09106	1.0
202.07771	5.2
203.08551	7.8
205.06482	1.0
214.07626	0.8
218.07249	1.2
219.08022	7.3
220.08850	3.7
221.09669	0.9
230.07161	1.0
231.08037	11.0
231.22000	0.7
232.08775	2.3
233.09647	1.1
237.09016	1.2
247.07550	2.7
248.08316	5.3
249.09065	1.8
251.10649	7.7
258.06696	0.8
259.07520	7.8
260.08255	2.3
261.08963	1.6
263.10687	6.0
265.08560	1.4
275.07050	0.9
276.07755	3.2
277.08679	3.2
279.10117	7.4
291.10138	13.4
292.10803	5.4
293.08118	1.3
295.10034	0.6
295.13272	2.9
307.09702	0.7
308.10516	2.1
311.12735	13.7
323.12756	23.8
324.13116	0.7
325.14340	1.1
503.19104	0.9
503.31790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36707	0.5
60.85503	0.5
67.05506	0.9
70.93602	0.8
70.93930	0.7
79.05486	0.7
81.07046	1.2
91.05477	1.1
95.66405	0.5
99.65810	0.5
105.07069	0.6
107.08609	0.6
109.10188	0.6
117.06986	0.5
119.08601	0.8
126.91379	0.5
144.00061	0.5
145.10234	0.5
195.09959	0.7
233.15660	0.5
250.26717	0.6
273.14737	0.6
445.25659	1.7
501.28210	100.0
502.28415	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	502.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.9
65.17303	5.8
67.05511	79.5
69.03424	6.7
69.07057	17.5
71.57977	6.5
79.05513	36.4
80.18153	5.7
81.07057	100.0
83.08611	8.0
85.02900	17.0
91.05482	17.0
91.92322	6.1
93.07049	42.1
95.08604	76.3
97.02860	8.3
97.10159	7.7
105.07023	21.6
107.08611	29.3
109.10156	50.9
118.14438	5.8
118.15453	6.4
119.08575	10.3
121.10152	22.2
123.11700	20.9
128.69777	5.7
131.08575	12.3
133.10124	11.5
135.11694	19.2
136.37192	6.0
145.10110	17.5
147.11705	9.7
149.13226	5.7
159.11658	9.1
159.40465	6.4
161.13269	8.0
167.05637	5.8
173.13261	10.6
197.06555	8.1
224.17867	5.9
243.21066	18.7
259.31171	6.9
261.22202	35.0
323.25809	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	501.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24231	4.2
52.55394	4.4
53.03932	7.4
55.01866	13.8
55.05490	4.4
57.03427	26.0
65.03903	5.3
65.17743	4.7
67.05483	23.0
69.03414	13.1
69.07056	12.6
70.06576	6.9
70.49321	4.6
70.49640	15.5
71.01333	20.5
71.04974	8.1
73.02897	21.4
75.04478	4.9
79.05486	29.2
80.96549	4.2
81.03380	4.3
81.07043	43.4
83.04964	21.1
84.70107	4.5
85.02901	52.1
86.09711	5.0
91.05473	36.3
93.07037	78.0
95.04961	53.0
95.08601	11.4
97.02876	15.2
97.06535	36.3
99.00829	5.8
99.04436	10.2
101.02364	10.6
103.03941	15.9
105.07027	82.2
107.04945	8.6
107.08579	40.3
109.06487	29.0
111.08053	5.0
113.02364	15.1
113.05971	5.6
117.05483	6.5
117.06989	9.5
119.04929	19.0
119.08556	33.7
121.06491	22.5
121.10133	7.1
123.04409	10.9
125.05998	23.6
127.07530	12.2
129.06978	5.9
130.07784	7.7
131.03378	15.8
131.08563	15.1
133.06494	10.3
133.10136	13.4
135.11696	6.5
137.05997	25.3
137.09572	4.7
139.07509	14.5
141.01839	14.6
141.05391	6.1
143.07043	13.5
143.08611	11.2
145.06584	7.1
145.10117	84.4
147.08034	5.8
147.11682	100.0
151.07446	8.0
155.07135	5.5
157.08572	10.6
159.02856	8.6
159.08078	5.5
159.11711	21.1
161.09663	5.0
161.13254	13.1
163.11205	44.9
169.10103	10.5
171.11650	6.4
173.09616	37.2
187.11165	59.7
189.12706	16.1
191.10693	24.7
197.09619	9.7
205.12216	44.1
207.06526	4.8
207.13806	22.7
209.11729	11.0
215.05467	5.6
215.10657	62.0
223.13243	5.5
233.11700	48.0
251.12756	29.0
307.15256	7.2
315.85123	4.7
322.18619	5.0
369.73798	4.6
501.19330	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01863	8.1
55.05503	9.2
57.02817	3.3
57.03425	23.9
65.03941	4.3
65.41743	3.5
67.05479	21.0
69.03425	12.7
69.07056	10.7
69.37907	38.3
71.01341	19.6
71.04996	7.6
73.02913	32.2
79.05504	21.0
81.07060	30.1
81.25008	3.2
83.04966	20.6
84.04458	3.6
85.02898	49.5
85.06548	7.1
87.58266	3.8
91.05466	24.1
93.07043	44.4
94.06551	3.8
95.01309	6.3
95.04939	33.4
95.08559	8.3
97.02880	8.4
97.06516	21.7
99.00854	3.8
99.04444	14.3
101.02381	11.8
103.03951	14.7
103.05454	3.9
103.64074	3.5
105.07022	67.8
107.04976	8.8
107.08588	33.0
109.06509	30.8
111.04393	5.9
111.08105	4.6
113.02349	15.7
116.06342	3.5
117.07010	20.4
117.07726	4.2
119.04955	14.5
119.08596	22.1
121.06454	19.8
121.10152	5.4
123.04443	4.4
125.05984	24.2
127.07539	11.8
129.06931	6.8
130.07745	8.3
131.03389	9.4
131.08546	21.9
133.06447	14.0
133.10126	8.7
135.11707	7.6
137.05992	25.3
139.07607	5.0
141.01796	10.6
141.05502	5.5
143.07030	16.1
143.08565	7.8
144.09328	7.8
145.06461	8.6
145.10115	100.0
147.11668	19.6
149.09599	6.4
151.07523	10.4
155.06970	3.9
155.08514	4.1
157.08528	4.2
159.02869	4.8
159.08022	8.9
159.11688	35.0
163.11166	42.3
169.10107	14.4
171.07901	3.7
171.11707	4.7
172.08835	5.3
173.08270	5.4
173.09618	39.6
177.12762	7.6
187.11168	70.8
189.12729	9.5
191.10677	33.8
197.09531	10.7
205.12234	63.4
207.13649	4.3
209.11740	16.5
215.10680	80.6
223.13153	6.0
233.11711	57.8
251.12724	40.1
307.15350	12.5
325.16364	13.1
333.13257	4.8
457.23859	4.1
465.17319	4.2
483.18951	4.8
501.19357	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64916	2.2
55.01872	2.7
55.05507	3.8
56.05030	2.2
57.03438	2.3
57.07062	5.6
59.04991	2.2
59.69655	2.2
63.75652	1.9
63.97296	1.8
66.15212	2.1
67.05494	7.7
68.01374	2.5
68.05038	2.7
69.03411	3.2
69.07069	5.3
71.57812	4.4
72.96750	1.8
76.25095	2.2
79.05484	9.0
81.07059	13.6
83.04971	3.8
83.08604	3.1
84.04499	5.3
85.02909	5.9
85.06537	2.7
86.02480	2.0
87.04456	2.5
91.05476	19.8
93.07050	14.9
94.02946	2.5
95.04961	8.9
95.08608	9.7
95.38317	2.5
96.04488	6.7
96.08888	2.1
97.02874	2.4
97.06531	4.8
105.07034	33.1
106.06547	3.6
107.08578	11.0
108.04526	1.9
108.08138	2.8
109.06489	5.9
109.10146	2.7
112.03947	9.0
114.01881	7.5
115.05463	5.7
117.07015	29.8
119.08576	28.8
120.08077	4.4
121.06552	3.3
121.10139	6.6
123.08074	8.3
124.03937	3.7
125.06050	2.5
128.03438	2.6
128.06297	4.3
129.06995	8.9
130.05031	4.1
130.06522	2.6
130.07776	4.7
131.08565	9.5
132.08086	5.2
133.10144	13.2
134.06001	2.8
134.09630	2.3
135.08046	6.2
137.09604	4.5
138.01880	4.0
140.03442	10.1
142.07764	9.1
143.08513	11.7
144.08113	6.4
145.06483	2.3
145.10118	27.6
146.06055	3.0
146.09718	3.2
147.08038	10.2
147.11714	3.1
148.07564	6.4
150.05446	3.1
151.07513	8.7
153.09079	2.4
155.08565	4.7
156.09363	4.8
157.10086	17.9
159.08060	6.0
159.11685	4.8
160.07523	3.4
161.09575	4.2
162.05438	2.0
163.11145	3.6
164.06973	3.3
165.09119	10.8
166.04959	2.7
169.10130	9.6
171.11711	11.1
173.09604	4.0
173.13237	5.1
175.11162	4.3
176.07137	3.0
178.04980	10.6
179.08704	2.6
181.10071	3.9
181.12206	4.3
182.10992	2.6
183.11682	7.0
185.13158	2.5
187.11082	2.8
188.05557	4.3
189.12787	3.4
190.08751	2.5
192.06587	4.8
195.11737	4.0
196.11223	2.6
197.13261	8.7
199.11217	5.9
200.07034	2.7
203.14236	3.3
204.06583	2.2
207.11731	3.5
207.13837	3.0
209.13155	3.7
214.07092	11.3
218.08105	4.9
221.13414	3.7
221.15434	11.9
223.14859	4.5
225.12787	3.6
239.17996	4.1
243.13786	4.1
250.07098	2.8
252.08675	8.4
254.10364	2.6
266.10229	31.4
278.10226	2.8
280.11752	3.7
281.19034	4.8
292.11743	19.6
299.20044	100.0
300.20465	3.6
307.20654	3.1
325.21585	15.7
332.14908	2.3
371.34897	2.4
420.20352	3.3
473.76007	2.3
482.25406	4.8
500.26672	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	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01868	4.6
55.05505	31.2
57.03433	31.0
57.07072	9.1
61.02927	55.0
65.03929	3.2
66.92471	2.0
67.05502	89.2
69.03426	37.7
69.07068	39.6
70.40799	7.7
71.01348	6.7
71.04990	6.5
71.08624	4.7
73.02912	32.0
75.04493	2.5
79.05491	37.2
81.03419	26.6
81.07052	100.0
83.04974	8.2
83.08615	22.9
85.02897	63.6
85.06534	3.2
85.10177	2.8
87.04459	4.5
91.03953	35.2
91.05477	28.2
93.07037	38.0
95.04972	8.4
95.08604	76.2
95.37401	1.9
97.02892	50.7
97.06541	7.0
97.10177	12.0
99.04483	9.8
99.08109	4.2
101.02378	14.7
103.03957	6.8
105.07014	20.4
107.08594	22.5
109.02851	9.7
109.06516	4.7
109.10155	33.6
111.04437	3.2
111.08067	3.6
113.09657	2.8
115.03866	4.7
117.05509	3.3
117.07011	5.0
119.08561	14.7
121.06552	3.2
121.10135	19.1
123.08045	3.1
123.11716	14.4
125.09640	4.2
127.03909	18.6
127.11252	3.6
129.05444	5.5
129.06949	3.0
131.08569	8.5
133.06456	2.5
133.10130	14.2
135.11700	10.3
137.09599	2.8
137.13235	6.6
143.08572	3.0
145.04968	6.9
145.10146	8.2
147.08134	2.4
147.11679	8.5
149.13277	10.8
151.14873	4.2
159.06548	3.1
159.08008	3.1
159.11716	3.5
161.13277	11.1
163.14818	8.0
165.12784	2.8
171.11670	2.9
172.76100	1.9
173.13271	2.6
175.14853	8.3
177.12733	2.2
177.16516	2.3
179.14355	3.0
183.06532	6.2
185.13283	2.0
187.14796	2.1
189.16418	2.6
201.07480	2.2
223.14832	1.9
245.22629	12.6
263.23648	20.4
269.17313	2.6
270.17770	2.4
305.24689	2.6
317.24805	3.4
318.67230	2.3
319.26535	2.8
320.41226	2.5
324.29141	2.2
325.87927	2.1
337.27347	75.6
343.74704	2.2
347.25830	2.6
365.26703	4.2
371.25726	4.6
371.73312	2.0
389.26553	3.0
464.30991	7.2
481.31473	5.2
499.32565	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	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.8
55.01860	7.8
55.05507	29.0
57.03435	33.2
57.07065	8.8
61.02924	78.2
63.02351	2.4
64.86470	2.3
65.03918	4.0
67.05502	95.4
69.03427	41.8
69.07066	39.9
69.35814	11.8
69.36250	10.8
71.01346	5.7
71.04993	6.7
71.08611	4.4
73.02914	38.4
75.04504	2.6
79.05495	32.3
81.03418	27.4
81.07056	100.0
83.04989	5.0
83.08613	22.0
83.33050	2.4
84.61969	2.4
85.02897	77.2
86.09728	2.9
87.04457	4.7
91.03950	50.4
91.05466	20.0
93.07043	37.9
94.27333	2.4
95.04961	6.0
95.08603	79.6
95.11571	2.3
97.02890	61.6
97.06526	6.3
97.10157	12.5
99.04443	12.0
99.08133	4.2
101.02381	18.0
103.03914	8.7
104.10748	3.9
105.07021	20.0
105.11124	3.1
107.04948	3.1
107.08598	19.7
109.02841	12.9
109.06504	5.8
109.10147	36.8
111.08099	2.7
111.11728	4.2
113.09678	3.0
115.03956	4.9
117.05503	3.3
117.07053	2.8
119.08552	15.1
119.48085	2.4
121.10136	16.0
123.11716	14.2
125.09594	3.6
127.03909	29.1
129.05464	5.5
131.08546	4.1
133.10121	15.9
135.11676	11.9
137.13277	6.5
145.04953	9.8
145.10101	4.4
147.11728	11.8
149.13220	7.4
151.14818	3.7
159.11650	3.2
161.13231	8.3
163.14839	7.1
171.06447	3.1
175.14821	7.9
177.16389	3.3
183.06552	8.1
189.16379	4.0
201.07532	3.1
245.22636	10.2
262.53937	2.3
263.23682	18.8
267.12061	2.9
337.27350	96.3
365.26608	4.0
379.28845	3.0
381.96545	2.9
481.32004	3.1
499.32651	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
55.05502	6.9
56.96556	2.7
57.03434	8.3
59.04996	1.6
59.64927	1.8
61.02905	2.6
67.05501	33.7
69.03426	6.0
69.07066	7.5
70.06580	2.4
71.04990	9.0
71.57420	3.4
73.02914	1.8
79.05485	13.5
81.03430	2.6
81.07053	56.7
83.04978	4.6
83.08611	7.3
84.04480	1.6
85.02898	10.8
85.06554	6.5
91.05472	15.3
91.39818	1.7
93.07040	23.8
95.01312	2.8
95.04975	3.3
95.08586	9.3
97.02890	3.2
97.06523	5.9
97.10184	1.8
99.08097	3.8
105.07028	6.8
107.08568	8.6
109.02871	1.6
109.06534	2.4
109.10149	8.5
111.08073	3.6
117.07018	6.7
119.08615	2.5
121.06541	2.5
121.10133	4.7
123.11687	10.0
127.03869	1.9
127.11199	9.8
128.03415	2.7
131.08583	5.7
133.10109	13.2
135.11662	4.8
139.07597	1.6
149.13261	15.2
151.11186	4.4
159.11674	24.5
161.02168	2.0
161.13258	3.0
167.07062	2.0
171.11732	2.3
177.12746	35.6
179.14323	7.0
187.13298	7.2
195.13844	5.4
197.15407	2.4
198.11307	6.0
206.66422	1.6
214.75142	1.6
215.14555	1.7
215.16464	4.5
243.15912	38.1
251.16422	10.5
267.11179	2.0
269.17462	100.0
270.13278	4.4
270.17664	3.1
301.19980	12.4
313.11945	8.4
373.13953	25.7
445.24240	4.8
461.14661	2.0
466.19623	1.9
498.19760	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	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32585	2.1
55.01848	3.4
55.05513	13.6
56.96556	4.0
57.03433	7.1
57.07060	4.1
59.04991	3.5
60.30086	2.5
61.02924	4.2
67.05215	2.5
67.05508	21.7
69.03405	8.6
69.07075	20.5
70.06590	3.5
71.04984	4.5
71.24377	5.1
72.08155	2.9
73.02889	2.7
79.05473	8.3
81.03407	8.3
81.07046	22.2
83.08613	4.3
84.24087	2.1
84.38542	2.2
85.02896	18.9
85.06538	3.0
87.00832	3.3
91.05463	7.1
93.07014	7.4
95.04981	4.4
95.08598	6.2
97.02874	7.3
97.06498	3.4
97.10161	19.0
99.04475	2.3
105.01868	5.5
105.06997	5.3
107.08591	5.2
108.04462	3.7
109.02879	6.8
109.10153	29.0
115.11198	10.4
119.08561	4.9
121.10123	3.3
123.11716	3.1
127.03899	7.8
127.10300	5.2
127.11192	79.5
129.12691	2.6
130.06523	2.7
131.08589	3.9
133.10115	5.5
145.04886	3.2
145.10133	3.5
145.12225	9.5
148.07506	3.1
159.11705	4.0
163.55925	2.5
177.12747	7.5
179.14317	4.4
197.47446	2.7
211.08630	7.4
225.10139	5.6
233.17441	10.1
239.11830	12.1
243.15900	12.6
252.08847	3.4
253.09579	3.0
267.11252	12.9
269.17499	27.5
295.10620	8.1
313.11816	41.3
313.15701	3.6
341.11353	9.4
373.13950	100.0
436.19748	5.4
498.19617	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	497.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65306	0.4
70.06597	0.6
71.01328	1.1
71.01703	0.9
72.08138	0.6
76.58833	0.4
85.02883	0.6
86.09682	0.9
93.07065	0.5
95.04942	0.5
138.56233	0.4
212.93671	0.4
219.56384	0.5
231.13672	0.7
249.14671	1.9
267.14413	0.8
277.14038	0.7
289.05249	1.5
366.60297	0.5
383.79877	0.5
393.18741	0.8
411.19821	7.9
419.63812	0.5
435.19812	1.2
453.20920	33.4
454.21155	0.7
497.19910	100.0
498.20050	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.5
55.05503	1.4
56.96561	1.3
57.03445	2.0
61.02906	1.8
61.62799	1.0
67.05491	1.7
69.03427	7.2
69.23091	6.1
69.23520	5.9
70.06590	4.0
71.04969	1.0
72.08144	0.9
73.02911	1.6
79.05519	1.4
79.88474	1.0
81.03417	4.0
81.07053	2.8
83.04990	1.9
85.02908	8.4
86.09693	1.3
87.04498	1.1
91.05472	3.6
93.07050	3.2
94.96303	1.1
95.01371	1.9
95.04950	2.1
95.08581	1.2
97.02902	2.8
98.97586	1.8
105.07025	3.4
107.08606	3.4
109.02882	3.1
109.06544	1.8
111.04460	1.0
113.02339	1.4
116.98599	1.2
117.07011	1.2
119.04881	1.4
119.08586	3.4
120.08078	1.6
121.06499	3.0
121.10143	2.1
125.50480	0.9
127.03910	2.3
129.07021	2.1
130.06572	1.3
131.08589	2.9
133.10167	2.9
134.99670	1.6
135.08040	1.7
136.07632	2.0
137.05949	6.5
143.08618	1.8
145.10197	2.2
145.15265	1.2
147.11702	1.2
149.05994	1.1
149.09645	1.6
158.06099	1.0
158.10979	1.0
159.07999	1.8
159.11717	2.6
161.09685	1.9
170.10957	1.1
173.09712	3.6
173.13252	5.7
175.11223	3.5
177.05554	1.8
183.11694	1.1
186.10431	3.1
187.11189	9.4
190.13521	2.5
191.07129	1.6
197.01228	1.4
198.06503	1.1
201.12729	9.3
211.11232	2.2
219.14009	1.5
229.12238	13.6
231.13609	1.1
247.13353	2.5
249.14645	6.5
277.14227	2.7
289.05484	2.0
321.17093	4.4
341.09177	1.0
393.19012	2.0
411.19907	13.4
433.16641	1.9
453.21194	27.6
497.20010	100.0
498.20151	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	497.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83974	0.6
69.33389	5.0
78.99841	0.6
80.46577	0.5
85.46830	0.5
93.98153	0.6
95.48087	0.7
98.69054	0.5
98.69788	0.5
100.02467	0.9
101.00870	1.9
104.01952	0.7
111.04067	0.9
118.03486	4.7
119.01904	5.8
127.02692	0.6
127.03556	2.2
129.05083	7.5
130.03505	2.3
131.01924	3.2
136.04547	5.7
137.02965	0.9
142.03494	0.6
143.01907	4.7
144.03792	0.7
145.03442	3.5
145.04578	5.4
147.06136	8.5
148.04562	3.1
154.03525	2.2
155.01871	3.0
155.03062	1.6
156.05022	1.0
157.03445	1.6
160.04556	1.4
161.02946	5.4
167.01849	0.8
169.03406	1.0
171.06198	2.1
172.04533	13.6
172.15164	0.6
173.02901	3.3
173.04135	18.4
174.05965	0.7
180.01418	2.7
183.06151	0.7
185.02925	9.1
187.04539	1.0
190.05609	3.0
191.05130	20.1
197.02942	3.3
197.04337	1.4
198.02519	3.1
200.04138	0.8
202.05780	0.7
203.04010	2.8
214.05606	0.9
215.05132	100.0
216.03522	3.8
216.05336	2.3
226.05544	0.7
227.05183	18.8
228.03554	0.9
233.06163	2.1
239.05112	4.6
245.05234	12.8
246.05023	0.6
251.05177	1.7
257.06366	2.8
259.07822	0.8
263.06061	2.5
269.06195	2.2
275.07260	15.4
281.06067	1.1
287.07291	1.1
293.07217	0.8
299.07266	2.1
300.05698	1.0
305.07199	1.6
317.08295	19.4
317.11880	0.7
327.03638	0.7
335.09317	9.0
365.09277	1.2
377.10315	0.9
407.11499	1.3
452.81003	0.6
497.14551	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	497.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05503	1.9
55.36102	1.1
67.01860	10.1
67.05494	4.2
68.99784	7.7
69.03419	3.3
69.07066	2.1
71.57893	2.5
77.03927	1.9
79.05480	5.6
81.03429	3.0
81.07052	6.6
83.01306	1.1
83.04993	1.5
85.02905	1.7
91.05481	8.2
93.03398	1.1
93.07043	4.0
95.04945	3.4
95.08563	3.2
95.51723	1.2
97.02881	2.3
103.05474	4.0
105.07029	9.3
106.04186	2.5
107.04964	3.9
107.08577	1.9
109.10149	2.4
111.00811	3.6
115.05441	2.0
116.98657	1.2
119.04936	2.7
119.08582	2.9
121.06518	4.7
121.10133	1.5
123.04418	3.6
125.02375	1.4
127.03922	2.1
129.01826	1.5
129.06949	2.2
131.04935	8.8
131.08543	1.6
132.05675	8.0
133.02821	2.9
133.06496	7.4
133.10168	1.9
134.90007	1.2
135.04390	3.8
137.05960	1.7
139.03856	1.6
140.04691	1.4
143.08531	1.3
145.10133	2.4
147.04387	5.1
147.11612	1.8
149.02368	1.9
149.05983	6.2
151.03925	3.0
151.07594	1.7
153.01820	100.0
153.09154	1.7
154.06224	3.3
159.04427	3.3
160.05203	3.7
161.05966	18.1
162.06703	1.2
163.03917	2.5
165.05515	2.5
167.07048	22.9
171.02879	55.5
171.04085	2.1
173.05937	2.4
175.03928	3.1
177.05473	7.7
179.03392	25.5
179.07051	2.8
180.07777	7.2
181.08627	2.7
182.09450	7.2
187.03873	5.7
191.07053	3.8
192.07784	13.1
193.08601	18.8
201.05362	3.2
203.03394	9.2
209.08089	11.7
210.08846	18.8
213.05496	2.3
217.04884	2.3
229.04880	1.6
230.05292	1.4
231.06450	2.2
241.04984	2.3
259.05893	2.7
269.04477	3.9
287.05493	13.6
299.05496	2.1
313.07065	12.5
320.31851	1.2
325.06769	1.4
343.08023	6.2
351.67178	1.4
371.11322	2.0
447.09915	3.3
467.12650	2.4
479.12936	1.7
497.14285	8.5
497.26733	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	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
55.32984	0.2
56.05035	1.3
57.03437	0.5
57.07074	3.4
58.06577	1.5
59.07344	0.3
60.08162	18.6
65.50323	0.2
67.05502	0.9
69.07059	0.6
69.60062	1.7
70.06569	0.3
71.07372	6.6
71.08633	2.3
81.07046	0.9
83.08614	0.6
85.10197	0.8
86.09702	53.3
87.10017	0.4
89.06004	0.2
94.67102	0.2
95.08588	1.3
97.10154	0.2
98.98457	4.0
104.10740	100.0
105.07011	0.3
105.11066	0.8
109.10147	0.4
124.99998	29.7
134.33917	0.2
143.00998	0.3
156.34877	0.2
163.01514	0.7
165.05913	0.2
166.02655	0.3
184.07332	96.9
185.07645	0.9
193.19424	0.2
258.10995	1.1
313.27325	1.8
389.04114	0.2
394.44070	0.2
419.25629	0.5
452.77325	0.2
478.26056	0.5
478.32910	7.8
479.32758	0.3
496.33951	19.5
497.34189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05040	0.6
57.03431	0.3
57.07072	0.7
58.06635	0.5
59.07425	0.2
60.08160	5.8
61.02886	0.2
62.34940	0.1
67.05499	0.5
68.42403	0.1
69.07057	0.3
71.07375	2.9
71.08632	0.4
71.58200	0.2
71.94512	0.2
79.05505	0.3
81.07063	0.5
83.08636	0.2
85.10191	0.3
86.09702	31.3
87.10021	0.3
93.07063	0.3
95.08594	0.4
98.98466	2.9
104.10740	2.8
109.10154	0.2
111.07465	0.1
124.99999	20.8
143.01044	0.5
156.79778	0.2
166.02650	0.2
184.07332	100.0
185.07712	0.8
185.51563	0.2
194.79889	0.1
206.59268	0.2
211.46281	0.2
258.11044	0.2
313.27371	0.3
353.64600	0.2
467.00269	0.2
478.32867	0.8
496.34106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01870	6.9
55.05512	23.8
55.32203	1.9
56.13910	1.9
57.03436	15.8
57.07069	3.1
61.02930	19.3
65.03941	2.3
67.05499	41.7
67.57999	2.2
69.03430	11.4
69.07063	21.8
69.55962	11.4
69.56384	6.3
71.04990	7.1
71.77036	2.2
73.02911	7.8
77.37177	2.1
79.05493	40.6
79.05919	4.2
81.03416	9.5
81.07053	100.0
83.04972	7.2
83.08608	7.1
85.02893	22.3
85.06540	5.0
91.03967	14.9
91.05473	42.5
93.07047	33.2
95.04987	10.2
95.08602	28.8
97.02889	14.5
97.06529	6.0
97.10149	3.5
99.04507	2.5
99.08086	3.8
101.02388	2.5
102.25394	1.9
103.03941	4.9
103.05468	2.1
105.07024	54.9
107.04992	4.3
107.08592	22.4
109.06525	6.6
109.10165	7.7
111.04449	3.7
111.08112	2.1
117.07008	14.0
119.08574	44.9
119.09359	3.6
121.06530	2.5
121.10137	27.1
123.08100	3.0
123.11686	21.6
127.03940	5.5
128.06174	2.4
129.06999	10.1
131.08568	20.7
133.10100	17.3
135.08067	2.8
135.11681	10.7
141.06985	4.4
143.08530	11.8
145.04932	4.1
145.06500	2.5
145.10094	14.0
147.08034	3.8
147.11687	59.5
149.13263	5.3
155.08551	7.5
157.10132	6.6
159.08105	5.5
159.11713	9.0
161.09581	4.5
161.13277	8.6
165.12746	27.0
167.01886	2.3
169.10097	5.3
171.11697	8.2
173.09540	2.8
173.13290	7.1
175.11276	3.3
182.79501	2.3
183.11723	3.5
183.13794	2.8
185.09599	2.5
185.13284	7.2
195.11691	3.3
199.14735	3.2
221.83101	2.3
229.14409	2.9
241.19539	5.1
259.20566	8.4
267.15903	22.9
285.17004	2.8
287.20166	2.6
289.21686	2.8
331.22778	2.4
333.24164	12.6
345.24100	2.6
361.23691	2.9
367.22659	7.0
375.25635	3.9
385.23514	3.2
403.24811	3.0
417.26450	3.1
421.25821	2.3
429.26727	3.7
441.26437	14.3
448.29770	2.5
459.27414	8.6
477.28760	11.5
495.29529	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01874	3.9
55.05511	21.2
57.03447	11.4
61.02915	11.0
67.05501	43.7
69.03427	8.5
69.07073	18.8
69.38774	11.4
69.39194	4.7
71.01350	2.1
71.04986	3.7
73.02920	7.0
79.05495	40.3
79.05935	1.6
81.03417	6.6
81.07059	100.0
83.04981	8.3
83.08623	9.9
85.02910	12.9
85.06554	8.6
91.03971	7.9
91.05478	41.9
91.06019	3.2
93.07044	32.1
95.04981	7.3
95.08607	29.6
97.02878	10.2
97.06535	7.1
99.08100	3.1
105.07028	52.1
107.04961	2.0
107.08601	23.0
109.02844	1.8
109.06521	4.6
109.10144	4.9
111.08092	2.1
117.07011	10.6
119.08578	43.5
121.06503	2.1
121.10147	27.8
123.08105	5.5
123.11713	33.0
125.09631	1.8
127.03920	2.3
127.07573	4.6
129.05502	3.3
129.06964	7.5
131.08565	12.7
133.06367	1.8
133.10115	11.3
135.08060	2.4
135.11681	6.0
137.09628	2.3
137.13295	2.3
143.08548	5.9
145.10143	11.9
147.11690	80.2
148.11978	2.3
149.09563	2.3
149.13306	4.2
155.08556	2.6
157.10165	5.4
159.08102	2.1
159.11736	4.8
161.13264	2.9
165.12764	32.6
167.08685	1.7
169.10188	3.6
171.11725	4.4
173.09575	1.6
173.13271	6.0
175.11127	2.1
181.10266	1.6
183.11800	2.4
183.13818	5.0
185.13225	3.2
187.14903	2.4
193.12271	2.3
195.11873	1.6
217.15952	1.7
229.14346	6.7
241.15883	2.0
257.18936	1.7
259.20670	4.3
267.15906	36.2
271.20627	1.9
277.21857	2.0
285.17007	3.3
295.20676	1.9
301.21603	2.5
325.21939	2.0
333.24228	7.9
337.55438	1.7
343.22766	1.9
357.24298	2.1
367.22784	3.4
375.25476	4.2
386.64667	1.9
417.26123	2.1
429.26303	2.5
441.26337	9.3
449.29099	2.7
459.27435	5.8
477.28522	10.6
495.29733	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05163	0.4
61.02919	0.6
64.07218	0.5
67.05477	0.7
69.03434	0.6
70.06584	1.8
70.29971	0.5
71.04996	0.7
71.57150	0.8
72.08162	1.0
75.11945	0.5
79.05478	0.7
81.03421	0.8
81.07073	0.6
85.02907	1.9
86.09695	1.3
91.05485	1.2
93.07045	0.5
97.02883	1.3
105.07065	0.9
107.08559	0.8
109.02846	0.7
119.08591	0.9
120.08073	0.6
120.19905	0.5
127.03955	0.7
130.08005	0.5
136.07571	0.9
137.05983	1.2
147.04335	0.8
149.09625	1.0
154.67534	0.5
157.10150	0.6
160.08609	1.0
211.42683	0.5
227.05275	0.7
247.13066	5.0
275.12534	3.5
301.03607	0.6
322.61325	0.6
333.05954	1.7
354.57941	0.5
409.18277	15.4
425.06049	0.5
433.18256	1.0
451.19376	30.5
452.19550	0.8
495.18353	100.0
496.18671	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1283
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.12307	0.3
51.42495	0.4
53.03920	0.7
55.05470	0.5
55.27092	0.3
67.05471	0.7
69.07055	0.5
71.30612	0.8
74.34489	0.3
79.05447	1.1
81.03376	0.4
81.07008	1.0
85.02904	0.4
91.05460	2.3
93.07008	1.3
95.04957	0.8
95.08578	0.5
102.04633	0.5
103.04901	0.3
103.05454	3.5
104.06245	0.4
105.03336	0.4
105.06992	1.1
107.04942	0.9
107.08546	0.5
109.10113	0.5
115.05374	0.4
117.03360	0.5
117.06963	0.6
118.04169	2.2
119.08532	0.5
121.06470	1.4
121.10054	0.4
123.04397	0.8
130.04173	1.6
130.04974	0.4
131.04913	4.4
132.05705	2.2
133.02797	0.7
133.06398	0.5
135.04367	1.3
137.02278	0.4
140.04657	2.8
145.06487	0.4
145.09993	0.4
146.03613	2.8
147.04399	0.7
148.05164	1.0
149.05954	0.9
151.03841	0.6
153.01823	6.7
153.05429	0.4
160.05177	1.0
161.05920	1.0
162.03110	1.1
163.03868	1.2
163.07578	0.5
166.06203	0.9
167.07016	1.6
171.02963	0.5
171.07953	0.4
173.06055	0.4
176.04695	2.3
177.05443	2.8
178.06219	3.6
180.07811	0.5
191.07019	4.7
192.07787	1.7
203.03387	7.3
213.05341	0.7
229.04945	6.7
241.04861	1.2
242.05714	10.9
244.69301	0.3
253.04860	1.6
257.04428	55.8
258.05206	18.8
259.05701	0.5
265.95236	0.3
266.38852	0.4
269.04434	2.1
270.05103	1.7
271.05963	2.7
283.05963	0.6
285.03900	9.4
286.04694	29.1
287.05457	21.1
288.05969	0.5
295.06100	0.5
297.03925	4.0
299.05560	2.0
300.06207	1.1
301.06906	0.7
313.07028	0.4
323.05258	0.4
327.04999	2.8
341.06546	3.0
387.08890	0.5
390.66238	0.3
403.08527	0.7
416.08923	0.5
419.07840	0.9
445.09406	0.5
447.07318	1.6
461.08371	0.7
462.09485	0.8
465.11859	4.4
477.11777	18.7
478.11807	0.5
495.12820	100.0
496.13092	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	495.1286
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03945	2.5
54.57306	1.2
55.01442	2.6
55.01862	5.0
55.05508	7.8
57.03448	6.7
61.02917	4.4
65.03960	1.9
67.05505	19.3
68.99791	1.4
69.03426	5.1
69.07056	6.2
71.04984	1.8
71.56988	1.8
73.02902	3.1
73.25134	1.6
78.04707	3.3
79.05489	19.4
81.03403	8.6
81.07056	22.6
83.04968	5.8
83.08615	5.6
85.02908	9.1
85.06529	1.6
89.03939	1.6
91.03963	3.9
91.05480	22.2
93.07039	19.2
95.04964	8.6
95.08602	10.7
97.02887	6.3
97.06519	4.1
97.10150	3.4
101.02348	1.5
103.05467	8.2
104.06255	3.8
105.03377	4.3
105.07035	18.3
106.04127	2.4
107.04945	15.9
107.08575	10.9
109.02891	2.5
109.06535	4.2
109.10191	7.3
111.04408	3.2
111.08095	1.7
115.03934	2.6
115.05453	5.9
117.03288	1.9
117.07026	6.4
118.04130	2.3
119.04967	3.0
119.08572	10.6
121.06534	7.8
121.10151	7.9
121.20536	1.4
123.04426	4.1
123.11636	2.3
124.05273	1.5
125.05964	1.5
125.09620	2.4
127.03905	2.8
128.06207	2.0
129.06998	5.5
131.04909	17.1
131.08563	8.9
132.05690	14.3
133.02835	3.1
133.06474	7.3
133.10095	7.9
135.04417	6.6
135.11740	3.9
137.05989	3.9
139.03877	1.7
141.06987	3.1
143.08533	4.3
145.06483	4.8
145.10110	7.9
146.03641	1.6
147.04395	5.3
147.08043	2.0
147.11656	8.9
149.02379	2.2
149.05997	9.3
149.09554	1.5
149.13266	4.0
151.11125	1.5
153.01845	11.3
153.05498	2.0
154.06224	5.2
155.04907	2.0
155.08505	2.7
157.06467	2.0
157.10120	3.2
159.11676	5.2
160.05194	3.9
161.05994	9.2
161.13275	1.5
163.03925	5.6
163.11237	2.8
165.05511	4.7
165.12750	3.2
167.07033	45.4
169.10123	1.9
169.57196	1.5
171.03041	1.5
171.04361	1.7
171.11673	2.8
173.09645	3.5
173.13210	2.6
175.11212	1.8
175.14836	2.4
177.05475	9.1
179.07062	3.7
180.07796	7.1
181.08586	4.6
181.10072	1.5
182.09367	8.2
183.11699	2.6
185.13245	2.8
191.07025	4.3
192.07803	15.9
193.08588	6.0
193.12341	2.1
195.06599	1.8
201.05367	1.7
209.08122	6.4
210.08804	8.2
211.13205	2.5
213.05414	2.9
227.12831	2.8
229.04950	35.7
237.05438	3.0
241.04979	9.6
253.04880	7.9
254.05824	1.6
255.06516	5.3
257.04422	21.8
258.04987	1.9
259.20673	2.3
267.06531	2.7
267.15854	3.1
269.04443	6.8
271.05811	1.9
279.06583	1.5
283.06039	3.8
285.03940	22.1
286.04669	2.1
287.05750	1.8
287.20093	2.2
295.06046	2.7
297.03925	9.2
301.21689	1.5
311.05463	100.0
317.21579	1.5
323.05484	14.4
327.04959	1.7
333.20367	1.6
333.24146	3.0
341.02728	2.5
341.06543	25.5
349.21799	2.3
361.23685	1.9
375.25082	2.9
384.06396	1.9
385.23779	3.7
394.25574	1.8
403.24695	3.7
441.26334	3.3
445.09125	3.4
459.27048	2.7
465.11502	9.4
477.11758	5.6
477.28400	6.4
495.12900	45.6
495.24594	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	495.113
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.48806	0.2
53.65960	0.3
55.28179	0.2
57.03432	0.4
68.99779	0.8
70.06588	0.3
71.04979	1.1
74.07095	0.2
81.03408	0.5
81.68302	0.2
84.08125	0.5
85.02897	1.2
92.71878	0.2
93.03408	0.3
108.02100	0.3
109.02916	1.1
111.00781	0.9
121.02840	0.5
123.04404	0.4
136.65073	0.2
137.02312	1.1
139.03888	2.5
151.03931	0.2
153.01826	7.7
161.01189	0.3
165.01816	2.5
166.02609	0.5
167.03398	1.7
167.06996	0.4
174.78604	0.2
179.03383	0.6
183.02899	0.7
189.05464	0.7
193.04988	1.0
199.03882	0.3
203.03323	0.5
205.04941	0.4
206.05710	0.9
207.02916	0.4
208.03625	0.5
216.04170	0.9
217.04948	3.2
219.02895	3.8
231.06618	0.2
233.04494	1.4
234.05177	0.9
241.05107	0.3
243.02907	0.7
244.03636	1.8
245.02148	0.4
245.04445	4.9
247.02335	0.5
249.03853	0.4
255.02850	0.6
259.06036	1.1
261.03833	1.2
272.03098	0.7
273.03915	4.1
277.07108	1.4
283.02267	0.3
287.05453	1.7
289.03394	2.8
290.04114	1.6
300.02652	0.3
301.03400	6.7
302.03976	0.3
304.05829	0.6
315.05142	0.5
317.99960	0.5
318.03677	10.1
319.04123	0.4
333.06012	100.0
334.06281	3.0
335.06796	0.3
375.07120	0.3
407.02936	0.6
425.04474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1131
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03914	0.2
56.96553	0.4
57.03426	0.2
63.44917	0.2
67.05492	0.2
68.99786	0.8
69.03419	0.3
70.06567	0.4
71.04973	1.0
71.56472	0.3
72.08131	0.2
76.45299	0.2
77.53207	0.2
80.18829	0.2
81.03418	0.3
81.07066	0.2
84.04504	0.2
84.08141	0.2
85.02911	1.8
86.09684	0.3
89.03967	0.2
98.97538	0.3
108.02135	0.3
109.02860	1.1
111.00782	1.0
120.08136	0.2
123.04433	0.4
135.04416	0.2
136.07497	0.3
137.02344	0.8
138.03117	0.2
139.03902	2.5
151.03874	0.3
153.01820	6.5
153.05406	0.2
161.01213	0.3
165.01830	2.0
166.02585	0.6
167.03404	2.0
167.06941	0.4
173.05975	0.2
179.03384	0.7
183.02902	0.8
189.05493	0.4
193.05017	0.8
195.02956	0.3
205.04984	0.2
206.05743	0.8
206.87897	0.2
207.02899	0.3
208.03647	0.5
216.04187	0.5
217.04951	3.0
219.02872	3.1
227.03506	0.3
229.04887	0.3
231.06673	0.2
233.04427	1.6
234.05281	0.6
241.04985	0.4
243.02872	0.5
244.03621	1.8
245.04462	4.5
247.02385	0.5
255.02864	0.7
259.06018	1.2
261.03979	1.0
262.04688	0.3
272.03189	0.6
273.03885	3.6
277.07031	1.4
287.05441	1.8
289.03345	2.4
290.04083	2.1
300.02731	0.7
301.03394	5.9
304.05527	0.6
315.05148	0.6
318.03687	10.2
319.04074	0.4
333.06021	100.0
334.06430	1.9
407.02795	0.5
425.03867	0.4
426.03992	0.3
495.11194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79543	0.2
55.05503	1.0
56.05035	0.5
57.03428	0.2
57.07056	0.3
58.06600	0.3
59.19113	0.2
60.08162	7.1
69.07069	0.8
70.88799	0.5
71.07372	3.2
81.07049	0.3
83.08618	0.6
86.09703	33.7
87.10065	0.2
93.07035	0.4
97.10198	0.3
98.98457	3.1
104.10740	4.0
121.10177	0.3
125.00002	22.4
143.01031	0.5
156.86169	0.2
160.34457	0.2
163.01654	0.2
184.07332	100.0
185.07724	0.4
248.46236	0.2
311.25726	0.2
476.31238	0.9
494.32440	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	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
55.86831	0.4
56.05027	0.5
57.07058	0.7
58.06588	0.5
60.08161	7.4
67.05489	1.5
69.07059	0.8
70.03824	2.0
70.06596	0.7
71.07373	3.5
77.03016	0.5
79.05480	1.5
81.07046	1.3
86.09703	32.7
88.07616	1.1
91.05476	0.8
93.06467	0.4
93.07015	1.0
95.04970	0.4
95.08615	1.1
97.10158	0.5
98.98469	3.7
103.56379	0.5
104.10755	2.7
105.07031	1.1
107.08554	0.7
107.44819	0.5
109.10152	0.8
114.68138	0.5
121.10107	0.5
125.00001	21.4
149.02350	1.8
167.14244	0.5
184.07335	100.0
185.07562	0.7
193.04971	1.8
199.82364	0.4
205.83583	0.4
237.07579	1.3
256.45535	0.5
284.29520	1.5
459.27307	0.7
476.31546	1.0
494.34659	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	493.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.4
57.03432	17.0
57.07064	7.5
58.10934	2.9
61.16714	2.6
67.05517	23.3
69.07069	31.9
71.08624	6.1
71.58380	4.5
73.09293	3.2
79.05477	11.7
81.07063	29.3
83.08633	23.7
85.10145	3.1
93.07027	12.7
95.05011	3.2
95.08611	22.2
96.06856	3.3
97.06539	3.3
97.10154	12.6
98.98477	62.7
107.08595	8.9
109.10153	9.4
111.08086	4.3
111.11697	4.6
116.62141	2.7
121.10130	18.1
128.21188	2.7
135.11696	4.9
155.01039	62.3
181.82906	2.9
211.03786	3.7
247.24159	5.7
265.25244	6.5
284.93845	3.2
287.36703	3.2
339.28931	100.0
475.28256	18.2
493.30124	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.15120	0.4
55.01864	0.8
55.05491	1.3
57.03442	0.7
57.63347	0.5
65.25805	0.5
67.05488	2.7
69.03425	1.3
69.07072	3.9
70.06580	0.6
70.68970	0.6
70.69319	1.5
71.04996	2.4
72.66444	0.5
73.03424	0.5
74.13380	0.5
79.05476	1.3
81.03410	1.1
81.07049	3.2
83.04956	0.9
83.08601	0.6
85.02901	3.2
85.06538	7.2
86.09673	0.7
87.00820	1.2
91.05466	1.4
93.05165	0.6
93.07026	6.2
95.08601	5.4
97.02869	0.8
97.06432	0.6
99.04479	0.5
99.08099	4.7
105.01854	0.7
105.07012	2.2
107.08584	9.4
109.10152	16.1
111.08082	1.2
113.06001	1.4
119.08571	4.8
121.10120	2.5
123.11673	2.8
127.03900	1.1
127.11179	2.2
133.10101	3.8
135.11688	21.6
137.05975	0.9
137.09615	0.9
139.11180	1.0
147.11662	0.9
149.13246	6.7
151.14796	1.0
153.12732	14.8
153.13960	0.9
162.46979	0.5
165.12752	0.6
166.36830	0.5
167.14268	1.5
173.83206	0.5
175.14836	8.5
193.15903	2.1
203.68306	0.5
211.16922	100.0
212.17247	2.7
227.02956	0.5
234.00624	0.6
267.15836	0.5
270.05191	0.8
271.05499	1.0
287.05493	0.9
291.82541	0.6
315.04996	2.2
316.05429	6.7
317.06033	1.4
327.43219	0.6
331.08078	4.6
332.08423	11.7
333.08691	1.0
354.16687	0.5
451.19574	0.6
494.18954	0.6
495.18198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2805
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05510	4.0
57.05811	0.5
70.42385	0.9
72.08150	46.4
78.68542	0.3
79.05462	0.3
91.05482	0.9
93.07048	0.7
95.04979	0.4
97.42724	0.2
103.05456	2.1
105.07028	0.4
117.06953	0.4
120.08097	100.0
121.08448	0.8
126.12745	0.3
130.06468	0.4
133.56073	0.3
157.10210	0.3
160.70595	0.3
171.14911	6.9
171.29338	0.3
174.12794	3.0
186.19713	0.3
199.14395	6.6
210.23967	0.3
219.14906	17.3
222.12764	0.4
247.14401	18.1
248.14795	0.4
267.14877	8.9
273.19565	1.7
295.14417	12.2
301.19083	2.7
321.19562	1.0
346.21179	3.8
349.19019	1.7
394.21252	2.3
448.26147	0.5
465.21973	0.3
493.28082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36819	11.3
57.03438	14.6
70.06580	14.7
71.01369	12.3
71.04980	46.8
81.03426	12.0
85.02900	74.9
98.20747	35.2
100.97572	11.2
109.02869	13.1
111.04442	10.4
115.05490	10.9
121.02837	27.2
127.03979	11.7
131.04823	10.8
147.04431	18.9
171.04424	15.6
171.60574	10.5
175.03915	25.5
177.05475	18.9
181.04962	25.3
187.03830	16.3
189.05521	20.7
193.05009	58.5
201.05457	15.6
205.05049	51.2
213.05507	13.1
217.04962	39.0
219.06448	26.9
223.05902	53.8
225.05435	18.3
227.06967	13.4
229.05057	22.9
231.06480	30.5
235.05998	50.1
241.04930	22.9
243.06459	16.8
245.08147	16.7
247.06020	100.0
253.04686	12.9
259.06000	95.2
271.06079	53.7
277.06979	80.5
283.05984	26.3
285.07767	14.4
287.05450	32.0
288.82776	10.6
289.07047	99.2
301.07092	84.9
307.08133	41.8
313.06989	73.6
319.08090	33.8
325.09155	61.6
341.72513	11.7
343.08084	42.4
355.07794	17.8
361.02188	12.6
361.09146	30.3
362.02335	14.6
367.08109	19.8
373.09229	34.9
379.03177	15.7
379.10107	23.7
385.09741	14.6
391.10257	49.8
398.18039	12.0
403.10425	20.7
421.10916	11.9
439.12399	13.4
493.18976	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01852	1.0
55.05465	1.3
67.05513	2.0
69.07028	0.7
69.77995	1.5
69.78405	0.8
79.05468	2.2
81.03371	0.8
81.07056	3.3
83.08584	0.7
91.05477	4.3
93.07027	2.8
95.01289	1.1
95.04926	1.3
95.08588	2.1
97.10055	0.4
102.04654	0.8
103.05459	4.4
105.07008	5.5
107.01260	0.4
107.04932	2.1
107.08524	1.1
108.02058	0.4
109.10144	0.9
115.05379	1.4
117.06951	1.0
118.04142	3.6
119.01288	0.5
119.04909	0.8
119.08537	1.2
121.06505	2.6
121.10160	0.9
123.00780	3.7
123.04386	0.7
123.11652	0.7
128.06174	1.4
129.06973	0.5
130.04102	1.4
131.04895	3.6
131.08505	0.6
132.05664	1.4
133.06473	4.0
133.10126	0.6
135.04416	1.9
135.11575	0.9
140.04597	0.7
141.07040	0.4
143.08537	0.4
145.02812	0.5
145.06395	0.6
145.10048	1.1
146.03648	1.0
147.00729	0.5
147.04320	0.9
147.11647	1.4
148.05121	0.9
149.05937	1.7
152.01001	1.5
153.01836	0.8
153.06906	0.4
156.05646	0.8
158.07230	0.6
161.05991	3.3
163.11134	1.2
165.05423	0.6
167.03377	0.6
167.04863	0.5
167.06995	1.2
168.05649	1.3
169.06468	0.9
170.02083	1.8
171.02919	0.6
171.08031	10.7
173.05995	0.7
176.04680	3.1
177.05391	1.4
178.02580	0.5
178.06195	0.5
181.06439	1.3
181.12193	0.6
183.08032	1.1
184.05199	2.0
185.05949	0.5
186.06642	0.8
191.07010	4.1
191.10571	0.5
193.08556	2.3
196.05180	0.9
196.98259	0.4
197.05927	0.9
199.07486	0.7
201.09052	0.7
209.05960	3.6
209.11638	0.4
211.07561	1.8
212.04626	1.6
213.05334	0.6
214.06195	1.1
223.03941	0.8
225.05508	1.2
227.07014	0.8
227.12721	2.0
229.08592	2.7
239.03294	0.9
239.07018	1.2
240.04146	1.2
240.07697	2.8
242.05618	0.9
253.04814	0.5
255.06496	100.0
256.06989	2.0
257.07999	1.3
267.15717	0.6
268.07260	0.7
269.04541	0.6
269.07941	1.0
270.05182	1.2
281.08032	1.0
283.05984	36.9
284.03442	0.7
284.06702	9.3
285.07529	24.1
297.07556	0.5
313.07028	7.0
315.08646	1.2
369.24573	0.4
463.13815	5.9
470.44894	0.5
475.13831	39.7
476.14215	1.1
486.25366	0.4
493.14923	44.6
493.27509	1.6
494.15207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01818	0.3
55.05462	0.4
57.03395	0.2
67.05457	0.6
67.62914	0.2
69.03384	0.6
69.44540	0.6
69.44949	1.5
70.06538	0.3
71.04945	0.4
71.86497	0.2
73.02895	0.2
79.05434	0.7
81.03340	0.7
81.06984	0.9
85.02911	1.1
86.09665	0.6
91.05417	0.5
93.06962	0.8
95.04904	0.5
95.08557	0.4
97.02846	0.4
105.06958	0.7
107.08510	0.9
108.08866	0.5
114.57491	0.3
117.06998	0.3
119.08569	0.3
120.08042	0.3
120.17442	0.2
120.84566	0.2
121.10075	0.6
122.10431	0.3
123.04303	0.2
127.03876	0.6
135.04443	0.3
137.02296	0.3
137.05893	1.0
145.02783	0.2
148.07539	0.3
153.01764	0.7
154.02480	0.3
163.03923	0.2
169.41869	0.2
174.38762	0.2
178.02533	0.5
179.14189	0.5
180.14545	0.8
191.14247	0.4
192.14677	0.5
215.13937	0.3
229.05052	0.4
242.05684	2.5
255.02837	0.4
258.05237	2.3
269.04462	0.4
270.05219	8.6
271.05664	0.4
273.03912	1.7
281.27051	0.3
286.04712	1.1
286.17844	0.3
287.05453	4.2
298.04623	0.3
299.05481	0.8
299.77039	0.2
301.03448	2.5
301.06854	0.4
302.04211	3.2
313.03418	1.0
315.04959	38.1
316.05701	4.1
331.08093	100.0
332.08420	2.1
493.17081	0.4
493.24930	0.7
494.81668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Eupalitin 3-galactoside
Peak:m/z	Relative Intensity
50.80512	0.2
54.83083	0.2
55.01838	0.2
55.05484	0.2
57.03416	0.3
61.02915	0.2
67.05486	0.5
69.03429	1.3
70.06585	0.4
71.04980	0.3
71.57167	0.3
73.02890	0.2
75.69672	0.2
76.02197	0.2
79.05468	0.5
81.03401	0.9
81.07032	0.7
83.04945	0.3
85.02891	2.1
86.09681	0.7
91.05457	0.7
93.07038	0.5
95.04931	0.5
97.02866	0.4
97.32544	0.2
99.04426	0.4
103.05441	0.3
105.07013	0.3
107.08567	0.2
108.02042	0.2
109.02867	0.4
109.10085	0.2
119.08544	0.3
120.08054	0.3
121.06459	0.2
121.10099	0.5
127.03904	0.8
129.06981	0.2
130.04976	0.4
131.08546	0.3
133.10086	0.2
137.02335	0.2
137.05968	0.6
145.04933	0.3
145.10103	0.4
150.03215	0.2
151.07599	0.3
153.01784	1.1
154.02623	0.3
163.07503	0.3
163.11192	0.2
167.07088	0.2
178.02592	0.6
187.14468	0.2
190.31223	0.2
195.30507	0.2
209.15384	0.3
210.15631	0.2
214.06258	0.3
215.13882	0.2
227.11853	0.4
241.04843	0.4
242.05710	3.6
253.04901	0.3
255.02834	0.2
258.05191	2.3
269.04443	0.7
270.05200	14.5
271.05771	0.4
272.20010	0.7
273.03995	1.3
279.17224	0.2
285.03973	0.6
286.04669	1.5
287.02264	0.4
287.05478	7.0
288.05997	0.4
298.04721	1.3
299.05420	1.1
301.03409	3.1
301.06696	0.4
302.04184	4.5
313.03409	1.5
315.04956	60.8
316.05725	17.0
317.05899	0.2
327.08072	0.2
329.06546	0.2
331.08087	100.0
332.08484	2.5
364.24802	0.3
373.09351	1.0
493.13324	30.9
493.28201	0.9
494.13535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80512	0.2
54.83083	0.2
55.01838	0.2
55.05484	0.2
57.03416	0.3
61.02915	0.2
67.05486	0.5
69.03429	1.3
70.06585	0.4
71.04980	0.3
71.57167	0.3
73.02890	0.2
75.69672	0.2
76.02197	0.2
79.05468	0.5
81.03401	0.9
81.07032	0.7
83.04945	0.3
85.02891	2.1
86.09681	0.7
91.05457	0.7
93.07038	0.5
95.04931	0.5
97.02866	0.4
97.32544	0.2
99.04426	0.4
103.05441	0.3
105.07013	0.3
107.08567	0.2
108.02042	0.2
109.02867	0.4
109.10085	0.2
119.08544	0.3
120.08054	0.3
121.06459	0.2
121.10099	0.5
127.03904	0.8
129.06981	0.2
130.04976	0.4
131.08546	0.3
133.10086	0.2
137.02335	0.2
137.05968	0.6
145.04933	0.3
145.10103	0.4
150.03215	0.2
151.07599	0.3
153.01784	1.1
154.02623	0.3
163.07503	0.3
163.11192	0.2
167.07088	0.2
178.02592	0.6
187.14468	0.2
190.31223	0.2
195.30507	0.2
209.15384	0.3
210.15631	0.2
214.06258	0.3
215.13882	0.2
227.11853	0.4
241.04843	0.4
242.05710	3.6
253.04901	0.3
255.02834	0.2
258.05191	2.3
269.04443	0.7
270.05200	14.5
271.05771	0.4
272.20010	0.7
273.03995	1.3
279.17224	0.2
285.03973	0.6
286.04669	1.5
287.02264	0.4
287.05478	7.0
288.05997	0.4
298.04721	1.3
299.05420	1.1
301.03409	3.1
301.06696	0.4
302.04184	4.5
313.03409	1.5
315.04956	60.8
316.05725	17.0
317.05899	0.2
327.08072	0.2
329.06546	0.2
331.08087	100.0
332.08484	2.5
364.24802	0.3
373.09351	1.0
493.13324	30.9
493.28201	0.9
494.13535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69648	6.1
54.33194	5.8
55.01874	9.2
56.96542	7.0
57.03418	7.1
58.10875	5.6
65.71516	4.9
65.85537	4.8
67.05490	10.3
69.03416	16.6
69.07059	6.0
70.06596	10.5
70.10799	26.3
71.04996	8.2
76.02136	5.1
79.05484	12.5
81.03415	10.8
81.07049	19.5
83.05006	9.2
83.08614	7.8
84.08163	8.4
85.02905	44.7
85.06531	7.3
86.09710	15.5
87.00809	10.7
91.05484	15.5
93.07035	20.0
95.04964	23.9
95.08595	22.6
97.02877	13.1
97.06524	23.6
99.04453	12.8
105.01862	18.9
105.07022	26.7
107.08586	20.2
109.02874	8.1
109.06500	45.0
109.10155	20.5
113.06151	6.3
115.07565	12.6
119.08572	24.3
120.08119	6.0
121.10161	22.8
121.98005	5.7
127.03877	17.9
131.08585	18.8
133.10136	72.2
135.08057	9.4
135.11717	6.1
137.05988	26.5
145.04944	8.2
145.10124	9.1
147.08142	5.8
147.11719	34.9
151.11212	9.8
151.74817	6.5
153.09088	17.1
163.14754	5.8
165.12630	12.2
173.13226	38.2
187.96463	6.2
191.14302	60.3
209.15341	100.0
220.33923	6.3
227.16435	76.1
231.05052	7.6
239.67291	6.1
281.13712	6.3
331.08142	16.4
492.30328	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	492.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05506	9.7
57.03432	5.2
57.07072	1.7
61.97251	1.2
62.06070	1.7
65.03947	1.6
66.87005	1.5
67.05502	24.1
69.07058	7.9
71.04975	2.4
71.08627	29.9
71.31743	2.5
71.32073	2.0
72.58310	1.5
77.59774	1.4
79.05482	28.5
81.03409	4.7
81.07048	33.8
83.04978	6.0
83.08616	7.0
89.50076	1.6
91.05472	18.9
93.07035	32.1
95.04958	6.3
95.08595	19.9
97.06512	5.0
97.10149	2.2
98.98436	2.1
99.08083	19.4
103.05475	3.7
103.69017	1.7
105.07025	12.1
107.04932	5.3
107.08575	19.2
109.06523	3.4
109.10142	8.6
113.09619	1.7
117.07023	4.0
118.04205	2.2
119.08573	11.0
121.06481	2.5
121.10128	15.1
123.08028	2.2
129.06964	2.4
131.04938	5.7
131.08513	3.0
132.05734	2.2
133.10123	5.8
135.11665	17.7
137.09572	1.6
141.09096	1.7
143.08521	2.0
145.10112	3.5
147.11684	6.3
149.13225	5.0
151.11163	8.1
159.11670	2.4
161.13214	9.6
163.11194	5.4
173.13191	1.5
175.14821	1.7
176.04758	2.1
177.12747	2.1
179.14299	53.2
191.07047	4.8
211.07576	1.6
235.16827	1.7
259.20667	2.2
275.70499	1.4
277.21606	33.0
283.06049	1.4
284.06650	2.4
285.07516	16.1
320.25906	4.5
351.25256	100.0
352.25610	3.8
396.01053	1.4
431.21579	2.4
442.21878	1.3
463.13788	2.8
475.14124	13.9
492.27298	1.5
493.14993	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	15.2
55.05501	13.4
69.03400	21.0
70.92442	42.8
79.05470	13.9
81.03395	32.0
81.07047	29.4
83.04993	14.6
83.08578	18.3
85.02887	81.6
87.00807	36.0
89.38624	13.4
91.05460	13.3
95.04963	49.6
95.08559	16.6
97.02892	34.6
97.06526	26.9
99.04433	33.9
105.01835	40.4
107.08567	33.3
109.02843	13.5
109.06510	55.8
119.08576	31.8
121.10163	27.5
123.08033	24.0
127.03908	55.4
131.08580	23.5
133.10126	97.1
139.11183	86.5
145.04974	29.5
145.10188	13.3
147.11653	14.4
153.09079	28.6
165.12677	25.6
173.13240	45.0
191.14328	100.0
209.15356	90.1
227.16418	55.8
329.83890	13.9
429.30069	13.9
492.17081	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01867	4.6
55.05493	4.5
67.05496	7.1
69.03432	20.2
69.07057	6.0
69.49013	26.7
70.06563	7.4
71.04987	5.8
72.08150	4.1
73.02922	3.7
79.05471	9.8
81.03420	16.6
81.07044	15.3
82.06574	5.9
85.02896	51.3
85.06516	4.3
86.09693	4.5
87.00819	25.9
87.04465	3.6
91.05473	8.3
93.07024	10.6
94.06557	8.6
95.04931	5.4
95.08595	12.1
97.02885	26.0
97.06523	100.0
99.04482	7.5
105.01849	28.1
105.06984	6.3
107.04919	2.9
107.08588	24.6
108.08087	4.1
109.02863	28.7
109.06472	9.6
109.10147	9.9
111.08048	4.5
119.08594	5.4
120.08123	3.7
121.10175	15.1
123.08064	4.5
124.07569	5.9
127.03886	44.3
131.08543	6.7
133.10129	14.2
136.03929	3.3
136.07574	4.1
142.08633	10.0
145.04999	14.5
147.04337	3.3
147.11676	4.4
149.09557	3.7
149.13232	17.9
151.11174	8.0
154.08600	19.2
163.14899	4.6
167.10684	3.3
169.12259	9.3
173.13280	12.6
179.14272	3.1
184.44096	3.0
191.14261	18.9
209.15413	18.1
213.03894	7.3
221.34912	2.8
227.16400	38.3
231.05011	10.8
330.06888	7.0
331.08087	11.1
415.03476	3.6
438.28210	5.4
439.19675	5.5
457.20270	6.3
492.31161	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	492.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01865	5.9
57.03432	4.5
57.07044	2.4
61.02906	2.5
66.68747	1.5
67.05503	8.7
69.03425	20.0
69.07072	3.2
70.86957	3.4
70.87305	2.2
71.04991	9.3
73.02915	5.3
77.96787	1.5
79.05503	9.0
80.53442	1.7
81.03413	19.9
81.07051	5.1
83.04973	5.5
85.02906	46.3
85.06543	57.8
87.00819	20.5
91.05460	8.1
93.07051	9.8
95.04963	6.6
97.02889	14.9
97.06530	4.0
99.04460	10.2
99.08045	2.4
105.01873	9.6
105.07047	11.2
107.04923	4.6
107.08586	15.3
109.02866	12.9
109.06511	3.1
111.04439	6.9
114.76485	1.7
117.01855	3.3
117.07027	2.7
119.08586	13.6
121.06481	7.7
121.10148	11.4
123.08068	1.7
125.05965	2.0
127.03910	24.3
129.01874	2.1
129.06996	2.7
131.08557	34.6
133.10127	7.5
135.11720	3.6
137.09605	3.7
139.11140	4.5
143.07018	2.1
145.04990	10.2
145.10123	18.4
147.02808	2.2
147.07986	2.7
147.11713	3.7
149.09612	35.1
153.09045	2.5
159.02878	7.4
163.07603	1.8
163.11205	13.5
165.09126	6.5
167.03267	1.8
167.10641	18.5
173.09612	5.8
173.13245	3.0
191.10664	48.5
191.14291	4.7
197.11766	2.2
200.12418	1.4
209.11731	60.6
209.15364	5.0
227.12773	100.0
231.04955	5.3
287.39325	1.9
331.08051	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	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.96486	0.4
55.01861	0.6
55.05508	9.5
57.03435	2.9
57.07080	1.7
63.73457	0.3
65.03924	1.8
67.05501	10.6
69.07066	11.0
71.04990	1.1
71.08634	0.4
71.57882	0.5
79.05483	4.8
81.07051	14.9
83.04922	0.4
83.08616	7.0
83.09114	0.5
84.66720	0.3
85.02874	0.4
85.06523	1.3
85.25900	0.4
88.33678	0.3
91.04894	0.7
91.05475	15.0
93.06486	0.4
93.07037	4.9
95.04944	1.2
95.08601	12.7
97.06551	1.6
97.10158	5.4
99.08076	0.8
102.45732	0.3
105.07030	3.3
107.08582	3.4
109.06561	0.3
109.10156	5.3
111.08061	1.2
111.11710	2.2
113.06004	0.3
117.06996	0.7
119.04935	26.8
119.08555	3.3
121.10143	5.3
123.04407	0.4
123.08077	0.4
123.11683	2.0
125.09632	0.9
125.13278	0.6
129.05457	0.4
129.06998	0.4
131.08595	0.6
133.10100	2.7
134.16718	0.3
135.11670	4.9
137.09595	0.5
137.13234	1.2
139.11212	1.1
147.04401	100.0
147.11688	2.3
148.04758	1.1
149.13234	1.4
151.11188	1.1
151.14876	0.8
153.12755	1.1
161.13266	1.7
165.05460	8.9
165.12712	0.8
167.14275	0.4
168.85741	0.3
175.14827	1.1
179.14256	0.4
183.13997	0.3
185.05956	0.5
187.91951	0.4
193.19543	0.6
217.19492	3.3
221.08081	0.7
229.93440	0.3
235.20557	4.2
243.08754	0.9
253.21602	1.2
309.24222	2.1
327.25278	16.2
378.15384	0.7
465.13605	0.3
491.29767	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05507	6.3
57.03428	2.7
57.07069	0.8
65.03933	1.1
66.92886	0.4
67.05500	8.9
69.07060	9.1
70.83318	1.4
71.04992	1.1
71.08630	0.4
73.02897	0.3
79.05482	3.1
81.07048	12.0
83.04955	0.4
83.08613	5.1
85.06535	0.7
91.05472	10.0
93.07044	3.7
95.04939	0.8
95.08597	9.2
97.06522	1.1
97.10155	3.2
99.04395	0.3
99.08073	0.5
105.07039	2.0
107.08587	1.9
109.10149	3.4
111.08085	0.5
111.11716	0.9
119.04930	20.6
119.08563	1.3
121.10146	2.4
123.08097	0.7
123.11688	1.5
125.09631	0.4
133.10059	1.6
135.11665	2.9
137.09567	0.5
137.13228	0.5
139.11151	0.6
140.17094	0.4
147.04395	100.0
147.11646	1.6
148.04730	0.8
149.13206	0.8
151.11212	0.5
153.12730	0.9
161.13214	0.9
165.05461	13.6
165.12785	0.5
175.14818	0.7
179.14297	0.5
195.63795	0.4
217.19446	2.1
221.08073	1.3
235.20502	2.6
235.28003	0.4
253.21582	0.6
309.24130	1.8
320.55865	0.4
327.25253	14.6
375.37357	0.4
378.78873	0.4
411.36829	0.4
473.29141	0.5
491.29599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42813	1.9
53.03947	6.2
54.33687	1.8
55.01867	3.6
55.05511	28.6
56.58356	1.7
57.03437	7.9
57.07071	5.2
57.92347	1.8
59.67920	1.8
65.03938	4.9
67.05505	58.7
68.05824	1.8
69.03429	2.3
69.07070	26.1
71.04983	7.3
71.57975	3.0
79.05496	59.3
79.05965	3.5
81.03426	5.8
81.07056	100.0
83.04981	11.7
83.08613	17.5
85.06541	5.8
91.05479	55.5
93.07045	40.7
93.42695	2.2
95.04977	17.2
95.08606	41.1
95.09171	3.2
97.06501	9.4
97.10181	7.0
99.04455	2.3
99.08099	4.7
105.07037	47.5
107.04941	3.5
107.08588	20.2
109.06524	6.5
109.10157	12.7
111.08066	2.3
117.07047	6.5
119.04948	21.9
119.08588	38.8
121.06513	2.5
121.10151	21.7
123.04441	2.1
123.08085	4.8
123.11710	23.1
125.09707	2.0
127.07565	3.1
129.06990	9.4
131.08601	3.9
133.10161	11.0
135.11726	5.6
137.13228	3.2
143.08560	5.6
145.06410	2.1
145.10158	7.8
147.04413	98.9
147.08057	2.5
147.11685	74.8
149.13304	2.4
159.10257	2.3
159.11682	3.1
160.67421	2.0
161.09596	2.3
161.13280	7.8
165.05521	8.0
165.12726	23.3
171.11684	13.7
189.12776	4.9
207.13748	16.1
217.19455	3.0
225.14844	3.1
227.12659	2.0
229.14355	3.8
267.15918	30.4
309.24280	2.6
327.25195	14.8
474.14859	2.2
491.30078	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	491.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01878	2.7
55.05493	1.1
57.03427	1.4
61.02904	1.6
65.82444	0.5
67.05516	2.9
68.99768	1.9
69.03431	5.8
69.07043	1.4
69.80956	0.8
69.81369	2.8
70.06596	0.6
71.01353	0.5
71.04967	1.7
73.02907	2.0
79.05469	1.8
81.03419	7.0
81.07067	2.7
83.04948	0.7
83.08610	0.8
85.02901	15.1
87.00837	6.1
87.04470	0.5
91.05479	3.5
93.07041	2.3
95.04942	1.9
95.08591	2.2
97.02890	6.0
97.06538	0.7
97.10168	1.1
98.21456	0.6
99.04439	2.1
103.03934	1.4
105.01873	3.9
105.07019	2.5
107.04949	9.6
107.08573	1.6
109.02881	5.6
109.06558	0.7
109.10134	1.9
111.04419	0.6
115.03923	1.6
115.05432	0.7
117.01894	0.6
117.06983	0.7
119.04942	3.0
119.08594	1.1
121.02892	1.0
121.06493	4.8
123.04420	1.3
123.08095	0.5
125.09622	0.6
127.03918	8.0
129.01785	1.3
129.07007	1.1
131.04929	3.2
131.08575	1.4
132.05667	0.6
133.06487	1.6
133.10158	1.0
135.04384	0.7
135.07951	0.5
135.11656	0.7
137.05975	4.2
145.02885	0.7
145.04944	2.8
145.06361	0.8
145.10033	0.7
146.03615	2.1
147.02907	0.9
147.04411	0.8
147.07997	0.6
147.11731	1.0
149.05936	2.3
151.07532	2.0
157.06462	0.7
158.03584	0.6
159.02899	2.7
161.05995	1.1
163.11168	0.5
165.07010	1.0
167.06993	0.7
168.00520	1.8
173.09624	0.6
175.07547	1.1
177.05438	1.4
179.07024	1.1
179.08524	0.8
181.06438	0.7
186.01610	2.2
191.06995	1.3
194.07204	0.7
200.04665	1.1
207.08020	0.9
210.06726	1.1
211.07562	0.8
223.07578	0.9
225.09053	0.8
228.04218	2.0
231.05017	0.8
236.70386	0.6
239.10672	1.5
242.09364	0.9
243.10181	7.7
253.08592	2.8
255.10149	5.3
256.03693	3.6
257.11594	0.7
267.10135	7.6
269.11813	0.6
271.06067	1.1
277.08597	0.6
279.10236	1.5
284.03146	4.6
285.03915	0.5
285.11197	4.9
286.04688	1.0
291.10089	0.8
299.05527	2.2
305.11377	0.7
309.11053	3.3
313.03494	5.2
314.04187	49.0
315.04437	2.4
329.06537	100.0
330.06818	3.3
333.11130	2.2
336.04245	0.5
351.12314	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	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01846	2.3
55.05501	3.9
55.29787	2.2
60.62469	2.3
67.05483	3.4
67.79558	2.2
69.03429	8.2
69.07050	3.1
70.03992	3.6
70.04401	10.4
70.06579	10.8
71.04971	7.0
73.02901	2.7
79.05484	6.3
81.03413	9.1
81.07051	4.9
83.04960	6.0
85.02896	13.4
86.09712	10.1
87.00828	6.1
91.05467	15.2
93.07027	8.8
95.04961	5.3
97.02871	7.4
98.09628	2.3
98.21368	2.9
99.04494	2.5
105.01909	3.4
105.07023	32.3
107.04945	2.7
107.08572	18.7
109.02866	3.3
109.06495	6.3
109.10133	6.7
119.04963	4.4
119.08558	28.0
121.10111	18.6
122.66472	2.3
123.08034	5.4
123.11718	12.4
127.03900	11.1
128.06177	2.9
129.06978	6.7
130.07678	2.4
131.08562	36.2
133.10097	5.6
135.11658	3.9
137.09619	17.9
141.07031	2.9
143.08519	13.4
145.10147	19.1
147.08057	5.0
147.11668	36.7
149.09610	88.7
156.09325	35.0
159.11703	35.3
161.09648	5.0
161.13257	12.8
165.12724	22.4
171.11664	51.5
177.05493	7.6
177.09209	2.9
181.12166	3.2
189.12723	100.0
207.06418	3.4
207.13734	29.4
231.04988	2.9
238.09464	2.6
287.05490	14.7
302.83997	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01859	3.2
55.05509	23.9
57.03428	6.5
57.07071	1.9
59.05006	2.9
64.43526	1.3
65.03923	2.9
67.05500	79.0
69.03445	1.8
69.07061	20.8
70.15470	3.1
70.15868	3.3
71.04987	2.9
79.05490	33.0
81.06582	2.8
81.07053	47.2
83.04990	3.4
83.08618	13.2
85.06528	4.0
91.05490	27.5
93.07040	40.2
95.04959	5.6
95.08600	33.4
97.06553	2.8
97.10155	4.2
105.07028	35.4
107.08598	28.8
109.06502	2.4
109.10148	41.9
111.08038	2.7
111.11717	1.8
117.07001	11.6
119.08579	39.5
121.10137	21.0
123.08089	2.2
123.11723	2.5
125.09661	2.9
128.06322	1.3
129.07022	5.2
131.08553	21.9
133.10121	26.5
135.11674	10.6
137.09564	1.7
139.11195	3.8
141.07060	2.0
143.08563	6.4
145.10117	23.3
147.11681	16.8
149.13277	7.9
155.08539	4.7
155.10649	2.9
157.10152	8.8
159.11687	16.6
161.09669	1.7
161.13249	11.6
163.14822	2.0
169.10144	5.8
171.11633	10.1
173.11760	8.6
173.13277	15.1
175.14845	3.1
183.11693	4.0
185.13297	7.3
187.14833	5.5
189.16458	1.5
197.13319	4.1
199.14835	4.8
201.16359	2.3
211.14896	3.1
213.14784	3.0
213.16585	2.8
214.83775	1.4
225.16310	2.1
241.19556	2.8
253.19427	2.1
257.18970	1.9
259.20590	3.1
261.22177	4.7
267.21100	1.5
269.22672	1.4
271.20621	2.2
273.22043	2.2
285.22104	5.3
289.21686	2.5
297.22104	1.9
299.23502	3.1
311.23615	1.8
377.26779	3.4
379.29938	11.4
397.31055	20.7
415.31961	4.1
433.33438	2.1
471.34741	15.5
489.35736	100.0
490.36218	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03930	2.7
55.01860	1.8
55.05509	21.7
55.41468	1.1
57.03432	5.5
57.07070	3.5
58.26151	1.0
59.04988	1.9
59.38263	1.0
59.54145	1.2
60.71785	1.1
65.03932	2.5
67.05503	64.5
69.06720	1.5
69.07069	15.6
70.83394	2.2
70.83788	2.8
71.04991	3.1
74.73930	1.0
79.05490	37.8
81.07051	44.6
83.04959	1.7
83.08616	9.2
85.06529	4.0
91.05479	28.2
93.07038	37.6
94.15193	1.2
95.04953	4.1
95.08056	2.2
95.08610	31.0
97.06524	2.0
97.10167	6.6
98.35854	1.1
105.07025	29.6
107.08598	22.1
109.06512	1.8
109.10151	37.0
111.08080	3.9
117.07010	10.5
119.08571	31.7
121.10129	18.6
123.11720	3.4
125.09628	3.4
129.07013	4.7
131.08562	20.8
133.10121	24.0
135.11679	8.8
137.09659	2.1
139.11159	3.0
141.06999	2.9
143.08578	6.3
145.10118	20.3
147.11667	15.2
149.13213	5.7
154.32082	1.2
155.08565	3.6
155.10670	1.6
157.10091	7.8
159.11705	14.0
161.13257	9.0
163.14839	2.5
169.10132	4.8
171.11661	7.8
173.11757	9.1
173.13281	11.2
175.14874	3.4
183.11726	5.4
185.13242	7.6
187.14825	6.1
189.12769	1.6
195.11557	1.3
197.13345	2.8
199.13196	1.4
199.14882	3.7
201.16418	2.0
213.14699	2.2
213.16559	2.7
215.17833	1.5
225.16383	2.3
227.18089	1.9
239.18057	1.9
241.19415	1.4
243.21048	2.2
250.06146	1.3
255.21165	1.8
257.18835	1.2
259.20593	1.7
261.22156	4.9
261.54572	1.3
271.20624	2.3
273.22229	2.6
275.20166	1.3
277.21561	2.0
285.22153	3.2
299.23633	2.7
303.23071	1.4
315.23367	1.7
317.24695	1.4
355.26291	1.4
363.25540	1.3
377.26843	3.3
379.29974	13.3
385.60959	1.2
391.28629	2.3
397.31015	19.7
415.31958	7.4
431.31888	1.6
433.33344	2.1
435.32980	1.8
471.34689	16.0
489.35767	100.0
490.36099	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01880	1.2
55.05261	2.1
55.05511	22.6
57.03440	6.0
57.07073	3.7
59.04988	3.5
62.48458	1.1
65.03942	2.9
66.92525	1.3
67.05504	100.0
69.07063	16.7
71.04993	3.0
79.05492	37.4
81.06580	2.6
81.07056	49.0
83.05004	2.7
83.08623	11.6
85.06537	3.4
91.05476	30.9
93.07044	44.5
95.04973	5.2
95.08611	31.5
97.06546	2.6
97.10171	4.0
98.21541	2.9
99.08099	1.8
105.07027	31.5
105.07678	1.9
107.08598	25.6
108.36649	1.1
109.06532	2.9
109.10153	59.3
111.08101	3.7
117.07016	8.5
119.08582	33.5
121.10148	19.9
123.08066	2.8
123.11736	2.8
123.87831	1.2
125.09652	2.2
129.07028	7.9
131.08557	20.5
133.10130	20.8
135.08043	1.7
135.11678	12.2
137.09610	3.3
139.11197	2.6
141.06996	1.8
143.08510	6.3
145.10129	17.8
147.11697	13.9
148.87282	1.3
149.13260	6.2
151.11217	1.8
153.68539	1.3
155.08562	2.9
157.10136	4.6
159.11671	13.5
159.12825	1.2
161.13264	7.6
163.14893	2.4
169.10104	3.2
171.11716	5.5
173.11752	15.6
173.13300	9.4
175.14819	4.3
183.11711	4.1
185.13225	6.9
187.14824	5.5
195.11700	1.3
197.13287	3.3
199.14819	2.7
211.14857	2.6
213.16486	2.7
225.16458	1.6
234.37219	1.1
241.19681	1.3
245.19231	1.5
255.21257	1.5
259.20508	2.1
261.22202	4.0
273.21796	1.5
285.22128	3.0
299.23846	2.1
313.24918	1.5
315.23221	1.5
317.24841	1.5
329.24799	1.3
344.43246	1.3
363.25311	1.7
366.00400	1.2
377.26895	3.7
379.29904	11.1
390.63376	1.3
391.28448	2.1
397.30975	20.0
415.31985	4.7
433.33484	1.6
471.34607	11.3
489.35754	97.8
490.35965	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	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.21552	1.2
53.03941	3.5
55.01862	2.6
55.05510	21.5
57.03429	5.6
57.07072	2.7
59.05006	2.7
65.03947	3.2
65.74792	1.3
67.05502	100.0
69.07062	15.8
71.04983	4.3
76.90762	1.5
78.32765	1.3
79.05491	38.2
81.07053	48.8
83.04977	2.6
83.08617	9.1
85.06525	3.4
91.05481	32.0
93.07044	46.6
95.04955	5.2
95.08601	34.9
97.06521	2.7
97.10191	4.2
98.20699	3.0
99.08052	2.4
105.04516	1.8
105.07014	27.9
105.07674	2.0
107.08579	23.0
109.06522	3.2
109.10151	59.6
111.08105	4.7
117.07021	11.4
119.08571	34.1
121.10147	21.6
123.08039	2.2
123.11704	3.3
125.09639	2.2
129.06982	4.1
131.08568	19.7
133.10129	18.2
135.11690	11.7
137.09637	5.7
139.11208	1.9
143.08496	6.6
145.10130	16.8
147.11679	13.5
149.13240	4.8
155.10664	3.3
157.10115	5.1
159.11688	13.5
161.13269	7.3
163.14758	2.4
169.10182	3.0
171.11642	7.9
173.11739	18.9
173.13272	11.8
183.11696	4.0
185.13295	6.0
187.14830	4.8
191.14307	1.6
197.13290	2.9
199.14764	3.3
201.16382	2.1
209.13481	1.3
211.14874	1.9
213.16422	2.1
225.16484	1.8
239.18135	1.6
241.19487	2.2
259.20663	3.2
261.22137	3.9
271.20636	2.0
285.22116	2.9
334.33557	1.4
337.25848	1.7
363.25208	2.1
377.26971	2.1
379.29910	9.7
387.28766	1.6
397.30933	13.4
415.31995	5.5
433.33102	2.9
471.34689	12.7
489.35712	99.7
490.36194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01859	0.7
55.05313	0.4
55.05515	3.8
57.03425	1.9
57.07056	0.5
60.03949	0.4
63.01812	0.3
64.85239	0.3
65.03934	0.8
65.78986	0.4
67.05501	13.7
67.07502	0.3
68.32549	0.4
69.07059	4.2
70.42577	0.3
70.64536	1.2
71.04981	0.7
79.05492	6.2
81.06583	0.7
81.07050	12.5
83.04949	0.4
83.08612	2.9
85.84676	0.4
91.05475	12.7
93.07040	6.4
95.04945	1.4
95.08599	12.6
97.06508	2.0
97.10141	1.1
98.21458	0.4
105.07020	2.5
107.08591	3.8
109.10131	5.1
111.08078	1.6
117.07009	0.8
119.04937	21.4
119.08575	2.5
121.10110	5.2
123.08037	0.5
123.11748	1.8
125.09670	0.5
131.08589	1.8
133.10138	3.5
135.11684	3.0
137.09700	0.7
145.10130	1.4
147.04401	100.0
147.11662	0.9
148.04764	1.5
149.13246	1.5
151.11110	0.9
159.11749	0.8
165.05461	17.5
173.13248	0.7
187.14749	0.5
194.48247	0.3
215.17877	2.6
221.08080	1.3
233.19060	1.4
251.20042	2.6
261.03741	0.4
325.23697	11.7
489.28128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.3
57.07064	7.1
61.02924	4.7
67.05511	33.3
69.03423	14.1
69.07057	39.2
69.70076	30.6
70.06586	6.5
71.04996	5.7
79.05488	17.9
81.07055	100.0
83.04974	4.1
83.08619	16.0
83.32451	4.0
85.02901	46.7
85.06541	11.8
86.09696	8.5
91.05475	16.7
93.07043	44.4
95.04958	8.7
95.08603	93.6
97.02878	9.9
97.06497	6.8
97.10152	11.8
99.04439	6.0
99.08097	15.2
105.07040	23.5
107.08587	42.4
109.02842	5.1
109.10153	58.0
111.08043	11.4
111.11737	8.6
115.05501	3.8
117.07061	4.4
119.08578	17.7
121.10157	37.5
123.04523	7.2
123.11678	39.6
125.09671	4.4
127.03889	16.0
131.08557	5.4
133.02809	6.6
133.10101	11.2
135.11687	25.1
137.06015	24.0
137.13258	16.4
139.03970	4.6
145.04955	14.3
147.11638	6.3
149.13239	29.8
151.14783	7.6
153.12735	4.7
163.06012	6.6
163.14807	17.2
165.09109	5.7
167.10677	5.0
177.16382	17.2
179.10603	4.2
189.09158	5.2
189.16377	10.6
191.17969	8.0
198.80762	4.6
203.18002	6.4
205.19528	7.9
217.19539	9.0
223.13232	5.9
253.07724	3.9
259.12057	4.6
273.25665	13.2
273.28564	5.1
287.23181	4.4
291.26749	22.3
312.87241	4.3
327.08539	16.3
327.12259	5.2
417.29962	5.9
448.72607	4.5
489.23325	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	489.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01856	8.5
55.05516	8.9
67.05497	8.3
69.03412	31.7
69.07034	6.6
70.06591	8.9
71.04996	13.8
71.31216	12.2
72.08171	10.2
78.54632	6.3
81.03407	14.8
83.04976	13.6
85.02901	52.3
87.00828	18.4
91.05448	16.8
95.08604	18.2
97.02890	18.9
105.01864	12.7
105.07038	21.1
107.08605	24.5
109.02868	16.5
109.06542	13.1
118.51554	6.7
119.08580	97.4
120.39589	6.4
121.10145	15.9
123.08046	7.7
127.03925	24.7
131.08580	13.9
133.10104	9.2
135.08089	16.5
135.11682	31.3
137.09612	22.3
139.25949	7.1
144.09343	11.1
145.04984	18.0
145.10141	14.6
147.08028	12.8
149.13246	7.0
156.63628	6.4
159.11697	70.4
163.11217	35.3
165.09024	8.4
177.12761	51.8
187.11201	39.2
195.13702	7.6
205.12256	100.0
223.13261	43.0
264.62057	7.4
429.19733	15.0
505.22913	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	489.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60442	8.0
51.97561	8.2
53.31739	8.5
62.65646	9.8
69.03416	27.4
70.75265	30.2
71.04986	11.5
81.03413	28.6
83.04963	14.9
85.02918	46.8
86.09681	9.0
87.00811	15.1
89.70113	8.4
91.05473	9.2
93.07048	11.3
95.08576	13.5
97.02901	17.1
99.53174	8.4
100.50256	9.5
105.01879	11.1
105.07027	22.4
107.08572	32.9
109.02850	22.4
117.07034	13.2
119.08575	100.0
121.10081	19.6
127.03916	21.1
131.08589	13.8
133.10162	12.4
135.08055	26.5
135.11676	24.4
137.09613	24.6
144.09340	14.3
145.04965	19.1
145.10143	18.9
147.08034	15.4
159.02960	17.1
159.11682	94.4
163.11180	30.3
165.09082	19.3
170.97247	9.5
175.24463	8.5
177.12788	50.2
187.11130	22.8
195.13924	10.2
196.37607	9.1
205.12225	88.4
223.13312	41.5
257.07864	10.0
420.81241	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	489.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33147	1.9
52.46609	2.1
53.03922	3.7
55.01862	2.8
55.05502	15.7
57.03433	23.2
57.07065	4.5
65.03920	5.1
67.05502	79.0
69.07060	17.8
70.64650	5.2
71.08605	4.0
79.05487	51.7
81.07056	77.2
83.08612	9.8
85.06519	3.7
91.05476	33.2
93.07040	68.7
93.07634	3.8
95.04945	7.8
95.08602	63.8
97.06509	3.8
97.10165	5.4
98.98463	100.0
105.07009	26.5
107.08591	46.0
109.06477	2.3
109.10159	35.0
111.08053	3.5
116.99517	2.5
117.07021	9.9
119.08559	27.4
121.10143	32.6
122.36028	2.1
123.08057	2.9
123.11699	10.8
125.09641	2.1
129.06961	2.9
131.08551	23.5
133.10127	21.6
135.11687	24.8
136.99957	5.2
137.09541	2.4
137.13210	6.4
140.69174	1.8
143.08525	3.6
145.10120	18.3
147.10675	2.0
147.11659	13.8
149.09596	3.1
149.13269	18.9
151.11032	1.9
151.14809	2.3
155.01039	77.7
157.10112	4.2
159.11682	13.4
161.13239	11.9
163.11148	2.3
163.14787	8.3
171.11713	3.6
173.02072	2.3
173.13174	11.3
175.14815	4.1
177.16364	3.6
185.13231	2.9
187.14842	6.6
189.16412	2.3
197.49059	2.2
201.16435	3.5
211.03633	4.2
217.15627	2.1
219.17297	2.0
229.04732	6.4
232.00613	2.1
233.22614	2.5
243.21097	25.5
257.87775	2.1
261.22101	48.2
275.20251	2.4
299.23486	2.8
317.24811	17.8
335.25775	98.5
336.26068	6.1
346.58069	2.1
379.29526	2.5
415.22137	4.2
471.25049	13.1
489.35034	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	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01862	1.1
55.05510	4.4
56.96545	0.8
57.03427	1.5
57.07062	2.6
61.02920	1.1
61.35264	0.6
65.03926	1.1
67.05499	13.4
69.03407	2.4
69.07059	11.1
69.50581	6.3
71.08643	1.0
73.02887	0.9
74.36126	0.8
79.05481	12.3
81.03416	3.3
81.07047	100.0
82.07391	1.8
83.08616	3.9
85.02895	10.4
87.00826	3.7
91.03908	0.8
91.05455	4.9
93.07034	24.0
95.04974	1.5
95.08596	37.3
96.08907	0.9
97.02885	8.5
97.10168	2.2
99.04436	1.4
103.95200	0.8
105.01852	10.8
105.07016	2.8
107.08576	15.7
108.04474	1.2
109.02856	4.0
109.09456	1.4
109.10147	17.3
110.10468	0.8
111.11720	1.4
113.77293	0.7
117.06921	0.8
119.04935	1.8
119.08559	1.8
121.10127	34.4
122.10525	0.7
123.11689	10.5
127.03083	1.2
127.03909	12.8
131.08586	1.0
133.10132	1.0
135.11670	9.8
137.13245	10.5
145.04965	8.3
145.10175	1.3
147.04376	6.5
147.11668	0.8
149.13237	22.7
159.02870	2.3
159.11703	0.8
163.14742	1.6
173.13292	0.9
205.19530	6.3
231.04984	3.5
249.06085	1.6
284.09924	1.2
396.29776	1.1
407.77496	0.7
444.35086	0.8
488.27469	1.2
488.34506	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	488.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.7
57.03423	11.9
69.07056	4.9
70.06595	8.0
70.64154	10.3
71.04992	72.2
72.08130	4.4
73.02918	3.5
75.04477	6.3
78.04516	2.7
83.04966	11.4
83.82537	2.9
84.08130	3.2
85.02898	100.0
86.09687	10.9
87.04491	3.2
97.02881	4.4
99.08090	5.0
110.07102	3.1
111.04436	6.4
117.09118	46.7
121.02879	3.6
127.03911	4.2
129.05469	37.9
147.06534	18.4
163.09618	14.4
222.78217	2.9
243.06464	4.0
255.12241	7.9
281.04282	3.5
286.04745	9.5
287.05457	28.5
299.05316	9.8
326.06561	34.5
434.74005	3.3
460.21878	3.1
492.97958	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	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.5
55.05506	12.4
55.11522	2.3
57.07058	3.8
67.05495	22.6
69.03417	4.6
69.07072	16.6
69.29976	5.2
69.30380	23.4
79.05062	3.0
79.05488	21.3
80.26734	2.1
81.03425	3.1
81.07053	100.0
82.86773	2.7
83.08630	5.8
85.02912	13.4
87.00815	6.0
91.05463	15.3
93.07045	47.9
95.04979	2.5
95.08596	54.7
97.02886	9.6
97.10123	5.5
105.01852	9.2
105.07011	8.0
107.08594	28.2
109.02879	3.0
109.10152	36.5
111.11708	4.3
119.04922	10.9
119.08579	4.9
121.10136	90.2
122.10469	3.4
123.11716	14.5
127.03905	12.3
133.10165	3.4
135.11693	19.6
137.13217	6.8
145.04927	10.1
146.99600	2.9
147.04393	41.4
149.13258	39.4
159.02948	2.9
165.05544	2.9
205.19455	14.5
231.04916	5.2
249.05971	2.8
302.82455	2.5
307.15262	2.5
321.75012	2.8
325.23697	5.6
411.26318	2.3
451.07431	6.2
509.62924	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	488.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31734	0.6
53.03932	1.1
55.01862	0.7
55.05505	1.2
57.07066	6.0
61.02927	0.6
66.59686	0.6
67.05489	1.7
69.03412	2.1
69.07047	1.2
71.04960	0.8
71.57607	0.9
73.02907	1.1
79.05476	1.1
81.03401	2.3
81.07052	2.0
85.02899	3.4
86.06101	0.7
87.00797	1.2
91.05466	2.0
93.07005	1.3
95.08602	1.7
97.02875	2.6
99.04474	0.8
105.01859	1.2
105.07011	1.1
107.08593	1.6
108.04461	0.7
109.02905	1.2
119.08572	1.5
121.02872	3.0
121.10123	0.8
123.08121	0.6
126.05513	0.6
127.03911	1.8
129.07002	0.7
133.10110	0.7
137.05998	0.7
145.04961	0.9
145.10107	1.4
149.02333	100.0
149.81956	0.6
167.03387	8.5
190.05095	0.7
192.62642	0.6
205.08615	1.2
205.15707	0.8
216.95097	0.6
223.09641	11.8
223.77211	0.6
260.10388	0.7
363.92825	0.6
381.01086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
53.57470	0.4
55.01863	1.1
55.04588	0.4
55.05493	0.6
57.07073	5.3
61.02898	0.5
65.03930	0.9
67.05511	0.5
68.42445	0.4
69.03423	2.5
69.07050	0.9
71.04975	0.5
71.57639	0.7
72.08159	0.4
76.02182	0.4
79.05476	0.9
81.03410	2.5
81.07045	1.4
85.02912	3.7
86.06051	0.5
87.00821	1.4
91.05459	1.1
93.07032	1.4
95.04976	0.6
95.08597	1.4
97.02871	1.4
97.06554	0.6
99.04456	0.9
105.01872	1.0
105.07026	1.2
107.08598	0.7
108.04497	0.5
109.02874	1.8
109.10107	0.7
111.04464	0.6
119.08556	1.4
121.02872	2.6
121.03677	0.4
121.10147	0.5
127.03900	2.1
133.10106	0.6
137.05919	0.4
145.04918	1.1
145.10106	0.6
147.11623	0.6
149.02328	100.0
149.09544	0.5
150.02707	0.7
159.02888	0.7
163.11183	0.5
167.03384	8.7
175.14804	1.3
186.43202	0.4
187.14777	0.4
190.04993	0.5
205.08614	1.6
205.15794	0.6
223.09642	17.4
231.04967	0.6
488.23383	0.5
511.47501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19672	2.6
52.12591	2.5
53.03942	3.7
55.01865	10.5
55.05267	3.4
55.05510	37.9
56.96584	4.0
57.03437	4.7
57.07080	4.7
57.78789	2.9
61.02922	4.9
63.00447	2.5
65.03950	4.7
67.05503	61.8
69.03422	4.3
69.07066	32.2
71.04974	9.6
71.57329	3.7
71.72071	2.6
75.57522	3.2
76.00169	2.6
79.05499	52.5
81.03405	6.7
81.07053	100.0
83.04987	9.5
83.08614	18.5
85.02900	3.7
85.06546	6.1
91.05478	66.0
93.07041	50.7
95.04953	11.4
95.08604	45.2
97.02892	5.6
97.06530	13.8
97.10187	9.0
103.05415	3.5
105.07028	69.7
107.04991	6.5
107.08590	29.9
109.06509	10.3
109.10148	19.7
111.08054	4.1
111.32417	3.1
115.05511	3.0
115.96916	2.9
117.07017	30.6
119.08575	58.8
121.06498	9.0
121.10133	28.4
123.08071	6.2
123.11700	15.5
125.09668	3.7
127.03941	3.9
128.06212	6.6
129.06993	23.5
131.08572	46.8
133.06497	5.3
133.10129	36.6
135.08046	5.4
135.11700	13.6
137.09583	3.6
137.67986	3.6
141.07001	11.4
142.07756	5.2
143.08543	25.6
145.06462	6.7
145.10143	31.6
147.08051	5.4
147.11684	47.0
149.09613	8.4
149.13237	3.6
151.11252	3.6
154.07785	3.6
155.08546	11.2
157.10129	31.1
159.11673	21.5
161.09642	5.3
161.13260	5.1
163.11188	3.7
165.12779	18.9
167.08546	6.2
169.10132	16.3
171.11702	19.8
171.78543	2.8
173.09694	4.3
173.13260	11.6
183.11621	15.0
185.09634	3.9
185.13245	13.1
187.14877	4.4
193.12213	4.4
195.11708	8.0
197.13242	12.7
199.14796	5.7
201.12740	3.5
207.11714	4.8
209.13246	5.4
211.14789	5.4
225.16290	3.0
267.08932	4.0
269.10538	4.0
275.20016	12.8
281.19049	3.4
285.10089	5.3
291.19553	5.8
299.23666	3.4
313.21564	5.5
321.22568	3.5
325.21481	4.0
327.23288	3.7
395.25568	3.8
395.30026	3.6
405.31729	4.2
415.29819	3.9
423.33051	7.5
433.31323	13.9
441.33527	4.1
451.32056	32.6
452.32321	3.9
459.34726	4.5
469.33102	54.5
470.33640	3.6
487.34280	87.5
488.34265	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	487.3418
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
51.19672	2.6
52.12591	2.5
53.03942	3.7
55.01865	10.5
55.05267	3.4
55.05510	37.9
56.96584	4.0
57.03437	4.7
57.07080	4.7
57.78789	2.9
61.02922	4.9
63.00447	2.5
65.03950	4.7
67.05503	61.8
69.03422	4.3
69.07066	32.2
71.04974	9.6
71.57329	3.7
71.72071	2.6
75.57522	3.2
76.00169	2.6
79.05499	52.5
81.03405	6.7
81.07053	100.0
83.04987	9.5
83.08614	18.5
85.02900	3.7
85.06546	6.1
91.05478	66.0
93.07041	50.7
95.04953	11.4
95.08604	45.2
97.02892	5.6
97.06530	13.8
97.10187	9.0
103.05415	3.5
105.07028	69.7
107.04991	6.5
107.08590	29.9
109.06509	10.3
109.10148	19.7
111.08054	4.1
111.32417	3.1
115.05511	3.0
115.96916	2.9
117.07017	30.6
119.08575	58.8
121.06498	9.0
121.10133	28.4
123.08071	6.2
123.11700	15.5
125.09668	3.7
127.03941	3.9
128.06212	6.6
129.06993	23.5
131.08572	46.8
133.06497	5.3
133.10129	36.6
135.08046	5.4
135.11700	13.6
137.09583	3.6
137.67986	3.6
141.07001	11.4
142.07756	5.2
143.08543	25.6
145.06462	6.7
145.10143	31.6
147.08051	5.4
147.11684	47.0
149.09613	8.4
149.13237	3.6
151.11252	3.6
154.07785	3.6
155.08546	11.2
157.10129	31.1
159.11673	21.5
161.09642	5.3
161.13260	5.1
163.11188	3.7
165.12779	18.9
167.08546	6.2
169.10132	16.3
171.11702	19.8
171.78543	2.8
173.09694	4.3
173.13260	11.6
183.11621	15.0
185.09634	3.9
185.13245	13.1
187.14877	4.4
193.12213	4.4
195.11708	8.0
197.13242	12.7
199.14796	5.7
201.12740	3.5
207.11714	4.8
209.13246	5.4
211.14789	5.4
225.16290	3.0
267.08932	4.0
269.10538	4.0
275.20016	12.8
281.19049	3.4
285.10089	5.3
291.19553	5.8
299.23666	3.4
313.21564	5.5
321.22568	3.5
325.21481	4.0
327.23288	3.7
395.25568	3.8
395.30026	3.6
405.31729	4.2
415.29819	3.9
423.33051	7.5
433.31323	13.9
441.33527	4.1
451.32056	32.6
452.32321	3.9
459.34726	4.5
469.33102	54.5
470.33640	3.6
487.34280	87.5
488.34265	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	487.3416
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
61.02899	12.5
67.05500	18.1
69.03411	10.1
69.07084	15.0
69.39352	100.0
71.16807	8.3
79.05486	19.6
81.07052	44.2
81.57848	10.1
83.73517	9.6
86.24072	11.1
91.05485	20.8
93.07040	33.1
95.08598	44.3
98.21510	21.5
105.07047	52.0
107.08595	50.3
109.10140	33.0
119.08572	45.4
121.10155	43.6
123.11671	14.2
131.08601	16.7
133.10133	44.7
135.11684	12.6
145.05003	11.2
145.10120	33.7
147.11694	44.3
149.13254	24.8
159.11674	11.7
163.14836	19.1
164.52971	12.7
173.13283	23.6
175.14861	36.2
177.16412	19.4
187.14871	16.6
189.16353	27.2
191.14310	28.6
201.16374	13.1
203.17966	91.3
217.19595	11.4
219.13739	12.3
265.74356	11.8
275.03366	9.6
373.19400	10.2
395.33047	30.7
423.32599	38.8
441.33511	59.4
506.61618	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	487.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.9
58.60357	11.3
69.07063	23.1
69.18214	9.6
79.05532	10.6
81.07045	37.0
91.78313	12.6
93.07034	45.4
95.08580	63.6
105.07013	34.5
107.08588	48.7
109.10131	27.2
115.45367	11.0
119.08572	65.0
121.06536	13.4
121.10106	37.8
123.11736	11.5
127.91289	11.1
131.08516	19.7
133.10133	63.8
145.10100	25.2
147.11664	44.5
149.13298	29.8
159.11696	11.6
161.09729	16.6
161.13246	15.2
163.14792	32.9
173.13271	24.4
175.14861	55.3
177.16402	23.7
187.14760	29.1
189.16400	39.1
191.14325	70.0
201.16522	13.8
203.17975	100.0
221.15309	14.0
395.32843	43.4
397.34500	35.9
423.32437	42.1
441.33493	83.9
468.71463	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	487.3413
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05507	13.0
57.07059	6.7
61.02922	12.6
67.05505	32.4
69.03435	11.9
69.07058	24.8
69.52579	17.6
69.53002	35.1
71.04970	8.2
73.02954	5.3
79.05491	19.9
81.03427	9.6
81.07047	51.4
83.04969	13.8
83.08621	13.4
85.02905	27.1
85.06531	6.3
85.42701	5.7
91.05460	32.3
93.07039	34.9
95.04955	18.3
95.08598	66.5
97.02876	15.6
97.06543	5.9
98.21474	8.7
99.04497	9.6
105.07031	73.5
106.07392	6.2
107.08605	50.4
109.02844	5.6
109.10149	39.4
117.22920	6.6
119.08569	56.2
121.06497	6.6
121.10146	46.6
122.53530	6.4
127.03919	9.3
131.08568	26.7
133.10138	52.5
135.11702	19.0
137.05927	12.1
143.08525	9.6
145.10144	26.6
147.04396	11.0
147.11710	46.1
149.05983	8.1
149.13249	28.0
157.10130	10.4
159.11694	17.8
161.09633	12.1
161.13301	15.1
163.14844	22.3
171.11626	6.4
173.06036	6.0
173.13307	22.6
175.14793	54.0
177.05507	8.0
177.16411	31.6
187.14748	32.1
189.12691	13.8
189.16371	35.9
191.14288	44.4
191.17972	14.7
201.12881	5.9
201.16425	15.2
203.17944	100.0
217.19475	9.0
221.15457	13.7
231.21284	7.0
249.18390	6.8
325.10721	8.0
377.31964	8.6
395.33078	59.1
397.34552	24.3
423.32574	41.2
441.33627	68.7
469.32895	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	487.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.05499	19.8
67.05491	26.5
69.03432	21.5
69.07055	24.4
69.59535	4.8
71.05016	8.5
71.16827	10.9
76.02208	18.9
79.05470	15.1
81.03420	12.1
81.07040	50.4
83.08610	12.5
84.04481	9.2
85.02891	23.0
87.00793	7.1
91.05474	13.2
91.29396	3.8
93.07049	29.4
95.08588	35.2
96.08958	7.1
97.02888	14.2
97.06503	6.2
99.08054	5.0
105.01873	4.5
105.07008	23.0
107.08566	36.1
109.02876	9.2
109.06493	9.5
109.10180	28.2
119.04897	5.9
119.08577	23.0
121.06508	4.9
121.10139	11.5
123.08073	10.2
123.11697	23.5
127.03873	7.6
127.11162	5.9
128.52112	4.7
131.08516	8.5
133.02802	5.2
133.10118	12.0
135.11633	25.6
137.05954	6.0
145.10143	5.5
147.11696	4.8
149.05959	4.5
149.13280	14.7
151.14857	5.7
155.90771	5.1
159.02846	4.6
159.11647	6.2
161.13304	11.4
162.02162	7.7
162.13603	5.0
167.27533	4.5
171.11591	5.7
173.09767	4.3
177.05507	5.9
179.04829	15.2
179.14304	15.3
180.14662	14.7
203.17949	9.7
205.19536	6.5
209.64883	4.2
221.19003	11.8
300.43619	5.6
304.80521	5.5
412.19754	5.9
487.21484	100.0
488.21585	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	487.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.24144	0.6
59.94130	0.8
63.21701	0.7
67.04285	0.7
67.05500	1.5
69.03417	1.8
69.07058	1.7
69.89926	3.3
75.09689	0.7
79.05509	1.7
81.03414	1.9
81.07050	3.2
85.02893	3.2
87.00823	0.8
91.05462	2.0
93.07036	2.2
95.04947	0.9
95.08599	2.7
97.02876	0.8
105.07035	3.1
107.08583	2.6
107.97545	0.8
109.02844	0.9
109.06507	0.7
109.10132	1.2
119.08561	2.1
121.10131	2.1
127.03905	1.8
133.10114	2.5
135.11687	1.1
147.11690	1.7
159.11679	0.9
175.14835	1.8
189.16432	1.5
219.58235	0.7
221.19031	2.8
227.05286	0.9
239.16324	1.7
245.06418	0.7
289.05130	0.9
313.16357	2.8
325.10745	1.0
355.17227	5.1
366.12195	0.8
399.16110	4.5
401.21542	4.7
441.33572	0.9
443.22461	22.0
444.23050	1.1
485.11920	0.8
487.21500	100.0
487.33823	9.2
488.21887	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	486.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53513	0.8
50.58152	0.9
51.68507	0.9
51.68770	0.9
55.05510	8.9
56.05026	1.7
57.03429	1.2
57.07065	1.3
58.99582	14.4
61.01125	0.9
67.05502	35.8
69.03416	2.1
69.07069	4.3
70.06589	0.8
70.70193	1.0
70.70522	2.0
71.04987	0.8
73.47385	0.9
76.02224	72.4
76.03997	2.2
79.05486	10.9
79.18067	0.8
81.07051	25.8
83.04979	1.2
83.06096	2.7
83.08601	3.4
84.04498	23.6
85.01105	2.5
85.06531	1.3
86.99046	4.4
87.02673	1.5
88.02195	1.5
91.05487	6.4
93.07040	11.3
95.04980	4.7
95.08601	48.1
99.05606	1.5
105.07025	9.3
107.08599	5.6
109.06477	4.4
109.10151	25.9
113.04209	2.6
116.01673	26.1
117.07006	2.1
119.08573	13.9
121.10151	3.2
123.08061	3.2
126.09138	1.1
129.06593	1.9
130.04993	6.3
130.06871	3.1
130.08656	1.2
131.08496	1.5
133.10071	4.3
134.09644	3.5
135.11656	1.6
137.06058	1.0
137.09607	3.1
139.05750	2.2
141.07300	1.9
142.03198	5.9
144.01161	11.4
145.06102	2.4
145.10175	1.0
147.07997	1.1
151.05635	0.9
151.14812	19.7
156.08420	1.0
161.09663	1.0
161.13254	15.0
162.02197	42.9
167.05249	1.9
170.02724	3.5
179.04843	100.0
179.14304	32.7
187.05363	3.6
203.14281	2.8
215.04851	1.1
216.06873	1.9
233.05911	17.8
233.09619	2.7
236.14719	4.4
237.13058	4.7
245.05824	2.8
254.15797	1.6
290.17618	1.0
291.06470	2.9
301.12335	1.0
308.09058	13.7
339.17319	11.1
345.52512	0.9
357.18643	1.1
393.18384	3.3
409.11197	1.2
411.19452	13.0
411.28046	0.9
412.19342	1.0
468.21725	5.5
486.22583	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	485.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.8
57.03435	4.5
57.07077	22.0
57.77049	1.8
67.05492	7.1
68.98510	2.0
69.07063	4.1
71.08625	15.7
71.58273	2.5
77.26264	1.8
81.07057	6.1
81.42799	2.3
83.08636	5.5
85.10165	8.3
85.33942	1.8
95.08604	13.6
97.10158	2.9
98.98460	17.3
109.10125	5.3
155.01036	12.5
188.49582	1.9
196.94826	1.9
313.27365	100.0
449.26520	4.6
485.28891	5.6
485.37372	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	486.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00280	0.6
53.03942	1.0
55.01854	1.5
55.05263	0.8
55.05507	11.0
56.05018	1.7
57.03422	2.5
57.07059	1.9
57.98798	0.9
58.99583	17.8
59.05005	0.5
65.03936	1.7
67.05503	42.6
67.94835	0.5
68.05839	0.7
69.03413	2.5
69.07059	6.6
69.36678	5.0
70.06584	1.5
71.04978	1.7
72.08152	1.3
73.01156	0.9
74.00648	1.1
76.02225	70.5
76.03990	3.4
76.20256	0.5
79.05064	0.9
79.05491	10.6
80.05013	0.9
81.03416	0.9
81.07053	31.0
83.04967	1.6
83.06100	5.5
83.08620	2.9
84.04504	26.0
85.01117	1.9
85.06563	1.2
86.99047	5.2
87.02678	1.4
88.02224	2.9
91.05476	8.5
93.06480	0.8
93.07043	14.3
95.04972	6.4
95.08604	51.2
96.08955	0.7
97.06527	2.3
99.05561	1.6
105.07026	10.5
107.08585	7.4
108.08086	1.3
109.06514	4.4
109.10154	31.2
112.03960	1.0
113.04234	3.1
114.03696	0.7
115.06517	0.6
116.01672	26.3
117.07005	2.9
119.08579	13.6
121.10124	4.1
123.08070	6.1
129.06561	5.0
130.04977	8.1
130.06847	3.6
130.08626	1.4
131.08531	1.4
133.06473	0.7
133.10129	5.1
134.09612	2.8
135.08051	1.7
135.11697	2.0
137.09639	4.9
137.13286	0.7
139.05748	1.9
141.04814	1.7
141.07306	1.1
142.03214	6.2
143.08578	0.6
144.01141	13.3
145.06070	1.0
145.10153	0.7
147.11682	1.1
149.09622	1.1
151.14818	21.0
153.06519	0.8
156.08331	1.0
157.10103	1.0
161.04179	0.5
161.09636	1.8
161.11987	0.5
161.13249	12.9
162.02200	47.0
167.05252	0.9
170.02704	3.5
176.14342	1.3
177.05399	0.6
177.12761	0.8
177.15099	0.9
178.15933	1.3
179.04851	100.0
179.14307	39.6
180.05042	0.7
180.14612	0.9
187.05363	4.0
194.11710	0.6
199.07147	0.8
203.14346	1.1
215.04831	1.7
216.06889	1.6
219.12032	0.6
233.05894	19.7
233.09592	1.9
236.14703	3.8
237.13051	2.6
245.05949	3.6
254.15828	0.9
282.75333	0.6
290.17542	0.8
291.06363	2.2
308.09091	12.3
339.17358	11.6
339.21152	1.0
357.18338	1.0
365.33557	0.6
393.18359	2.0
411.19485	17.9
468.21457	3.5
486.22784	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.05988	0.6
55.01860	1.0
55.05479	0.9
56.05016	0.7
56.96550	1.0
57.03421	2.6
57.57429	0.7
60.90604	0.8
61.02902	1.1
63.02372	0.9
67.05500	1.2
69.03420	1.4
69.07061	0.9
70.06577	2.9
70.08356	0.6
71.04991	22.6
71.56655	1.2
74.06730	0.7
75.04458	1.5
78.04680	1.2
79.05479	1.9
81.03394	2.8
81.07033	3.1
83.04970	2.7
85.02902	30.7
86.09692	2.1
89.03910	10.4
91.05460	2.9
93.07011	2.5
93.20860	0.6
95.04942	1.9
95.08595	1.2
97.02880	2.6
97.06500	1.4
99.04443	1.5
103.05457	0.8
104.10720	0.8
105.07009	1.6
107.08553	1.3
109.02870	2.4
109.10135	1.4
111.04410	1.7
114.54489	0.8
117.03379	24.0
117.06956	0.8
119.08594	1.7
121.10107	2.1
123.04337	0.7
125.00001	0.8
127.03911	2.6
129.05476	6.2
131.08542	0.8
133.10127	1.3
134.03619	1.7
134.05960	0.7
135.04402	2.3
137.05972	2.7
143.08481	0.8
145.02838	54.6
145.10106	1.1
146.03220	0.9
147.04378	2.2
147.06540	1.0
149.05957	7.5
157.10097	0.9
158.06062	0.8
159.11548	0.9
163.03865	1.3
177.05466	100.0
178.05849	3.4
179.06978	0.8
184.07347	3.8
185.07666	1.4
186.05420	1.3
189.12766	0.9
190.13069	0.7
195.06499	1.5
219.13792	0.8
219.17438	1.1
237.14845	1.9
259.09775	1.3
339.10797	1.2
375.05542	2.4
393.06714	1.1
485.20087	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	485.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01864	1.3
57.03432	5.3
61.02924	1.1
63.02394	0.9
69.03435	4.9
69.48374	8.3
70.06617	1.5
71.04989	22.6
73.02924	2.2
75.04433	1.2
79.05495	1.9
81.03426	6.4
81.07073	2.1
83.04988	2.5
85.02901	34.5
86.09734	1.0
87.00824	1.8
87.04466	1.4
89.03914	8.0
91.05500	2.4
93.07081	1.6
95.04979	1.5
95.08574	1.3
97.02892	4.6
99.04461	1.5
105.01907	1.2
105.07033	1.9
107.08607	2.2
107.83931	1.0
109.02875	3.2
109.06563	1.4
111.04421	1.0
115.03928	4.7
117.03378	23.7
117.07028	0.9
119.08567	2.1
127.03915	5.8
129.05467	6.5
129.07025	1.3
131.08583	1.2
133.10182	1.3
134.03645	2.3
135.04443	2.8
135.08105	1.3
135.11732	1.0
137.06006	3.5
143.08545	1.0
145.02837	55.0
146.03232	1.4
147.04384	0.9
147.06526	1.3
149.05968	8.6
151.07605	1.5
159.11745	4.0
161.09744	1.1
175.07510	1.5
177.05460	100.0
177.12724	2.0
178.05901	1.6
179.07076	1.4
179.94975	0.9
186.05591	1.3
195.06610	2.4
201.34140	1.0
203.10699	1.7
207.06616	1.1
219.10249	1.8
219.13805	3.5
237.14925	2.5
287.08994	1.0
323.14664	1.8
339.10822	1.5
347.52048	1.0
485.20090	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.07073	14.0
58.06594	0.9
67.05482	1.6
69.07052	2.2
70.06588	13.5
71.08626	6.5
73.02906	1.1
75.13851	0.5
81.07056	2.8
83.08615	2.3
83.36903	0.7
85.10181	3.5
88.07625	15.7
91.95113	0.7
95.08584	3.0
97.10185	0.8
98.21538	1.5
98.86372	0.6
102.09180	10.7
109.10146	1.5
109.71083	0.6
172.90645	0.7
228.23216	44.6
229.23564	1.1
246.24353	2.8
255.23219	3.1
256.26385	2.3
257.07272	0.8
283.26315	43.4
284.26752	0.9
309.79303	0.7
379.29636	0.7
484.47241	100.0
485.47610	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	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.07075	20.7
58.06593	2.0
67.05492	3.8
69.07053	3.1
70.06594	18.8
71.08627	10.9
73.02901	2.9
81.07036	2.1
83.08628	2.6
85.10165	4.5
88.07629	21.4
91.73135	0.9
95.08619	3.7
97.10155	1.2
102.09174	14.8
103.11915	0.9
109.10173	1.3
113.02373	0.8
120.37124	1.0
140.20692	0.9
161.17032	0.9
200.20085	34.8
218.21010	2.2
228.23212	21.0
229.74651	0.9
243.97794	1.1
246.24266	1.6
254.21603	1.1
255.23172	1.1
256.26361	1.3
283.26346	19.6
311.25790	2.0
311.29419	32.5
417.02783	1.0
484.47244	100.0
485.47903	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	484.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50154	10.3
50.67106	8.1
53.98411	9.0
55.05507	19.8
57.03429	9.8
67.05486	36.3
69.07074	12.7
70.15874	9.2
71.40221	20.0
71.40559	10.5
79.05484	52.9
80.05013	9.3
81.03408	10.6
81.07065	49.5
83.05002	10.8
83.08607	13.8
84.04501	19.3
85.02907	15.6
91.05487	93.1
93.07041	61.4
94.02922	10.7
94.18124	9.2
95.04958	29.7
95.08591	31.5
96.08109	16.3
97.02879	15.5
103.05430	19.5
105.03371	12.3
105.07034	91.4
106.06540	22.5
107.08586	47.3
108.08089	15.8
109.10153	36.0
110.02431	11.9
110.06052	9.3
114.01862	19.2
115.05415	24.4
117.05766	14.6
117.07025	38.1
118.06506	12.9
119.08575	100.0
121.10143	61.0
122.06051	12.1
123.11768	10.5
124.03887	10.8
124.07659	15.3
128.03423	12.5
128.06210	35.7
128.25575	8.7
129.07002	34.5
130.04991	13.9
130.07755	10.9
131.08556	51.6
132.08092	19.5
133.10120	58.6
134.06036	18.1
135.11687	15.8
136.07561	18.1
138.01866	51.3
138.05418	10.9
140.03424	36.7
142.07776	32.3
143.08557	88.4
144.08150	10.5
145.10124	72.2
147.11615	12.5
148.07603	10.9
154.07741	11.8
155.08572	14.3
156.09346	42.5
157.10115	58.6
159.11656	23.2
160.09669	10.1
162.05399	10.9
169.10168	57.5
171.11667	51.1
173.13211	42.4
176.07100	21.0
178.05029	57.5
180.06534	28.1
182.10901	12.1
185.13274	10.8
186.09186	11.9
187.14890	12.5
188.05550	29.8
193.16193	10.2
199.14842	66.6
204.06555	23.4
209.13229	25.2
214.06911	11.9
235.14845	15.2
242.84300	8.8
252.08603	98.0
254.10307	52.3
278.10327	13.3
300.15833	9.8
369.08533	9.6
369.33429	10.1
374.19617	32.9
392.20462	18.2
412.23752	10.7
466.26035	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	484.2694
Annotation	Sczukitine
Peak:m/z	Relative Intensity
53.03937	7.0
55.01871	8.0
55.05503	11.1
56.05022	6.2
57.07055	9.7
60.39981	4.5
67.05491	21.5
68.01380	5.8
68.05013	6.5
69.03421	10.3
69.07058	16.2
71.49440	4.7
71.57217	8.3
79.05505	32.4
80.05009	5.6
81.07063	29.5
82.73201	4.5
83.01346	7.2
83.08634	7.5
84.04483	10.7
85.02895	16.7
91.05488	54.7
93.07040	41.0
94.02930	12.9
94.06589	5.3
95.04951	8.6
95.08598	19.6
96.04484	15.8
97.02876	10.9
103.05488	5.7
105.07033	100.0
106.06551	6.8
107.04906	4.2
107.08593	38.2
109.06487	5.9
109.10184	23.6
110.02415	10.5
110.06013	7.1
112.03959	7.0
114.01907	21.7
115.05442	10.5
117.05788	6.4
117.07013	57.0
119.08588	82.7
120.08097	7.6
121.10133	22.2
122.06067	5.3
123.11712	7.0
124.03929	7.9
126.05536	5.4
128.03464	13.5
128.06221	12.3
129.06973	17.9
129.80411	4.2
130.06502	10.5
130.07814	4.2
131.08560	56.2
132.08113	21.5
133.10132	64.6
134.06046	6.7
135.08067	6.9
135.11703	10.2
136.07486	6.4
136.58025	5.1
138.01859	55.5
140.03395	26.1
141.06982	9.4
142.07722	10.7
143.08531	38.1
144.08148	5.7
145.10097	46.1
146.09644	6.8
147.11662	19.4
149.13217	5.8
154.04985	7.4
154.07724	7.0
155.08537	13.6
156.09367	9.4
157.08936	8.6
157.10129	48.2
158.04446	7.1
158.09676	4.9
158.10907	9.7
159.11697	24.9
160.07582	10.2
161.09593	12.8
162.05551	7.9
162.09138	6.1
169.10094	35.2
170.09499	4.9
171.11671	22.9
173.13274	56.9
175.14856	7.8
176.07066	19.8
178.05072	23.9
179.08557	13.2
180.06587	8.4
181.10065	10.4
182.10973	5.8
183.11682	16.0
185.13307	12.7
187.14743	9.7
188.05559	20.3
188.07068	6.2
189.16376	10.8
193.10110	6.4
194.10941	10.5
195.11742	12.0
197.13281	9.3
199.14795	46.2
204.04909	6.3
204.06618	29.5
206.08006	5.8
206.10986	5.6
207.11682	11.0
209.13268	21.5
214.07014	5.5
217.15891	23.4
221.13220	11.4
223.14720	5.9
234.07753	5.9
235.14821	20.2
244.09641	6.1
252.08737	29.3
265.19409	6.4
278.10263	25.3
291.21045	14.0
309.22119	15.3
318.13348	10.0
374.19583	19.2
392.20667	80.8
484.26990	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	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.1
53.04153	2.5
55.01868	7.7
55.05515	10.8
57.03407	5.2
57.07066	1.5
59.97429	1.3
61.02901	2.9
65.12666	1.1
67.05463	5.1
68.99770	2.9
69.03427	32.9
69.07029	4.3
69.59587	7.6
69.79064	1.2
70.06559	3.8
71.04964	4.7
73.02927	6.7
79.05493	5.9
81.03419	35.9
81.07058	12.5
83.04961	2.8
83.08583	1.9
85.02903	49.8
85.06522	1.6
86.09696	2.6
87.00317	1.4
87.00819	20.6
87.04435	1.6
91.03906	3.6
91.05475	9.7
93.07054	8.8
95.04958	8.2
95.08614	6.7
97.02900	17.1
97.06476	3.2
99.04455	10.5
99.41879	1.3
105.01866	15.9
105.07035	15.1
107.04890	1.8
107.08581	6.3
109.02879	32.2
109.06467	4.0
109.10086	4.0
115.03915	1.5
117.01798	4.3
117.06963	1.9
119.08570	13.3
120.08065	3.3
121.06440	3.6
121.10152	9.0
123.04354	1.4
123.08006	3.8
127.03918	46.6
128.06148	2.0
129.01773	4.7
129.06934	1.5
130.07697	1.5
131.04781	1.5
131.08562	7.9
133.10123	14.9
135.07957	1.9
135.11598	3.8
136.07544	3.1
137.05939	2.3
137.09531	2.4
139.03806	1.8
142.07724	1.7
143.08472	3.9
145.04979	15.1
145.06197	2.0
145.10103	6.7
146.07207	1.9
147.02760	4.7
147.08034	9.4
147.11598	5.5
149.09631	15.9
156.09253	1.8
157.10031	5.6
159.02888	17.1
159.08055	1.9
159.11717	6.2
161.09618	19.1
161.13156	2.0
162.10378	10.3
163.11217	6.7
169.04539	1.6
169.09972	2.1
171.11649	3.0
173.09557	1.5
173.13187	3.0
175.11186	6.1
175.14691	3.7
179.10593	4.3
184.07265	3.3
184.12396	1.7
187.11009	4.1
189.16322	4.0
199.14687	4.7
202.13492	2.0
213.03822	2.9
215.10559	2.4
217.15877	100.0
218.16106	2.3
219.17294	4.5
231.04956	9.7
235.16936	8.9
285.37701	1.3
309.16309	1.8
355.11365	1.3
379.12030	5.7
397.12241	2.9
407.11597	3.6
421.13379	2.6
433.09174	2.1
439.14526	9.1
451.10522	2.5
465.17664	1.5
483.17865	57.5
483.28650	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	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.6
57.03437	8.3
57.07080	10.0
58.07985	4.5
60.61960	5.3
63.52449	4.5
69.07061	19.6
69.95904	21.1
69.96316	7.7
71.08605	7.0
83.08634	23.0
97.10179	10.7
98.98454	14.3
110.17929	5.8
155.01015	6.6
172.25578	5.1
264.15591	5.4
311.25854	100.0
364.19568	5.8
404.80981	4.7
424.87665	5.9
447.25116	6.4
482.49121	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	483.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	5.6
55.01834	7.1
55.05508	12.3
57.03384	6.8
57.03632	1.6
61.02902	3.8
67.05503	8.6
68.99737	2.3
69.03430	35.7
69.07020	6.0
70.06544	2.5
70.74023	5.0
71.04950	5.8
71.96783	1.6
72.08089	1.4
73.02915	9.0
79.05489	8.4
81.03416	37.8
81.07051	16.6
83.04927	4.5
85.02899	55.1
85.06491	1.6
86.09654	3.3
87.00828	21.6
91.03892	2.2
91.05446	9.2
93.07027	9.9
95.01283	1.6
95.04943	11.7
95.08601	7.9
97.02892	22.1
97.06444	5.1
99.04461	15.2
105.01866	14.5
105.07024	21.3
107.04890	2.7
107.08598	9.5
109.02872	34.1
109.06459	6.4
109.10077	5.8
115.03918	1.8
117.01795	4.4
117.06912	5.0
119.04858	1.8
119.08564	18.5
120.08007	3.9
121.06450	3.7
121.10144	11.4
123.04285	1.9
123.07970	5.3
127.03915	52.2
128.06184	1.7
129.01776	3.2
129.06929	3.1
131.08456	7.3
133.06488	2.0
133.10123	16.0
135.08000	4.2
136.07535	3.9
136.59723	1.6
137.05875	2.8
139.03770	3.8
142.07661	2.0
143.08466	4.0
145.04967	19.5
145.06039	3.5
145.10104	11.8
146.05919	1.8
147.02837	2.5
147.08034	12.4
147.11684	9.2
149.09596	19.2
151.03761	1.8
155.08467	1.7
156.09344	2.1
157.10092	8.6
158.10788	1.7
159.02899	22.2
159.07961	2.8
159.11662	9.7
161.09634	18.3
162.05238	1.5
162.10271	7.5
163.11163	8.5
169.10118	1.7
171.11525	5.1
173.09450	3.5
173.13126	3.4
175.11115	7.8
175.14723	3.2
179.10570	5.9
184.07170	7.0
184.12355	1.8
187.11070	2.7
187.14711	2.3
189.16284	4.3
199.14618	6.1
215.10550	2.5
217.15865	100.0
219.17349	2.9
231.04947	10.8
233.11688	2.1
235.16893	8.9
326.37823	1.8
347.09842	2.7
379.12503	8.9
397.12665	2.2
407.12149	1.7
414.73553	1.9
421.13190	2.7
433.09595	2.2
439.14624	10.9
451.10779	2.7
465.16956	3.8
483.17813	64.0
484.18393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.1
53.04153	2.5
55.01868	7.7
55.05515	10.8
57.03407	5.2
57.07066	1.5
59.97429	1.3
61.02901	2.9
65.12666	1.1
67.05463	5.1
68.99770	2.9
69.03427	32.9
69.07029	4.3
69.59587	7.6
69.79064	1.2
70.06559	3.8
71.04964	4.7
73.02927	6.7
79.05493	5.9
81.03419	35.9
81.07058	12.5
83.04961	2.8
83.08583	1.9
85.02903	49.8
85.06522	1.6
86.09696	2.6
87.00317	1.4
87.00819	20.6
87.04435	1.6
91.03906	3.6
91.05475	9.7
93.07054	8.8
95.04958	8.2
95.08614	6.7
97.02900	17.1
97.06476	3.2
99.04455	10.5
99.41879	1.3
105.01866	15.9
105.07035	15.1
107.04890	1.8
107.08581	6.3
109.02879	32.2
109.06467	4.0
109.10086	4.0
115.03915	1.5
117.01798	4.3
117.06963	1.9
119.08570	13.3
120.08065	3.3
121.06440	3.6
121.10152	9.0
123.04354	1.4
123.08006	3.8
127.03918	46.6
128.06148	2.0
129.01773	4.7
129.06934	1.5
130.07697	1.5
131.04781	1.5
131.08562	7.9
133.10123	14.9
135.07957	1.9
135.11598	3.8
136.07544	3.1
137.05939	2.3
137.09531	2.4
139.03806	1.8
142.07724	1.7
143.08472	3.9
145.04979	15.1
145.06197	2.0
145.10103	6.7
146.07207	1.9
147.02760	4.7
147.08034	9.4
147.11598	5.5
149.09631	15.9
156.09253	1.8
157.10031	5.6
159.02888	17.1
159.08055	1.9
159.11717	6.2
161.09618	19.1
161.13156	2.0
162.10378	10.3
163.11217	6.7
169.04539	1.6
169.09972	2.1
171.11649	3.0
173.09557	1.5
173.13187	3.0
175.11186	6.1
175.14691	3.7
179.10593	4.3
184.07265	3.3
184.12396	1.7
187.11009	4.1
189.16322	4.0
199.14687	4.7
202.13492	2.0
213.03822	2.9
215.10559	2.4
217.15877	100.0
218.16106	2.3
219.17294	4.5
231.04956	9.7
235.16936	8.9
285.37701	1.3
309.16309	1.8
355.11365	1.3
379.12030	5.7
397.12241	2.9
407.11597	3.6
421.13379	2.6
433.09174	2.1
439.14526	9.1
451.10522	2.5
465.17664	1.5
483.17865	57.5
483.28650	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
54.87017	3.2
55.01867	7.1
55.05508	10.9
57.07074	11.0
59.04987	3.2
67.05492	6.8
69.03427	17.7
69.07066	50.5
71.04977	5.0
71.08630	11.8
71.31543	8.3
73.06554	11.0
79.05495	5.9
81.03408	16.0
81.07041	7.0
85.02897	57.8
85.10168	5.4
87.00820	21.5
89.06027	18.9
93.07039	6.0
95.04963	3.4
95.08606	8.0
97.02875	30.8
99.04473	6.0
105.01872	34.2
105.07023	8.7
109.02887	17.4
109.10138	3.8
111.11707	86.2
119.08582	8.6
123.04462	4.7
127.03898	42.1
129.12752	100.0
133.10130	4.6
139.26741	3.7
145.04938	19.9
159.02869	4.0
185.08936	3.4
199.16969	14.6
217.17932	5.4
231.05049	5.1
233.66370	3.6
280.44580	3.4
306.56152	3.3
358.11954	4.0
482.34894	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	483.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12263	1.3
54.92308	1.3
55.32278	1.2
56.96562	6.7
63.76921	1.3
69.03432	3.2
69.33054	13.7
73.61184	1.1
77.00909	1.4
82.82710	1.3
82.99860	2.5
84.96023	2.2
85.02895	4.6
91.05492	2.3
97.02880	3.3
98.97586	7.3
101.00882	5.5
109.02885	2.1
110.97495	1.4
116.98627	6.3
119.01906	28.5
119.04921	2.6
126.05497	2.3
126.38916	1.5
128.98586	5.1
131.01909	14.4
133.03461	1.8
134.99614	3.3
137.02931	4.5
139.02342	1.4
143.01871	11.9
145.03499	11.6
146.99657	4.3
147.04349	10.2
149.01273	1.8
149.02957	5.2
155.01895	17.8
157.03490	6.9
158.99612	4.4
161.01128	1.7
161.01617	2.3
161.02957	22.4
163.04530	2.9
167.01944	5.8
169.03505	2.5
171.04979	2.0
173.01421	2.6
173.02951	46.9
174.99098	2.0
175.04538	5.8
177.00699	7.1
177.02274	2.9
179.01967	1.9
185.02948	41.5
186.03154	1.6
187.04486	8.2
189.00699	4.2
191.03989	3.7
193.00214	4.1
195.03481	2.1
197.02975	13.8
200.04384	1.6
201.00717	4.9
201.02463	27.1
201.06093	3.0
203.03984	15.8
209.02913	3.3
213.02399	8.6
215.04050	8.5
219.01759	6.3
219.03510	100.0
220.03720	3.0
221.05078	3.2
227.04028	9.8
231.03505	10.3
237.02730	4.6
237.04613	3.9
242.05084	6.2
242.28667	1.4
243.03505	2.3
245.05067	87.4
246.05272	3.3
249.04625	9.6
255.03537	5.9
257.04977	4.4
261.02115	2.0
261.04822	13.7
263.06064	11.6
272.06448	1.8
275.06088	10.9
279.05734	3.9
285.04501	1.8
286.07684	1.6
293.07162	5.4
303.05643	20.1
305.07275	7.7
321.06747	25.0
335.08255	3.2
363.06934	3.0
365.09161	4.0
483.10922	10.7
483.17151	1.7
483.23090	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
53.96736	4.4
55.01869	9.8
55.05503	10.8
57.07066	12.7
63.56921	3.9
68.10836	3.8
69.03439	23.2
69.07069	64.1
71.04986	5.4
71.08621	13.5
71.57176	7.3
73.02930	7.0
73.06542	5.7
76.41770	4.1
79.05491	9.1
81.03403	20.1
81.07042	7.0
85.02906	61.1
85.10171	5.9
87.00835	26.6
89.06042	35.1
91.05449	7.7
93.07019	5.8
95.08605	6.8
97.02900	31.7
99.04457	8.7
105.01851	34.5
105.07015	7.3
109.02876	20.6
111.11718	77.4
112.76209	4.3
119.08585	6.1
127.03928	36.9
129.12756	100.0
142.16556	4.1
145.04976	13.7
159.02925	10.3
199.16966	17.1
217.18057	13.3
223.94220	5.2
226.63795	4.5
231.04947	9.5
346.06424	7.0
405.45749	4.9
482.11493	8.8
482.34915	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69711	4.6
53.03928	6.5
55.05497	14.8
57.03416	6.5
57.07056	17.0
57.58704	5.3
67.05480	15.5
69.03419	24.8
69.07061	67.2
69.52074	13.4
69.52480	25.0
70.06577	4.2
71.04975	6.2
71.08621	17.6
73.02905	12.3
73.06535	11.9
79.05463	9.8
81.03400	19.3
81.07038	20.8
83.08609	11.0
85.02901	63.1
85.10161	6.1
87.00839	26.5
89.06019	29.1
91.05480	6.6
93.07059	12.5
95.08576	9.3
97.02896	34.4
99.04428	9.7
105.01857	41.9
105.06985	10.7
107.08566	10.6
109.02869	18.8
111.11716	84.8
119.08576	10.7
121.10136	8.6
127.03916	49.3
129.11862	8.0
129.12752	100.0
131.08530	7.4
142.12285	10.0
145.04918	21.3
199.16885	16.5
217.18019	11.9
231.05046	7.6
231.78436	4.5
233.84448	5.0
238.18120	5.4
271.23874	6.0
346.36017	5.7
372.04053	4.9
408.31113	6.6
482.34851	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83904	0.3
56.05009	0.3
56.47272	0.3
60.04520	6.4
67.05490	0.4
67.41489	0.3
69.03408	0.7
69.05132	0.3
69.07061	0.5
70.02953	0.6
70.06592	0.9
70.91025	0.8
79.05496	0.7
81.03419	0.5
81.07045	0.8
82.05256	0.3
83.59850	0.3
84.04456	0.3
85.02881	0.9
86.09702	22.7
87.05590	4.8
88.03977	0.5
91.05469	1.1
93.07022	2.0
95.04956	0.6
97.02882	0.5
97.06463	0.4
103.05459	3.9
105.07016	0.7
107.04945	0.8
107.08611	0.4
109.02909	0.4
120.08096	100.0
121.06501	0.3
121.08443	0.9
122.06008	0.5
123.04413	0.3
128.10710	3.5
134.04468	0.9
136.07625	0.4
137.05960	0.6
147.04387	0.3
148.07603	0.8
150.09169	0.3
153.01764	1.4
163.11107	0.4
169.03003	0.3
173.12849	24.8
192.13861	0.5
201.12332	10.2
201.14212	0.5
229.04936	0.4
233.07942	0.6
233.16508	0.6
263.10220	0.7
274.04648	0.4
276.05179	0.4
281.11307	22.9
283.15512	0.4
286.04373	0.4
287.05283	0.5
301.16229	0.3
302.04306	0.4
303.17078	0.7
304.04831	1.0
317.06451	3.3
318.06882	2.9
319.04129	0.7
319.07211	5.4
337.17810	0.3
345.05939	0.5
348.19226	0.8
404.18021	0.4
448.45663	0.3
464.15558	0.9
481.18259	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	481.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01860	1.5
57.51281	0.5
65.03931	0.8
66.04689	0.5
67.05486	1.6
68.99783	2.6
69.03403	0.7
69.07065	0.8
69.33656	3.2
69.34090	2.5
78.04698	1.0
79.05505	3.0
81.03416	7.2
81.07065	3.0
82.07368	1.0
83.08650	0.7
85.02905	0.8
89.03894	0.6
90.04688	0.8
91.05481	3.8
93.07049	2.8
95.04975	1.8
95.08607	0.9
102.04680	0.8
103.05466	9.6
104.06241	3.5
105.03381	1.6
105.07032	3.7
106.04197	0.8
107.04947	4.1
109.02882	1.0
111.04445	0.9
115.05447	2.6
116.35420	0.5
117.03407	1.9
117.07015	1.7
118.04169	3.6
119.04933	2.1
119.08580	0.9
121.02805	0.6
121.06506	2.1
121.10125	0.7
123.04418	3.3
123.11686	0.5
127.03954	0.8
129.07010	0.8
130.04146	2.4
131.04930	26.4
131.08546	1.1
132.05714	24.7
133.02866	4.5
133.06488	1.9
133.10046	0.6
134.03596	1.2
135.04395	2.1
137.02336	100.0
137.05948	1.5
138.02698	1.5
141.05875	0.6
141.06978	2.2
142.05106	0.5
145.02922	1.5
145.06494	1.8
146.03647	3.5
147.04402	6.4
147.08052	1.0
147.11615	1.0
148.05188	9.9
149.02380	1.0
149.06017	4.0
150.03113	0.7
151.03943	0.8
155.03380	3.3
155.04591	0.6
157.06496	0.9
159.04445	1.7
159.08073	1.7
160.05200	11.2
161.02321	1.3
161.05980	6.2
162.03065	0.8
163.03903	8.5
163.07555	3.3
165.05519	1.4
165.06990	0.6
167.07039	12.3
169.06482	3.4
173.06000	3.5
176.04723	2.7
177.05460	12.2
178.06235	2.5
179.07051	3.6
180.07805	2.3
181.06499	1.3
181.08592	0.9
182.09441	0.6
183.04425	0.6
185.05983	0.6
187.03914	4.3
187.07585	2.6
191.07025	25.1
192.07808	66.9
193.08376	1.8
197.05936	5.1
199.03918	0.8
199.07556	1.3
200.04633	0.8
200.17363	0.6
201.05550	0.6
207.06589	1.3
209.08064	1.7
210.06801	0.7
210.08842	1.5
215.07028	5.9
225.05505	3.0
227.07111	0.7
229.04922	4.1
233.05917	0.7
237.05571	0.6
243.06544	9.0
255.06595	1.7
263.07120	0.8
267.06525	1.2
271.06012	21.5
272.06467	0.8
273.07571	0.7
279.06561	0.7
297.07562	8.1
309.07599	3.8
327.08569	0.8
327.12259	0.7
341.10101	1.4
353.10281	3.3
357.94650	0.6
431.11148	4.1
451.13824	2.7
463.13898	8.1
481.14981	10.8
481.30469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
60.11711	0.4
61.13950	0.3
62.29815	0.4
68.99784	1.9
70.06564	0.6
71.56477	0.4
72.08148	0.4
85.02888	0.4
86.09716	0.4
91.05441	0.4
97.02874	0.6
109.02849	1.0
111.00795	2.4
119.08495	0.4
120.08114	0.7
121.02871	0.5
125.02335	1.2
126.03152	0.6
127.03908	1.4
135.04272	0.4
137.02350	2.7
139.03929	0.4
147.04378	0.7
151.03882	0.7
153.01813	12.7
163.03880	0.6
165.00534	0.6
165.01823	6.8
166.02541	0.8
167.03371	0.4
171.04430	0.4
175.03871	0.5
177.05443	1.0
179.03403	3.7
183.02855	1.0
189.05420	0.8
193.04919	0.5
195.02844	2.9
196.32103	0.4
199.03888	0.4
203.03395	1.3
207.02968	2.5
207.04637	0.5
217.04979	2.4
221.04466	1.1
227.03316	0.7
229.04880	0.4
231.02917	0.8
232.03688	1.2
235.02473	0.7
245.04420	6.7
249.03935	0.5
255.02818	0.9
263.05505	0.9
273.03912	8.6
283.02319	0.8
290.04129	1.9
301.03470	2.5
302.03662	0.4
319.04456	100.0
320.04807	2.0
394.20792	0.4
481.12387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03944	0.9
54.95781	0.6
55.05512	16.4
57.03190	0.7
57.03437	8.3
57.07078	7.2
62.80147	0.6
66.28916	0.6
67.05173	1.0
67.05505	12.9
68.58158	0.7
69.07069	24.1
69.51449	0.6
69.98145	3.6
71.08637	3.1
79.05491	5.7
81.03417	0.8
81.07056	13.7
81.51634	0.7
83.08146	1.0
83.08616	15.2
85.10171	1.3
86.09692	1.4
91.05469	1.5
93.07047	7.7
95.08061	0.9
95.08604	13.2
95.72594	0.6
97.06522	1.8
97.10156	7.3
107.08581	4.9
109.10143	5.6
111.08096	0.7
111.11706	2.1
111.76731	0.6
121.10149	6.1
123.11723	1.3
135.11690	4.5
149.13277	1.9
157.33014	0.6
247.24278	0.7
265.25238	1.8
308.29507	5.5
339.28928	100.0
340.29321	1.9
480.33191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03415	0.1
55.01867	0.2
59.42508	0.2
60.04507	0.1
62.20591	0.2
63.07416	0.2
68.99487	0.2
68.99793	1.8
69.03413	0.3
69.18051	0.1
70.06592	0.2
70.86198	0.3
70.86565	0.3
72.08155	0.2
79.01874	0.2
81.03433	0.2
84.08123	0.2
85.02885	0.4
86.70965	0.1
90.74362	0.2
91.05489	0.2
91.28977	0.1
95.74048	0.2
97.02904	0.4
101.08279	0.1
109.02885	1.4
111.00799	2.6
111.04455	0.4
120.08137	0.3
121.83305	0.2
125.02344	0.4
127.03893	0.6
131.04910	0.2
133.02768	0.3
136.53772	0.2
137.02336	2.5
139.03894	0.6
147.04387	0.3
149.05969	0.2
153.01823	12.6
153.05377	0.3
154.02173	0.2
161.05991	0.5
165.01830	4.2
166.02638	0.8
167.03432	0.2
171.04440	0.4
177.05481	0.5
179.03391	1.5
183.02876	1.2
183.04356	0.2
189.05460	1.0
193.01318	0.6
194.02003	0.2
195.02966	0.8
199.03896	0.4
203.03435	0.8
204.03822	0.2
207.02885	0.4
213.81099	0.2
217.04944	4.5
219.02969	0.3
221.04379	0.4
227.03415	0.2
229.05064	0.2
231.02898	0.5
232.03662	0.2
233.04558	0.3
234.01842	0.2
235.02225	0.3
235.05984	0.3
239.01855	0.2
244.03752	0.5
245.04453	7.0
255.02997	0.8
259.02219	0.2
263.05511	1.0
272.03116	0.3
273.03922	5.6
283.02551	0.2
290.04306	1.3
301.03510	1.1
302.03946	0.2
318.03653	0.2
319.04465	100.0
320.04767	1.7
331.04385	0.2
361.05405	0.3
428.48489	0.2
448.07202	0.2
481.13541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01858	9.5
55.05510	33.4
57.03432	23.9
59.20567	3.9
67.05503	89.7
69.03430	30.5
69.07075	28.5
69.68012	26.9
71.01340	5.4
71.05001	7.7
79.05488	67.2
81.03414	31.8
81.07059	100.0
83.04981	14.9
83.08614	15.9
83.54291	3.7
84.08215	5.0
85.02894	16.4
91.05486	63.5
93.07049	67.7
95.04996	23.4
95.08606	54.5
95.68998	3.8
97.02895	16.4
97.06547	17.9
97.10181	7.6
98.78716	3.9
99.04459	7.6
103.03967	6.2
105.06371	8.2
105.07033	64.3
107.04967	5.0
107.08610	44.7
109.02861	6.5
109.06517	12.6
109.10173	24.1
111.08095	7.5
115.05455	5.3
117.07012	27.4
119.08576	42.2
121.06499	10.3
121.10136	29.9
123.04424	4.8
123.08047	9.6
123.11736	9.6
123.27816	4.1
125.09637	6.1
127.03913	15.4
129.07019	21.2
130.84404	4.1
131.08557	44.7
133.06529	5.0
133.10132	32.4
135.08105	11.7
135.11682	14.1
137.05975	5.8
137.09668	4.6
141.06975	6.4
143.08565	19.7
145.06470	6.6
145.10094	26.6
146.06097	5.6
147.08070	8.2
147.11732	26.8
149.13274	14.7
155.08549	8.7
157.10150	16.5
159.08089	8.0
159.11684	18.5
161.09615	7.7
161.13219	12.3
163.03932	9.4
165.12770	9.2
169.10158	11.7
171.11659	12.2
173.13254	9.3
173.31787	4.2
175.11143	6.6
175.14841	6.1
177.12820	5.6
181.10129	4.8
183.11693	6.0
185.09654	7.1
185.13261	10.9
187.11082	4.8
187.14819	5.8
189.12677	5.3
197.13329	5.4
199.14915	6.4
203.14330	5.0
207.06528	7.6
225.12755	4.8
233.15253	5.3
261.22214	9.5
267.15875	11.5
273.22141	4.9
289.21384	5.3
299.23840	5.4
300.28799	5.4
301.21710	4.5
315.23050	6.7
327.23303	10.3
333.21912	4.7
341.24951	9.6
351.23105	14.0
354.52280	4.5
369.24158	29.3
387.25247	14.9
398.52747	4.7
443.27774	17.3
449.28925	5.3
461.28882	40.4
479.30060	54.3
480.32834	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	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05505	16.3
57.03415	5.9
57.07059	6.1
62.05846	2.1
62.06090	24.1
63.50063	2.0
64.52477	1.7
67.05476	9.2
68.46744	1.7
69.07064	20.2
71.40555	2.0
71.58159	4.7
72.30540	1.7
79.05485	3.9
80.63837	2.2
81.07047	14.0
82.38609	1.9
83.08622	12.0
87.50826	2.1
93.07024	6.0
95.08607	12.5
97.10159	7.8
98.06022	3.1
98.98432	6.8
107.08596	5.8
109.10129	5.1
121.10130	5.9
135.11639	3.2
155.01007	4.9
186.31232	2.3
216.06367	2.5
259.15503	2.0
265.25302	5.0
308.29495	20.7
339.28922	100.0
408.15854	2.8
419.25659	3.8
462.29321	2.7
481.15143	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66346	2.9
53.03934	8.5
55.01862	15.4
55.05298	2.9
55.05508	27.9
57.03431	44.5
57.07070	3.2
58.04492	2.7
65.03933	7.6
67.05503	96.5
69.03087	3.4
69.03426	48.2
69.07067	28.7
69.20511	2.8
69.54851	5.2
69.55269	19.4
71.01340	7.6
71.04976	11.2
73.02901	9.2
79.05067	4.9
79.05489	71.2
81.03419	43.0
81.06583	5.1
81.07050	100.0
81.77419	2.6
83.04974	18.0
83.08610	14.7
85.02891	28.2
85.06540	7.2
87.04440	4.2
91.05473	67.7
93.06474	6.2
93.07037	81.7
95.04967	22.8
95.07992	3.5
95.08599	72.6
97.02856	19.2
97.06523	9.3
97.10155	9.9
98.21430	5.6
99.04453	12.3
103.03922	9.6
103.05391	3.0
105.07024	65.2
107.04942	8.3
107.08589	42.6
109.02850	23.1
109.06473	9.4
109.10149	26.6
111.04443	10.7
111.08090	5.1
115.03929	5.1
115.05470	6.9
117.07001	32.7
119.08566	45.6
121.06519	11.2
121.10126	32.0
123.04443	3.8
123.08131	4.1
123.11716	14.8
125.09644	3.6
127.03896	24.2
128.06190	8.4
129.05461	10.4
129.06973	19.7
131.08575	47.8
133.06470	9.6
133.10129	31.6
135.08035	5.5
135.11662	24.3
137.05878	3.0
137.09622	4.1
137.13277	4.0
141.06995	7.5
142.07843	3.8
143.08559	17.8
145.04965	6.7
145.06454	7.5
145.10112	29.9
147.08058	9.5
147.11682	37.0
149.09601	7.3
149.13274	19.8
151.11183	3.2
155.08487	8.2
157.10101	15.5
159.08087	4.8
159.11722	21.3
161.09612	5.8
161.13229	13.2
163.11240	5.6
165.12730	8.4
167.08519	5.2
169.10155	14.4
171.08061	5.6
171.11722	12.1
173.09593	4.0
173.13274	12.9
175.11191	6.3
175.14748	3.6
177.12781	4.9
183.06488	6.9
183.11688	9.7
185.09627	5.3
185.13228	5.3
187.11017	4.3
187.14790	10.2
193.12213	4.1
195.11658	4.7
197.09605	4.1
197.13269	7.1
199.11124	3.7
199.14877	8.0
201.12701	3.3
203.14313	3.7
213.16351	3.6
217.15762	4.3
245.15471	3.7
259.20471	5.5
261.22144	11.8
267.16016	4.5
273.22165	5.2
289.21683	4.9
291.23398	3.7
303.23090	6.0
310.24689	3.6
315.23260	11.5
327.23068	6.4
333.22064	4.0
341.24649	7.2
345.24283	5.1
351.23206	12.5
369.24329	20.3
387.25348	15.8
419.27704	4.4
425.26907	5.8
431.28079	3.9
443.27997	15.6
461.28836	32.0
479.29944	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94867	3.2
53.03944	9.0
55.01865	7.0
55.05509	50.0
56.00457	3.3
57.03417	13.4
59.04988	5.2
65.03928	8.8
67.05177	6.8
67.05505	93.6
69.03438	3.9
69.07065	39.7
69.39521	30.8
71.04980	8.8
79.05067	5.2
79.05490	69.4
81.03434	3.7
81.06581	6.0
81.07056	98.7
83.04990	10.6
83.08598	22.8
83.87838	3.2
85.06524	6.4
91.05479	100.0
93.07047	57.2
95.04955	14.7
95.08604	52.0
97.06522	11.3
97.10161	10.5
98.20760	7.0
99.08096	4.4
99.45363	3.4
103.05471	6.4
105.07025	83.4
107.04964	24.4
107.08604	31.9
109.06508	11.7
109.10155	14.3
111.08057	9.8
115.05451	10.5
116.06195	5.7
117.07018	59.9
119.08573	35.9
121.06529	17.7
121.10169	24.1
123.08096	7.7
123.11701	9.3
125.09641	8.8
128.06233	17.9
129.07004	65.6
131.04929	5.3
131.08562	89.3
131.09529	5.6
133.06462	11.3
133.10095	28.2
135.08026	10.1
135.11697	8.1
137.09589	3.9
139.11211	6.4
141.07002	24.7
142.07745	5.7
143.08543	50.4
144.09201	4.0
145.06483	13.9
145.10114	34.5
147.08035	16.7
147.11685	22.3
149.09610	6.8
149.13252	6.4
151.11220	6.7
154.07738	4.0
155.08569	42.6
157.06506	4.9
157.10118	34.1
159.08018	6.8
159.11690	20.7
161.09549	4.2
163.11230	7.6
165.12837	4.9
167.08607	16.8
169.10115	23.9
171.11655	17.1
173.09590	5.5
173.13315	5.4
175.09753	3.5
175.11183	5.5
177.12759	10.2
179.08522	10.2
181.10115	20.7
183.11723	17.9
185.09624	6.4
185.13242	11.4
187.14783	4.1
189.12712	4.2
193.10094	5.2
195.11649	14.5
195.13284	3.6
197.13324	8.8
199.14911	6.6
201.12790	5.4
205.10205	4.2
207.11818	8.0
207.13718	5.6
209.13297	14.3
211.14828	10.7
213.12746	5.3
221.13225	19.4
223.14877	16.8
225.12799	4.2
227.14311	3.6
229.15897	5.4
233.15352	9.0
235.14847	9.2
237.16278	3.6
239.14359	6.3
243.13872	5.1
253.15991	5.3
255.17479	3.7
257.15317	11.1
271.16937	13.6
273.18527	5.3
315.21234	5.1
317.06439	3.9
323.23590	10.5
333.22156	23.8
341.24689	17.9
351.23196	64.3
369.24188	65.4
387.25244	42.5
405.26147	6.0
422.53830	4.1
443.27866	19.6
461.29034	34.2
479.30121	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01856	6.9
55.05260	3.3
55.05507	41.6
57.03416	9.2
65.03917	3.2
67.05499	75.2
69.07066	36.8
71.04964	5.1
71.31645	4.7
79.05487	63.8
81.03378	4.6
81.06580	4.7
81.07048	77.8
82.57594	2.0
83.04958	8.4
83.08227	2.8
83.08624	33.3
85.02880	3.5
85.06520	7.5
91.05470	100.0
93.07036	63.2
95.04955	18.3
95.08592	43.6
97.06536	12.9
97.10140	9.3
99.08073	2.8
103.05449	7.9
105.07025	70.5
107.04940	11.7
107.08584	27.7
109.06499	9.9
109.10140	11.6
111.08058	7.5
115.05450	10.5
116.06223	3.8
117.06229	4.8
117.07009	64.6
119.08571	38.5
121.06482	10.9
121.10133	23.7
121.88564	2.2
123.04386	3.4
123.08010	6.1
123.11679	5.2
125.09564	4.1
128.06175	16.9
129.07001	74.4
131.04910	12.4
131.08557	74.4
132.05688	7.5
133.06474	12.2
133.10109	24.4
135.08032	10.4
135.11646	7.8
137.05916	3.8
137.09583	4.2
137.42860	2.4
139.11137	3.9
141.06964	26.7
142.07796	7.9
143.08560	53.4
145.06409	14.3
145.10104	34.6
147.08000	11.6
147.11661	15.5
149.09622	12.0
149.13231	5.6
151.11154	3.7
153.07001	3.9
155.08548	43.8
157.06451	8.1
157.10100	26.5
159.08022	9.9
159.11673	19.2
161.09656	3.3
161.13243	4.0
163.07513	2.7
163.11150	6.4
165.06982	6.0
165.12737	5.1
166.07787	3.1
167.07004	6.0
167.08543	14.3
169.10078	22.1
171.08023	8.1
171.11662	17.3
173.09589	6.4
173.13248	7.2
175.09679	4.0
175.11115	5.3
177.05350	2.2
177.12753	10.2
179.08525	6.2
181.10086	18.1
183.07968	3.1
183.11641	13.1
185.06009	2.4
185.09637	3.0
185.13239	12.0
186.98132	2.4
187.11197	4.3
187.14787	6.4
189.12714	4.0
191.07022	8.3
192.07796	14.3
193.10103	8.3
193.12166	2.9
195.11667	19.6
197.13248	10.4
199.11179	3.4
199.14801	5.5
201.12851	3.7
203.14304	2.4
205.10097	3.1
205.12097	3.3
207.11670	6.3
209.13330	13.4
211.11142	5.1
211.14838	9.6
213.05487	5.4
213.12704	6.5
213.16254	5.8
215.14311	7.8
217.15842	3.0
219.11772	4.2
220.12473	2.8
221.13222	14.0
223.14824	15.9
225.12718	4.3
225.16333	4.1
227.14299	2.7
229.15854	5.0
233.13196	3.3
233.15326	4.9
235.14841	7.4
237.16393	4.1
239.14360	10.6
241.04887	7.0
241.15858	7.3
243.13899	4.3
243.17375	2.4
253.15788	7.3
257.15356	6.8
259.16867	3.5
261.18402	3.4
269.04355	8.2
271.16888	6.7
285.18280	4.3
295.05878	5.5
305.22461	3.7
307.05862	6.3
307.18915	3.6
315.20865	3.4
317.06604	3.8
323.23639	10.0
333.22144	20.0
341.24664	16.7
351.23105	59.4
351.27151	4.7
369.24203	50.4
387.25140	20.6
443.27841	15.3
461.12314	3.3
461.28790	23.6
479.13181	3.9
479.29807	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59814	1.3
53.03953	2.1
55.01854	2.0
55.05509	14.0
57.03417	3.9
57.07067	1.9
65.03925	2.3
67.05505	57.7
69.07069	23.2
69.24140	3.9
69.24563	10.0
71.04979	4.6
79.05070	2.0
79.05494	33.8
81.03413	3.1
81.07053	100.0
83.04982	7.1
83.08613	15.5
85.02897	2.9
85.06525	5.2
91.05475	30.0
93.06471	2.4
93.07044	37.5
95.04956	8.0
95.08612	21.9
97.02905	2.0
97.06521	10.0
99.04448	1.7
99.08083	4.5
105.07026	30.9
105.07678	1.1
107.04964	2.1
107.08591	25.2
109.06502	3.5
109.10145	4.3
111.08055	3.4
117.06976	7.2
119.08585	20.6
121.10135	22.3
123.08045	2.9
123.11704	19.7
127.07552	2.5
131.08557	6.3
133.10112	5.0
135.11681	5.0
137.13234	1.5
147.11681	50.8
148.11845	1.3
149.13268	17.7
159.11707	8.8
165.12761	28.1
177.12689	4.3
183.13870	3.7
193.12267	1.4
195.13776	8.7
204.56131	1.3
213.14818	1.6
229.14291	3.5
267.15887	27.3
269.17438	2.1
479.30789	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	479.3001
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
53.03931	2.3
55.01858	2.6
55.05504	14.9
56.96571	0.9
57.03425	4.8
57.07059	2.4
61.02921	0.8
65.03925	2.3
67.05499	52.2
68.05822	0.9
69.03427	1.1
69.07060	23.0
71.01322	0.7
71.04987	5.6
73.02908	0.6
79.05485	34.0
81.03404	2.6
81.07048	100.0
82.07398	1.1
83.04975	8.0
83.08143	1.2
83.08610	14.0
83.64971	0.7
85.02901	1.7
85.06534	6.9
87.04479	0.8
91.05470	29.1
93.07035	38.9
95.04966	6.4
95.08597	22.8
97.02888	1.0
97.06524	10.4
97.10172	1.8
98.20714	1.3
99.08073	4.3
100.99415	0.6
101.06017	1.3
105.04514	0.9
105.07022	27.7
107.04941	1.4
107.08584	24.7
109.06501	4.5
109.10151	3.0
111.04414	0.7
111.08066	4.1
113.05980	1.3
113.09641	0.7
113.51756	0.6
114.71264	0.5
115.05408	0.9
117.07005	5.5
119.08572	20.1
121.06487	1.0
121.10134	24.0
123.08032	3.6
123.11695	21.3
125.09589	1.3
127.07547	2.9
129.06952	0.7
131.08548	4.9
133.10127	5.5
135.08070	1.4
135.11687	5.1
137.09599	1.2
137.13243	1.7
139.11102	1.1
141.09117	1.6
143.08614	0.6
145.10132	0.7
147.11673	49.2
148.12035	0.8
149.09567	0.8
149.13234	17.4
149.14346	1.0
157.10135	1.1
159.11665	8.0
165.12732	28.9
166.13126	1.0
167.14343	0.7
177.12737	3.6
183.13797	3.5
193.12294	1.7
195.13789	6.7
195.15286	0.7
211.13416	0.7
213.14832	1.2
229.14345	3.9
234.17433	0.6
267.15894	30.5
269.17578	1.2
271.01514	0.6
285.16861	0.7
303.11508	0.9
317.06528	1.0
358.58231	0.6
363.01486	0.6
369.24323	0.7
406.08524	0.6
479.30191	33.6
480.30072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.9
55.01868	15.3
55.05511	44.6
57.03431	48.7
57.07071	5.4
59.04994	2.6
59.91780	2.5
61.02914	5.9
62.75866	2.8
65.03944	5.5
67.05504	99.0
68.99775	3.5
69.03080	4.7
69.03428	68.2
69.07062	34.5
71.01356	7.6
71.04988	12.3
72.29370	3.3
73.02917	9.2
79.05490	79.9
81.03416	66.3
81.07050	100.0
83.04992	17.4
83.08622	15.4
85.02911	31.2
85.06500	4.5
87.04454	7.0
91.05473	75.6
93.07040	80.5
95.01337	4.0
95.04962	26.0
95.08601	77.8
97.02888	26.1
97.06525	10.3
97.10181	5.1
99.04446	18.9
100.26749	2.7
101.02359	3.1
103.03947	13.4
103.05447	4.4
105.06384	5.5
105.07033	67.7
107.04943	10.8
107.08588	42.9
109.02859	26.1
109.06512	11.3
109.10143	26.8
111.04431	9.7
111.08041	6.0
113.06029	3.8
115.03918	6.1
115.05424	5.5
117.07024	36.2
119.07791	5.1
119.08578	61.0
121.06486	7.1
121.10140	39.3
123.04414	4.3
123.08022	4.3
123.11685	8.3
125.05971	3.9
125.09595	3.5
125.12138	3.2
127.03924	34.3
128.06216	9.7
129.05478	11.6
129.06964	24.9
131.04904	4.0
131.08560	51.4
133.06494	10.9
133.10124	31.2
135.08046	8.0
135.11696	18.8
137.05969	3.9
137.09653	5.0
137.13268	4.5
141.07011	8.9
143.08539	24.6
145.04944	7.9
145.06488	11.8
145.10106	34.1
147.08046	10.4
147.11681	23.1
149.09639	7.9
149.13251	11.3
151.07462	3.6
155.08546	10.2
157.10158	21.9
159.08061	9.0
159.11705	31.7
161.06015	3.6
161.09654	3.9
161.13268	12.9
163.07622	4.7
163.11223	3.9
163.14813	5.5
165.97816	2.6
166.07748	2.7
167.08546	4.5
169.10141	13.1
171.08078	7.7
171.11694	11.1
173.09644	4.0
173.13258	18.3
175.07573	5.6
175.11157	5.0
175.14832	8.0
177.09126	3.0
177.12753	4.1
181.10100	5.6
183.06520	9.8
183.11716	11.3
185.09641	7.1
185.13255	10.5
187.11104	5.8
187.14812	7.3
189.12784	5.0
195.11739	6.2
197.09598	4.6
197.13254	7.4
199.11157	5.0
199.14864	11.4
201.07599	6.3
201.12842	3.8
213.16399	8.5
227.14211	3.9
239.14352	3.7
241.19562	3.8
243.21106	3.6
257.15350	4.0
259.20535	6.6
261.22205	9.0
270.23151	3.5
271.20560	4.1
273.22214	4.7
283.20575	3.4
285.22147	4.0
301.21606	5.8
303.23117	7.7
313.21777	2.8
315.23105	7.3
317.06418	4.7
323.23618	4.9
327.23288	13.4
335.25787	4.8
341.24725	8.3
343.22516	3.8
345.24243	7.8
351.23297	9.1
359.25702	4.1
363.25168	3.2
369.24222	31.1
387.25214	15.6
431.27820	6.0
443.27917	18.9
461.29044	34.9
479.23624	4.0
479.30048	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05498	1.0
67.05489	2.3
69.03428	1.1
69.07047	1.5
70.06582	2.5
71.04976	1.0
71.57253	1.1
72.04513	21.0
72.08141	0.7
79.05472	1.8
80.27187	0.8
81.03407	1.0
81.07042	2.3
85.02897	2.5
86.09692	2.8
91.05472	1.6
93.07034	2.2
95.04935	0.9
95.08587	1.0
97.02855	0.9
105.07046	1.7
106.06567	5.2
107.08562	1.3
109.06509	1.5
116.03490	0.9
117.05782	1.7
118.06544	12.4
119.07306	0.9
119.08555	1.6
120.08079	2.0
123.51877	0.8
127.03877	1.0
129.06996	1.4
130.06509	2.1
131.07306	7.6
132.08096	7.9
133.08954	1.5
133.10057	1.0
134.09605	2.2
137.05936	1.0
144.08070	6.8
145.08855	1.4
146.09657	10.5
151.03874	1.3
153.01816	3.1
158.09676	3.2
159.10468	1.9
160.11209	11.0
162.12793	1.0
171.09149	0.8
172.11208	7.9
173.11836	1.0
174.12794	2.9
186.12782	1.9
188.14372	1.3
189.10225	4.6
195.11426	1.0
202.16010	1.4
203.11760	5.1
213.16397	0.9
217.13362	10.1
229.04993	1.7
231.15054	1.3
243.11259	1.2
244.20604	11.4
260.20419	1.0
272.20071	92.4
273.20349	3.3
274.04651	1.0
285.03851	1.3
290.21143	23.7
298.21597	5.3
299.22464	0.8
302.04141	4.8
303.04517	0.9
316.22693	24.2
317.06537	33.5
318.06824	2.1
326.17505	0.8
331.23874	2.3
341.22159	1.9
342.20642	5.9
343.23856	9.4
346.23773	8.1
359.10608	0.8
359.23361	4.1
361.24805	31.5
362.25302	1.7
364.24841	4.6
369.21762	8.5
370.20126	5.6
387.22742	28.9
388.21222	2.6
390.26410	12.6
403.48364	0.8
405.23755	4.3
416.24179	1.3
417.27521	23.3
418.27576	1.8
433.26849	1.9
435.28503	26.1
436.28787	1.0
461.26450	100.0
462.24866	22.0
463.25342	2.0
479.27515	75.9
480.27747	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	479.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
67.05495	2.0
69.07065	1.2
70.06583	2.4
71.56582	2.0
72.04514	20.4
74.98542	1.0
79.05486	2.2
81.03429	1.5
81.07057	3.1
83.08636	1.2
85.02882	3.0
86.09695	2.9
88.03979	1.6
91.05467	2.3
93.07050	2.4
95.08591	1.2
98.78648	1.0
105.07017	2.4
106.06524	6.2
107.08560	1.2
109.10148	1.2
109.16582	1.0
117.05758	2.1
118.06551	12.6
119.08562	1.5
120.08088	2.4
127.03898	1.2
127.64104	1.1
130.06519	2.3
131.07297	7.7
132.08069	6.8
133.08862	1.7
134.09644	1.6
143.08568	1.1
144.08061	9.0
145.10138	1.3
146.09627	13.2
148.97319	0.9
151.03787	1.3
151.11131	1.4
153.01813	3.9
158.09694	3.7
159.10443	1.1
160.11212	13.5
161.11916	1.5
172.11208	7.0
174.12769	3.6
186.12778	2.6
188.14359	1.4
189.10178	5.3
203.11787	4.0
213.16399	1.4
215.08220	1.3
217.13365	9.3
229.04901	1.4
231.15036	1.8
243.11163	1.5
244.20570	11.0
260.19977	1.3
272.20071	98.6
273.20453	4.4
274.04691	1.4
285.04001	1.7
290.21109	26.4
298.21783	5.3
302.04276	5.4
316.22693	24.9
317.06531	32.6
317.10153	2.1
318.06979	3.8
331.23788	1.5
341.22165	2.2
342.20578	7.2
343.23755	9.5
343.75238	1.2
346.23737	8.7
353.87723	1.1
359.23221	3.9
361.24814	31.8
362.25006	1.8
364.24802	6.3
369.21677	8.4
370.19922	6.9
387.22766	29.2
388.21439	4.0
390.26407	11.7
405.23920	4.4
409.16837	1.1
417.27527	24.6
418.27762	1.8
433.26874	1.7
435.28561	27.5
436.28711	1.9
461.26450	100.0
462.25043	21.8
463.24997	1.3
479.27481	63.2
480.28000	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	479.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05819	0.7
55.01857	1.1
55.05500	1.4
57.03434	0.9
67.05511	2.0
69.03417	1.5
69.07054	0.9
69.27353	9.3
70.06576	2.7
72.04517	20.3
81.03393	1.4
81.07041	2.6
85.02892	2.3
86.09690	2.3
91.05467	1.9
93.07047	1.8
95.04987	1.7
95.08634	0.9
97.02876	1.0
98.36617	0.9
100.40357	0.7
103.05504	1.2
105.07036	1.5
106.06557	7.5
107.04940	0.9
107.07349	1.0
109.06534	0.7
109.10165	1.2
114.10202	0.9
117.05767	1.5
118.06539	12.8
119.08602	0.9
120.08073	1.8
121.02881	0.8
121.10098	0.9
130.06534	3.0
131.07317	6.6
132.08096	7.4
133.08902	1.2
134.09647	2.5
137.05986	1.1
144.08089	7.2
145.08836	1.1
146.09642	12.3
148.11279	1.0
151.03955	0.9
153.01857	2.2
157.10162	0.9
158.09683	4.1
159.10426	1.3
160.11230	11.6
164.07019	0.8
171.09209	0.8
171.14726	0.9
172.11208	10.4
173.13213	0.9
174.12773	3.1
179.03395	0.8
186.12802	1.4
189.10275	5.0
197.11734	0.9
203.11742	4.0
215.11813	1.1
217.13377	9.4
229.05055	1.4
231.14877	1.7
244.20644	10.8
257.04318	1.4
260.20093	1.8
268.80545	0.8
272.20084	85.9
273.20383	4.1
274.04907	0.9
287.09927	0.8
290.21136	25.7
291.21579	0.9
298.21646	5.0
302.04117	4.3
316.22705	23.4
317.06531	31.2
318.06912	2.7
325.07300	0.9
331.23798	1.5
341.22403	2.5
342.20642	5.7
343.23807	9.2
344.24045	1.0
346.23810	6.4
359.23291	3.4
361.24841	30.1
362.24985	1.5
364.24802	5.6
369.21707	8.1
370.19992	4.8
387.22754	28.0
388.21646	3.0
390.26361	13.4
391.26495	1.5
405.23862	3.0
417.27496	21.5
418.27972	0.9
433.26944	2.5
435.28555	29.4
436.28931	2.0
461.26462	100.0
462.25034	21.2
463.25226	1.5
479.27524	68.5
480.27768	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	479.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05492	1.9
57.03401	0.8
58.37559	0.7
62.99310	0.7
67.05500	5.5
69.07044	1.7
71.01292	2.3
73.50594	0.7
74.02018	0.7
77.00900	7.2
79.05453	2.7
81.03407	2.1
81.07053	5.4
83.04955	0.8
83.08601	1.7
85.02878	1.1
87.35560	0.7
91.05488	3.5
93.07018	3.4
95.01949	4.9
95.04945	1.4
95.08585	2.4
97.06517	0.9
97.10114	1.0
97.49272	0.7
105.07003	3.2
107.04964	1.5
107.08559	2.2
109.06486	1.8
109.10132	1.8
115.02411	0.9
117.07030	1.8
119.08553	2.0
121.06473	0.9
121.10118	1.5
123.08100	0.7
123.11658	0.9
129.03961	0.9
129.07016	1.1
131.08510	2.0
133.03476	0.9
133.06483	1.1
133.10092	1.4
135.08034	1.0
137.09625	1.0
141.03925	1.6
143.05515	1.7
145.10086	1.0
147.08002	0.9
147.11610	1.5
149.13191	0.8
153.01738	1.0
153.03940	1.2
155.05508	4.5
159.04977	4.2
161.06627	4.5
169.07080	3.4
169.10748	1.2
171.04990	2.2
173.06595	10.1
175.08073	1.0
181.07133	1.1
183.04985	1.0
187.04517	0.9
187.08145	11.7
189.11263	0.9
191.07651	1.0
195.08675	2.8
195.12280	1.0
196.08194	1.1
197.10193	6.5
199.08076	1.1
201.06032	3.2
201.07651	2.5
203.07532	1.1
203.09235	1.4
205.05531	2.3
205.10796	1.2
209.10240	0.9
213.09718	13.4
215.09280	1.5
215.11256	9.7
219.07053	4.2
219.08946	0.8
219.13799	0.8
221.10226	5.3
223.11749	3.1
225.13322	8.3
231.10732	2.8
233.10060	4.5
237.09808	1.1
239.11246	13.8
239.13503	1.2
241.12868	1.1
243.14360	15.3
251.11263	52.5
252.11638	1.8
257.12369	6.2
261.15546	2.4
262.12915	0.8
266.16031	1.5
269.12326	100.0
270.12601	2.5
274.12836	5.1
281.96164	0.7
287.13370	56.9
288.13412	1.7
292.14029	5.7
310.15018	4.5
317.06564	4.9
369.24054	2.6
387.24994	0.9
435.25778	2.1
443.22974	1.5
461.23770	18.6
465.39374	0.8
479.24860	79.0
480.25073	3.2
481.24756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03947	2.1
55.01859	2.2
55.05510	3.9
57.03420	0.9
65.03920	1.5
67.05510	8.4
68.99780	1.9
69.03415	2.3
69.07056	2.2
69.40166	3.0
69.40593	4.1
71.05003	1.2
75.62754	0.7
77.03915	1.0
77.71027	0.7
78.04701	2.4
79.05123	0.9
79.05493	10.0
81.03411	3.4
81.07056	11.0
83.04983	2.1
83.08615	2.5
85.02884	1.5
86.40261	0.7
89.03909	2.3
90.04696	2.2
91.05470	12.7
93.07046	6.5
95.04962	6.1
95.08594	5.3
97.06472	1.1
97.10139	1.7
102.04676	2.1
103.05463	21.0
104.06244	6.9
105.03391	5.5
105.07018	11.4
106.04172	1.6
107.04945	12.6
107.08590	3.6
109.02834	1.0
109.06522	2.0
109.10151	2.0
111.08092	0.9
113.65738	0.8
115.05439	4.6
117.03362	3.4
117.07012	3.8
118.04194	5.4
119.04938	3.4
119.08560	3.5
121.02846	1.0
121.06494	4.5
121.10137	2.4
122.03637	1.5
123.04438	1.4
123.11700	1.1
124.05197	1.4
125.05988	1.5
127.03899	0.9
128.06242	2.9
129.06990	3.4
130.04134	3.2
131.04921	57.0
131.08534	4.0
132.05707	52.9
133.02856	2.8
133.06532	3.9
133.10123	2.9
134.03609	1.8
135.04410	1.8
135.08046	1.6
135.11681	1.5
136.06155	1.5
137.02336	15.5
137.05954	12.6
139.05444	2.2
139.07503	1.0
141.06969	4.5
143.08543	1.3
145.06459	2.9
145.10098	1.6
146.03618	3.7
147.04416	5.8
147.11665	3.1
148.05219	7.5
149.05978	9.5
149.13197	1.1
151.03882	1.2
151.07478	1.6
152.04694	1.6
152.06172	1.3
153.01854	4.4
155.08519	1.3
157.05263	1.3
157.06485	10.6
157.10144	1.6
159.04564	1.0
159.07947	0.8
159.11656	1.6
160.05188	21.7
161.05960	5.6
161.09633	1.0
162.03041	1.1
162.06802	1.7
163.03931	2.7
163.07552	11.9
164.04695	1.0
165.05473	1.4
165.06982	1.9
165.12798	0.9
167.07043	44.3
169.06419	1.6
171.04414	2.9
171.11684	0.9
173.05928	1.2
176.04671	3.4
177.05472	24.4
177.06841	1.2
178.06165	1.9
178.60045	0.7
179.07039	4.9
180.07822	1.0
181.06450	2.0
181.08607	1.1
185.05948	13.0
189.11235	0.9
191.07022	50.7
192.07806	100.0
193.08398	3.1
193.12341	1.3
194.07265	1.0
195.07968	0.9
197.05983	14.0
199.03877	1.7
205.06561	1.9
207.06517	2.0
209.06003	2.0
209.13344	1.0
211.07533	0.9
213.05461	51.6
221.05948	2.2
222.06747	1.7
223.07504	2.9
224.04636	1.2
225.05463	14.9
226.06055	0.9
228.04182	1.1
233.06042	1.4
234.06789	1.3
235.07516	1.3
235.91850	0.9
237.05324	4.1
239.07018	4.1
241.04942	65.7
242.05441	1.7
249.05489	1.0
250.06247	4.3
251.07007	7.8
253.04935	11.0
255.06419	1.2
261.05511	1.1
263.06961	1.1
263.10168	0.8
265.05011	1.8
266.05573	1.1
267.06485	1.8
267.15936	1.2
269.04449	58.3
270.04904	2.7
271.05948	5.3
277.04919	1.6
278.05640	1.6
279.06525	8.4
281.04471	3.7
283.09726	0.9
295.06003	35.5
301.07025	5.1
307.05991	57.7
308.06238	0.9
311.09183	4.3
313.07104	2.1
317.06537	5.7
325.07062	5.5
337.06961	1.4
341.24689	1.2
351.23190	1.3
357.07465	1.6
369.07401	1.2
369.24091	2.9
387.25064	1.6
397.06741	1.0
429.09775	5.0
449.12335	19.8
461.12329	24.7
461.29172	1.9
479.13364	10.6
479.29736	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	479.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05157	0.8
51.02372	1.0
53.03933	1.9
55.01879	1.2
55.05500	3.1
57.03433	1.7
65.03955	2.3
67.05221	0.9
67.05505	9.7
68.99779	1.8
69.03415	2.1
69.07061	3.6
71.05013	1.1
71.57793	1.1
77.03938	1.4
78.04688	3.0
79.05494	13.1
80.79168	0.8
81.03400	4.1
81.07056	11.4
83.04977	1.4
83.08619	2.3
85.02895	2.2
89.03925	2.1
90.04729	2.2
91.05479	12.4
93.07031	6.2
94.04191	1.6
95.04966	6.6
95.08610	5.3
97.02887	1.8
97.06524	2.1
98.10419	1.1
102.04665	2.2
103.05465	17.3
104.06251	6.3
105.03404	4.4
105.07029	9.3
106.04252	1.1
107.04951	12.4
107.08608	5.2
109.02867	1.1
109.06512	1.7
109.10146	2.5
115.05433	6.6
117.03369	3.4
117.07027	3.4
118.04174	5.7
119.04903	3.3
119.08566	3.5
121.02821	1.0
121.06468	5.2
121.10147	3.3
122.03646	2.9
123.04441	2.6
123.08106	1.0
124.05167	2.1
125.05962	2.0
125.09646	1.4
125.47431	0.8
127.03928	1.3
128.06216	3.1
129.06990	4.4
130.04152	2.4
131.04924	53.5
131.08536	3.5
132.05705	47.6
133.02840	2.9
133.06444	3.4
133.10150	3.2
133.65775	0.8
135.04416	2.8
135.08061	1.7
135.11684	1.5
136.06192	2.5
137.02341	16.4
137.05968	28.5
139.05414	2.3
141.06984	4.2
143.08556	1.1
145.06468	2.6
145.10123	2.1
146.03645	5.6
147.04367	5.7
147.08037	1.4
147.11726	2.2
148.05203	5.9
149.05962	9.1
149.09709	1.1
149.13223	1.1
153.01816	9.2
155.08478	1.4
157.06465	11.8
157.10077	1.9
158.03560	1.2
159.04433	1.8
159.08015	1.0
159.11617	1.2
160.05206	19.6
161.06026	6.3
162.06775	0.9
163.03900	2.7
163.07536	9.8
165.05492	2.0
165.07001	2.1
165.12697	1.1
167.07033	44.7
167.08333	1.5
169.06525	1.5
169.10228	1.0
171.04379	1.9
173.05954	1.1
176.04733	3.5
177.05469	25.7
178.06198	3.1
179.07062	5.3
180.07896	2.7
181.06496	2.4
185.05962	12.4
185.09482	1.2
185.13228	1.0
191.07016	52.7
192.07802	100.0
193.08478	3.0
195.08112	0.9
197.05972	11.6
199.14914	1.1
205.06529	1.9
207.06517	2.3
209.06035	1.8
211.07733	1.0
212.04686	1.0
213.05443	47.3
215.07072	1.3
218.63423	0.9
223.07596	1.8
224.04607	2.3
225.05443	11.5
233.05850	2.0
234.06723	1.1
237.05460	4.0
239.07077	3.2
241.04945	68.0
242.05441	2.4
249.05481	2.1
250.06299	3.2
251.06950	6.7
253.04936	9.7
263.07092	1.8
265.05057	2.5
267.06519	1.6
267.15836	1.3
269.04434	58.4
270.05103	2.4
271.06140	4.6
277.04892	2.5
278.05801	2.7
279.06564	9.1
281.04495	5.2
283.06033	1.3
285.17236	1.0
293.04388	1.3
294.05078	1.4
295.06018	32.6
295.09415	1.7
296.06424	1.5
297.03891	1.5
301.07089	4.5
302.04114	1.0
307.05984	56.9
308.06454	1.2
310.04819	1.2
311.05725	1.1
311.09171	2.0
312.06299	1.5
313.07025	3.8
317.06360	5.6
325.07089	9.8
341.24799	1.1
343.08093	1.3
357.07550	2.2
369.07751	1.1
369.24222	2.7
385.07028	1.4
387.25366	1.8
389.10168	1.0
397.06918	1.4
401.10349	1.6
402.07455	1.3
411.08588	1.6
429.09683	5.7
443.27652	0.9
449.06232	1.9
449.12289	30.5
461.12387	24.1
461.28714	2.2
462.12396	1.2
479.13443	12.0
479.29782	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	479.1334
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
55.01856	0.9
55.05474	1.6
56.74047	0.4
57.03413	0.6
66.31837	0.4
67.05502	2.6
68.99771	0.4
69.03394	0.7
69.07045	1.1
69.59995	2.3
69.60414	0.7
79.05474	2.3
80.64775	0.4
81.03382	1.7
81.06651	0.5
81.07053	5.3
83.04996	0.5
83.08593	0.9
85.02867	0.8
91.05473	3.8
91.29967	0.4
93.07040	2.9
95.04941	1.6
95.08589	2.1
97.02853	0.5
97.06525	0.5
97.10125	0.8
98.21535	0.8
99.04460	0.5
102.04667	0.9
103.04873	0.6
103.05468	5.0
105.07024	2.2
107.04919	1.0
107.08556	1.7
109.02843	0.5
109.06475	1.0
109.10196	0.4
111.04440	0.5
117.03385	0.4
117.06970	1.2
118.04121	1.9
119.01627	0.4
119.04916	0.9
119.08559	1.3
121.06496	2.1
121.10111	1.2
123.04465	0.4
123.08048	0.7
123.11639	1.0
125.02318	0.4
125.09595	0.5
127.03927	0.4
129.06969	0.8
130.04161	1.9
131.04919	5.4
131.08551	1.0
132.05685	1.7
133.02779	0.7
133.06422	0.5
133.10068	0.8
134.03609	0.6
135.04381	1.5
135.08015	0.5
135.11662	0.6
137.02324	5.5
137.05977	1.2
137.09552	0.7
140.04691	1.0
142.07863	0.4
145.10057	0.4
146.03563	1.6
147.04379	1.5
147.11652	1.5
148.05124	1.2
149.05945	1.3
153.05461	0.6
154.06247	0.5
155.03343	0.6
155.08566	0.5
157.06439	1.4
157.10123	0.7
159.04390	0.6
159.11670	0.9
160.05112	0.6
161.02341	1.1
161.05946	0.5
162.03079	0.5
163.03842	0.6
163.07521	0.7
165.09024	0.5
165.12764	0.7
166.06334	0.5
167.07025	1.6
169.06367	0.5
172.42775	0.4
173.05952	0.7
176.04689	3.2
177.05429	2.2
178.06232	2.7
182.09363	0.7
185.05972	0.8
187.03893	7.1
191.07011	5.8
192.07735	1.3
197.05902	0.6
210.12346	0.4
213.05466	8.5
213.12534	0.4
225.05533	0.8
226.06232	13.5
237.05469	2.4
241.04939	67.0
242.05711	19.2
243.06343	0.7
253.04970	2.1
254.05685	1.6
255.06519	2.6
267.06555	1.1
269.04456	10.1
270.05222	34.3
271.05988	26.5
281.04443	4.8
283.05933	2.0
284.06851	1.8
285.04050	0.4
285.07608	0.5
302.04208	1.0
311.05533	2.3
317.06479	5.8
325.07089	1.4
327.10202	0.5
331.09787	0.5
343.09509	0.6
357.07272	0.5
369.24274	0.9
371.09039	0.9
375.08429	0.6
387.08578	0.5
387.25201	0.5
400.09390	0.8
403.08023	1.8
415.08063	0.6
417.09909	0.6
429.09692	0.4
431.07657	1.8
445.09079	0.9
446.09787	1.1
449.12262	4.9
461.12292	26.6
461.29019	1.1
462.12747	0.7
479.13351	100.0
480.13687	1.9
482.49905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
53.48830	0.3
55.01880	0.3
57.03428	0.6
57.88173	0.3
61.02928	5.3
65.03925	0.6
69.03414	1.0
69.97739	1.7
70.06603	0.4
71.04964	0.4
73.02914	1.2
79.16599	0.3
81.03397	0.5
84.04485	0.3
85.02904	5.4
86.09686	0.6
87.86569	0.3
91.03963	2.7
91.05458	0.5
92.02624	1.0
93.03410	1.3
93.07001	0.4
97.02889	3.4
98.20762	0.4
99.04453	0.6
105.07008	0.4
109.02878	0.6
113.93723	0.3
120.08150	0.4
121.02888	1.5
125.09691	0.3
126.03091	0.5
127.03912	0.9
137.05934	0.4
139.03885	0.8
147.04391	0.6
151.03882	0.6
153.01833	7.9
159.11627	0.6
165.01828	0.7
167.07040	0.4
173.05905	0.4
177.05536	0.7
187.11191	0.5
191.07137	0.3
194.02202	0.4
200.04652	0.3
201.05533	0.7
201.12595	0.3
203.03416	0.9
217.04988	1.1
218.05800	0.6
228.04158	1.3
229.04936	3.4
229.12341	0.6
231.02901	0.4
245.04501	1.9
246.05299	2.2
247.13229	0.4
257.04407	2.8
260.03247	0.3
273.03918	2.0
274.04706	3.9
284.03165	0.7
285.03964	5.1
288.06326	0.5
302.04205	14.3
317.06555	100.0
318.06772	2.6
329.06757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74408	0.1
61.88291	0.1
65.03915	0.2
68.99780	0.2
69.51170	0.9
70.06569	0.2
75.19560	0.2
85.02874	0.1
86.09705	0.2
92.02613	1.0
93.03395	1.3
98.20758	0.3
111.00813	0.2
112.57528	0.1
120.08105	0.3
121.02868	0.9
126.03143	0.3
135.04327	0.2
137.02361	0.3
139.03908	0.8
151.03909	0.8
153.01819	8.1
165.01845	0.9
166.02551	0.2
173.06055	0.3
177.05414	0.2
183.02892	0.3
194.59608	0.1
200.04588	0.2
201.05486	0.8
203.03340	0.5
217.04979	0.9
218.05740	0.6
219.02867	0.4
228.04114	1.4
229.04955	3.4
231.02904	0.5
245.04454	1.5
246.05209	1.9
256.03598	0.2
257.04462	2.7
260.03174	0.5
261.07541	0.3
271.06018	0.3
273.03900	1.7
274.01718	0.2
274.04703	4.4
284.03085	0.6
285.03931	5.1
286.04581	0.3
288.06329	0.2
299.90421	0.2
301.03470	0.2
302.04196	12.8
303.04672	0.3
316.05750	0.2
317.06531	100.0
318.06903	1.8
478.33752	0.2
479.11630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
57.03439	0.7
60.26271	0.1
61.02924	6.6
65.03931	0.4
67.93326	0.1
68.99774	0.2
69.03420	1.1
69.70185	0.5
69.70607	0.3
71.04978	0.2
73.02910	1.4
76.01691	0.1
78.61206	0.2
81.03398	0.5
83.01315	0.2
85.02899	5.8
86.09724	0.3
91.03406	0.3
91.03951	3.7
91.05468	0.2
92.02621	1.1
93.03416	1.1
95.08579	0.1
97.02885	2.9
99.04461	0.4
106.86198	0.2
109.02872	0.4
111.00776	0.3
120.08102	0.3
121.02872	1.3
121.10178	0.2
126.03114	0.4
127.03925	1.0
133.02922	0.1
137.02290	0.4
137.05983	0.1
139.03893	1.1
145.04999	0.5
151.03902	0.8
153.01816	9.7
155.04918	0.1
163.03827	0.2
165.01834	0.6
173.06018	0.2
177.05458	0.3
183.02905	0.2
183.04370	0.2
189.05418	0.2
195.17514	0.2
201.05466	0.7
203.03416	0.7
204.04340	0.2
213.18498	0.2
217.04967	1.0
218.05830	0.6
219.02884	0.4
228.04173	1.8
229.04927	3.7
229.07037	0.2
231.02815	0.5
231.19563	0.2
232.03546	0.1
233.04471	0.2
245.04459	1.7
246.05267	1.8
247.05850	0.2
256.03610	0.4
257.04449	3.2
260.03210	0.5
261.07529	0.4
264.98083	0.1
271.05826	0.2
273.03918	1.8
274.04700	4.5
275.04984	0.1
284.03207	0.4
285.03912	5.2
286.04471	0.2
288.06235	0.3
299.05933	0.2
301.03372	0.2
302.04193	14.1
303.04626	0.3
314.03958	0.1
317.06534	100.0
318.06836	2.1
329.06680	0.7
330.17130	0.2
340.05841	0.2
341.06711	0.3
355.08151	0.3
359.07712	0.8
383.07410	0.4
443.09277	0.1
461.10657	0.2
479.11121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68094	0.2
65.53371	0.2
66.20276	0.2
69.03419	0.4
69.14502	0.2
69.46221	1.5
69.46629	0.4
70.06568	0.2
72.14871	0.2
85.02909	0.3
86.09696	0.4
92.02605	0.9
93.03388	1.3
93.07027	0.2
98.20775	0.4
109.74675	0.2
117.54277	0.2
121.02860	1.1
126.03131	0.3
128.91138	0.2
129.60123	0.2
131.17497	0.2
136.07544	0.2
137.02289	0.2
137.06004	0.2
139.03859	0.9
147.04333	0.3
151.03900	0.7
153.01808	8.1
163.03928	0.3
165.01799	0.6
170.02034	0.2
174.07956	0.2
186.24335	0.2
201.05481	0.5
203.03406	0.4
217.04930	1.1
218.05753	0.5
228.04147	1.6
229.04974	2.6
231.02765	0.3
245.04527	1.4
246.05238	1.6
248.12367	0.2
256.03696	0.3
257.04395	2.7
260.03207	0.5
261.07620	0.3
271.05878	0.3
273.03888	2.0
274.04712	7.1
284.03262	0.2
285.03928	4.5
287.02066	0.2
302.04190	17.2
303.04651	0.4
317.06522	100.0
318.06857	1.8
381.10330	0.2
419.95682	0.2
479.11591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
61.02917	0.4
62.62387	0.2
65.03934	0.2
68.99803	0.2
70.92487	0.4
80.91238	0.2
85.02898	0.6
91.03957	0.4
92.02637	0.9
92.54058	0.2
93.03410	1.2
97.02877	0.4
121.02869	1.3
126.03127	0.4
137.02354	0.3
139.03894	0.8
141.30971	0.2
147.94701	0.2
150.34984	0.2
151.03893	0.7
153.01825	7.0
159.52896	0.2
165.01845	0.5
166.02643	0.2
182.52780	0.2
183.02933	0.2
198.77786	0.2
200.04636	0.5
201.05467	0.7
202.08427	0.2
203.03360	0.2
215.98239	0.2
217.04974	0.6
218.05673	0.5
219.02856	0.3
225.59874	0.2
228.04140	1.3
229.04941	3.1
231.02837	0.3
239.54617	0.2
245.04515	1.1
246.05226	1.6
246.20215	0.2
256.03787	0.2
257.04449	2.3
260.03137	0.3
261.07596	0.4
271.06076	0.2
273.03870	1.7
274.04700	3.7
284.03149	0.5
285.03940	4.2
286.04645	0.3
301.03415	0.2
302.04205	12.0
303.04562	0.3
317.06543	100.0
318.06827	1.6
458.88403	0.2
479.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.24810	0.2
68.99762	0.4
69.63569	0.6
69.63983	0.8
69.83937	0.2
78.23075	0.2
85.02890	0.4
86.69799	0.2
92.02621	1.1
93.03393	0.9
95.63125	0.2
98.21500	0.3
111.00807	0.3
121.02855	0.8
125.37042	0.2
126.03096	0.5
129.85631	0.2
139.03886	1.0
151.03885	0.8
153.01811	6.8
165.01839	0.6
168.93349	0.2
177.05444	0.3
187.26743	0.2
189.05455	0.2
192.30161	0.2
199.78674	0.2
200.04561	0.4
201.05457	0.7
203.03357	0.4
217.04968	1.1
218.05774	0.4
228.04128	1.1
229.04916	3.3
231.02835	0.3
245.04446	1.4
246.05254	1.7
256.03607	0.3
257.04413	2.2
260.03180	0.3
273.03885	1.7
274.04694	3.6
284.03146	0.6
285.03906	4.1
302.04181	11.8
303.04599	0.3
317.06519	100.0
318.06857	2.5
359.08258	0.2
442.90503	0.3
479.11859	0.7
479.27002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.3
55.01863	8.5
55.05500	10.4
55.43715	2.7
57.03424	7.9
58.14659	2.4
60.63409	2.3
61.02921	6.8
65.03894	2.4
67.05495	17.1
68.99781	9.9
69.03423	65.4
69.07059	9.9
70.06586	5.3
71.01345	2.9
71.04978	10.0
71.56633	4.8
72.08154	2.2
73.02916	5.4
75.51355	2.2
79.05498	14.6
81.03414	76.9
81.07047	20.1
82.03777	2.2
83.04961	11.7
83.08605	4.4
85.02898	85.7
85.06551	3.6
86.09705	3.3
87.00829	17.6
91.05462	16.5
93.07038	10.9
95.01311	3.5
95.04973	8.2
95.08609	8.7
97.02892	23.7
97.06541	3.7
97.10218	2.4
99.04463	18.9
100.54289	2.4
103.03949	5.2
105.01862	7.8
105.07040	12.8
107.04953	6.9
107.08591	8.9
109.02879	40.9
109.06516	7.7
109.10135	5.9
111.04434	9.3
117.07024	5.5
117.40987	2.9
119.04894	3.6
119.08551	8.0
120.08060	3.3
121.06537	4.0
121.10116	5.4
123.04438	3.9
123.11697	2.8
125.02331	2.6
127.03911	100.0
129.01865	5.0
129.06972	2.6
131.04945	2.7
131.08554	5.2
133.06540	3.1
133.10129	5.2
136.06200	6.8
137.02362	2.7
137.05910	13.8
139.03856	2.3
145.04945	7.5
145.06247	2.4
147.04425	5.4
147.08121	3.3
147.11723	4.1
149.02333	2.9
151.03934	3.1
153.01828	9.1
153.05501	2.7
157.10120	3.4
159.02910	3.6
159.11638	3.6
163.03946	2.8
165.09105	5.3
169.04906	5.6
173.13231	2.5
187.03973	3.5
187.05998	5.3
189.03946	6.1
193.12404	2.4
205.05119	2.9
213.03935	15.2
213.05705	4.6
217.04890	2.9
229.05133	2.6
231.04959	6.9
241.04979	45.0
253.05104	2.6
270.05243	4.7
271.05933	16.6
273.06226	3.0
281.04391	3.9
285.03787	2.8
299.05432	6.9
302.04245	7.5
317.06567	49.4
325.07047	26.2
357.07983	4.2
435.19580	4.5
461.09006	15.8
479.13089	53.0
479.18945	8.6
479.25464	4.2
480.13083	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.40807	0.2
53.03940	0.9
55.01858	0.6
55.05510	14.3
56.96552	0.3
57.03437	7.4
57.07068	1.8
57.28549	0.3
62.06092	0.6
62.06382	0.3
65.03924	0.9
67.05502	28.9
68.05827	0.5
69.07065	19.1
69.50150	2.7
71.04977	0.9
71.08622	1.0
79.05489	9.2
81.07053	30.5
82.07365	0.3
83.04975	1.1
83.08612	8.7
85.06518	1.0
85.10163	0.4
91.05478	6.1
93.07038	8.6
95.04955	0.7
95.08602	22.7
96.08908	0.3
97.06515	1.8
97.10168	4.2
98.06059	1.5
98.20753	0.5
98.98441	0.8
99.08055	0.4
105.07018	4.3
107.08585	4.9
108.16493	0.3
109.06499	0.5
109.10152	7.7
111.08056	1.0
111.11684	0.5
119.08553	3.0
121.10133	3.6
123.08075	0.7
123.11711	3.3
124.01592	0.7
125.09576	0.5
133.10123	3.7
135.11665	1.8
137.09650	0.3
137.13272	0.9
145.10106	0.5
147.11647	2.1
149.13179	1.5
151.11206	0.5
154.86914	0.3
161.13260	1.2
163.14801	0.6
165.12668	0.7
175.14865	0.6
189.16458	0.3
198.05237	0.4
200.19928	0.3
203.17870	0.3
216.06284	0.5
224.78989	0.3
231.92445	0.3
245.22552	0.6
263.23755	1.3
306.27896	14.5
307.28134	0.6
337.27347	100.0
338.27679	3.2
470.24918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.21723	0.8
53.03940	1.1
55.01847	0.8
55.05262	1.3
55.05508	12.4
57.03425	4.5
57.07066	1.9
62.06086	28.3
62.06412	1.4
62.65111	0.8
65.03929	1.1
65.18788	0.9
67.05504	30.3
69.07068	14.3
69.32390	6.0
69.32829	3.0
71.04986	1.1
71.08620	1.2
79.05482	9.9
79.35647	1.1
81.06585	1.7
81.07053	28.9
83.04983	1.3
83.08611	6.5
85.06557	1.1
91.05473	4.3
93.07034	11.3
95.04979	1.7
95.08606	21.8
97.06512	2.0
97.10141	3.0
98.06031	2.1
98.98470	8.8
105.07017	4.2
106.19687	0.8
107.08580	7.7
109.10164	7.1
111.08086	1.2
116.35666	0.8
117.07028	0.8
119.08574	3.5
121.10121	5.0
123.08170	0.9
123.11700	3.1
124.01612	1.7
125.09610	1.0
133.10115	3.5
135.11664	2.7
137.13255	1.4
141.41301	0.8
142.02640	1.6
147.11646	1.4
149.13298	1.5
151.14827	1.0
155.01035	7.2
157.10066	0.8
161.13216	1.8
163.14841	1.9
172.43661	0.8
173.02112	2.3
175.14821	1.3
198.05240	2.3
216.06268	4.4
245.22646	2.4
263.23688	6.5
267.47150	0.8
287.50082	0.9
306.27905	14.8
319.26193	1.3
335.25833	1.0
337.27356	100.0
338.27737	3.2
460.28177	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.1
55.05268	6.2
55.05510	78.4
57.03421	9.7
57.07086	5.8
65.03910	4.3
65.48127	3.7
67.05501	100.0
69.07065	23.0
71.58262	5.7
71.67683	3.6
72.50839	4.3
73.06533	3.9
79.05486	77.4
81.07052	81.5
83.08618	28.9
85.06535	5.9
90.63396	4.0
91.05479	38.0
93.06475	4.6
93.07043	55.7
95.04935	7.1
95.08601	91.6
97.06519	6.4
97.10168	34.3
105.07018	25.1
107.08586	46.3
109.10146	34.7
111.11633	4.8
117.07018	12.7
119.08571	23.4
121.10152	31.8
123.08049	5.0
123.11687	12.3
125.09618	38.0
131.08546	22.4
133.10121	13.5
135.11658	17.9
143.10646	7.6
145.10168	18.5
147.11676	13.0
149.13289	11.2
157.09975	4.1
159.11644	13.3
161.13274	8.4
173.13248	8.9
175.14870	6.2
185.13164	7.6
187.14861	4.4
199.13283	10.8
205.19563	3.9
243.21144	4.6
261.22144	16.8
317.24606	5.6
333.93576	4.1
335.25745	6.1
362.89520	4.5
367.29828	6.1
385.30887	17.0
403.32077	8.2
459.13751	5.0
459.34409	15.0
477.35803	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.2
55.05510	92.3
57.03431	12.0
57.07058	4.5
59.04992	4.6
62.38579	2.1
65.03938	3.8
67.05502	95.6
69.03420	6.2
69.07063	25.3
71.04984	3.0
71.59056	2.5
72.10258	2.7
79.05492	93.9
81.07053	100.0
81.07529	5.4
83.04974	8.4
83.08618	29.6
91.05481	37.1
93.07043	63.6
94.14404	2.7
95.04959	8.2
95.08603	94.0
96.08949	2.9
97.06534	6.9
97.10170	44.8
98.56258	2.6
103.05471	2.5
105.07013	22.2
107.08597	51.6
109.10154	30.2
111.08116	2.4
117.07005	11.9
119.08552	19.6
121.06545	2.6
121.10139	31.5
123.08029	5.0
123.11666	11.7
125.09623	44.1
131.08556	16.4
133.10135	14.4
135.11693	20.9
140.40419	2.5
142.01437	2.3
143.08643	4.9
143.10672	8.9
145.10136	13.4
147.11693	11.4
149.13258	12.9
159.10272	4.2
159.11693	12.3
161.13254	6.0
163.14815	4.5
171.11656	4.2
173.13287	7.6
175.14807	4.4
187.14856	5.3
199.13283	8.3
208.16582	2.7
217.14383	4.5
243.21072	3.7
245.22554	3.3
259.20557	3.4
261.22043	15.2
269.10641	6.0
335.25677	7.4
354.35928	2.6
385.30972	9.1
403.32086	10.2
451.15268	2.4
459.28046	2.7
459.34430	11.3
477.35773	78.0
478.36041	5.1
486.77194	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	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.8
55.05509	79.0
56.96563	3.0
57.03431	10.4
65.03934	6.5
67.05503	100.0
69.03418	6.9
69.07061	28.8
69.39733	12.4
69.40157	13.1
71.04987	10.4
71.72876	2.6
73.76597	2.5
79.05488	57.2
80.12079	3.2
81.03408	15.5
81.07058	66.2
83.04978	12.4
83.08617	33.0
85.02895	4.8
91.05478	75.3
93.07039	51.7
95.04976	24.5
95.08617	30.3
97.06534	9.5
97.10169	41.9
103.05472	12.2
105.07022	50.8
107.04957	14.2
107.05637	2.5
107.08585	36.0
109.06503	6.6
109.10156	35.7
111.04436	4.9
111.08057	7.8
112.58868	2.4
113.96074	3.0
114.81439	2.8
115.05488	9.6
117.07007	52.6
119.04916	8.2
119.08574	29.6
121.06524	19.5
121.10140	17.7
123.08054	7.9
125.09624	43.5
128.06215	11.8
129.07001	31.7
131.04950	7.5
131.08569	34.6
133.06499	17.4
133.10130	16.2
135.08054	11.6
135.11699	8.1
141.06972	14.9
142.07878	3.3
143.08539	18.2
145.06482	16.8
145.10112	20.2
147.08047	12.9
147.11681	10.8
149.09613	8.4
149.13297	4.2
153.06938	3.6
153.09052	4.8
155.08528	15.9
155.10657	3.2
157.06525	6.1
157.10103	13.4
159.08031	7.2
159.11723	7.9
163.07408	3.0
163.11208	12.8
167.08539	5.3
169.10144	12.2
171.08011	8.2
171.11705	11.6
173.09602	6.4
173.11787	6.5
173.13116	6.8
183.08005	4.3
183.11720	7.5
185.09586	4.7
185.13283	8.6
187.11197	3.8
187.14792	8.4
189.11185	20.2
189.16209	2.7
191.10629	3.7
193.12297	3.3
195.11682	7.0
197.13280	10.6
199.11195	4.8
203.14313	5.2
209.13321	4.6
213.12793	11.4
215.14307	28.5
227.12692	15.1
229.14342	9.5
231.13794	16.1
233.15398	14.0
245.13828	6.8
249.02930	3.2
249.14792	6.2
270.28284	3.1
273.14856	4.1
289.17972	3.6
305.17514	8.3
321.22427	3.4
339.23096	12.0
349.21585	13.8
357.24442	5.3
367.22693	35.9
385.23752	41.5
403.25037	15.4
441.26123	12.9
452.81711	3.4
459.27432	34.5
460.27637	3.0
477.22141	5.9
477.28503	82.0
478.28763	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49359	2.1
53.03181	3.2
53.03938	7.9
55.01857	6.4
55.05509	28.5
57.03428	8.1
57.07079	3.7
57.23298	1.7
58.20889	1.9
65.03938	3.5
67.05505	56.0
69.03426	6.6
69.07063	20.4
69.95080	1.7
71.02199	4.5
71.02536	2.1
71.04983	4.7
73.02893	3.0
79.05493	43.4
81.03421	50.0
81.07058	100.0
83.04984	13.7
83.08617	17.6
85.06537	4.4
91.05477	48.8
93.07044	37.6
95.04971	24.6
95.08604	32.3
97.02859	2.4
97.06553	8.6
97.10163	7.0
99.04449	3.5
99.08080	2.6
100.37546	2.0
103.05489	2.8
105.07032	49.4
107.04954	14.7
107.08592	26.0
109.06500	10.0
109.10164	9.2
111.04482	3.9
111.08081	7.2
115.05456	4.8
117.07021	15.1
119.08578	35.4
121.06481	10.2
121.10149	22.5
123.04449	3.4
123.08094	6.2
123.11704	19.0
125.09628	4.9
127.07549	1.9
128.06216	5.8
129.06995	17.3
131.04922	4.1
131.08568	21.1
133.06506	5.7
133.10149	10.1
135.08073	4.6
135.11679	10.3
137.05911	2.1
137.09613	3.4
141.06982	6.3
142.07776	4.7
143.08562	12.8
145.06483	6.6
145.10112	14.6
147.11691	56.1
149.09604	5.3
149.13312	3.8
154.07738	4.1
155.08528	9.8
157.06499	2.9
157.10127	14.0
159.08008	2.6
159.11697	8.5
161.09650	2.2
163.11192	7.3
165.06966	2.5
165.12758	23.5
167.08649	4.7
169.10133	9.4
171.08057	3.9
171.11707	7.7
173.09627	4.3
173.13306	3.9
175.11168	9.7
181.10178	3.8
181.12328	2.1
183.08022	3.1
183.11678	7.7
184.95061	2.1
185.09637	2.4
185.13240	3.1
187.11214	2.6
187.14807	2.9
189.12752	3.1
193.10498	2.9
193.12219	16.7
195.08086	3.7
195.11649	4.4
197.13226	6.2
199.11212	4.5
201.66307	2.2
209.13292	3.0
211.14827	2.8
213.12820	5.2
215.14345	5.4
219.11673	2.1
225.12512	2.2
227.12724	13.4
229.14346	5.6
231.13770	3.2
233.15504	2.4
237.12880	1.8
243.13872	2.2
249.14693	2.3
265.14398	2.3
267.15933	30.3
285.16995	5.4
307.20438	2.0
311.23541	2.3
313.21552	2.7
321.22055	3.9
325.21445	2.8
339.23248	8.1
349.21597	6.6
357.24258	8.9
367.22717	16.9
373.23917	3.7
385.23749	24.9
399.25397	2.9
403.24872	4.9
417.26395	2.8
423.25412	4.2
429.26385	3.0
441.26517	13.4
459.27365	19.2
477.28519	73.6
478.28891	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	477.2844
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03941	10.1
55.01865	13.3
55.05270	3.6
55.05510	51.3
56.96555	3.6
57.03442	19.8
57.07068	4.2
59.04982	3.0
61.02916	3.7
65.03920	5.2
67.05500	58.3
69.03429	17.9
69.07056	28.3
69.50580	10.7
69.51000	10.9
71.01367	3.6
71.04980	9.1
73.02920	4.5
79.05486	67.9
81.03408	24.1
81.07052	74.5
83.04975	14.8
83.08607	25.3
85.02884	7.9
85.06542	3.5
86.08460	2.6
88.62607	2.8
91.05476	74.9
93.07036	61.8
95.04952	20.2
95.08614	35.0
97.02895	12.9
97.06528	8.8
97.10146	24.2
98.97585	5.5
99.08110	2.7
103.05448	5.8
105.07024	56.8
107.04945	17.3
107.08589	42.6
109.02861	5.9
109.06515	10.3
109.10123	19.5
111.04433	7.3
115.05459	8.7
116.06179	3.6
117.07015	43.5
117.07768	5.4
119.04933	4.9
119.08579	43.4
121.06468	15.3
121.10143	22.5
123.04398	4.2
123.08055	7.9
123.11739	6.1
125.09635	21.8
127.03934	3.5
128.06245	13.0
129.05527	4.2
129.07001	41.7
131.04897	4.6
131.08562	55.3
133.06487	12.6
133.10136	23.5
135.08026	6.5
135.11668	15.9
137.09590	5.1
139.11194	2.8
141.06985	25.5
142.07768	12.2
143.08542	41.8
144.09282	3.0
145.06503	16.0
145.10103	35.9
147.08051	10.7
147.11693	14.9
149.01233	3.8
149.09631	9.9
149.13252	7.4
152.18607	2.8
153.06989	9.1
154.07750	8.9
155.05916	2.9
155.08546	39.5
156.09344	6.0
157.06511	11.9
157.10127	32.5
159.08064	12.2
159.11674	20.4
161.09648	6.2
161.13242	4.7
163.11200	9.9
165.06978	7.7
167.08556	18.4
168.09366	6.6
169.06503	7.2
169.10110	31.9
171.08078	11.6
171.11670	23.1
172.08751	3.2
173.09657	16.7
173.13272	10.6
175.11220	7.9
177.00713	8.1
177.12732	3.2
179.08566	9.9
181.06470	8.1
181.10129	17.9
181.12039	3.4
182.10741	3.0
183.08037	8.8
183.11702	21.6
185.09625	15.0
185.13255	16.3
187.11160	7.3
187.14838	8.4
189.11223	14.0
189.12697	4.7
191.10684	3.5
193.10168	9.0
193.12053	3.6
195.08263	3.7
195.11707	19.3
197.09634	11.4
197.13206	18.4
199.11174	11.4
199.14896	6.6
200.11856	3.0
201.09198	3.4
201.12802	6.3
205.10223	3.9
207.11665	4.2
209.09677	5.7
209.11519	4.0
209.13271	8.0
211.11223	12.0
211.14836	3.9
213.12704	8.3
215.10767	3.2
215.14352	10.7
217.12326	5.4
219.11807	4.4
221.13271	7.2
223.11192	7.1
223.14806	6.2
225.12762	4.5
227.12756	7.4
229.12216	4.7
231.13976	2.9
233.15329	5.7
237.12781	3.7
239.14290	4.7
239.17993	3.4
241.19559	4.6
245.13730	3.4
251.14330	4.2
257.15479	5.1
259.20703	4.0
269.15311	3.2
271.20602	3.5
276.79935	3.1
277.21805	4.0
296.20926	2.9
297.21991	3.1
299.20059	3.4
301.21780	4.2
306.98987	2.7
307.20532	6.9
313.21707	5.9
321.22049	9.3
325.21619	10.3
326.44922	3.0
331.20142	3.9
337.21625	5.5
339.23169	15.4
343.22769	4.4
349.17322	5.1
349.21472	26.6
357.24158	8.8
367.22696	47.9
368.23038	4.2
373.23685	4.6
385.23691	37.9
387.25354	12.4
389.26837	2.9
399.25357	4.9
403.24817	9.1
417.26270	13.5
423.25281	6.0
429.26346	15.0
441.26382	62.2
459.27341	68.2
460.27942	3.7
477.28452	100.0
478.28519	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	477.1389
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
70.06553	0.2
71.56865	0.3
75.25903	0.2
85.02922	0.2
85.07663	0.5
86.09702	0.3
89.06037	0.3
89.07166	0.3
96.05624	0.3
105.01966	0.2
133.08661	0.2
135.05336	0.2
145.02809	0.2
148.05226	0.4
151.13177	0.2
153.01808	0.4
229.04912	2.7
257.04398	5.0
272.06766	11.2
273.07275	0.3
283.06094	0.4
285.03998	1.2
287.05658	0.2
299.05420	1.5
300.06265	40.6
301.03531	0.3
301.06433	0.9
315.08591	100.0
316.05701	0.3
316.08948	1.7
380.74457	0.2
433.20663	0.9
445.26685	0.5
477.13626	0.5
477.19400	0.5
477.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20242	9.0
53.03941	15.8
55.05508	71.3
55.24801	8.2
57.03407	11.8
67.05497	80.3
69.03410	21.8
69.07053	37.4
71.04981	15.2
71.57841	12.5
79.05488	61.3
81.03403	30.2
81.07059	100.0
83.04990	13.1
83.08614	47.6
85.02905	26.6
87.15633	8.6
91.05476	52.2
93.07063	54.0
95.04953	36.1
95.08611	78.1
97.02899	20.6
97.10172	42.1
99.04456	16.5
105.07006	50.1
107.04949	12.0
107.08584	52.1
109.06531	9.7
109.10168	56.2
111.08067	15.3
113.06004	23.3
115.05400	10.2
117.07007	23.5
119.08572	29.6
121.06511	19.5
121.10134	21.6
123.08028	21.1
125.09636	18.8
127.03957	12.0
129.07018	22.1
129.09117	17.1
131.08578	19.8
133.10123	36.4
135.11690	15.1
137.09644	14.8
141.09071	10.9
145.06485	14.8
145.10135	20.7
147.11707	17.5
149.09654	15.3
149.13367	9.8
151.14812	28.4
155.10680	11.9
159.11707	10.8
163.11192	11.0
175.14832	26.4
176.68713	9.9
179.03336	10.4
185.15407	10.1
193.15848	53.0
197.13237	9.8
211.16841	50.1
223.11751	10.7
227.12798	10.9
239.03389	31.3
268.03522	13.2
314.91016	12.2
315.08554	47.0
327.98795	8.7
349.21478	10.7
367.22806	18.7
385.23730	29.1
403.24799	14.3
416.79938	9.4
459.27267	15.2
477.11172	15.0
477.28455	70.0
485.27527	10.5
499.57669	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1389
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03941	1.1
55.02833	0.8
55.05508	1.3
55.78949	0.7
55.86955	0.7
56.96564	0.8
63.45127	0.7
67.05499	1.1
69.03417	0.9
70.06582	1.0
71.04991	2.0
71.57091	1.2
72.18661	0.7
79.05503	1.3
81.03417	0.8
81.07036	1.3
81.37039	0.6
85.02903	3.6
86.09684	1.4
88.54269	0.8
91.05492	1.8
95.08594	1.6
97.02864	0.9
100.07545	0.9
105.07046	1.5
107.08598	0.9
109.06536	0.8
111.04419	2.2
111.77283	0.8
115.66925	0.7
117.03403	1.1
119.04940	2.0
120.08113	1.8
120.08967	0.7
121.06503	1.6
125.09543	0.9
133.71480	0.7
137.06007	1.3
139.03905	2.6
145.02852	3.3
148.05177	1.9
149.06033	1.1
152.01033	1.3
161.09576	1.1
163.03885	2.2
167.03398	7.0
175.03943	5.4
177.05501	2.9
178.22337	0.7
201.59203	0.8
226.06302	0.9
227.07028	1.6
231.06432	1.1
240.04172	2.2
243.06638	1.0
244.03587	0.9
244.07236	1.6
254.05815	1.0
255.06447	4.7
259.09677	3.2
272.06732	1.6
282.05212	1.9
283.02438	4.2
283.05618	0.9
287.09143	1.4
300.03168	0.8
300.06229	4.8
306.64407	0.9
315.04999	10.7
315.08578	100.0
316.08878	1.4
361.02127	2.5
379.03516	1.0
402.15906	1.0
428.01892	0.8
477.10278	1.2
477.18164	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	477.1387
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
54.40314	0.3
57.56491	0.2
67.05507	0.9
68.99797	0.4
69.03434	0.3
69.07087	0.5
70.36624	0.3
71.02946	0.5
76.85751	0.3
79.05499	0.7
79.64779	0.3
81.03407	0.5
81.07071	0.8
83.08653	0.3
85.02899	0.8
91.05486	0.7
93.07038	0.5
95.05011	0.4
95.08619	0.5
98.97559	0.5
103.51837	0.3
105.07041	0.5
107.04987	0.3
109.10177	0.6
116.98625	0.4
119.08566	0.4
121.06523	0.3
121.10238	0.3
131.08623	0.3
132.05717	2.0
133.06494	0.5
135.04376	0.3
137.09619	0.4
140.01065	0.4
145.75523	0.3
147.11650	0.4
165.09094	4.7
168.00540	1.6
177.00783	0.4
186.01584	3.0
193.12343	0.4
198.06790	0.3
201.07982	0.4
226.06154	0.3
229.04993	1.1
254.05751	0.8
255.06392	0.5
257.04520	2.2
269.04541	0.6
269.07990	0.5
270.05154	0.4
271.06131	1.5
271.12180	1.0
272.06839	1.3
282.05203	0.6
285.03931	7.3
299.05481	8.8
300.06262	61.2
301.06540	2.0
315.08591	100.0
316.08939	2.2
327.46393	0.3
384.27805	0.3
385.23761	0.4
430.12701	0.3
432.18860	0.3
472.91168	0.3
477.28601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01864	5.3
57.03429	6.0
61.02930	1.2
62.64590	1.2
65.03938	2.8
67.05495	4.7
68.99774	2.1
69.03421	3.4
69.70319	7.8
70.06591	1.9
71.04955	2.3
72.08125	1.2
74.06060	1.2
75.05603	1.6
79.05478	3.2
81.03407	4.3
81.07027	1.6
83.01327	2.5
83.04980	2.2
84.04520	1.1
84.08102	1.4
85.02898	27.4
86.09708	1.9
89.07137	3.0
91.05472	5.3
93.03400	13.7
93.07076	1.3
95.01341	2.1
95.04964	12.6
97.02878	5.4
103.03935	1.8
103.05469	1.4
105.03406	6.3
105.07013	3.8
107.01322	1.6
107.04974	6.3
109.02876	5.8
109.06508	2.6
111.00784	3.4
111.04439	5.5
117.03448	1.2
117.07008	2.1
119.04940	6.9
121.02863	10.5
121.06513	2.7
123.04430	10.7
123.08089	1.2
125.02345	3.3
127.03938	1.3
131.04890	3.1
133.02835	1.9
133.06464	4.7
135.04440	5.9
137.02263	1.1
137.05951	1.8
139.03865	4.5
141.01790	1.6
145.02846	2.9
145.06479	2.4
147.00761	1.3
147.04427	8.8
149.02339	4.2
149.05977	2.7
151.03897	4.0
153.01839	5.0
157.06326	1.1
159.04414	5.8
161.02310	1.6
161.05965	5.2
163.03903	9.8
165.01852	1.5
165.05544	1.4
167.03355	2.1
171.04376	2.1
173.01131	1.0
173.02296	5.7
173.05853	1.1
175.00261	5.5
175.03981	2.4
177.01855	5.7
177.05418	3.8
179.03432	1.7
187.03963	6.3
189.01814	12.2
189.05486	1.9
191.03395	25.0
193.01221	2.5
195.02879	17.7
199.03931	1.3
201.01782	1.4
201.05534	1.3
205.01389	1.5
205.04921	6.1
207.02888	29.6
209.04433	4.2
211.03938	1.6
215.03317	3.3
217.05092	1.8
219.02881	93.8
220.03159	2.2
221.04543	2.3
223.02377	4.9
225.03928	27.4
229.04944	4.0
231.02934	2.9
233.04477	12.9
235.02225	1.1
237.03937	100.0
238.04256	2.6
243.02896	2.3
245.04512	4.0
247.05980	3.2
249.03893	5.0
251.05638	1.6
257.04419	3.5
261.03949	83.4
262.04340	1.7
273.03946	16.8
275.05588	2.2
285.03888	8.7
291.01917	1.8
291.04968	20.8
297.07672	2.8
303.04993	28.2
309.07654	6.7
315.08557	2.5
321.02234	1.3
321.06021	26.8
327.08527	12.4
339.07773	39.1
357.09866	5.1
363.08347	1.7
381.09656	7.6
393.09613	12.1
405.09659	3.5
423.10645	3.9
423.92398	1.4
426.21307	1.2
441.11676	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05504	11.9
57.03431	5.4
59.21243	1.3
62.05785	2.1
62.06089	36.8
64.11490	1.3
67.05187	2.0
67.05507	32.8
69.03461	1.4
69.07079	9.8
69.88467	1.9
69.88871	6.6
73.47059	1.4
78.44148	1.5
79.05492	21.8
81.07056	29.1
83.08610	6.0
90.60336	1.5
91.05485	14.0
93.07034	22.7
95.04974	3.6
95.08606	21.6
98.98469	11.1
102.53288	1.3
105.07018	8.0
107.08600	9.1
109.10169	10.2
116.81837	1.4
117.07032	2.1
119.08571	7.3
121.10133	10.3
123.11697	1.9
124.01554	1.9
131.08563	3.5
133.10117	5.7
135.11696	4.4
145.10118	2.7
147.11690	4.5
149.13251	2.9
155.01091	3.1
159.11617	1.8
161.13177	1.6
173.02071	3.9
175.14825	2.5
198.05188	2.8
216.06317	4.3
243.21269	1.6
247.61977	1.4
261.22220	7.8
304.26266	12.8
317.24664	2.4
335.25784	100.0
458.26355	2.0
476.27951	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	477.1401
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
54.14931	0.3
58.00759	0.3
66.15182	0.3
69.37299	2.9
72.33399	0.3
75.43024	0.3
76.58426	0.3
93.07047	0.3
98.21458	0.5
108.32253	0.3
111.04456	0.3
113.34779	0.3
115.01984	0.3
117.97276	0.3
124.45554	0.3
134.03604	1.0
150.82950	0.3
151.03958	0.3
167.03413	3.7
167.04761	0.6
169.01312	0.6
173.05890	0.3
175.03909	0.4
184.03662	4.3
184.05200	0.7
192.70740	0.3
195.04340	0.5
199.07571	0.3
201.05461	0.8
212.04643	1.1
215.06941	0.4
216.07735	0.8
223.03870	0.4
227.06984	0.8
229.04965	1.4
240.04146	2.0
243.06554	2.8
244.07317	2.9
255.06512	3.3
257.04483	0.6
259.09647	1.1
267.02866	0.7
268.03641	1.5
271.06024	0.9
272.06775	1.5
283.05972	3.3
285.04147	0.6
299.05521	3.3
300.06265	20.4
315.08594	100.0
316.08905	1.7
326.65570	0.4
412.82504	0.3
445.26880	0.3
458.31586	0.4
476.32834	48.6
477.33148	28.5
477.40506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01855	0.5
55.05265	0.6
55.05510	8.5
57.03192	0.7
57.03439	8.4
57.07064	0.5
65.03931	1.3
67.05501	37.5
68.05819	0.5
69.03419	0.7
69.06720	0.8
69.07064	8.7
69.18123	0.5
70.64134	1.0
70.64506	0.9
71.04987	0.7
79.05490	17.7
81.07052	27.6
83.04967	0.7
83.08602	3.2
85.06524	0.5
87.80128	0.5
91.05477	9.3
93.07037	16.9
95.04958	1.7
95.08601	23.1
97.06506	1.1
97.10164	1.3
105.07030	5.6
107.04998	0.5
107.08585	7.8
109.06509	1.3
109.10155	6.7
111.08117	0.5
117.07028	1.5
119.08581	3.3
121.10136	5.6
123.08049	0.6
123.11694	2.0
124.01550	0.5
131.08572	2.2
133.10100	2.4
135.11679	3.1
145.10129	1.8
147.11674	1.8
149.13248	2.0
159.11705	0.9
161.13261	1.2
170.42140	0.5
173.13190	0.8
187.14955	0.6
216.06290	0.8
243.63718	0.5
261.22058	1.2
304.26288	1.8
319.92224	0.4
335.25775	100.0
336.26285	3.3
352.86566	0.5
425.11319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
55.01845	1.0
55.05507	4.3
56.05043	3.8
56.96558	1.0
57.03412	1.8
57.07073	0.8
60.00223	0.8
61.02925	1.3
66.18385	0.7
67.05502	6.7
69.03405	3.4
69.07082	4.2
69.41496	2.0
69.41911	5.4
70.06586	0.8
71.04978	1.4
73.02923	0.7
74.02427	1.2
79.05499	7.2
81.03410	2.2
81.07056	15.5
82.06586	1.2
83.04955	1.5
83.08617	2.3
84.08143	1.0
85.02893	5.3
86.09726	0.9
91.05471	8.0
92.05788	1.5
93.07034	8.7
94.06577	1.8
94.07367	1.1
95.04955	2.2
95.08054	1.1
95.08604	13.2
97.02892	2.5
99.08088	1.2
100.52760	0.8
102.05517	2.5
103.05464	0.9
105.01849	0.9
105.07023	17.4
107.04936	1.5
107.08580	8.8
109.02872	1.6
109.06485	1.8
109.10142	2.7
117.07013	1.3
119.04885	0.9
119.08578	35.1
120.08112	0.7
121.10129	3.7
123.11689	1.2
125.06029	0.8
127.03913	2.3
131.08549	2.7
133.10121	23.6
134.10475	1.2
135.08058	0.9
135.11711	3.7
136.07584	1.0
137.05902	0.9
141.07176	0.8
142.08618	2.1
143.08545	1.4
145.04900	0.8
145.10094	1.8
147.11696	5.1
149.09586	1.0
149.13335	1.0
151.07422	0.8
152.03754	1.1
154.08630	4.8
157.10159	1.1
161.05983	1.1
173.13319	0.9
175.14818	100.0
176.15157	2.7
177.05473	0.9
187.10817	1.6
193.12198	0.9
193.15868	1.3
214.18050	0.7
226.06198	1.6
244.11729	0.8
254.05682	6.4
268.27975	0.8
274.90045	0.9
282.05173	4.9
300.06155	3.1
315.08600	28.8
316.12628	1.1
317.11362	0.9
333.13324	0.8
334.13541	3.1
334.51956	0.9
348.26193	1.3
357.09616	0.9
378.13849	1.6
385.23840	1.0
433.18497	1.2
444.18951	1.1
458.25842	0.9
476.20828	1.8
476.31778	6.8
477.13739	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	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05502	3.6
56.05023	2.7
57.03431	1.8
67.05496	5.2
69.03418	2.1
69.07050	4.1
70.06577	1.9
71.04974	3.3
71.57616	1.9
73.02898	1.6
73.22285	1.3
79.05469	6.6
81.03415	3.2
81.07050	11.3
82.06577	1.4
82.46015	1.1
83.08589	1.8
84.08129	1.4
85.02885	4.7
85.06561	1.3
86.09695	2.7
89.69744	1.4
91.05498	6.1
93.07047	8.8
94.06540	1.6
95.04956	2.9
95.08604	11.2
97.02905	2.1
97.06508	1.7
99.04446	1.7
99.08088	1.8
102.05531	2.7
105.01817	1.5
105.07027	12.0
107.08582	12.5
109.02850	1.4
109.10146	5.2
115.05405	1.4
117.07076	1.5
118.95006	1.2
119.04950	1.8
119.08578	23.7
120.08113	1.4
120.08938	1.2
121.06548	1.5
121.10136	2.9
122.06023	1.6
123.11673	4.2
125.09621	1.4
127.03905	2.0
128.07039	1.5
131.04991	1.6
131.08522	3.6
131.46796	1.2
133.10124	100.0
134.10487	2.2
135.08102	1.4
135.11688	25.4
136.07480	1.9
137.05992	1.6
137.09612	2.4
142.08664	1.6
145.10088	2.0
147.04382	1.4
147.11720	6.5
149.09689	1.4
154.08655	2.0
165.09206	1.7
172.03943	4.4
173.04256	2.9
175.14819	83.3
176.15160	2.2
187.10841	2.7
193.15881	55.5
194.16269	1.7
204.06499	7.5
205.06866	6.6
211.16920	3.1
253.12709	1.2
259.31665	1.6
315.08459	1.9
318.11685	1.4
331.08051	2.0
440.30014	1.8
476.19522	1.8
476.26935	5.0
476.33066	2.8
477.17270	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02768	0.7
53.03941	2.2
55.01867	4.6
57.03420	1.8
60.04518	1.5
61.02913	1.6
66.72385	0.8
69.03428	7.0
70.06601	1.9
71.04980	2.0
71.14056	1.3
71.14380	1.0
72.08136	1.4
73.02892	2.2
74.06065	0.8
79.05486	3.4
79.05904	0.8
81.03410	7.6
84.04484	0.9
85.02901	14.8
86.09709	3.9
87.00838	7.1
87.10017	1.1
88.11257	1.2
89.07175	0.9
90.27125	0.9
91.05466	3.0
95.04963	1.6
97.02890	6.9
99.04451	4.5
103.05449	5.7
105.01879	4.2
105.07022	46.7
107.04977	1.3
108.04459	4.1
109.02875	6.2
110.07166	1.1
115.04034	1.0
115.05449	11.1
118.04195	3.8
119.04907	1.0
126.05513	1.6
127.03902	11.5
129.01839	1.5
131.04929	2.5
133.06479	50.7
140.49423	0.9
143.04990	0.9
143.06042	2.4
145.04984	3.0
147.04416	1.3
159.02931	3.8
161.05971	100.0
162.06325	2.0
186.07669	0.8
192.38655	0.9
193.08592	73.8
194.08911	1.6
201.49176	0.9
215.53262	0.8
230.06577	1.0
231.05093	1.9
278.36206	1.0
290.41217	0.8
290.86243	0.9
314.10190	1.2
476.17715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2483
Annotation	Epothilone C6
Peak:m/z	Relative Intensity
53.03941	3.3
55.01863	3.0
55.05503	11.9
56.05010	3.3
57.03427	4.2
58.34513	2.0
61.02921	3.6
67.05494	7.3
69.03426	11.4
69.07051	4.0
70.02948	2.4
70.06596	3.6
71.08627	13.6
71.57652	3.0
72.08170	3.0
73.02900	3.3
78.58814	2.5
79.05487	7.0
79.66521	2.3
81.03412	6.5
81.07039	11.3
82.06583	2.8
83.08606	8.7
85.02888	13.3
86.06059	29.8
86.09695	17.8
87.00826	2.4
87.10049	4.3
91.05480	9.6
93.07040	9.3
95.04951	4.3
95.08608	8.2
97.02894	8.7
97.06525	2.2
98.06037	2.1
98.09686	4.7
99.04452	3.7
99.08076	20.4
100.07640	3.1
100.11259	11.5
101.02375	7.8
105.01877	5.0
105.07015	7.5
107.04973	2.9
107.08579	6.2
108.08077	3.2
109.02892	5.7
109.06509	11.5
109.10183	2.6
111.04446	2.6
111.08044	5.8
116.10696	13.8
119.08573	24.4
121.08909	2.0
123.11738	2.4
127.03910	8.5
128.06982	2.1
128.10712	2.6
129.16144	1.9
131.08583	2.7
133.10139	36.0
134.09621	2.7
135.11700	5.9
136.07620	3.0
137.05969	11.4
141.11430	3.9
142.08665	2.9
143.10690	3.2
145.04974	4.9
147.11624	5.0
152.10725	3.4
154.08646	2.7
167.07127	2.6
170.11752	5.0
175.14824	27.2
179.04488	2.0
180.10208	2.1
182.15472	5.4
187.87384	1.9
193.15834	4.4
198.11241	100.0
210.14972	8.2
211.16910	6.0
214.99438	2.2
216.12300	81.0
227.17598	3.1
235.55313	2.6
255.17110	3.5
314.19601	25.2
360.16565	8.2
378.17694	4.0
426.43759	2.1
458.25742	3.2
475.82922	15.1
476.25043	2.7
476.32150	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	475.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.05518	20.9
57.03442	20.3
57.07087	3.6
66.26483	2.9
67.05504	46.5
67.73570	2.8
69.07059	21.9
71.08649	3.4
72.18607	2.5
79.05489	31.7
81.07061	44.7
83.08636	10.9
91.05470	22.7
91.05926	2.4
91.28105	3.2
93.07043	37.1
95.04980	3.6
95.08604	61.7
97.06566	3.0
97.10194	5.5
98.76057	3.5
98.98464	26.9
100.84076	3.0
105.07041	29.2
107.08591	17.9
109.10172	11.5
111.08103	3.9
117.07043	8.4
119.08572	26.8
121.10155	15.7
123.08031	3.9
125.09622	3.2
129.07037	7.0
131.08540	15.7
133.10121	19.8
134.03247	3.8
135.11734	9.0
136.99976	14.8
141.07027	3.9
143.08629	9.4
145.10109	20.1
147.11736	12.9
149.13251	5.0
155.01044	22.2
157.10181	8.4
159.10318	5.0
159.11752	15.0
161.13271	6.4
166.65486	2.7
169.10226	5.6
171.11736	10.5
173.13342	7.9
183.11694	4.4
185.13231	3.5
187.15009	4.6
193.02762	4.3
199.14995	2.9
201.16403	3.2
211.03789	5.9
211.14984	4.8
213.16350	5.4
239.40025	3.2
244.60655	2.6
261.22144	5.2
289.22092	3.2
339.28799	18.8
363.25250	3.4
365.28299	13.5
383.29559	20.8
457.33133	15.1
475.33810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02768	0.7
53.03941	2.2
55.01867	4.6
57.03420	1.8
60.04518	1.5
61.02913	1.6
66.72385	0.8
69.03428	7.0
70.06601	1.9
71.04980	2.0
71.14056	1.3
71.14380	1.0
72.08136	1.4
73.02892	2.2
74.06065	0.8
79.05486	3.4
79.05904	0.8
81.03410	7.6
84.04484	0.9
85.02901	14.8
86.09709	3.9
87.00838	7.1
87.10017	1.1
88.11257	1.2
89.07175	0.9
90.27125	0.9
91.05466	3.0
95.04963	1.6
97.02890	6.9
99.04451	4.5
103.05449	5.7
105.01879	4.2
105.07022	46.7
107.04977	1.3
108.04459	4.1
109.02875	6.2
110.07166	1.1
115.04034	1.0
115.05449	11.1
118.04195	3.8
119.04907	1.0
126.05513	1.6
127.03902	11.5
129.01839	1.5
131.04929	2.5
133.06479	50.7
140.49423	0.9
143.04990	0.9
143.06042	2.4
145.04984	3.0
147.04416	1.3
159.02931	3.8
161.05971	100.0
162.06325	2.0
186.07669	0.8
192.38655	0.9
193.08592	73.8
194.08911	1.6
201.49176	0.9
215.53262	0.8
230.06577	1.0
231.05093	1.9
278.36206	1.0
290.41217	0.8
290.86243	0.9
314.10190	1.2
476.17715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01870	5.1
55.05501	12.7
55.83866	2.7
56.60157	3.2
57.03440	24.7
57.07073	52.7
57.16842	3.2
61.02648	4.4
61.02925	67.8
65.56198	3.0
67.05206	3.3
67.05503	30.2
69.03429	26.7
69.07064	11.1
71.01323	3.7
71.08634	38.6
71.58151	4.1
71.58846	3.3
73.02917	25.5
79.05482	11.7
80.01630	2.9
81.03410	25.3
81.07045	38.3
83.08617	22.2
85.02904	60.3
85.10193	22.5
85.10639	4.0
89.06032	3.6
91.03948	39.6
91.05485	8.4
93.07039	8.1
95.08603	46.6
97.02887	52.9
97.10153	14.2
99.04449	12.0
101.02371	11.8
103.03937	8.0
105.07035	4.0
107.04932	4.1
107.08593	4.8
109.02892	15.4
109.10151	17.7
111.11704	4.6
115.03907	4.9
117.05448	4.1
123.11730	14.7
127.03925	24.1
129.05496	4.7
131.08578	3.4
133.10167	4.2
137.13255	5.2
145.04985	10.2
165.57564	3.4
183.06511	6.0
201.07564	3.8
225.16631	3.1
231.15292	3.1
239.23692	30.7
257.24622	4.7
265.02551	2.9
294.18829	2.8
310.13443	3.1
313.27362	100.0
336.65140	3.4
475.32916	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.69064	1.9
55.01860	5.1
55.05505	10.9
57.03440	24.6
57.07077	46.0
61.02927	62.2
67.05506	23.7
69.03431	24.5
69.07072	13.6
71.01341	4.1
71.04967	2.1
71.08633	41.0
71.58141	3.0
73.02913	28.7
75.04503	3.3
79.05494	5.1
81.03426	17.7
81.07064	27.5
83.04968	4.0
83.08620	17.6
85.02905	57.3
85.10176	21.4
91.03950	36.5
91.05470	6.0
93.07041	6.6
95.04977	2.7
95.08609	36.4
97.02280	3.9
97.02888	49.1
97.10143	8.5
99.04452	9.7
101.02379	11.3
102.13810	1.8
103.03940	4.6
105.07025	5.1
107.08601	2.9
109.02866	11.8
109.10139	14.3
115.03936	3.8
117.07050	2.4
119.08550	2.5
121.10133	3.0
123.11716	7.7
127.03925	21.1
127.14869	2.0
129.05502	3.4
132.12895	2.1
135.11700	2.2
137.13306	3.3
139.14833	2.4
145.04961	7.8
147.04422	2.1
147.11668	2.7
149.13264	2.0
183.06554	4.3
201.07593	4.8
208.78571	2.1
221.22614	3.0
239.23668	24.6
251.27666	1.9
257.24728	4.7
281.87680	1.9
313.27368	100.0
314.27606	3.8
457.31436	3.4
475.32455	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01860	4.7
55.05504	7.1
57.03433	5.4
57.07072	2.6
61.02937	2.3
67.05500	13.4
68.99770	2.0
69.03429	26.0
69.07066	12.9
70.06586	4.0
71.01355	1.7
71.04990	8.0
71.56792	1.8
71.57194	2.3
73.02898	3.9
79.05481	11.7
81.03420	10.8
81.07049	25.5
83.04975	5.9
83.08611	3.3
85.02903	30.9
85.06540	11.5
85.67837	1.6
86.09687	4.1
87.00842	10.8
87.91271	1.7
91.05476	12.8
93.07050	28.7
95.04974	9.1
95.08606	23.4
97.02880	9.8
97.06521	10.8
99.04452	6.9
99.08089	8.8
105.01852	4.6
105.07033	23.0
107.04946	4.0
107.08600	50.3
109.02896	11.6
109.06516	19.5
109.10153	23.5
111.08080	4.2
117.07062	3.0
119.08577	22.4
121.06497	7.9
121.10146	31.2
123.08073	13.4
123.11666	4.9
125.09589	3.8
127.03911	16.9
129.01839	2.7
131.08554	24.7
133.10138	50.8
135.08054	13.2
135.11668	7.4
137.09610	18.4
139.07523	3.3
139.11183	5.1
143.08524	2.7
145.04933	2.6
145.10124	10.5
147.11691	17.2
149.09589	16.4
149.13261	44.6
151.11179	28.9
153.09105	5.8
155.43347	1.7
157.59457	1.7
159.02855	3.2
161.09590	4.3
161.13252	5.2
163.11130	2.2
163.14813	23.0
165.09087	3.1
167.14317	2.3
173.13261	45.1
177.96487	1.9
179.14377	2.0
191.14302	100.0
207.10100	2.1
209.15373	63.3
216.22052	1.7
227.16437	22.0
231.05258	1.7
269.10745	1.9
413.03064	1.8
475.16446	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92915	3.6
53.03966	4.1
55.01869	6.0
55.05503	10.7
56.17485	3.4
57.03420	4.4
57.42756	3.4
60.78399	3.8
67.05493	13.5
69.03441	19.9
69.07056	12.1
70.06592	9.3
71.04967	7.7
71.57562	6.1
75.83611	4.1
77.26663	3.9
79.05479	15.1
79.24123	4.1
81.03403	15.8
81.07064	34.7
83.04964	7.0
84.04489	3.3
84.08138	4.2
85.02894	35.1
85.06535	11.3
86.09714	6.2
87.00810	11.1
91.05495	17.7
93.07040	36.9
95.04972	7.8
95.08614	28.0
97.02870	10.1
97.06508	12.3
99.04466	8.9
99.08085	13.3
101.37955	4.5
101.67667	4.1
105.01848	7.6
105.07040	32.0
107.04942	4.8
107.08591	73.6
109.02861	10.6
109.06519	16.3
109.10136	21.4
111.08062	7.5
119.08633	22.5
121.06494	9.5
121.10139	44.8
123.08085	18.9
125.09624	4.4
127.03921	15.3
131.08580	23.3
133.10118	70.7
134.10481	18.0
135.08037	15.9
135.11668	7.2
137.09610	8.8
139.11179	17.9
145.10112	5.6
147.11673	20.2
149.09605	23.9
149.13257	49.2
151.11179	21.5
153.09102	5.5
159.02853	5.1
161.13245	12.9
163.11172	3.7
163.14777	26.3
165.12880	4.9
167.10660	7.3
167.89642	3.6
173.13239	50.6
174.13562	10.3
179.14198	6.5
191.14308	100.0
192.14667	11.6
209.15349	64.2
215.20003	3.8
227.16393	98.1
475.15811	11.9
475.24948	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92272	2.2
53.03945	3.4
55.01867	3.8
55.05507	10.2
57.03461	2.7
57.07064	2.5
61.02917	2.3
65.70506	2.2
67.05506	13.9
68.99805	3.5
69.03426	25.3
69.07069	9.5
69.74059	6.3
69.74473	10.9
71.04987	10.2
79.05487	8.1
81.03439	13.3
81.07054	28.0
81.78174	2.5
83.04979	5.3
83.08601	4.0
85.02905	27.1
85.06538	11.0
87.00820	11.8
91.05469	11.2
93.07050	26.6
95.04955	7.0
95.08603	31.8
97.02885	5.8
97.06533	9.0
99.04442	9.2
99.08092	5.5
105.01899	5.5
105.07019	25.0
107.08598	68.2
109.02885	11.0
109.06524	16.8
109.10156	26.5
111.08086	4.5
111.11701	3.3
119.08566	17.0
121.06509	8.5
121.10150	36.0
123.08066	18.4
123.11738	3.3
127.03944	13.9
131.08554	23.0
132.08931	2.7
133.10132	45.8
135.08060	11.4
135.11714	8.1
137.09604	20.5
139.07600	2.7
139.11185	6.1
143.08556	2.9
145.04906	5.8
145.10118	10.7
145.25221	2.5
147.08022	2.6
147.11641	16.0
149.09618	15.4
149.13261	47.2
151.11201	25.4
153.09137	2.4
159.02919	3.4
161.13255	7.0
163.14818	23.0
173.13268	54.1
179.14337	3.3
191.14314	100.0
207.13890	4.4
208.14148	3.0
209.15369	60.9
227.16432	48.3
231.05002	2.8
313.76120	2.6
325.35153	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	3.8
65.83905	3.0
69.82507	6.2
69.82916	17.2
72.08144	7.2
73.02360	3.1
74.02443	32.7
84.04498	5.1
84.08114	8.8
85.02908	3.2
86.09685	11.8
86.63535	2.7
87.05576	29.5
88.03986	8.3
97.02895	3.5
98.97605	6.8
116.03466	10.3
116.98576	3.7
129.10234	8.3
133.06075	100.0
134.04506	3.8
138.05382	3.2
146.99632	3.4
147.04434	3.6
154.85962	3.0
168.97311	3.3
172.99205	2.9
223.37122	3.6
237.02902	3.5
284.05179	3.2
346.13449	4.4
356.66339	3.6
475.27643	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	475.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71075	1.2
53.03928	3.2
55.01863	3.9
55.05500	1.5
57.03416	3.2
61.02896	2.0
64.24887	1.0
67.05489	5.3
69.03418	13.6
69.07065	2.7
70.13880	4.8
71.04595	1.5
71.04988	28.5
73.02890	3.0
79.05476	2.7
81.03413	16.1
81.07056	5.1
83.08601	3.6
85.02898	27.1
85.06538	11.1
87.00820	12.0
91.05438	2.1
93.07047	5.0
95.04957	2.3
95.08603	7.8
97.02881	9.0
97.06518	1.8
98.21475	1.6
99.04446	100.0
99.08124	1.2
105.01875	6.8
105.07017	4.0
107.08588	15.7
109.02866	11.6
109.06518	2.1
109.10129	8.8
113.09626	4.3
115.07555	1.2
117.01835	2.8
119.08578	2.6
121.10151	6.8
123.08061	15.4
123.11678	8.0
125.09596	4.5
127.03897	19.0
127.11179	1.4
129.01794	1.1
131.08548	2.4
133.10118	13.8
135.08002	1.1
135.11671	1.3
139.11179	3.2
145.04942	4.3
145.10118	2.9
147.02879	1.2
147.11652	3.5
149.09627	7.7
149.13252	9.3
151.11201	5.9
159.02907	5.5
165.12730	2.5
167.10730	1.4
167.14377	1.4
169.12227	18.9
173.13261	6.6
183.13782	26.8
185.11795	1.2
191.14302	7.3
209.15340	21.5
211.17000	1.4
227.16402	75.6
231.05011	2.3
251.16496	1.2
287.94012	1.1
380.72150	1.1
414.49493	1.1
442.03253	1.1
452.92203	1.2
475.32166	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	475.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97694	2.9
55.01872	12.4
57.03409	4.4
66.55556	3.0
69.03421	6.4
70.10715	8.4
70.11131	7.3
72.08141	10.2
80.12905	2.6
81.03412	5.8
85.02901	28.2
86.09693	7.1
92.23841	3.1
93.03402	3.5
97.02901	7.4
98.21551	2.9
103.03951	4.9
103.70547	3.7
107.04959	3.8
109.02867	9.8
119.04944	4.2
121.02852	21.5
123.04423	3.3
124.63268	3.4
127.03900	4.2
133.06477	3.3
135.04443	5.0
141.07030	3.2
145.06494	4.1
147.04398	7.3
148.19287	3.5
151.03909	7.8
159.04420	5.8
161.05948	6.1
163.03931	9.9
165.05571	3.4
171.04388	6.6
173.06035	8.6
175.03853	16.7
175.07471	3.4
177.05499	11.6
181.04973	26.1
185.06000	4.7
187.03842	18.3
189.05522	14.7
193.04974	37.2
197.05945	4.7
199.03854	5.7
199.07518	4.6
201.05467	27.9
203.03410	5.5
203.06978	5.9
205.04976	41.4
211.06021	7.1
213.05415	12.5
215.07132	5.5
217.04953	29.1
217.08322	3.2
219.02901	11.5
219.06439	19.4
221.04395	10.1
223.05974	35.3
225.05486	8.5
227.07021	10.7
229.04977	16.2
231.06512	14.9
233.04489	4.7
235.06029	15.6
239.07065	3.8
241.04926	19.5
243.06554	15.2
245.08127	6.3
247.06024	80.3
250.65646	3.1
253.05043	9.9
255.06441	6.5
257.04489	3.9
259.06012	87.6
259.08755	4.5
267.06549	4.2
269.08154	4.4
271.06003	42.0
273.07651	15.9
277.07083	33.4
279.06607	6.4
283.05862	19.0
285.07529	14.3
287.05447	8.7
289.07062	100.0
295.05951	8.4
296.06616	4.3
297.07504	13.5
301.07034	53.2
307.08234	30.8
309.07538	4.1
313.06857	64.9
319.08286	18.7
319.11435	3.4
325.09778	68.7
329.06824	3.9
331.08105	4.6
337.09445	18.9
339.08533	4.1
343.08096	46.1
355.07611	34.1
361.09296	27.3
367.08084	13.0
373.09219	32.3
379.10168	18.8
385.09180	17.9
391.10233	50.2
403.10092	25.7
409.11490	3.7
421.11279	27.0
439.12350	14.8
457.13080	4.5
493.76080	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2485
Annotation	Guan-fu-base F N-oxide
Peak:m/z	Relative Intensity
53.03927	3.9
55.01873	2.1
55.05515	9.4
57.07061	4.2
61.91097	1.8
67.05506	12.1
69.03416	5.7
69.07059	7.2
70.06590	2.2
71.04966	2.7
79.05491	16.6
80.05017	3.4
80.18551	1.8
81.07061	18.6
82.06583	5.8
82.16522	2.0
83.04979	4.4
83.08628	4.2
83.25816	1.8
84.04514	2.6
85.02898	4.5
85.06525	4.1
87.04463	3.2
89.26460	1.7
91.05482	27.3
93.07041	21.5
94.02927	5.0
94.06559	7.8
94.65459	2.0
95.04958	10.4
95.08617	12.4
96.04483	3.5
97.02886	2.0
97.06529	7.6
98.21613	4.4
103.05488	4.9
105.07033	36.0
106.06541	5.5
107.08595	20.5
108.04566	1.9
108.08128	3.2
109.06518	10.3
109.10149	9.8
110.02382	2.4
110.06040	8.6
112.03945	2.8
113.09673	2.5
114.01907	9.2
115.05404	2.7
116.34225	1.9
117.07010	8.8
118.06551	3.6
119.08584	47.5
120.08104	7.2
121.06502	3.2
121.10152	14.3
123.08097	10.5
123.11730	2.6
124.03963	3.7
125.09615	2.1
126.05507	7.4
128.03481	3.3
128.06232	8.5
129.07001	8.1
130.07802	3.0
131.08568	24.0
132.08125	6.0
133.06523	2.3
133.10123	22.8
134.06009	9.1
135.08049	9.0
135.11687	4.2
136.03964	2.4
136.07536	2.0
137.09612	7.6
138.01840	4.0
138.05479	2.6
140.03436	7.7
141.06999	5.2
142.07787	10.3
143.07413	2.8
143.08553	24.1
144.08075	4.5
144.09373	3.0
145.06485	2.5
145.08977	3.0
145.10092	27.5
146.06018	2.5
146.09613	3.7
147.08029	9.5
147.11676	10.7
148.07581	10.1
149.09625	5.0
151.07550	6.8
151.11238	2.8
152.03407	3.0
153.06921	2.2
154.04953	8.6
154.07765	2.9
155.08569	9.8
156.09334	13.8
157.10121	28.7
158.04503	3.3
159.08058	6.4
159.11656	15.8
160.07574	5.0
161.09589	6.4
161.13297	3.9
162.05513	5.0
163.11182	3.7
164.07024	5.1
165.06960	3.1
165.09085	15.9
166.05026	3.4
167.08540	5.7
168.09256	3.0
169.10129	10.5
170.04454	2.0
170.10915	4.7
171.11707	16.9
173.09639	7.1
173.13258	16.5
174.09175	2.9
175.11189	7.7
176.07048	4.1
178.04985	16.5
179.08533	2.2
179.10703	2.7
180.06505	4.8
181.10030	4.7
182.10951	6.8
183.11725	10.8
185.09625	2.3
185.13263	6.4
186.09091	2.5
187.11122	2.8
187.14830	3.3
188.05518	9.0
189.12697	4.7
190.08618	2.8
191.14281	4.5
192.06544	12.2
192.09332	3.4
193.10161	6.6
195.11768	9.2
197.13193	15.9
199.11130	5.6
199.14842	10.2
201.12679	2.7
202.08601	4.6
203.14322	7.5
204.06541	3.6
207.11748	7.0
207.13774	4.3
209.13290	4.6
209.15298	4.0
211.14722	4.5
212.10640	2.2
213.12810	3.2
215.14320	12.3
217.15872	2.3
218.08243	2.2
220.09500	2.1
221.13351	3.4
221.15364	22.2
223.14925	10.3
225.12827	3.6
228.08543	9.1
232.09671	2.8
233.13278	2.5
237.16441	3.4
239.17978	4.9
240.08705	7.8
241.15854	2.2
243.13789	10.4
248.09108	2.6
248.15608	2.7
252.08586	17.6
254.10269	3.4
257.18796	2.3
263.17917	7.5
266.10205	26.9
281.19058	13.4
287.20081	8.4
299.20056	100.0
300.20667	7.1
306.13403	4.7
311.13394	2.5
318.13333	2.4
342.77203	2.4
358.75385	2.3
364.19006	2.3
394.18515	18.2
438.22852	6.8
456.23642	14.1
471.13510	2.5
474.24823	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	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.05507	42.5
56.96555	8.9
57.07043	8.4
57.22144	6.2
59.19347	7.0
66.84956	7.1
67.05492	40.3
69.03407	15.0
69.04106	6.2
69.07057	63.7
71.04976	7.1
71.31447	18.3
72.00613	5.9
74.25158	7.0
79.05476	20.1
81.03403	22.3
81.07054	100.0
83.04993	10.5
83.08602	43.1
85.02917	39.5
85.03368	7.9
85.06528	18.8
85.10178	9.0
86.09682	8.3
89.81506	6.2
91.05478	24.5
93.07049	33.7
93.54483	6.9
95.04971	12.2
95.08595	92.0
97.02855	10.3
97.06508	7.8
97.10153	24.6
99.08063	7.7
103.05528	7.3
105.07013	29.4
105.37590	6.3
107.08585	40.2
109.10155	65.6
111.08040	7.3
111.11756	10.8
113.09627	8.0
119.08576	20.0
119.09982	7.2
121.10133	30.7
123.11730	41.5
125.09606	8.4
127.03838	9.3
131.08536	8.4
133.10075	7.2
135.11664	16.9
137.13248	18.5
143.08553	8.1
145.10132	14.0
149.13216	34.8
151.14783	10.5
157.10088	8.6
163.14772	18.4
165.09126	9.6
166.28452	7.8
275.27216	9.9
293.28229	17.0
354.73016	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	22.1
69.03410	14.8
69.52460	33.9
69.52875	18.2
71.04984	8.6
72.08134	12.0
79.05465	9.5
81.03426	19.2
81.07046	11.5
82.69899	6.6
85.02904	34.0
85.06539	17.4
86.09707	14.0
87.00812	7.0
91.05444	10.3
93.07032	20.3
95.04946	6.9
95.08603	70.2
99.04486	6.5
105.01843	9.4
105.07007	18.0
107.08566	37.4
109.02837	8.2
109.06511	7.5
112.81235	6.6
113.05974	8.2
119.08562	31.0
121.06441	6.6
121.10139	21.5
123.08067	29.7
127.03904	26.5
131.08554	11.3
133.10182	8.8
135.11723	8.1
137.09616	27.7
145.10115	8.7
147.08025	7.6
147.11665	24.7
149.09608	45.2
149.13316	8.9
159.02910	8.0
161.13237	26.2
167.10699	37.6
171.11734	9.6
177.12743	23.1
185.16554	7.7
189.12711	51.1
207.13808	100.0
225.14885	52.5
261.14413	7.6
301.15323	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	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01869	5.1
55.05490	6.5
56.37024	2.5
56.96557	4.0
57.03419	4.7
65.85854	3.1
67.05487	5.4
69.03434	16.5
69.07056	5.9
69.53158	6.1
69.53559	19.8
70.06572	9.2
71.04996	15.5
72.08142	18.2
73.02881	4.9
79.05495	8.8
81.03419	18.1
81.07047	13.6
83.04968	8.0
84.04475	4.1
84.08125	4.2
85.02898	40.1
86.09699	41.0
87.00812	13.7
91.03940	3.9
91.05471	13.2
93.07032	9.3
95.04953	11.2
95.08583	17.1
95.41797	2.7
97.02904	15.4
97.06501	6.8
98.21545	5.4
99.04435	9.0
100.05555	2.8
105.01851	6.4
105.07029	17.9
107.04953	6.8
107.08574	13.3
107.11411	2.6
109.02873	15.8
109.06513	8.9
109.10159	4.0
113.09660	3.9
117.07008	3.3
119.08551	16.3
121.06509	5.8
121.10129	14.6
123.08056	24.4
127.03916	27.3
129.06976	2.8
131.08560	4.8
133.06494	3.2
133.10138	9.5
135.08055	8.2
137.05936	15.3
137.09579	13.9
143.08604	3.3
145.04927	9.8
145.10120	5.0
147.07996	8.5
147.11693	10.6
149.09634	26.1
151.07523	23.5
153.09148	3.2
159.02838	6.0
161.09583	7.1
161.13254	14.6
163.11165	13.7
165.09090	5.2
165.12753	11.2
167.07123	3.5
171.11659	6.3
179.14313	11.1
189.12746	49.0
207.13788	100.0
208.14224	3.0
215.13885	4.1
225.14874	29.7
231.04961	3.5
237.02747	3.2
243.13420	7.3
249.76036	3.6
327.26440	5.4
369.11304	3.1
473.14606	6.6
473.20297	10.3
473.30603	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99204	1.0
53.03942	1.5
54.05091	0.9
55.01881	2.6
57.03440	1.4
60.26946	0.8
61.02926	1.2
64.95307	0.9
67.05496	2.1
69.03436	7.7
69.07062	2.5
71.04989	3.0
71.28917	1.3
71.29265	1.8
79.05489	3.5
80.92760	0.9
81.03424	7.1
81.07061	5.2
85.02909	15.0
85.06539	2.3
86.09719	3.0
87.00809	5.4
91.05455	4.7
93.07049	8.4
95.04923	1.4
95.08599	3.4
97.02888	4.5
97.06528	2.8
99.04452	6.3
103.05482	1.1
105.01890	3.3
105.07028	15.4
107.04942	1.1
107.08593	23.5
109.02904	7.0
109.06497	5.5
109.10166	6.3
110.07188	1.6
119.04967	1.7
119.08577	10.2
121.06495	7.5
121.10128	8.0
123.08049	2.6
127.03936	11.0
127.11227	1.0
129.01854	1.5
129.06958	1.6
131.08551	5.6
133.10147	3.4
137.09612	13.6
143.08546	2.1
145.04971	3.1
145.10130	3.1
147.08046	3.9
147.11684	14.8
149.09621	17.8
149.13268	3.6
155.10678	1.9
156.09389	2.3
159.02898	1.4
159.11728	6.0
161.09584	1.5
161.13264	15.0
165.12801	1.7
167.10674	13.8
171.11646	5.7
177.12767	11.3
189.12744	17.1
207.13806	100.0
208.14114	1.9
225.14839	16.1
231.05028	1.7
244.88342	0.9
269.98462	1.0
424.61600	1.0
450.09998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98173	1.0
53.03920	1.7
55.01863	2.8
55.05507	1.4
57.03440	1.5
57.24733	1.1
66.38200	1.1
67.05488	3.2
69.03425	8.4
69.07053	2.2
70.73650	3.5
71.04985	3.6
75.41608	1.4
77.21439	1.1
79.05503	1.7
81.03413	5.8
81.07038	5.6
85.02895	14.5
85.06536	2.6
86.09700	3.1
87.00811	6.6
91.05466	6.2
93.07048	8.1
95.04956	2.3
95.08589	2.6
97.02885	4.7
97.06534	2.7
98.20827	1.5
99.04458	7.7
105.01879	3.3
105.07018	14.3
107.08587	23.5
109.02888	6.3
109.06492	3.9
109.10152	5.4
113.54468	1.2
119.04883	2.2
119.08573	11.6
121.06507	6.7
121.10129	7.4
123.08102	1.2
127.03899	9.8
131.08569	6.2
133.06496	1.4
133.10078	2.4
135.11632	1.4
137.09596	12.4
143.08565	3.1
145.04922	3.4
145.10129	2.9
147.08037	3.6
147.11662	16.8
149.09607	18.5
149.13254	3.8
151.07419	1.2
155.10611	2.3
156.09348	2.1
159.02878	3.2
159.11635	6.2
161.09644	1.6
161.13255	16.1
165.12791	2.4
167.10667	15.1
171.11745	6.5
177.12701	11.2
189.12735	21.8
206.05653	1.2
207.13788	100.0
208.14169	2.4
225.14865	19.1
334.56372	1.2
356.54993	1.3
388.19370	1.3
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	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01845	3.2
55.05502	17.1
56.53259	2.2
56.96570	2.4
57.03431	2.8
57.07066	4.9
65.03909	3.6
67.05498	28.3
69.03414	6.5
69.07060	22.2
70.06572	3.4
71.04996	5.7
71.57253	2.8
79.05489	30.3
81.03410	6.1
81.07051	63.9
83.04973	7.7
83.08623	10.1
85.02895	7.0
91.05472	31.4
93.07037	52.0
95.04951	11.1
95.08603	81.4
97.06508	4.3
97.10152	3.9
98.97586	2.3
101.90450	2.0
103.05479	5.8
105.07026	86.4
107.04964	5.5
107.08589	61.6
109.06511	9.0
109.10143	36.1
111.08071	60.3
113.09723	2.4
117.07009	9.1
119.04939	2.0
119.08575	100.0
121.06501	6.0
121.10136	51.1
123.08047	4.2
123.11727	12.3
125.09619	4.1
129.07022	4.6
130.07819	3.2
131.08562	37.0
132.92795	2.1
133.10124	46.0
134.99657	2.6
135.08044	5.5
135.11690	24.4
137.06036	2.8
137.09622	4.7
137.13242	3.7
139.11229	3.7
142.07782	2.5
143.08563	10.3
144.09352	2.5
145.10115	56.1
147.04378	3.8
147.08066	3.7
147.11682	71.4
149.05904	2.2
149.09636	6.2
149.13246	45.3
151.11188	4.3
155.08540	3.7
157.10123	12.4
158.10777	2.0
159.11696	43.7
160.12180	3.3
161.09663	2.7
161.13251	48.5
162.13637	2.2
163.07533	3.2
163.11160	7.1
163.14824	21.5
165.12743	4.8
167.07001	2.2
169.10150	5.1
171.11668	9.0
173.13257	24.1
175.14819	38.2
177.16409	24.6
179.14243	3.7
183.11736	4.4
185.13252	8.6
187.14824	29.0
189.12773	6.4
189.16376	33.0
190.16708	2.4
191.14296	5.3
191.17957	9.7
193.15926	6.4
197.13319	4.7
199.14774	10.6
201.16377	38.4
203.14349	6.3
203.17972	29.6
205.15877	24.5
207.17445	18.3
209.13306	2.7
211.14827	5.1
213.16307	10.5
215.17984	14.1
217.15858	6.0
217.19473	5.7
219.17424	19.2
221.15311	3.2
221.18985	9.0
223.16899	12.3
225.16406	2.5
229.19315	2.1
231.17482	5.7
233.18971	6.0
236.09561	2.2
237.14777	2.9
241.19521	3.8
243.21080	4.0
245.19090	2.5
247.16901	6.2
251.16502	5.0
261.22229	4.8
263.36026	2.4
265.17886	3.6
267.21173	2.2
279.23297	2.2
282.74854	2.2
291.26788	7.2
367.30087	4.9
379.21225	2.4
381.22348	9.4
389.32025	3.1
395.33051	6.3
406.16220	2.4
407.33060	25.5
413.30493	11.4
425.34073	32.5
441.33618	2.7
453.19165	5.3
453.24915	2.8
453.33517	21.7
471.22021	40.6
471.34744	23.2
471.77438	2.6
472.22467	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	471.3468
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05499	4.4
56.96578	1.4
64.34385	1.2
64.77771	1.4
67.05485	6.6
69.07056	5.9
69.93399	8.1
77.78027	1.3
79.05476	4.3
81.07056	20.2
83.04958	2.6
83.08608	2.8
83.86675	1.2
91.05458	5.7
93.07037	14.8
95.05006	2.3
95.08600	24.7
97.10138	2.6
105.07030	23.6
107.08591	21.5
109.10151	14.8
119.08575	21.0
121.10140	13.2
123.08061	3.1
123.11714	3.2
131.08566	4.4
133.10123	18.4
135.11681	7.0
137.09604	2.4
143.08565	2.8
143.56322	1.3
145.10149	6.6
147.08133	1.8
147.11673	17.8
149.13217	6.8
152.94083	1.3
157.10133	6.1
159.11662	6.9
161.09610	1.4
161.13223	8.0
162.43272	1.2
163.11157	3.2
163.14798	4.9
165.12746	2.1
171.11673	4.0
173.13216	7.0
175.11282	1.8
175.14841	12.1
177.12773	2.0
177.16368	28.5
180.39326	1.5
183.11674	1.4
184.12468	1.7
185.13338	2.2
187.14777	7.8
189.16379	48.6
191.17952	1.9
201.16353	6.3
203.17914	16.5
205.15865	1.9
213.16422	10.3
215.17944	4.2
217.15826	2.7
221.15303	1.6
223.16965	1.8
229.15802	1.8
231.17415	12.2
243.17432	1.6
243.21107	2.3
247.17010	2.7
249.18520	15.8
252.42235	1.5
261.18454	2.6
383.80151	1.5
407.33072	6.6
416.91299	1.3
425.34125	100.0
426.34415	4.7
435.32632	5.0
453.33585	6.9
471.35126	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	471.3466
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05508	3.8
57.07081	1.2
61.02916	1.0
67.05495	6.6
69.03428	2.0
69.07069	6.3
71.58273	1.8
76.76271	0.9
79.05508	4.2
81.03434	2.4
81.07064	8.1
83.04985	3.8
83.08640	1.4
84.08168	0.9
85.02917	2.4
85.06575	1.1
91.05471	5.4
93.07037	9.6
93.42329	0.9
95.04961	2.4
95.08607	13.0
97.02929	1.5
97.06520	2.8
97.10188	1.6
103.05453	1.0
105.07028	13.0
107.08598	16.9
108.86552	1.2
109.06499	1.1
109.10167	8.8
111.08133	1.5
119.08580	15.1
121.06528	1.4
121.10136	9.2
123.08092	1.9
123.11721	3.6
124.75094	1.1
125.09677	1.4
129.07027	1.7
131.08551	4.7
133.10121	11.2
135.11659	8.7
137.13271	1.7
141.06812	1.1
143.08582	2.4
145.10117	5.8
147.08018	1.4
147.11697	6.0
149.09619	1.4
149.13240	2.6
153.09119	1.2
155.08511	1.8
157.10144	3.9
158.00665	1.0
159.11703	2.1
161.09619	3.8
161.13295	4.4
163.11227	1.4
163.14868	2.2
169.10124	1.9
171.11737	2.0
173.13269	5.3
175.14816	9.6
177.16411	4.7
179.14345	1.0
185.13249	2.4
187.14851	5.1
189.16388	22.4
189.89995	1.2
191.17978	3.0
197.13258	3.1
199.14850	4.5
201.16461	2.1
203.14253	1.2
203.17955	2.0
205.15918	2.0
207.17505	2.4
211.14856	1.5
213.16469	3.3
215.14398	2.5
217.15880	11.1
227.17947	2.2
229.15945	1.1
235.16905	6.6
241.19536	1.3
243.21066	1.6
249.18558	2.0
253.19498	3.8
271.20581	5.7
283.47226	1.1
299.20459	1.3
351.55188	1.1
407.33105	3.1
425.34137	20.5
425.39423	1.7
435.32318	1.6
453.33624	3.3
471.34738	100.0
472.35168	5.4
472.43585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Lantic acid
Peak:m/z	Relative Intensity
51.51183	0.4
53.03924	0.4
55.01847	0.4
55.05494	2.9
57.07055	1.3
62.76757	0.5
65.96038	0.4
67.05499	4.8
69.03403	1.0
69.07055	4.3
69.64736	2.8
79.05479	2.5
81.07048	9.2
83.04973	4.0
83.08604	1.6
85.02905	0.5
91.05466	3.6
93.07030	6.8
95.04942	1.8
95.07974	0.8
95.08590	13.4
97.06516	2.0
97.10172	1.0
103.05480	0.5
105.06311	0.5
105.07016	10.6
107.08583	13.3
109.06506	1.5
109.10143	6.5
111.08070	0.9
117.06989	0.6
119.08563	12.1
121.06462	1.2
121.10125	7.4
123.08028	1.4
123.11701	3.3
125.09628	0.6
127.03858	0.5
128.06294	0.5
129.06998	1.4
131.08507	2.5
133.06560	0.6
133.10118	7.9
135.08038	0.9
135.11668	8.6
137.09624	0.7
137.13226	1.1
139.11107	0.9
141.06944	0.8
143.08549	3.1
143.75055	0.4
145.06451	0.8
145.10106	4.0
147.08086	1.1
147.11656	3.4
149.09621	1.7
149.13229	2.9
151.11128	0.7
153.09087	1.3
153.12704	0.6
155.08513	1.6
157.10098	3.3
159.08044	1.1
159.11658	3.2
161.09622	2.9
161.13239	3.8
163.11159	0.8
163.14793	2.0
165.09090	0.7
167.10628	0.5
169.10132	1.4
171.11674	2.1
173.09613	0.8
173.13229	4.3
175.11159	2.1
175.14807	10.1
177.16347	2.7
179.14406	0.7
182.10884	0.7
183.11681	1.5
185.13278	1.0
187.11076	0.7
187.14783	4.4
189.12750	1.2
189.16371	19.4
191.17966	2.0
197.13290	3.3
199.14824	4.3
201.12804	0.8
201.16345	1.8
207.17386	1.6
209.13315	0.6
211.14771	1.6
213.16367	2.2
215.14348	2.6
215.17908	1.1
217.15849	10.2
227.17989	1.5
229.15787	0.9
229.19574	1.1
231.17419	0.7
235.16858	8.1
241.19394	0.8
243.17407	0.5
243.21223	0.6
245.19025	0.8
253.19458	2.9
255.21007	0.5
257.19040	1.2
261.14807	0.6
267.21240	0.6
271.20514	7.0
273.22079	0.7
285.22055	1.0
299.20175	0.6
317.21121	1.7
389.32187	1.0
407.32953	2.7
425.34125	12.0
426.34427	0.8
435.32394	1.1
453.33624	1.1
471.34671	100.0
472.35022	6.0
495.89975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.03439	8.9
57.07068	2.0
58.90129	1.6
62.26944	1.7
65.58659	1.3
67.05170	2.9
67.05499	32.1
69.07069	21.7
79.05493	9.4
81.07051	29.7
83.08613	9.2
91.05484	6.3
93.07053	11.6
95.04980	1.5
95.08601	23.3
97.06505	1.9
97.10139	3.0
105.07021	6.2
107.08578	6.3
109.10151	8.0
119.08569	5.4
121.10148	3.3
123.11710	3.2
131.08533	2.0
133.03516	1.6
133.10129	3.0
134.98178	100.0
135.11697	1.9
145.10127	2.4
147.11742	2.1
147.82475	1.5
152.99258	3.8
159.11702	1.9
170.99046	2.7
176.00836	4.4
185.65710	1.5
189.00133	6.0
209.01891	2.2
227.01541	3.7
321.22818	2.3
337.27377	40.7
359.25552	12.5
453.22882	1.9
471.24811	51.9
471.34937	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	471.3464
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
51.24681	1.3
53.80157	1.6
55.05507	8.5
61.01163	1.7
67.05503	9.0
69.07069	10.7
69.38927	9.1
69.39353	6.8
72.65656	1.4
79.05479	9.7
81.03409	2.8
81.07050	21.0
83.04980	1.8
83.08618	4.5
85.02885	2.0
91.05470	7.3
93.07037	15.4
94.89952	1.6
95.04956	3.0
95.08603	27.8
97.10181	1.8
105.07021	26.7
106.38331	1.5
107.08591	25.2
109.06514	3.3
109.10150	15.9
111.08060	3.4
117.07093	3.2
119.08569	29.1
121.06522	2.8
121.10136	18.9
123.08055	5.2
123.11697	5.0
129.07016	2.2
131.08571	8.6
133.10115	26.4
135.08092	1.8
135.11673	7.5
143.08540	3.5
145.10100	13.2
147.11678	24.2
149.13240	12.8
157.10117	6.7
159.11745	10.5
161.13272	9.7
163.14854	9.3
165.12799	2.2
171.11687	5.0
173.13206	7.3
175.14806	17.8
177.16394	20.3
185.13272	4.3
187.14813	17.7
189.16377	26.6
193.16003	1.9
199.14812	3.3
201.16353	16.6
203.14313	6.1
203.17953	14.4
205.15881	17.2
207.17563	2.7
211.14865	2.2
213.16298	7.3
215.17975	3.8
219.17435	3.9
221.15305	3.8
227.17960	2.3
229.19629	2.0
231.17491	7.6
235.16971	2.2
241.19487	2.7
247.17088	2.2
249.14859	2.2
249.18434	7.7
255.21089	2.4
261.18661	2.0
299.21536	1.8
329.24600	2.6
338.96570	1.8
344.33084	1.7
355.26187	3.8
367.29779	2.1
389.32266	2.6
395.29587	1.8
407.33115	10.4
423.32413	1.8
425.34125	100.0
426.34418	6.3
435.32401	3.7
453.33417	7.1
471.34698	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	471.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05502	1.3
56.44056	0.4
57.07066	0.5
67.05502	3.0
69.03422	1.4
69.07047	1.5
69.57515	2.9
71.04981	0.5
79.05485	2.9
80.05815	0.5
80.92270	0.3
81.03406	2.6
81.07054	2.8
83.04967	1.1
83.08612	0.5
85.02883	1.1
85.06520	1.7
87.00798	0.4
91.05466	1.8
93.07047	3.5
95.04965	1.1
95.08611	3.8
97.02902	0.9
97.06537	0.6
103.05431	2.0
104.05817	0.9
105.07023	3.7
107.04938	1.3
107.08605	3.0
109.06503	0.9
109.10139	2.6
111.08059	1.3
119.04929	0.7
119.08574	2.8
121.06526	1.2
121.10143	3.7
123.08033	0.6
123.11723	0.5
125.09640	0.7
127.03889	0.8
131.04918	0.5
131.08578	1.0
133.10110	1.8
135.08055	0.5
135.11668	1.0
137.05977	0.5
137.09615	1.1
139.07518	0.7
145.10072	1.7
147.04388	0.9
147.11630	1.9
149.09631	1.1
149.13263	0.7
157.10123	0.7
159.11665	1.1
161.13226	1.2
163.11150	0.7
163.14877	0.6
165.12767	2.1
173.13274	0.7
175.14879	1.0
185.13206	0.5
187.14842	0.7
189.16425	0.5
191.17961	0.5
201.16333	0.5
203.05206	0.9
203.17992	0.6
205.15738	0.7
213.16370	0.5
223.16908	15.4
230.15425	0.5
231.15701	0.4
259.08047	0.4
271.13889	0.6
284.34271	0.4
309.16772	1.4
365.51645	0.6
379.20956	1.5
381.22491	4.1
409.25974	0.7
425.34055	1.0
427.22574	0.5
453.24673	2.7
464.36310	0.4
471.21985	100.0
472.22241	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03931	3.3
55.01850	1.6
55.05511	11.4
57.03408	1.9
57.07058	3.6
61.02935	1.8
67.05504	20.7
69.03420	9.6
69.07062	18.9
69.83715	1.4
70.06567	2.5
70.37714	1.4
70.86777	3.5
71.04983	5.4
73.02918	1.8
79.05485	15.7
81.03396	7.0
81.06582	2.8
81.07051	42.7
83.04977	4.1
83.08604	7.7
85.02913	9.3
87.00820	2.9
91.05479	19.9
93.07033	33.2
95.04947	6.9
95.08604	57.4
97.02887	5.0
97.06498	3.3
97.10155	6.4
99.04457	1.9
105.01842	1.9
105.07026	55.4
107.08593	43.0
109.02859	4.1
109.06512	3.2
109.09467	3.2
109.10155	38.4
111.04429	2.4
115.03906	2.4
116.98528	1.8
117.07005	7.6
119.08575	50.7
120.08079	1.7
121.06521	3.7
121.10132	39.9
123.04412	4.3
123.08064	1.9
123.11697	19.5
127.03854	5.0
129.01791	1.8
129.06985	2.7
131.08566	29.8
133.10114	41.4
135.08025	2.4
135.11687	30.5
137.05913	3.4
137.09633	2.3
137.13277	11.4
141.40266	1.8
142.07748	2.4
143.08556	9.8
144.09323	2.6
145.06464	2.9
145.09041	3.0
145.10112	35.8
147.02795	2.2
147.11684	37.0
149.09627	2.9
149.13249	20.8
155.08572	2.6
157.10123	10.8
158.10899	4.6
159.02805	2.0
159.08063	2.7
159.11674	42.4
161.13249	25.0
163.01752	1.7
163.11157	2.1
163.14810	11.9
169.10097	4.0
171.11673	5.5
173.13252	58.4
175.11142	2.0
175.14835	12.2
177.05457	3.6
177.09091	2.5
177.12679	4.2
177.16350	4.6
183.07710	1.8
183.11629	3.8
185.13216	6.7
187.11238	3.0
187.14807	100.0
189.16368	18.8
191.10645	5.8
191.14284	6.0
191.17940	86.9
193.12241	2.3
197.13365	3.7
199.14824	6.4
201.12663	3.2
201.16364	7.2
203.17935	33.0
205.12270	3.6
205.15858	12.0
205.19447	10.5
207.11880	2.4
207.13757	3.6
209.11557	2.2
213.16235	2.5
215.14290	3.5
215.17737	2.8
217.19499	15.9
219.13808	16.3
219.17291	1.9
221.15346	1.9
225.16298	2.5
227.17903	3.5
231.13809	7.1
233.15340	63.1
233.51137	1.7
235.17006	1.6
241.19443	3.4
245.15269	4.2
245.22585	3.8
247.16933	2.1
251.12860	2.6
261.14920	2.8
265.14264	4.9
279.15891	19.5
281.05499	1.8
291.15875	2.6
311.19812	2.8
319.18857	2.3
344.50275	2.2
404.04242	1.7
423.32486	4.8
469.18909	2.0
469.33170	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	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01850	1.6
55.05511	11.4
57.03408	1.9
57.07058	3.6
61.02935	1.8
67.05504	20.7
69.03420	9.6
69.07062	18.9
69.83715	1.4
70.06567	2.5
70.37714	1.4
70.86777	3.5
71.04983	5.4
73.02918	1.8
79.05485	15.7
81.03396	7.0
81.06582	2.8
81.07051	42.7
83.04977	4.1
83.08604	7.7
85.02913	9.3
87.00820	2.9
91.05479	19.9
93.07033	33.2
95.04947	6.9
95.08604	57.4
97.02887	5.0
97.06498	3.3
97.10155	6.4
99.04457	1.9
105.01842	1.9
105.07026	55.4
107.08593	43.0
109.02859	4.1
109.06512	3.2
109.09467	3.2
109.10155	38.4
111.04429	2.4
115.03906	2.4
116.98528	1.8
117.07005	7.6
119.08575	50.7
120.08079	1.7
121.06521	3.7
121.10132	39.9
123.04412	4.3
123.08064	1.9
123.11697	19.5
127.03854	5.0
129.01791	1.8
129.06985	2.7
131.08566	29.8
133.10114	41.4
135.08025	2.4
135.11687	30.5
137.05913	3.4
137.09633	2.3
137.13277	11.4
141.40266	1.8
142.07748	2.4
143.08556	9.8
144.09323	2.6
145.06464	2.9
145.09041	3.0
145.10112	35.8
147.02795	2.2
147.11684	37.0
149.09627	2.9
149.13249	20.8
155.08572	2.6
157.10123	10.8
158.10899	4.6
159.02805	2.0
159.08063	2.7
159.11674	42.4
161.13249	25.0
163.01752	1.7
163.11157	2.1
163.14810	11.9
169.10097	4.0
171.11673	5.5
173.13252	58.4
175.11142	2.0
175.14835	12.2
177.05457	3.6
177.09091	2.5
177.12679	4.2
177.16350	4.6
183.07710	1.8
183.11629	3.8
185.13216	6.7
187.11238	3.0
187.14807	100.0
189.16368	18.8
191.10645	5.8
191.14284	6.0
191.17940	86.9
193.12241	2.3
197.13365	3.7
199.14824	6.4
201.12663	3.2
201.16364	7.2
203.17935	33.0
205.12270	3.6
205.15858	12.0
205.19447	10.5
207.11880	2.4
207.13757	3.6
209.11557	2.2
213.16235	2.5
215.14290	3.5
215.17737	2.8
217.19499	15.9
219.13808	16.3
219.17291	1.9
221.15346	1.9
225.16298	2.5
227.17903	3.5
231.13809	7.1
233.15340	63.1
233.51137	1.7
235.17006	1.6
241.19443	3.4
245.15269	4.2
245.22585	3.8
247.16933	2.1
251.12860	2.6
261.14920	2.8
265.14264	4.9
279.15891	19.5
281.05499	1.8
291.15875	2.6
311.19812	2.8
319.18857	2.3
344.50275	2.2
404.04242	1.7
423.32486	4.8
469.18909	2.0
469.33170	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	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.1
53.03932	2.0
55.05509	10.6
56.11398	1.1
57.03436	2.2
57.07072	4.9
58.32060	1.0
62.41302	1.0
65.03922	1.6
67.05510	14.8
69.03405	2.2
69.06726	1.9
69.07067	20.3
70.06577	1.9
71.57646	1.3
79.05492	11.4
81.03415	2.1
81.06583	1.9
81.07052	35.6
82.07417	1.3
83.04970	1.8
83.08620	6.9
85.02891	4.1
85.30876	1.1
87.04451	1.5
91.05476	15.7
93.07040	28.1
95.04966	3.5
95.08601	48.9
97.02901	1.9
97.06519	1.8
97.10178	3.3
105.07024	47.6
107.08595	39.1
109.02869	1.2
109.06510	3.7
109.09468	1.9
109.10152	28.3
111.08066	1.5
117.07013	7.2
119.04906	1.2
119.08576	40.2
121.06529	1.9
121.10136	32.7
123.11687	16.6
125.09621	1.4
127.03933	2.7
128.06157	1.3
129.06981	1.8
130.07782	1.9
131.08560	30.5
133.10124	33.0
133.50067	1.1
135.08035	1.4
135.11671	25.0
137.06004	1.9
137.09680	1.1
137.13249	6.5
138.88925	1.2
142.07773	1.5
143.08554	5.6
144.09238	1.7
145.02803	1.9
145.10114	34.5
147.04385	1.5
147.10493	1.9
147.11678	31.5
149.05971	4.6
149.09596	1.3
149.13249	19.2
155.08546	2.5
157.10100	6.5
158.10922	5.2
159.08009	2.1
159.11676	40.5
161.09616	1.2
161.13249	24.6
163.11130	2.6
163.14795	7.0
165.09189	1.7
165.12799	1.3
171.11673	3.8
173.13260	55.1
175.11240	1.6
175.14818	12.4
177.05397	1.4
177.09163	2.8
177.12703	1.8
177.16397	5.4
185.13257	6.7
187.14812	100.0
188.15175	1.4
189.16367	19.3
191.10793	1.4
191.14287	4.6
191.17938	75.1
193.12338	1.5
197.13153	2.7
199.14745	5.4
201.12794	6.2
201.16338	3.5
203.17950	32.6
205.12225	3.3
205.15846	10.9
205.19514	11.8
207.13834	2.7
211.14752	2.2
213.16302	1.8
215.14323	5.5
217.16109	1.5
217.19521	14.8
219.13782	16.6
219.21080	1.6
221.15303	1.4
225.16403	2.8
231.13809	3.9
231.21227	1.9
233.15355	54.2
237.11139	1.5
245.15387	2.7
245.22607	4.7
251.12636	2.0
251.16478	1.5
252.12292	2.6
261.14838	2.9
265.14365	5.1
271.16800	1.3
277.14307	1.8
279.15906	16.6
291.15851	2.7
371.23026	1.2
385.24158	1.4
391.22983	1.5
423.32614	9.9
451.32184	1.8
469.33243	31.3
470.19589	1.8
470.33289	1.8
490.85165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3309
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03941	0.9
55.05515	3.1
57.07058	0.8
58.38140	0.5
64.55329	0.4
65.03916	0.5
67.05504	3.7
69.03400	0.7
69.07060	3.1
69.17487	0.5
77.03925	0.6
79.05493	4.4
81.07055	9.0
83.04974	1.1
83.08604	1.8
91.05481	3.4
93.07032	10.3
95.04952	1.7
95.08611	11.9
96.19156	0.4
97.06532	0.7
98.21507	1.6
105.06302	0.8
105.07027	17.5
107.08588	13.5
109.06494	1.4
109.10149	5.3
111.08054	0.9
112.07608	1.8
117.07000	1.2
119.08585	16.6
120.08874	0.5
121.06483	0.8
121.10136	8.0
123.08054	1.2
123.11706	2.0
128.06169	0.5
129.07045	0.7
131.08557	5.6
133.10138	10.3
135.08067	1.5
135.11671	4.1
141.07001	0.7
143.08517	4.0
145.10120	7.8
145.11160	1.0
147.08067	1.5
147.11684	14.0
149.09660	1.0
149.13240	5.2
153.09053	1.5
155.08478	1.2
157.10127	3.9
159.08109	0.5
159.11707	5.4
161.09630	1.5
161.13232	4.8
163.14799	3.0
165.12680	0.8
169.10149	1.3
171.11716	3.1
173.09680	0.7
173.13254	4.8
175.11159	1.2
175.14812	8.5
177.12769	0.8
177.16313	2.4
183.11670	1.4
184.12459	0.5
185.13274	1.7
187.14819	5.5
189.12752	1.8
189.16376	20.2
191.14293	0.9
191.17934	1.1
195.11635	1.1
196.12334	0.6
197.13342	2.4
199.14804	6.2
201.16327	2.7
203.14288	1.0
205.15862	3.1
207.17406	1.9
209.13293	0.7
211.14851	1.5
213.16356	2.0
215.14252	2.6
215.17902	0.8
217.15874	8.8
219.13765	1.0
221.13332	0.6
225.16418	1.2
227.17924	1.8
229.15979	0.8
229.19510	0.9
231.17438	0.9
233.15361	4.1
235.16997	3.3
239.17960	1.1
241.19504	2.2
243.17380	0.8
253.19510	2.1
257.18939	1.2
265.19516	0.7
267.21060	0.9
271.20569	1.1
273.18582	1.1
299.20071	0.6
309.22162	0.6
347.27249	1.4
365.28632	0.6
387.30597	1.4
393.31882	2.3
405.31503	4.3
423.32547	11.9
433.31189	1.8
439.32108	3.4
451.31989	10.3
469.33127	100.0
470.33401	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	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.90316	2.3
53.03932	3.0
55.05503	6.5
59.09645	2.2
59.15167	2.2
60.66793	3.0
61.10847	2.5
62.28088	2.8
67.05508	12.6
69.07072	12.6
69.67624	20.2
79.05472	12.5
81.07053	30.2
83.08649	5.2
91.05486	14.4
93.07045	26.4
93.98551	2.9
95.08604	55.7
105.07023	34.1
107.08591	41.8
107.91364	2.5
109.06502	3.2
109.10162	22.5
111.08070	3.1
117.07037	5.6
119.08569	65.4
121.06505	3.4
121.10128	31.0
123.08074	4.5
123.11707	13.4
129.06984	3.1
129.88289	2.8
131.08562	22.2
133.10118	40.0
135.11661	17.6
137.13228	3.4
143.08569	5.2
145.10114	32.8
147.08127	4.4
147.11682	33.2
149.05988	2.8
149.09558	3.0
149.13266	11.5
156.09164	2.7
157.10133	7.0
159.11687	19.4
161.13252	33.7
163.14806	12.4
165.09163	3.5
169.10132	3.9
171.11670	3.7
173.13229	17.0
175.14824	26.4
177.16414	11.9
185.13257	5.2
187.14810	55.9
188.14944	2.9
189.16370	77.2
191.17921	4.8
199.14893	5.4
201.16354	26.6
203.17955	20.6
213.16293	6.4
215.14275	4.1
217.15948	6.1
221.15344	6.3
227.18056	3.9
229.15862	3.7
231.17395	3.3
233.15431	6.3
235.16841	14.1
247.16943	6.0
249.18437	3.4
296.44962	3.1
377.32153	3.2
405.31607	14.1
423.32559	100.0
424.32776	4.1
451.31967	3.6
469.33420	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31324	1.9
55.05500	8.0
58.61084	1.8
67.05492	16.6
68.11842	2.0
69.07053	8.7
70.78191	4.3
70.78589	4.4
79.05488	10.7
81.07052	32.4
83.08611	6.2
85.02901	3.9
85.06519	2.1
89.02420	1.9
91.05469	13.7
93.07024	25.1
95.04974	4.3
95.08599	47.5
97.10152	3.9
105.07017	34.5
105.33612	2.0
107.08587	28.7
109.06494	2.6
109.10165	20.6
111.07994	2.3
117.07011	4.1
119.08577	45.4
121.10130	27.2
123.11694	8.0
131.08572	18.4
133.10117	33.2
135.08025	2.7
135.11659	10.3
137.53976	1.9
138.32274	1.8
143.08539	4.3
145.10118	25.5
147.08049	2.4
147.11687	24.9
149.05981	3.5
149.13277	13.4
157.10138	6.1
159.11633	18.7
161.09688	2.7
161.13258	18.2
163.11215	3.4
163.14812	15.2
171.11655	3.7
173.13246	23.1
175.14828	28.2
177.16388	12.3
179.10707	2.6
183.11746	2.9
185.13248	3.3
187.14792	31.2
189.16374	43.2
191.14236	3.1
191.17870	3.9
193.63406	2.1
199.14758	5.2
201.12724	3.2
201.16353	18.7
203.14316	3.7
203.17941	34.1
215.14311	2.1
217.15816	2.9
219.13710	3.3
221.15410	6.1
227.18040	3.0
229.15889	2.6
235.16928	6.8
237.16164	2.3
247.16992	6.1
249.18443	4.8
267.21136	2.0
273.18527	2.4
343.20160	4.0
349.29639	2.1
377.32083	3.3
395.33005	3.4
405.31775	11.1
416.57339	2.1
423.32553	100.0
424.32892	3.3
451.31903	6.1
469.31894	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	469.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47262	4.5
53.03934	5.9
55.01870	9.9
55.05504	31.2
55.78727	3.9
57.03420	6.6
57.07055	11.2
61.02912	9.2
67.05495	39.1
68.99763	16.6
69.03423	39.3
69.04211	4.2
69.07066	27.8
69.52072	11.4
69.52477	33.4
71.01350	6.0
71.04980	32.7
73.02908	9.6
79.05488	38.5
81.03412	45.6
81.06581	7.3
81.07053	100.0
83.04952	13.6
83.08609	16.7
85.02905	55.6
87.00817	38.0
87.04501	5.9
91.05477	38.8
93.07041	73.6
95.04969	28.8
95.08603	81.4
97.02882	32.0
97.06489	8.6
97.10140	9.4
97.59438	4.9
99.04449	11.0
99.08122	6.4
103.03924	13.7
105.01835	14.2
105.07029	72.5
107.04932	8.5
107.08596	67.9
109.02882	24.0
109.06508	14.8
109.10153	55.5
111.04436	12.4
111.08059	5.3
111.55447	5.0
115.03928	17.6
117.07006	14.1
119.08567	75.1
121.06478	17.6
121.10127	64.9
123.04411	14.2
123.08051	11.3
123.11661	27.0
127.03875	15.4
127.11205	30.6
129.01808	13.0
129.06976	11.9
131.08572	37.8
133.06470	5.0
133.10114	54.8
135.08031	9.2
135.11693	39.9
137.05977	9.1
137.09616	9.1
137.13268	13.8
139.07483	6.4
141.06934	7.7
142.05264	5.0
142.07742	10.0
143.08533	29.8
145.06508	7.3
145.10120	51.8
147.02866	8.5
147.07991	10.2
147.11658	32.3
149.06065	6.3
149.09605	9.5
149.13284	23.4
151.11188	6.1
153.12685	5.1
155.08551	17.1
157.06514	5.8
157.10115	25.5
159.02827	9.6
159.08055	7.5
159.11696	67.9
161.09743	8.9
161.13251	20.1
163.07397	5.0
163.11133	6.3
163.14799	9.1
167.08556	7.6
167.73654	5.2
169.10123	12.8
170.31119	5.3
171.07985	7.9
171.11728	21.7
173.09634	8.6
173.13231	26.7
175.07497	5.6
175.11179	9.8
175.14838	16.2
177.09122	7.3
177.12764	9.2
183.11707	14.3
185.09602	5.7
185.13264	13.4
187.11182	5.3
187.14845	29.0
189.03860	5.5
189.12758	9.0
189.16393	29.5
191.17955	21.7
195.11699	8.9
197.13240	14.0
199.14912	8.4
201.12732	8.1
201.16344	22.2
203.17915	27.3
205.15845	7.4
205.19449	8.4
211.14778	6.0
213.16313	10.9
215.14282	6.6
215.17892	7.0
217.19513	6.1
219.13786	5.9
219.17383	10.0
221.18918	9.4
225.12749	14.2
227.17883	8.9
231.13591	5.4
233.15350	14.2
233.18977	8.2
239.17970	9.8
241.15938	7.5
243.13806	10.4
243.17445	7.2
245.19153	10.4
261.18515	6.5
263.20090	5.8
269.19077	4.9
293.19025	9.6
311.19940	20.2
329.21045	21.5
347.22235	6.2
365.15738	7.3
415.20966	7.0
433.21860	12.7
451.23276	22.7
469.24161	13.4
469.32895	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	469.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
53.81339	6.7
54.56743	5.4
55.01863	19.5
55.05506	32.8
57.03409	11.4
57.07071	8.3
59.04990	6.0
61.02917	15.4
65.03941	6.0
67.05507	27.6
68.99779	15.5
69.03428	67.9
69.07072	27.0
69.43998	26.4
69.44431	23.0
71.04993	53.5
75.81899	5.5
79.05493	31.1
81.03412	52.5
81.07058	100.0
83.04974	24.1
83.08598	12.4
85.02905	71.6
87.00819	36.4
87.04462	7.1
91.05477	44.4
93.07043	84.1
93.74463	7.5
95.04971	36.7
95.08606	67.0
97.02898	39.6
97.06524	19.5
98.21477	10.9
99.04438	7.9
99.08052	5.7
103.03923	9.8
103.05402	5.7
105.01836	13.0
105.07027	97.0
107.04952	12.2
107.08578	64.8
109.02876	11.6
109.06495	22.0
109.10157	53.3
111.04433	10.0
111.08057	7.5
111.11710	6.0
115.03909	11.8
117.01792	5.7
117.06998	19.4
119.08572	81.9
121.06485	13.0
121.10158	56.2
123.04427	19.0
123.08045	17.5
123.11691	35.2
125.09622	14.0
127.03928	22.6
127.11191	25.3
129.01816	15.5
129.06970	14.2
131.08588	38.5
133.10126	74.6
135.08015	8.0
135.11705	45.1
137.05920	8.8
137.09630	8.7
137.13246	9.1
141.05415	10.4
141.06952	9.2
142.07758	10.4
143.08521	31.0
145.06477	9.7
145.10103	55.2
147.02888	15.5
147.08026	18.5
147.11668	54.9
149.09592	7.7
149.13255	26.0
151.11177	12.6
153.12724	9.0
155.08589	7.1
157.10168	34.6
159.02876	13.6
159.08087	12.5
159.11679	70.3
161.09619	13.8
161.13243	39.2
163.07558	7.4
163.14799	6.2
169.10112	6.9
171.08041	12.3
171.11659	23.6
173.09621	13.6
173.13272	22.5
175.11168	15.1
175.14751	15.0
177.12744	7.5
181.10098	14.9
181.15868	6.2
183.11725	13.6
185.09651	8.6
185.13185	17.6
187.11131	6.2
187.14835	19.8
189.03929	8.7
189.09140	8.2
189.12662	8.8
189.16386	37.9
191.14401	9.7
191.17760	8.0
193.15732	8.4
197.13255	12.0
199.11119	6.8
199.14702	7.9
201.12834	6.8
201.16367	26.0
203.14270	23.8
203.17928	23.5
205.15800	8.0
207.11742	9.4
213.12737	8.1
213.16335	10.9
219.17365	7.5
221.15308	18.6
223.14728	9.3
225.12743	24.8
227.17896	15.1
231.17401	8.7
241.15903	14.8
243.17436	6.8
245.18953	14.0
257.18991	7.8
308.52496	6.9
311.19962	25.9
329.21075	13.5
415.20789	9.0
433.22266	11.4
451.22971	18.7
469.24316	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
53.22829	4.1
55.01869	20.1
55.05507	46.6
57.03426	11.4
57.07067	6.4
60.08147	5.1
61.02913	14.5
62.17383	3.5
65.03918	6.2
67.05500	36.9
68.70148	4.6
68.99770	6.0
69.03427	67.2
69.07069	32.9
70.06589	5.1
71.04990	37.1
71.56875	3.8
71.57263	4.6
73.02887	9.6
79.05492	44.2
81.03418	49.4
81.07059	100.0
83.04968	22.9
83.08617	9.9
85.02908	78.6
85.06548	7.5
86.09699	13.8
87.00835	32.0
87.10039	4.5
91.05476	42.6
93.07048	66.3
95.04967	32.1
95.08600	57.2
97.02897	37.9
97.06509	11.4
97.10151	7.8
99.04430	12.8
103.03944	8.5
103.05452	5.4
104.10725	17.4
105.01853	15.1
105.07029	79.8
105.11063	4.6
107.04932	9.9
107.08592	60.5
109.02863	27.7
109.06512	24.5
109.10159	56.7
111.04419	12.2
111.08071	8.4
115.03903	9.9
117.06998	13.3
119.08582	94.4
120.08133	8.2
121.06509	20.2
121.10146	54.9
123.04451	12.5
123.08033	17.0
123.11673	23.6
124.99998	6.8
125.09637	10.4
127.03930	39.0
127.11188	25.8
128.06256	5.2
129.05553	5.1
129.06993	11.9
131.08569	35.1
133.06525	8.1
133.10123	83.0
135.08057	12.2
135.11693	41.8
137.05971	14.7
137.09599	8.0
139.07556	4.2
142.07739	8.9
143.08542	20.0
144.09279	6.2
145.04950	10.4
145.06520	5.1
145.10141	47.5
147.02876	4.9
147.08070	43.6
147.11678	40.7
149.09599	9.0
149.13255	13.2
153.12718	14.0
155.08546	12.0
157.10121	23.5
159.02878	15.2
159.08035	6.1
159.11700	57.5
161.09636	20.4
161.13251	79.9
163.07498	6.8
163.11154	5.7
165.09116	9.3
169.10161	13.5
170.10869	7.9
171.02814	4.3
171.08124	4.6
171.11662	18.1
173.09586	10.3
173.13222	16.2
175.11163	13.2
175.14816	36.2
177.16382	7.2
179.14249	4.2
181.10057	5.3
183.11694	16.1
184.07310	19.9
185.13258	20.4
186.75064	4.2
187.11197	7.0
187.14844	6.4
188.11871	5.8
189.03952	7.2
189.16364	13.5
191.14284	5.2
192.09277	5.9
195.11734	5.2
195.17406	6.4
197.13263	9.0
199.14749	8.3
201.12834	8.3
201.16370	17.9
203.14285	64.4
203.17911	14.3
207.11696	8.4
213.12563	4.8
213.16296	5.3
213.92378	4.1
215.17963	8.9
219.17409	7.9
221.15356	38.3
221.18927	6.5
222.15939	4.0
225.12752	12.8
227.14383	4.3
227.17935	5.9
243.13870	10.0
243.17287	5.4
243.60439	4.9
245.19006	9.6
257.19055	6.6
311.19894	12.8
329.20969	6.9
351.92838	4.2
433.22040	7.9
451.22977	10.6
453.01337	4.9
469.24301	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	469.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
55.01868	11.0
55.05506	20.4
57.03423	3.6
61.02917	9.3
67.05502	29.4
69.03426	23.3
69.07063	26.0
69.39842	10.4
69.40261	28.5
71.04987	6.6
73.02880	3.9
76.62840	3.6
79.05486	23.3
81.03408	29.0
81.07050	56.1
83.04965	33.9
83.08605	12.5
85.02897	40.9
85.06503	3.6
86.09689	5.1
87.00821	16.5
91.05463	46.4
93.07037	100.0
95.04955	19.2
95.08594	39.8
97.02880	18.5
97.06518	5.6
99.04433	5.9
104.20325	3.9
105.01849	8.1
105.07029	54.0
107.04967	6.4
107.08585	42.1
109.02883	16.3
109.06501	13.9
109.10156	46.1
109.62685	3.6
111.04393	4.1
111.08064	29.2
115.03905	5.4
117.06999	10.1
119.08583	44.8
121.06480	4.7
121.10144	38.5
123.08105	6.7
123.11726	10.2
127.03903	17.6
127.49127	4.3
129.01851	4.8
131.08575	19.9
133.10109	31.7
135.08002	9.2
135.11671	18.4
137.05969	6.4
137.09592	9.1
137.13226	6.3
142.07733	5.7
143.08542	9.3
144.49635	4.4
145.04935	7.4
145.10132	23.9
147.08055	5.6
147.11667	39.2
149.09659	9.2
149.13226	8.4
151.07538	6.5
153.09067	5.2
153.12674	4.5
157.10121	8.2
159.02934	5.0
159.11641	19.6
161.13258	18.8
163.11189	6.6
163.14810	8.3
165.12749	5.6
169.10194	3.9
171.11693	10.7
173.09605	5.9
173.13290	14.6
175.11171	6.3
175.14827	11.5
177.05392	4.7
183.11671	6.7
187.11267	4.8
187.14857	11.9
189.16383	12.2
191.17870	6.3
199.14757	5.8
201.16428	9.6
203.17972	25.8
215.17972	5.7
219.17325	6.7
221.19006	6.6
231.04993	5.2
245.18987	5.2
311.19843	8.7
423.32623	10.4
433.22296	7.9
469.23969	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	469.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.0
55.76965	2.1
57.03431	4.5
67.05497	31.0
69.07056	7.7
71.58116	4.0
79.05490	18.1
81.07054	28.7
83.08628	4.4
86.91357	2.2
91.05479	11.5
92.45450	2.0
93.07054	14.2
95.04926	3.1
95.08603	22.7
105.07017	4.1
107.08584	8.7
109.10168	6.3
117.07072	2.2
119.08582	6.7
121.10149	5.1
123.11686	3.6
133.10091	4.2
134.98184	100.0
143.57695	2.2
147.11613	2.3
152.99217	2.4
154.68791	2.1
170.99063	3.3
174.98575	2.1
176.00739	2.7
184.07262	3.5
189.00085	5.0
209.01958	4.8
227.01747	6.8
281.28043	2.2
335.25784	41.9
357.23993	16.0
437.20233	3.0
469.23230	79.8
469.33057	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	468.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
58.06609	0.5
60.08160	6.4
67.05489	0.4
69.03432	0.3
69.07054	0.4
69.42599	1.7
70.06595	0.8
71.07367	2.7
72.08145	0.2
79.05482	0.5
81.07050	1.5
83.08615	0.3
85.02888	0.3
86.09702	30.9
87.10029	0.3
91.05473	0.5
93.07033	0.2
94.06561	0.3
94.07365	0.2
95.04949	0.3
95.08606	0.7
97.02931	0.3
98.98456	3.1
100.11240	0.3
104.10742	3.3
105.06983	0.5
107.08582	0.2
110.19078	0.2
119.08553	0.4
121.10130	0.3
123.11725	0.4
124.07509	0.2
124.99998	22.0
131.08524	0.3
133.10077	0.5
143.01022	0.6
143.08557	0.3
145.10147	0.3
147.04361	0.3
147.11681	0.4
147.72417	0.2
161.04758	0.4
165.12811	0.2
172.07362	0.2
184.07330	100.0
185.07674	1.0
200.10663	1.3
206.02882	0.2
220.10173	0.2
258.11206	0.3
405.14618	0.2
450.22104	0.9
468.23560	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87295	1.0
55.05511	11.5
57.03421	1.5
57.07075	36.1
59.04994	4.3
65.03942	2.5
67.05504	100.0
68.05827	1.9
69.07059	9.4
69.96967	3.9
71.04987	2.6
71.08630	26.6
79.05492	2.9
81.07053	28.9
81.07525	1.8
83.08619	16.2
85.06522	3.7
85.10188	14.1
91.05483	6.8
93.07043	4.0
94.14606	1.1
95.08609	26.1
97.10169	5.1
98.21415	1.5
99.11742	1.4
107.08591	2.5
109.10155	89.4
111.08063	2.6
111.11755	2.0
119.08565	4.0
123.11710	5.1
125.13258	1.5
135.13692	1.1
137.09622	3.0
137.13239	2.0
155.10687	4.1
173.10237	1.8
173.11743	29.2
181.45950	1.0
239.23721	9.0
270.23618	1.0
361.28870	1.1
467.37289	78.0
468.37680	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	468.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79752	0.4
53.03948	0.5
55.05503	1.9
56.05032	1.5
57.03427	0.7
58.06606	1.5
60.08159	13.2
61.02898	0.5
67.05504	2.8
69.03413	1.7
69.07061	2.2
70.06593	1.0
71.07370	6.4
71.57612	1.1
72.08160	0.6
73.02883	0.7
79.05476	1.8
80.04987	0.5
81.03422	0.7
81.07050	5.7
83.04990	0.9
85.02898	1.8
86.09698	47.5
87.04440	0.5
91.05465	2.2
93.07039	2.4
95.04962	0.5
95.08603	1.9
97.02853	0.9
97.06522	0.9
98.14980	0.5
98.98466	4.6
99.04480	0.5
104.10735	82.9
105.07027	2.3
105.11103	0.6
106.06553	0.6
107.04958	0.7
107.08583	2.1
109.06552	0.9
109.10137	0.8
111.04469	0.5
119.08568	3.4
121.10132	2.0
123.11697	1.3
124.99994	28.7
129.06975	0.5
131.08524	0.7
133.10110	1.8
135.11690	0.8
137.05983	1.1
139.03918	0.7
143.01027	0.8
143.07204	0.6
144.07906	0.5
145.10109	1.7
147.08041	0.6
147.11694	2.8
149.13257	0.6
159.08000	0.6
161.13246	1.4
165.12685	0.7
169.10332	0.5
184.07327	100.0
185.07608	0.6
187.14694	0.6
203.14328	1.1
258.10968	1.0
285.16891	0.8
302.38385	0.5
377.12067	0.5
388.01144	0.5
422.31433	2.3
450.22360	5.8
468.17383	0.8
468.23517	14.3
469.23825	0.7
494.36340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
57.03432	11.6
57.07075	38.2
65.01505	0.7
67.05502	14.1
69.07073	7.4
71.08626	24.6
71.30910	1.4
71.31255	1.8
80.68771	0.8
81.07051	16.2
83.08605	7.7
85.06522	1.0
85.10175	12.8
86.36099	0.9
89.06028	1.0
91.93727	0.8
93.07045	1.1
95.08602	18.4
97.10167	4.9
98.98462	45.8
109.10155	12.0
109.15466	0.9
111.11685	1.1
116.99456	1.8
123.11712	3.1
135.03781	0.9
136.99983	4.1
137.13228	1.8
155.01038	51.9
165.31168	0.9
168.80807	0.8
193.02628	1.1
202.82405	0.9
211.03691	2.5
229.04750	2.8
239.23665	5.3
259.24677	0.8
301.40454	0.9
313.27350	100.0
314.27737	3.6
316.78638	1.0
393.23782	2.0
449.26599	12.2
467.21347	1.3
467.37244	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	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63038	0.7
54.29394	0.8
55.05262	1.1
55.05508	13.1
56.32303	0.9
56.32584	0.8
56.99757	0.7
57.03431	2.2
57.07074	34.0
59.04986	3.7
65.03926	2.5
67.05501	100.0
68.24093	1.0
69.07060	9.6
69.58074	6.4
71.04987	2.6
71.08630	25.0
73.25887	0.8
79.05499	2.2
81.06583	1.6
81.07053	28.6
83.08614	15.2
85.06539	2.6
85.10181	12.0
91.05485	4.3
93.07034	3.5
95.08602	25.2
95.98792	0.8
97.10159	4.7
98.21469	1.8
99.11740	1.1
100.31974	0.7
107.08598	2.0
109.10151	74.8
111.08080	2.4
119.08587	4.8
123.11679	4.1
137.09608	3.5
137.13266	1.5
155.10677	2.5
173.11737	26.1
221.22678	1.0
239.23633	7.3
309.89188	0.8
325.25607	0.8
441.46896	0.8
467.37317	63.7
468.37610	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03433	1.3
63.22839	0.7
67.05488	2.9
68.04975	0.6
69.03417	2.0
69.07050	1.6
69.54602	0.7
70.06551	0.9
72.04153	1.0
72.04516	14.5
79.05487	1.8
80.49909	0.6
81.03407	1.2
81.07056	3.5
83.04977	1.1
84.04484	0.7
85.02901	1.5
86.09693	0.9
87.04483	0.8
87.05576	1.0
91.05455	2.0
93.07034	3.6
95.04974	1.2
95.08585	2.8
97.02872	1.4
105.07024	2.6
107.08583	2.3
109.02869	0.9
109.10139	2.0
111.08062	0.7
114.91904	0.6
116.98614	0.6
117.07022	0.7
117.76888	0.6
118.06525	1.9
119.07280	1.1
119.08558	2.7
121.06477	0.8
121.10128	1.1
123.04394	0.9
127.03870	2.0
131.08549	1.3
132.08067	0.7
133.10112	1.6
134.09648	64.7
135.09969	1.0
135.11629	0.9
137.05968	1.2
143.08563	0.8
145.02853	0.7
145.10109	0.9
146.09660	1.1
147.04427	1.3
147.11626	1.2
148.11185	2.3
157.10114	1.0
159.11687	1.0
160.11203	9.4
162.12692	0.8
171.11719	0.7
173.13194	0.8
176.14337	10.6
177.05467	1.3
177.15131	2.4
181.02612	0.7
187.12294	2.5
191.09428	2.0
201.12700	0.8
201.16382	1.3
203.11777	5.1
204.10170	0.9
205.13353	19.1
231.11325	6.6
232.09679	16.6
234.14879	3.3
247.18013	0.8
249.12335	100.0
250.12735	1.2
270.17807	1.8
276.15973	1.0
291.17059	1.3
293.18582	26.5
293.21893	1.3
305.05841	1.0
308.11194	0.7
313.07034	0.7
407.14313	5.0
449.19168	2.9
467.20279	9.9
467.31189	1.1
468.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05509	8.6
55.65624	1.3
57.03428	8.4
57.07073	43.1
65.58347	1.2
67.05505	27.0
69.07068	9.0
70.09003	6.8
71.04967	1.8
71.08628	30.3
77.30840	1.3
79.05460	2.5
81.07052	19.4
83.08602	11.9
85.10181	15.9
91.05486	2.6
93.07034	4.1
95.08600	22.6
97.10144	6.6
98.98457	50.0
107.08579	2.7
109.10147	22.8
109.86773	1.6
111.11710	1.6
116.99499	2.4
119.08589	1.9
123.11694	4.4
135.11655	2.1
136.99962	4.3
137.13306	1.5
153.37691	1.4
155.01030	52.7
161.75929	1.3
169.10199	1.6
173.11760	5.6
177.09654	1.6
193.02611	2.1
211.03775	1.9
229.04741	2.1
239.23628	7.9
313.27332	100.0
314.27875	1.7
393.24084	1.9
449.26489	14.8
467.37381	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	467.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28450	2.0
53.03954	9.4
55.01874	9.9
57.03427	4.9
59.67833	1.7
61.02915	5.2
66.48089	2.0
67.05473	3.0
68.99776	4.8
69.03081	2.7
69.03425	30.7
70.04561	2.1
71.04991	6.2
72.08126	2.4
73.02906	7.3
76.13194	1.7
79.05480	2.8
79.69675	1.9
81.03421	30.1
81.07063	2.6
82.50859	2.2
85.02898	60.6
86.09692	5.3
87.00826	22.1
91.03955	2.4
91.05479	2.7
93.07030	3.5
95.04977	2.3
95.08633	2.1
97.02878	24.8
99.04449	12.7
105.01869	18.7
105.07022	3.5
107.04958	4.1
107.08593	2.2
109.02862	28.7
115.05452	4.0
117.01861	2.4
119.04929	2.4
119.08621	2.7
120.08103	2.6
127.03912	47.5
128.06200	20.7
129.01851	3.8
129.06995	7.2
130.04158	2.1
131.08571	4.0
133.10085	3.6
134.09703	3.0
134.29556	1.8
136.21379	1.7
137.05949	5.3
141.07005	6.8
141.37971	2.2
143.08568	25.0
145.04970	15.5
145.06387	4.4
145.10077	3.1
147.02873	3.2
147.04457	3.0
157.06493	4.7
158.07234	3.9
159.02881	19.3
159.08011	3.6
160.05190	5.8
161.05902	3.1
162.06755	8.2
169.06433	2.4
171.08040	37.1
174.06758	14.0
175.07542	29.2
175.11154	2.3
186.06819	3.0
187.07654	3.0
188.08357	10.1
189.09061	15.5
201.09093	7.7
203.10660	100.0
217.08492	2.3
219.10143	46.2
231.05061	4.8
249.12286	6.6
303.04871	9.2
304.05225	2.8
305.05609	4.3
433.85812	2.1
467.09607	6.6
467.20642	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	467.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44916	1.2
53.03947	10.0
55.01866	11.2
55.05492	1.9
57.03417	3.9
61.02917	5.0
66.62975	1.1
68.99782	3.3
69.03424	29.9
71.04973	5.5
71.57909	1.7
72.08134	1.7
73.02908	7.4
79.05485	2.8
81.03409	35.9
81.07039	2.4
83.01324	1.4
84.11170	1.3
85.02896	65.1
87.00827	25.0
87.04454	1.7
91.03925	2.6
91.05467	2.9
93.07053	1.3
95.04969	1.5
95.08578	2.0
97.02883	20.1
97.06528	1.3
99.04444	14.3
105.01852	17.4
105.07018	2.0
107.08560	1.8
109.02866	33.6
113.16527	1.3
115.03832	1.2
115.05460	5.7
117.01813	4.5
117.06997	2.5
120.08080	1.3
127.03900	47.9
128.06212	21.7
129.01787	3.0
129.06992	5.9
131.04880	1.5
131.08574	6.6
133.10062	1.4
137.05960	7.6
141.06921	6.1
143.04897	2.6
143.08546	23.8
144.05632	2.0
145.02820	2.5
145.04945	14.9
145.06454	2.8
145.10118	1.9
147.02875	3.4
147.04439	2.8
157.06490	3.7
158.07245	2.8
159.02899	18.1
159.08031	4.0
160.05209	4.7
161.05981	3.4
161.09528	1.5
162.06764	10.4
169.06514	2.0
171.08031	32.0
171.09497	1.6
173.05963	2.3
174.06746	18.6
175.07529	22.3
177.05457	4.9
186.06705	2.4
187.07529	3.2
188.08310	11.3
189.09064	18.4
191.10555	1.5
201.09074	7.0
203.10655	100.0
204.11003	1.5
213.03979	1.5
217.08614	2.1
219.08070	3.0
219.10149	46.3
231.04990	4.5
304.05405	1.7
425.10953	1.8
436.08301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
57.03423	6.5
67.05495	14.5
69.03413	3.6
69.07062	10.3
71.02613	4.9
71.02930	3.8
79.05482	13.1
81.03401	4.5
81.07041	55.3
85.02885	6.1
85.06523	3.9
91.05469	17.9
91.44899	3.2
93.07053	7.8
95.04958	3.0
95.08604	13.7
97.02885	5.3
97.06532	5.6
105.07038	20.9
107.08613	8.6
109.10112	4.3
117.55016	3.3
119.08578	20.1
120.08102	3.0
121.10156	16.6
123.11739	20.0
133.10059	4.3
136.06142	3.2
140.20293	3.7
147.11668	49.3
165.12701	17.9
193.12228	3.7
229.14365	12.3
267.15851	35.8
279.65332	3.4
285.16928	100.0
303.04968	31.3
421.14551	13.9
465.13580	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	465.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08407	1.3
51.29904	1.2
51.50064	1.2
53.84975	1.3
55.01875	12.6
55.05270	1.7
55.05509	21.6
57.03437	9.0
57.07073	7.8
67.05503	7.2
69.07071	22.7
70.67265	2.7
70.71976	1.4
71.08630	4.3
73.02923	8.5
79.05477	4.8
81.07053	9.4
82.36623	1.5
83.08209	1.8
83.08624	18.8
85.10178	1.8
93.07047	5.3
95.08608	6.1
97.06529	2.6
97.10190	11.4
98.98468	47.7
107.08568	3.9
109.10122	2.1
111.08109	2.5
111.11720	3.1
116.99506	1.5
121.10113	5.9
123.11812	1.8
125.09648	1.7
129.05447	2.8
135.11687	4.1
137.00003	2.0
149.13258	2.5
153.52681	1.5
155.01033	37.3
211.03780	1.7
219.21062	2.2
229.04695	2.3
237.22081	11.8
267.91275	1.6
311.25800	100.0
312.26114	4.6
346.85187	1.6
447.25073	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.5
57.03421	9.2
67.05504	30.3
69.03412	6.5
69.07062	16.4
70.08093	19.7
71.96687	4.2
79.05485	26.0
81.03435	7.4
81.07056	43.5
83.04996	4.9
83.08613	9.4
85.02902	8.6
87.04460	5.8
91.05458	20.3
93.07040	35.8
95.04948	7.4
95.08614	15.5
97.02899	7.0
97.06536	6.2
105.07038	11.2
107.08582	13.9
109.06500	10.3
109.10165	4.8
113.64796	4.4
117.07069	5.2
119.08619	6.3
120.08113	6.7
121.06573	4.8
121.10164	10.7
123.04407	20.2
129.06964	4.2
131.08606	11.6
133.10098	9.7
135.04391	3.8
135.11713	6.7
137.05972	49.8
139.03966	4.5
145.02832	6.7
145.80023	4.0
147.04405	4.9
147.11665	6.6
149.05977	8.1
149.13269	15.2
159.11708	13.3
161.06012	7.8
167.07050	5.5
177.05464	9.3
177.12779	9.1
183.29315	3.8
184.07469	6.0
185.05992	10.8
187.97664	4.1
195.13826	9.5
199.07542	4.5
199.11317	3.9
213.05350	18.7
231.06656	6.0
232.06924	5.4
234.07251	5.2
245.08127	5.4
249.18578	6.1
269.17456	100.0
269.20187	7.8
302.07333	22.2
303.04892	13.3
303.07800	12.6
304.05212	15.9
304.08237	26.4
323.22189	11.3
341.23114	13.8
344.41925	4.1
363.12244	10.9
381.13345	8.3
448.23132	10.6
466.29419	6.0
467.22797	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	465.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01866	5.5
55.05509	2.4
55.10384	0.8
56.05016	1.9
57.03433	2.9
59.33851	0.9
59.65951	1.0
61.02917	2.4
69.03427	11.3
69.17896	1.0
70.06584	3.7
70.48512	2.0
70.48889	1.4
71.04987	31.7
73.02913	2.2
77.39304	0.9
79.05539	0.8
81.03408	3.8
84.04528	0.8
85.02522	0.8
85.02908	11.3
86.06026	0.8
86.43351	0.9
87.04459	2.0
92.04988	1.9
94.06551	1.9
95.04960	0.8
96.04487	1.4
97.02863	6.1
97.06490	1.2
98.06045	55.3
99.04449	26.5
99.06388	1.1
109.02881	1.9
110.06001	2.4
111.04405	1.4
112.07611	1.7
114.05566	0.9
115.08687	1.8
116.07083	22.7
117.05494	2.5
122.05995	1.7
124.07573	1.8
125.05999	1.5
127.03928	2.4
136.07591	1.4
138.05479	6.5
140.07063	5.6
142.08621	3.6
146.05969	1.3
148.07594	5.3
150.05406	1.0
152.07016	7.3
154.08644	1.9
157.09726	2.4
162.09146	1.8
163.06226	1.0
164.07054	2.6
166.08629	1.5
170.08112	2.2
174.07683	1.5
175.06369	1.0
176.07079	15.9
176.08568	1.6
178.08667	5.0
186.11209	1.6
188.09132	10.2
190.08641	6.3
192.10211	1.6
194.08128	1.7
200.07109	1.2
203.13892	2.1
204.06570	1.7
206.08017	1.1
208.09697	2.1
210.11252	1.7
218.08104	11.6
220.09679	1.1
235.08478	1.8
235.10733	24.4
236.09116	1.9
238.10735	4.4
246.58968	0.9
250.10728	12.4
257.14926	2.5
285.14474	5.0
286.12924	1.6
303.05023	6.7
303.15475	100.0
304.15958	2.9
447.20050	1.5
455.30719	0.9
456.43289	0.9
465.20786	61.9
466.21204	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	465.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67562	1.1
55.01871	4.1
55.05499	1.6
56.05031	1.7
57.03437	2.2
57.70905	1.1
57.96896	0.9
61.02919	2.8
69.03426	7.9
70.06587	2.0
70.75181	2.1
70.75551	2.0
71.04993	25.1
72.04501	1.1
73.02912	1.5
80.04945	1.1
81.03405	3.2
82.06597	1.7
84.04523	1.5
85.02906	9.9
87.04468	1.3
94.06559	1.8
97.02864	5.5
97.06533	1.3
98.05420	2.4
98.06055	45.4
98.32967	1.1
99.04454	23.4
102.53179	1.2
109.02887	1.6
110.06026	3.5
112.07648	1.4
115.08736	1.3
116.07089	20.3
117.55231	1.0
123.04383	1.2
124.07578	2.3
127.03899	1.2
134.06021	1.1
138.05519	4.4
140.07111	5.5
142.08708	1.9
145.04970	1.3
145.14624	1.0
147.04443	1.4
147.57765	1.0
148.07553	2.7
152.07080	5.2
156.06558	1.1
157.09744	2.6
162.05589	1.3
162.09111	1.8
164.07089	2.7
172.07564	1.7
176.07071	12.7
177.07921	1.2
178.08629	3.6
188.09148	6.1
190.08641	5.6
192.10280	1.4
203.13963	1.2
204.06573	2.1
206.08160	1.8
218.08060	11.0
235.08525	1.2
235.10738	21.3
235.12869	1.6
236.09186	2.0
238.10806	4.6
241.92265	1.1
250.10739	10.3
285.14514	4.6
286.13013	1.5
303.05084	3.5
303.15497	100.0
304.15967	1.8
309.33887	1.1
321.64368	1.0
363.23032	1.1
447.19971	2.3
465.20819	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71377	0.2
55.01859	0.3
55.05499	0.4
56.05033	0.4
57.03422	0.3
61.02902	0.3
65.03934	0.4
67.05500	2.2
68.99790	1.1
69.03410	0.5
69.06724	0.2
69.07066	2.3
70.02916	0.2
70.06591	1.4
71.57527	0.3
73.02895	0.4
79.05473	0.3
81.03397	0.6
81.07059	0.9
84.04518	0.3
84.08107	0.2
85.02905	1.5
91.05478	0.5
93.03374	0.6
93.07056	1.0
94.06611	0.2
94.49165	0.2
95.01322	0.5
95.04954	0.8
95.08606	1.9
96.04469	0.7
97.02880	0.5
97.06519	0.2
98.09645	0.2
99.00771	0.2
99.05590	1.6
107.04991	0.3
107.08598	0.3
109.02853	0.8
109.10155	2.6
110.05975	0.2
110.09681	0.5
111.00774	1.6
111.05551	1.0
111.11681	0.3
113.02356	0.4
113.07137	0.2
119.08556	0.5
120.08089	0.3
121.02883	1.4
123.04401	0.4
125.07072	0.2
126.12759	0.4
127.03915	0.4
131.08476	0.2
134.09608	0.5
135.04413	0.3
136.07642	0.2
136.11215	2.5
137.02333	4.4
137.03355	0.2
137.05984	0.3
137.07051	0.4
137.09564	0.6
141.01802	0.6
145.06448	0.4
149.02332	0.6
151.12270	0.6
152.10616	0.2
153.01814	5.8
154.12228	1.3
155.04897	0.4
159.04442	0.2
161.05972	0.5
162.05481	0.2
163.03870	0.8
165.01825	3.3
166.02638	0.3
169.13356	0.4
173.05972	0.6
177.05463	0.2
179.11787	10.5
180.12062	0.4
183.02869	1.0
183.04343	0.4
185.04259	0.3
187.03902	0.6
191.03357	0.2
195.02917	0.7
197.12845	38.9
198.13158	0.7
201.05440	3.0
205.05000	0.3
207.02892	0.2
211.03947	0.2
214.42230	0.2
215.03397	0.3
215.13905	7.0
216.14258	0.2
219.03119	0.2
219.06436	0.4
223.74037	0.2
228.04193	0.3
229.04964	6.6
230.05295	0.2
239.03462	0.3
243.08749	0.6
244.09447	0.4
247.05960	1.2
257.04434	3.6
258.04910	0.3
271.16519	14.3
272.16766	0.3
274.04672	1.1
275.05453	0.3
285.03967	2.0
286.04620	0.3
289.14154	0.3
289.17563	12.2
303.04971	100.0
303.12170	3.0
304.05307	5.9
350.49139	0.2
378.15356	0.3
384.94196	0.2
447.19101	0.3
465.10590	0.2
465.17026	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	465.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01866	5.5
55.05509	2.4
55.10384	0.8
56.05016	1.9
57.03433	2.9
59.33851	0.9
59.65951	1.0
61.02917	2.4
69.03427	11.3
69.17896	1.0
70.06584	3.7
70.48512	2.0
70.48889	1.4
71.04987	31.7
73.02913	2.2
77.39304	0.9
79.05539	0.8
81.03408	3.8
84.04528	0.8
85.02522	0.8
85.02908	11.3
86.06026	0.8
86.43351	0.9
87.04459	2.0
92.04988	1.9
94.06551	1.9
95.04960	0.8
96.04487	1.4
97.02863	6.1
97.06490	1.2
98.06045	55.3
99.04449	26.5
99.06388	1.1
109.02881	1.9
110.06001	2.4
111.04405	1.4
112.07611	1.7
114.05566	0.9
115.08687	1.8
116.07083	22.7
117.05494	2.5
122.05995	1.7
124.07573	1.8
125.05999	1.5
127.03928	2.4
136.07591	1.4
138.05479	6.5
140.07063	5.6
142.08621	3.6
146.05969	1.3
148.07594	5.3
150.05406	1.0
152.07016	7.3
154.08644	1.9
157.09726	2.4
162.09146	1.8
163.06226	1.0
164.07054	2.6
166.08629	1.5
170.08112	2.2
174.07683	1.5
175.06369	1.0
176.07079	15.9
176.08568	1.6
178.08667	5.0
186.11209	1.6
188.09132	10.2
190.08641	6.3
192.10211	1.6
194.08128	1.7
200.07109	1.2
203.13892	2.1
204.06570	1.7
206.08017	1.1
208.09697	2.1
210.11252	1.7
218.08104	11.6
220.09679	1.1
235.08478	1.8
235.10733	24.4
236.09116	1.9
238.10735	4.4
246.58968	0.9
250.10728	12.4
257.14926	2.5
285.14474	5.0
286.12924	1.6
303.05023	6.7
303.15475	100.0
304.15958	2.9
447.20050	1.5
455.30719	0.9
456.43289	0.9
465.20786	61.9
466.21204	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
65.03934	0.2
66.30611	0.2
67.01890	0.2
68.99786	0.6
69.22705	1.8
69.23113	0.6
72.50289	0.2
81.03423	0.3
93.03387	0.4
95.04967	0.4
109.02843	0.4
110.12851	0.2
111.00788	0.9
121.02882	1.0
123.04480	0.2
135.04384	0.3
137.02347	3.6
149.02388	0.5
153.01834	4.4
155.04941	0.4
161.06055	0.3
163.03900	0.7
165.01840	2.5
169.23126	0.2
173.05951	0.4
177.05519	0.2
183.02895	0.8
183.04396	0.4
187.03880	0.5
195.02940	0.3
201.05461	2.1
211.04031	0.2
219.02998	0.3
219.06541	0.3
228.04245	0.3
229.04951	5.0
247.05986	0.7
257.04465	2.9
258.04810	0.2
266.19122	0.2
274.04788	1.0
284.02875	0.2
285.04053	1.5
303.04990	100.0
304.05423	1.9
323.26865	0.2
331.71304	0.2
369.93253	0.2
404.90390	0.2
465.10178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
65.03934	0.3
68.99776	0.9
69.03440	0.2
70.73267	0.6
81.03396	0.4
85.02872	0.3
93.03384	0.4
95.04977	0.5
103.04177	0.2
109.02883	0.7
111.00795	1.6
112.04737	0.2
121.02859	1.7
123.04398	0.4
127.03872	0.4
135.04405	0.3
137.02338	5.0
143.04973	0.3
145.06516	0.5
149.02361	0.5
153.00549	0.4
153.01817	6.7
155.04918	0.3
161.05975	0.4
163.03923	0.9
165.01830	2.9
166.02591	0.5
173.05986	0.6
183.02888	1.3
183.04437	0.7
187.03899	0.7
195.02931	0.3
201.05469	3.0
205.04961	0.3
207.02815	0.2
209.61661	0.2
217.70805	0.2
219.02969	0.2
219.06517	0.5
228.04152	0.3
229.04950	6.2
247.05977	1.3
257.04431	4.1
274.04797	1.3
275.05319	0.3
277.64777	0.2
285.03955	1.9
303.04977	100.0
304.05319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01849	0.6
57.03422	0.9
61.02925	3.7
68.99785	0.7
69.03411	0.8
70.04382	2.4
70.06577	0.9
71.04937	0.5
73.02918	1.0
81.03415	0.7
84.08129	0.5
85.02895	3.9
85.26330	0.4
86.09686	1.5
91.03947	1.7
91.51746	0.5
94.39072	0.5
95.04967	0.4
97.02884	1.6
100.11243	0.5
109.02832	0.5
111.00782	1.0
120.08072	1.0
121.02843	1.2
123.04407	0.5
127.03899	1.4
137.02328	4.1
149.81657	0.4
150.96603	0.5
153.01807	5.0
163.03949	0.5
163.11179	0.6
165.01817	2.4
173.05884	0.5
182.15387	0.5
183.02905	1.2
201.05521	2.6
210.14854	1.2
229.04936	5.4
237.14363	0.6
238.15991	1.7
238.66096	0.7
242.05891	0.5
247.06017	0.7
257.04370	3.5
274.04565	1.1
285.03983	1.5
303.04968	100.0
304.05316	1.7
315.04919	0.5
447.29410	0.5
470.41034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.66207	0.3
52.38463	0.3
54.30421	0.3
61.02925	3.5
66.06211	0.3
68.99793	0.8
69.03432	0.5
70.83453	0.3
70.83823	1.0
73.02904	0.9
81.03405	0.5
85.02904	3.6
91.03946	2.4
97.02880	1.2
99.14202	0.3
109.02871	0.7
111.00768	0.8
121.02840	1.2
123.04396	0.5
127.03900	0.6
137.02347	4.4
149.02347	0.6
153.01849	5.0
161.05951	0.6
163.03909	0.7
165.01889	1.6
173.06001	0.7
177.05664	0.3
179.80913	0.3
183.02849	0.6
183.04349	0.5
187.03883	0.3
195.02713	0.4
201.05472	2.0
229.04956	4.8
229.07037	0.4
247.05923	0.6
257.04388	3.3
274.04669	0.6
285.04041	1.4
285.12399	0.6
286.10452	0.4
287.29089	0.3
287.74246	0.3
293.24841	0.3
301.03418	0.3
303.04980	100.0
304.05414	1.6
315.04950	1.2
345.06055	0.5
350.16003	0.5
369.06076	0.8
399.07095	0.3
465.10172	0.5
465.18527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24522	3.4
50.44938	3.8
53.03939	8.4
55.01862	9.7
55.05508	33.0
57.03431	8.6
57.07063	6.2
61.97300	3.7
65.03927	5.2
66.97196	3.5
67.05502	90.0
69.07071	30.7
71.04978	5.5
71.19996	9.2
75.48533	4.2
79.05054	6.1
79.05486	65.0
81.03398	3.5
81.07053	90.4
83.04976	10.7
83.08596	16.8
85.06516	5.1
91.05477	100.0
93.07042	71.4
95.04955	16.3
95.08598	51.1
97.06512	10.3
97.10150	8.9
103.05457	7.1
105.04498	4.2
105.07030	87.1
107.04948	9.0
107.08589	42.0
109.06519	8.1
109.10162	19.4
111.08051	8.9
113.99492	3.5
115.05437	5.0
116.06234	4.5
117.07021	45.9
119.08575	52.7
121.06472	10.9
121.10117	25.4
122.79100	3.6
123.08066	4.5
123.11678	7.1
125.09663	4.8
128.06204	6.4
129.07024	28.5
131.07617	3.7
131.08563	66.6
133.06464	9.0
133.10129	41.2
135.08035	7.2
135.11687	14.1
136.51028	4.3
137.09677	3.8
141.07004	8.6
142.07736	4.0
143.08591	25.1
145.06493	6.6
145.10100	35.5
147.08040	10.7
147.11676	9.0
149.09666	7.5
149.13213	6.4
152.17593	3.6
154.07733	4.1
155.08536	10.6
157.10130	14.5
159.11678	15.7
161.09651	4.5
161.13252	4.1
167.08536	7.3
169.10120	15.7
171.08037	4.0
171.11671	11.3
173.09630	6.1
173.13226	7.3
177.12691	6.0
181.10120	8.3
183.11719	5.3
185.13205	6.3
187.14902	4.8
189.16400	4.1
191.07155	3.7
195.11655	7.0
197.13229	10.1
199.14853	5.6
201.12642	3.8
209.13266	6.8
211.14822	4.5
215.14244	4.7
223.14725	4.8
228.37814	4.3
230.42426	3.8
233.15384	5.1
245.04263	3.5
245.15514	5.5
247.17104	4.6
254.29185	5.1
259.16940	5.1
273.18411	5.4
325.25089	10.7
335.23688	11.4
343.26102	19.4
352.48587	3.7
353.24765	54.2
371.25806	59.6
389.26877	51.1
445.29428	90.4
463.30475	56.5
464.30341	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03938	4.8
55.01864	3.1
55.05511	19.4
57.03429	6.4
57.07078	1.7
65.03926	4.3
65.09520	1.3
67.05502	78.0
69.07064	27.7
69.16843	1.2
70.45282	3.8
71.04995	6.5
79.05491	49.8
81.03422	3.8
81.07052	100.0
83.04978	8.1
83.08619	20.5
85.06538	5.1
91.05475	32.4
93.07040	71.0
95.04955	11.9
95.08604	24.8
97.06537	12.3
97.10154	1.2
99.08071	2.4
104.12740	1.3
105.07023	14.6
107.08588	41.1
109.06499	4.4
109.10158	6.4
111.08090	8.7
113.06008	1.6
117.06982	10.3
119.08560	6.4
121.06514	3.6
121.10141	20.4
123.08087	2.5
123.08958	1.3
123.11724	4.9
125.09583	2.1
131.08560	14.8
133.10110	15.7
135.08061	1.9
135.11656	13.8
138.15685	1.3
143.08565	3.0
145.10155	3.6
147.08105	1.4
147.11609	1.9
149.13251	43.1
151.11186	2.2
159.11678	19.4
167.14313	2.0
177.12749	7.8
195.13806	22.1
208.32307	1.3
213.14946	3.2
227.12762	2.0
334.66663	1.5
343.26514	1.8
353.24915	2.6
371.26038	2.4
445.29581	5.3
458.98700	1.5
463.30591	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	463.3055
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03944	6.9
55.01877	4.9
55.05510	39.6
57.03431	16.7
65.03931	7.3
65.37939	3.7
67.05503	92.8
69.07085	26.5
71.04990	6.5
71.57642	6.0
71.58060	6.3
75.96210	3.7
79.05491	70.2
81.03440	4.6
81.07054	100.0
83.04993	9.8
83.08620	15.8
85.02905	4.4
85.06544	6.2
91.05478	98.3
91.89587	3.7
93.07040	78.0
95.04965	20.9
95.08604	56.4
97.06534	9.8
97.10185	10.7
97.24348	3.4
98.56523	3.9
105.07028	96.0
107.04918	9.1
107.08587	34.4
109.06528	13.1
109.10161	18.4
111.08069	5.8
115.11783	4.3
117.07011	41.6
118.07841	4.6
119.08566	57.8
121.06486	11.4
121.10144	22.7
123.08104	5.5
123.11710	5.0
129.07008	25.9
130.07697	7.2
131.08571	66.8
133.06552	6.8
133.10120	30.6
135.08102	7.8
135.11725	12.1
137.09714	4.1
141.07021	10.8
143.08551	30.4
145.06503	4.8
145.10118	44.2
147.08080	8.4
147.11702	12.4
149.09621	5.9
149.13274	7.7
155.08553	12.8
157.10110	21.6
159.11693	27.0
161.09683	5.2
161.13298	9.5
169.10132	16.1
171.11629	18.9
173.09502	4.7
173.13277	10.9
179.14304	6.8
181.10127	10.0
183.11736	8.5
185.13234	4.5
187.11211	5.4
195.11571	4.3
197.13258	8.1
199.14827	4.7
201.12798	5.3
209.13246	5.5
211.14783	7.0
213.16406	4.9
233.15491	4.5
247.17032	6.9
255.17609	6.8
269.19305	4.2
325.25348	11.6
335.23621	13.3
343.26358	17.3
349.27332	6.4
353.24698	52.5
371.25824	57.8
389.26907	52.0
427.28238	6.3
445.29495	60.6
463.30521	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25346	2.4
52.80566	2.5
53.03948	4.1
55.01869	6.8
55.05513	33.4
57.03431	7.9
57.07078	4.2
65.03939	4.4
67.05502	92.9
69.07069	29.6
69.89462	11.8
71.04986	6.9
72.87293	2.2
73.27516	2.3
79.05489	65.6
81.03426	3.3
81.07053	85.4
83.04986	5.9
83.08620	15.9
85.06538	3.0
91.05477	100.0
93.07037	69.1
95.04984	16.6
95.08598	49.1
97.06539	10.0
97.10179	7.3
98.21561	2.8
103.05457	3.0
105.07028	87.9
107.04973	8.5
107.08579	31.4
109.06520	9.8
109.10162	14.3
111.08058	4.1
115.05424	4.2
117.07007	42.5
119.08569	48.4
119.09359	4.0
121.06515	8.9
121.10136	26.0
123.08076	6.9
123.11733	4.9
128.06221	5.9
129.07001	31.4
131.08566	65.3
133.06577	5.3
133.10143	35.4
135.08041	6.9
135.11667	7.8
137.09595	3.8
138.26459	2.5
141.07008	11.1
142.07791	2.8
143.08569	25.4
144.71005	2.2
145.06464	6.3
145.10117	37.9
147.08067	8.2
147.11700	7.7
148.71326	2.6
149.09651	6.7
149.13232	8.0
155.08513	11.9
156.09332	2.8
157.10101	14.4
159.11661	17.9
161.09563	5.3
161.13165	3.4
167.08562	4.4
168.09386	2.6
169.10139	14.5
171.11685	11.6
173.13280	7.6
181.10165	5.6
183.11716	7.8
185.13252	7.2
187.11159	3.4
187.14790	6.6
191.62363	2.4
193.10254	3.6
195.11757	8.2
195.13771	3.4
197.13210	6.7
199.14795	4.6
201.16310	3.5
209.13243	5.4
211.14909	7.5
215.14359	3.6
217.16003	2.8
223.14807	4.0
225.16409	4.7
233.15303	5.6
247.16905	3.2
259.16916	6.1
269.19205	3.6
273.18393	3.1
325.25220	11.1
335.23792	10.3
343.26233	16.3
353.24713	42.2
371.25818	56.3
389.26831	51.8
427.28351	5.7
445.29523	88.1
463.30664	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95621	2.6
53.03935	6.8
55.01868	6.0
55.05512	34.0
57.03430	12.5
65.03940	8.2
67.05502	94.1
69.07063	35.0
69.55788	9.9
69.56216	10.1
70.60960	2.5
71.04988	6.0
79.05492	63.4
81.07054	89.6
83.04974	7.1
83.08612	20.3
83.47695	2.2
85.06502	3.6
91.05476	100.0
93.07036	70.4
95.04971	15.6
95.05474	2.6
95.08600	54.1
97.06524	10.1
97.10163	6.9
98.21485	4.3
103.05431	2.9
105.04526	3.2
105.07029	89.4
107.04938	7.1
107.08592	36.8
109.06512	9.2
109.10151	19.8
111.08083	6.4
112.99941	2.9
115.05459	5.9
116.03700	2.6
117.07001	37.6
119.08570	52.3
119.09366	4.0
121.06488	12.0
121.10136	26.9
123.08064	8.0
123.11726	4.6
128.06216	3.7
129.07008	27.7
131.08557	65.4
133.06580	2.6
133.10133	35.7
135.08041	7.6
135.11697	12.9
137.09602	6.8
141.06999	14.7
143.08553	28.7
145.06502	6.7
145.10127	39.7
147.08040	10.0
147.11684	6.8
148.19702	2.3
149.09608	7.6
149.13271	9.5
155.08568	14.7
157.10130	20.4
159.11678	18.1
161.09659	4.5
161.13254	4.2
163.11186	4.3
167.08580	5.1
169.10129	15.5
171.08093	2.9
171.11719	11.6
173.13255	7.2
175.14735	2.7
176.25630	2.9
177.12817	3.0
181.10097	6.6
183.11748	8.1
185.13266	9.8
187.14859	6.1
195.11667	4.9
197.13264	10.7
199.14745	5.0
201.12772	3.2
209.13168	5.4
211.14815	5.7
213.16537	3.0
215.14351	3.9
221.13268	3.2
223.14937	3.5
233.15317	4.9
235.16856	3.3
243.17424	2.9
247.17047	3.5
259.16974	4.8
312.57199	2.5
322.18967	2.7
325.25211	10.6
335.23727	7.5
343.26181	20.1
343.56738	3.1
353.24683	42.3
370.86734	2.6
371.21313	4.7
371.25797	49.0
389.26843	50.8
427.28522	6.2
445.29474	82.1
463.30643	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01875	6.0
55.05508	33.3
57.03430	10.3
57.07052	2.7
63.71354	2.5
65.03928	5.7
67.05502	87.0
69.03439	3.2
69.07069	28.5
71.05002	4.6
71.46218	2.2
75.55975	2.4
79.05492	65.1
81.06579	5.6
81.07053	88.1
83.04967	6.4
83.08207	2.3
83.08618	16.6
85.06531	4.7
85.18502	2.4
89.45533	2.4
91.05482	100.0
93.07044	70.2
95.04974	15.6
95.07989	3.1
95.08604	59.4
95.38810	2.3
97.06525	7.1
97.10190	3.0
98.20717	5.7
103.05410	3.0
105.07024	95.3
107.04955	8.0
107.08599	34.0
109.06497	10.6
109.10148	16.3
111.08069	6.2
115.05440	5.6
117.07013	48.8
119.08575	58.5
121.06530	10.6
121.10120	20.5
123.08087	5.7
123.11698	5.9
128.06219	4.4
129.07005	36.2
130.07785	3.9
131.08565	78.4
131.09525	5.9
133.06497	6.5
133.10133	38.4
135.08083	8.2
135.11722	12.1
135.92365	2.4
137.09610	3.6
141.07002	12.3
143.08563	31.8
145.06506	3.0
145.10115	41.4
147.08041	9.1
147.11673	10.1
149.09608	7.3
149.13274	5.9
151.11148	2.8
154.05566	3.0
155.08594	17.7
157.06390	3.1
157.10094	18.2
159.08101	4.1
159.11668	19.1
159.12811	2.8
161.09581	4.1
161.13286	4.2
163.11168	3.0
167.08574	7.9
169.10135	15.2
171.11696	20.0
173.13274	4.6
175.11156	3.2
181.10075	10.3
183.11693	7.0
185.13293	7.6
187.14809	6.3
195.11745	6.5
197.13193	15.3
199.11270	3.2
199.14810	7.1
201.12817	4.3
203.14261	3.6
205.15881	2.5
209.13266	5.5
211.14822	7.4
213.12787	3.6
213.16393	3.5
219.13789	3.0
223.14856	3.1
225.16252	2.8
227.17851	3.6
231.17679	2.8
233.15419	6.6
237.16385	3.1
245.15602	2.7
247.16949	6.9
255.17305	4.1
259.16937	3.4
261.18500	5.3
273.18613	5.7
285.38611	3.9
325.25320	14.1
335.23370	12.7
343.26291	27.3
353.24725	50.8
371.25751	64.6
389.26898	64.5
427.28363	9.4
445.29477	79.7
463.30545	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01859	6.4
55.05506	34.8
57.03423	14.4
57.07058	2.6
65.03917	6.2
67.05501	91.5
69.03423	2.6
69.07071	31.7
70.70604	6.7
71.04974	6.1
71.08621	2.6
78.13170	2.2
79.05489	68.9
81.07055	85.5
83.04964	7.4
83.08601	17.0
85.06531	4.2
91.05476	100.0
93.07039	69.3
93.07619	4.2
95.04967	14.1
95.08057	3.9
95.08605	46.1
97.06550	12.7
97.10147	5.4
99.08080	5.5
103.05446	4.6
105.07027	99.0
107.04941	10.7
107.08598	30.7
109.06540	11.1
109.10151	19.7
111.08051	5.8
113.00031	2.8
115.05431	5.4
115.32331	1.9
117.07009	44.8
117.07825	3.5
119.07710	3.1
119.08572	58.9
119.12305	2.3
121.06537	11.0
121.10150	24.9
123.08031	6.9
123.11665	5.2
125.09616	3.9
128.06215	6.0
129.06981	25.1
131.08560	72.5
133.06476	6.7
133.10126	35.6
135.08029	8.2
135.11685	13.6
141.06973	10.2
142.07764	4.5
143.08556	30.1
145.06526	5.2
145.10120	37.8
147.08028	9.1
147.11665	10.0
149.09636	4.6
149.13228	5.3
151.11198	3.5
152.34853	2.0
155.08545	15.3
157.10152	14.1
159.08060	4.5
159.11714	23.8
161.09604	7.0
161.13255	7.5
163.11165	5.2
167.08545	3.9
169.10167	14.1
171.07980	2.5
171.11714	15.8
173.13210	10.9
179.14272	4.4
181.10091	8.7
183.11685	12.7
185.09532	4.5
185.13258	9.1
187.11194	3.1
187.14796	4.4
195.11678	7.2
195.13687	2.3
197.13324	10.5
199.11171	3.0
199.14793	5.8
201.12788	5.2
207.11797	2.5
207.13837	2.9
209.13260	7.5
211.14780	6.6
213.16440	2.6
215.14227	4.0
219.13811	2.8
223.14851	5.3
225.16357	5.7
227.14163	3.3
233.15393	6.7
241.15854	4.2
243.17345	2.9
245.15367	3.3
247.16904	7.6
255.17433	2.6
259.16989	5.5
261.18503	6.9
273.18390	4.3
275.19901	3.2
277.21524	3.1
307.24033	2.4
325.25253	11.1
335.23428	12.3
343.26248	24.6
351.25229	5.4
353.24734	56.0
361.89008	2.2
371.21301	4.4
371.25787	65.0
372.26224	3.3
389.26840	58.2
427.28113	3.0
445.29453	68.6
463.30600	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50033	1.6
53.03942	6.5
55.01871	3.8
55.05511	28.2
56.96556	3.3
57.03446	9.5
57.07062	1.7
60.00015	1.8
61.02905	3.1
64.01366	1.6
65.03938	5.9
67.05503	94.3
67.16664	1.8
69.03423	2.0
69.07068	31.6
69.69270	8.6
69.69686	3.5
70.44536	1.6
71.01337	1.7
71.04986	6.5
73.02911	3.0
79.05492	68.7
81.03420	3.3
81.07056	100.0
83.04982	8.4
83.08608	16.7
85.02905	2.1
85.06516	4.1
87.34492	1.7
91.03993	2.2
91.04899	4.2
91.05475	71.7
93.07040	73.6
95.04971	13.5
95.08604	43.4
97.02905	3.4
97.06526	9.4
97.10194	4.7
98.20790	2.2
99.08096	2.9
105.04510	2.1
105.07033	58.0
107.04960	4.0
107.08591	46.0
107.79739	1.8
108.20673	1.8
109.06518	7.3
109.10153	14.9
111.08088	6.7
113.09682	2.5
115.05487	2.3
116.06200	1.6
117.07011	36.2
119.08585	36.4
121.06508	8.1
121.10139	23.2
123.08091	6.0
123.11726	3.1
125.09647	3.4
128.06238	4.6
129.07021	20.3
130.07761	2.2
131.08562	50.8
133.06506	6.1
133.10133	30.0
135.08058	6.7
135.11694	11.2
137.09645	3.4
139.11232	2.9
141.06966	5.8
143.08543	15.6
145.06570	2.2
145.10139	22.6
147.08060	6.4
147.11693	8.5
149.09624	6.9
149.13280	21.8
151.11148	3.5
155.08553	10.3
157.10159	10.5
159.08061	3.2
159.11674	21.1
161.09688	3.9
161.13342	2.8
167.08598	3.3
169.10095	11.5
171.08025	2.4
171.11682	10.4
173.13281	6.0
177.12738	4.9
181.10129	7.1
183.11670	7.6
185.13300	6.5
187.14854	2.5
195.11742	3.6
195.13802	6.8
197.13258	6.3
199.14818	2.7
207.11806	2.0
209.13333	5.7
211.14828	4.5
213.12872	2.3
213.16472	2.7
217.15822	2.1
225.16417	1.9
229.15819	2.4
233.15376	3.7
241.15843	2.8
247.17004	6.5
259.16922	2.5
259.20819	2.0
261.18561	4.1
269.10608	4.1
287.11795	7.2
316.11612	3.3
325.25253	7.2
325.42410	1.9
335.23874	7.2
343.26373	12.1
344.26587	2.1
353.24750	30.2
371.25821	36.6
389.26959	27.7
427.28308	2.9
445.29587	42.5
463.30600	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01875	7.3
55.02108	1.2
55.05508	34.8
57.03427	10.0
57.07060	2.7
58.96048	1.2
61.98837	1.4
64.06089	1.2
65.03936	5.8
67.05500	90.3
69.06227	1.2
69.07063	34.5
71.04987	9.6
71.58253	3.1
77.03914	1.5
79.05489	82.3
81.03412	3.9
81.07053	100.0
83.04967	8.6
83.08617	23.2
85.06532	5.7
91.05476	93.6
93.07038	86.0
95.04961	17.7
95.08604	55.1
97.06521	11.6
97.10146	6.7
99.08043	2.0
103.05470	5.4
105.07026	88.3
107.04941	9.6
107.08587	40.2
107.09302	2.6
109.06506	14.1
109.10152	14.0
110.15669	1.2
111.08092	6.6
113.09664	1.7
115.05455	6.8
116.06239	2.6
117.07013	50.7
117.07856	2.8
119.08569	53.6
121.06487	14.2
121.10126	23.4
121.10927	2.4
122.30227	1.3
123.08040	6.9
123.11724	2.9
125.09628	4.0
127.07597	2.0
128.06230	8.5
129.06985	31.2
130.07770	2.0
131.08559	81.1
133.06500	5.2
133.10120	33.6
135.08047	7.6
135.11688	15.5
137.09622	3.5
139.11122	1.9
141.07002	11.7
142.07739	4.6
143.08537	26.2
143.09538	1.9
144.09285	2.4
145.06483	4.8
145.10109	40.5
147.08008	6.7
147.11656	13.3
149.09634	6.7
149.13281	13.0
151.11177	2.0
153.09128	1.4
154.07777	2.7
155.08542	17.5
157.10123	21.2
159.08051	5.0
159.11681	32.0
161.09621	5.6
161.13242	10.6
163.11188	3.1
167.08604	7.1
168.09262	1.4
168.47821	1.6
169.10107	18.4
171.08026	2.2
171.11685	15.7
173.09645	2.9
173.13258	13.1
175.11234	4.5
177.12772	6.6
179.08530	1.9
181.10063	7.9
183.11707	12.0
185.09605	3.6
185.13280	10.7
187.11191	5.4
187.14842	5.3
189.12695	3.9
191.10649	1.4
195.11665	6.7
195.13812	6.5
197.13252	9.4
199.11208	2.6
199.14790	5.2
201.12761	5.0
201.16426	1.9
207.13792	1.7
209.13289	4.1
211.14807	6.2
213.12711	3.5
213.16470	2.6
215.14348	3.8
219.13802	5.0
221.13278	2.9
221.15356	2.6
223.14830	5.2
225.16399	5.0
227.14355	2.5
233.15421	3.5
235.14880	2.2
237.16420	2.6
241.15820	3.3
247.16988	3.5
255.17451	2.4
257.18890	1.7
259.17090	3.2
261.18472	4.6
269.18948	2.1
271.16840	1.5
273.18500	3.9
275.20096	2.3
287.20099	2.4
296.63370	1.7
307.24164	3.0
325.25171	12.4
335.23599	13.2
343.26309	25.5
353.24725	55.1
371.25797	59.9
389.26855	53.4
417.30032	3.5
427.28500	6.3
445.29480	82.7
446.29575	2.3
463.30646	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01867	4.3
55.05236	1.6
55.05507	27.0
57.03434	7.8
57.07078	2.5
58.22009	1.1
60.53762	1.1
65.03931	4.1
67.05499	87.0
69.03436	2.0
69.07063	31.6
69.74909	4.0
69.75342	3.5
71.04987	6.7
71.08628	1.1
73.02953	1.1
78.53725	1.2
79.05485	62.7
79.41250	1.1
81.03428	2.9
81.07048	100.0
83.04964	6.5
83.08605	17.3
84.42593	1.0
85.06543	6.0
85.86532	1.2
91.05473	59.3
93.07034	76.1
94.07397	1.2
95.04957	15.1
95.08594	34.4
97.06530	12.4
97.10175	3.3
99.08082	2.8
103.05447	1.2
105.04576	1.7
105.07021	39.5
106.07336	1.4
107.04955	4.4
107.08586	38.9
107.66421	1.1
109.06479	5.3
109.10150	9.8
111.04414	1.2
111.08076	7.5
115.05440	3.0
117.07004	24.4
119.08572	24.4
121.06520	5.0
121.10128	23.4
121.10928	2.1
123.08070	2.8
123.11706	4.4
125.09626	2.1
128.06218	2.5
129.06981	10.4
130.07773	1.4
131.08551	33.9
133.06450	1.7
133.10115	22.8
135.08080	4.6
135.11674	13.1
137.05983	1.6
137.09554	1.4
139.11131	2.1
141.07004	3.6
143.08566	11.0
143.70613	1.2
144.09203	1.3
145.06544	2.1
145.10103	14.2
147.08005	3.5
147.11722	5.6
149.09607	2.4
149.13248	29.6
151.11139	1.9
155.08600	4.4
156.09282	1.2
157.10129	7.6
159.08131	1.6
159.11694	18.7
161.09575	1.4
161.13257	1.9
163.11145	1.3
167.08560	2.0
169.10178	3.5
171.11728	3.3
173.13298	3.1
175.11060	1.6
175.14799	1.6
177.12717	7.8
181.10092	2.4
181.12102	1.2
183.11707	3.3
185.13310	3.9
187.14850	2.0
195.11905	2.0
195.13762	14.1
197.13249	3.5
199.14902	2.3
201.12679	1.5
209.13394	2.6
211.14836	3.3
213.14813	1.4
215.14377	1.8
223.14822	2.2
225.16376	1.2
233.15425	2.7
247.16995	2.9
255.17392	1.8
259.16873	1.5
261.18546	2.6
273.18665	2.0
275.19962	1.3
295.90063	1.4
313.07193	1.3
325.25400	2.8
335.23697	4.1
343.26367	5.9
353.24664	13.9
371.25745	17.7
389.26846	21.0
445.29559	9.8
463.30566	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03934	5.9
55.01855	6.2
55.05261	2.5
55.05509	32.9
57.03435	11.7
57.07062	2.6
65.03925	6.0
67.05500	94.1
69.03414	2.9
69.07063	32.7
69.91097	10.3
71.04990	7.9
79.05488	72.6
81.03405	4.9
81.07052	100.0
83.04969	7.8
83.08614	21.2
85.06522	5.8
91.05473	78.6
93.07038	73.3
95.04963	15.9
95.08596	49.4
97.06518	13.1
97.10132	3.9
99.08078	3.0
103.05444	3.2
105.07023	69.7
107.04950	7.8
107.08589	37.5
109.06522	9.4
109.10165	15.7
111.08061	7.0
111.11699	2.1
115.05443	4.2
116.06201	2.0
117.07008	33.7
119.08576	46.1
121.06506	10.9
121.09322	2.2
121.10133	22.3
123.08039	5.0
123.11664	3.2
125.09585	2.1
128.06213	6.2
129.07001	25.0
130.07716	3.5
131.08557	61.0
133.06467	5.1
133.10118	28.9
135.08044	6.0
135.11667	11.1
137.09605	3.2
141.07036	7.4
142.07794	2.3
143.08542	23.5
145.06464	4.6
145.09056	2.2
145.10120	25.4
147.08023	7.1
147.11678	8.2
149.09622	7.1
149.13257	21.9
151.11174	3.1
154.07730	2.4
155.08546	14.2
157.10117	16.6
159.08055	3.3
159.11687	22.3
161.09540	4.2
161.13214	4.3
163.11145	2.5
164.21559	1.6
167.08511	4.3
169.10123	8.5
171.11684	10.0
173.09616	3.1
173.13274	7.4
175.11151	2.3
175.15019	2.0
177.12715	4.3
181.10132	7.5
183.11646	7.6
185.09549	2.0
185.13266	8.0
187.11186	2.0
187.14803	3.8
189.12782	2.2
191.14362	1.6
195.11633	5.6
195.13757	6.7
197.13281	8.4
199.11160	1.8
199.14764	4.2
201.12740	3.6
202.73824	1.5
205.15977	2.2
209.13200	4.4
211.14827	2.1
215.18190	1.5
217.12314	1.7
217.15970	2.3
219.13879	2.7
223.14856	4.1
225.16341	3.8
233.15321	5.8
235.17014	2.1
241.15883	2.4
247.17020	4.1
255.17506	3.5
259.16956	2.7
261.18497	4.3
273.18445	4.5
287.20142	1.6
298.04449	1.6
325.25089	7.8
335.23651	9.3
343.26309	16.1
353.24786	30.0
371.21298	2.6
371.25800	36.6
389.26862	31.7
427.28049	3.1
445.29489	23.2
463.14636	1.6
463.30704	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	463.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
69.03412	0.2
70.82227	0.3
70.82566	0.5
71.05008	1.0
76.09227	0.2
81.07037	0.3
85.02898	1.2
91.05450	0.7
93.07028	0.3
100.11253	0.3
119.04961	0.4
133.67235	0.2
135.71321	0.2
147.04431	1.7
153.01839	0.8
161.01265	0.2
229.04921	0.7
247.21959	0.2
257.04379	0.3
258.05225	21.7
259.05518	0.4
274.04514	0.3
286.04700	38.9
287.05075	1.7
297.37360	0.2
299.09061	0.2
301.07043	100.0
302.07413	3.3
317.06369	0.6
361.02176	0.9
379.03131	0.3
463.11905	0.5
479.75204	0.3
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	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03930	0.2
55.01847	0.5
57.03435	0.6
58.52938	0.1
61.02918	0.7
65.03936	0.2
67.01839	0.4
67.05499	0.2
68.99788	0.6
69.03432	2.0
70.05714	0.2
70.06009	0.6
71.04974	0.3
73.02896	0.3
77.04317	0.1
79.05470	0.1
81.03406	0.8
85.02901	4.4
91.03897	0.1
91.05477	0.3
95.04936	0.2
97.02889	1.2
99.04446	0.3
99.61288	0.1
105.03388	1.1
105.06962	0.1
107.04926	0.9
109.02853	0.5
111.04432	0.3
115.05461	0.3
115.68203	0.1
117.06973	0.2
119.08609	0.2
123.04426	0.9
127.03919	0.9
135.04381	0.6
137.02295	0.2
137.05885	0.2
139.03905	0.2
143.04941	0.2
144.05699	0.2
145.04964	0.3
147.04413	0.2
147.08011	0.5
149.02361	0.4
151.03889	0.1
157.06453	0.1
160.05186	0.2
161.02325	3.2
161.05995	0.9
163.03893	1.7
164.04617	0.2
167.03395	11.7
168.03741	0.3
171.04414	1.1
171.08032	0.2
175.03885	0.8
175.07530	1.5
177.05443	0.3
179.03360	0.2
184.05312	0.2
185.04439	0.3
185.05965	0.5
188.04701	0.8
189.09160	0.3
199.07469	0.2
202.06197	0.4
203.07024	5.3
204.07376	0.1
205.04848	0.3
212.04579	0.2
213.05351	0.3
215.07031	0.1
216.04239	1.4
217.04927	0.3
217.08548	1.1
219.06445	0.4
226.63147	0.1
227.07039	1.1
229.08655	0.2
230.05717	0.8
231.06508	19.7
232.06921	0.4
233.08122	0.5
240.04131	0.7
243.15906	0.1
245.08096	5.0
246.08478	0.2
255.06425	0.9
258.05112	0.2
259.06021	2.2
268.03619	0.3
273.07547	2.1
275.34070	0.1
276.15881	0.1
283.05960	1.5
286.04718	0.1
301.07043	100.0
302.07440	3.3
308.35669	0.1
325.07022	0.3
342.46460	0.1
343.08188	0.5
387.42679	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	463.1229
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.05491	0.1
69.03400	0.4
71.04979	0.2
79.05486	0.2
83.04959	0.1
84.08115	0.1
85.02876	0.4
89.46603	0.1
91.05464	0.2
100.11239	0.2
105.07055	0.1
109.02872	0.2
119.04895	0.2
127.03911	0.3
134.02470	0.1
147.04408	0.6
149.05957	0.2
149.31441	0.1
153.01828	0.7
161.01125	0.1
182.15340	0.1
185.05865	0.1
213.05507	0.1
214.06232	0.4
217.04906	0.4
229.04938	0.6
230.05797	0.1
232.07315	0.4
241.04970	0.3
250.78448	0.1
257.04443	0.2
258.05219	17.7
259.05640	0.6
269.04425	0.3
286.04691	37.5
287.05020	1.4
301.07028	100.0
302.07367	3.1
302.09900	0.1
317.06573	0.2
361.02087	0.2
379.03253	0.3
411.47000	0.1
463.12796	0.4
465.10123	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	462.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51073	0.8
70.06577	2.9
71.56820	1.3
83.06052	1.0
84.04484	2.2
85.02899	2.0
86.09679	2.5
89.03893	5.7
90.05547	1.2
91.05468	2.6
93.06992	0.9
94.96630	0.9
97.02923	0.9
115.40332	0.9
116.07114	0.9
117.03367	16.0
130.06526	2.4
134.03630	1.9
135.04388	1.5
145.02832	43.4
147.04391	1.2
149.05966	6.0
151.03865	1.6
152.04243	1.5
157.07574	1.2
177.05455	100.0
178.05809	1.2
273.04089	1.0
301.07025	1.3
423.95764	0.9
445.16400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
69.93533	1.4
69.93947	1.6
70.06579	1.4
72.08136	0.6
74.74110	0.5
79.05445	0.6
81.03391	0.8
81.07089	0.6
84.04522	0.7
84.08101	0.6
85.02891	1.1
86.09687	1.3
86.46445	0.5
89.03911	8.4
91.05468	1.3
95.04942	0.6
97.02875	0.7
117.03378	26.0
130.06543	0.5
133.96848	0.6
134.03606	2.2
135.04391	1.7
145.02838	57.7
146.03171	0.6
147.04413	0.6
149.05966	9.5
151.03899	1.9
152.04259	1.4
163.03973	0.8
163.49794	0.5
175.03957	0.7
177.05463	100.0
178.05779	2.1
186.05531	1.4
207.06467	1.1
301.07065	2.2
353.08682	0.7
381.06525	0.6
382.05103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.05507	0.2
55.97771	0.1
61.02894	0.2
67.05464	0.2
67.36179	0.2
68.99779	0.5
69.34560	0.9
69.34987	0.7
70.06570	0.3
79.05473	0.2
81.07045	0.2
83.04968	0.2
85.02878	0.5
85.74010	0.2
86.09717	0.2
89.03905	0.3
91.05422	0.2
95.04971	0.2
97.02906	0.2
98.21442	0.3
107.08595	0.3
113.57835	0.2
115.05459	0.2
117.07005	0.3
121.06494	0.2
123.00786	0.6
124.01577	0.4
129.06970	0.4
131.04901	0.5
134.03615	3.4
135.65392	0.2
137.05890	0.2
143.04866	0.2
145.06477	0.2
147.04330	0.4
149.02361	0.5
152.00974	0.4
153.01817	8.7
157.02896	0.2
157.06458	0.4
159.11371	0.1
161.02289	0.3
163.03908	0.3
170.02094	1.2
171.04419	0.2
175.03931	0.4
185.06006	0.7
197.06017	0.3
199.03824	0.8
201.05382	0.2
202.06258	0.6
212.04637	0.2
213.05437	2.6
229.04915	5.4
230.05713	3.0
241.04930	11.3
242.05396	0.2
245.08101	0.8
255.06195	0.2
257.04419	0.4
258.05249	1.0
268.03754	0.3
269.04422	14.8
270.04825	0.5
273.07492	0.4
283.06024	0.2
285.03915	1.6
286.04681	16.3
287.05151	0.5
301.07028	100.0
302.07355	3.3
356.34750	0.2
432.15363	0.2
463.32285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
54.70023	2.3
55.01857	10.4
55.05506	42.8
57.03422	13.5
57.07051	2.6
65.03928	4.7
67.05495	86.2
69.03403	5.5
69.07065	27.9
71.02792	3.3
71.03152	5.7
71.04983	8.1
79.05486	80.5
81.03410	9.5
81.07043	83.7
83.04983	8.3
83.08599	23.6
85.02872	3.4
85.06551	3.8
91.05470	100.0
93.07035	67.7
95.04976	21.8
95.08588	45.9
97.06539	9.0
97.10165	12.5
99.08077	4.1
103.05476	6.1
105.07021	71.7
107.04967	17.8
107.08566	33.9
109.06502	12.1
109.10143	27.1
111.08061	3.9
111.78758	2.4
115.05453	10.6
116.06231	4.8
117.07002	57.2
119.04932	5.5
119.08558	40.0
120.08074	3.5
121.06496	21.4
121.10143	19.1
123.08092	6.6
123.11681	3.7
123.88376	2.4
125.09619	10.0
128.06204	17.1
129.06982	57.8
131.08557	65.4
133.06499	12.8
133.10112	33.3
135.08092	12.6
135.11673	8.4
137.09616	10.0
141.06953	17.8
142.07770	8.0
143.08537	49.9
144.05853	2.5
145.06439	20.3
145.10103	32.1
145.31194	3.1
147.08075	15.7
147.11685	10.6
149.09616	9.9
149.13243	4.2
151.11147	2.5
153.06987	6.5
155.08521	33.7
156.09290	2.7
157.06406	3.6
157.10112	32.6
159.08040	12.9
159.11646	15.1
161.09555	5.5
161.13197	5.6
163.11172	4.6
165.09099	49.9
167.07219	2.8
167.08499	15.5
168.09303	2.7
169.10104	18.7
171.08044	7.2
171.11658	18.0
173.09592	6.9
173.13203	6.3
175.11179	6.1
175.14804	4.2
179.08563	4.2
180.09308	3.5
181.10091	15.9
183.08011	4.0
183.11603	12.8
185.09564	4.3
185.13260	9.7
187.11134	5.2
187.14857	5.1
189.11186	3.7
189.12714	4.7
191.10651	2.8
193.10112	3.0
195.11697	10.9
197.13298	8.6
199.11115	5.5
199.14827	9.0
201.12877	6.1
203.14273	3.4
207.11693	5.1
209.13240	11.4
211.11299	3.9
211.14783	6.5
213.12724	10.5
213.16350	3.4
215.14326	8.4
217.15904	7.2
221.13167	6.2
223.14847	7.5
225.12683	5.3
227.14404	4.5
229.15874	5.3
231.13817	3.5
235.14764	7.9
239.14333	9.0
243.13841	4.5
245.15331	3.5
253.15808	5.9
257.15378	7.0
259.16910	4.5
267.17581	3.2
271.16937	8.4
285.18616	4.1
305.22626	3.9
315.21124	4.1
323.23651	9.8
333.22318	12.6
341.24756	19.6
351.23181	44.0
359.25751	6.6
369.24179	92.9
370.24298	7.3
387.25275	39.4
407.25180	3.0
415.28549	3.8
417.26501	4.0
425.26660	4.7
443.27798	76.3
461.28894	73.2
462.29047	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01875	9.3
55.05509	29.3
57.03435	18.4
57.07081	3.5
59.04949	2.1
65.03932	5.5
67.05502	67.6
69.03425	15.0
69.07071	26.5
71.01338	3.0
71.04977	6.9
75.04523	1.8
79.05489	52.1
81.03417	32.0
81.07050	73.7
83.04987	12.0
83.08617	14.2
85.02898	5.0
85.06538	5.1
91.05476	58.4
93.06470	4.2
93.07042	55.2
95.01334	11.7
95.04962	25.6
95.08609	46.1
97.02882	14.3
97.06547	6.7
97.10164	6.5
98.21533	5.0
99.04469	3.3
99.08132	1.9
102.75110	1.8
103.03955	2.5
103.05413	3.6
105.03364	2.4
105.07027	54.0
107.04966	11.8
107.08590	31.1
109.02892	6.9
109.06518	5.5
109.10168	20.2
111.04443	5.0
111.08108	3.1
115.05440	4.2
117.07005	30.4
119.04957	2.2
119.08574	40.9
121.06500	11.1
121.10128	20.7
123.04432	10.5
123.08089	4.6
123.11729	5.9
125.05970	3.4
125.09599	4.0
127.03915	3.6
128.06233	10.8
129.05522	3.3
129.06981	27.5
131.04953	5.1
131.08560	40.0
133.06487	9.4
133.10126	27.4
135.04474	2.1
135.08054	8.3
135.11720	11.1
137.06007	3.5
137.09608	5.1
137.13271	2.5
141.07010	7.8
142.07808	4.6
143.08566	23.0
145.06482	13.9
145.10110	27.0
147.04407	2.6
147.07986	10.0
147.11678	24.8
149.06033	2.8
149.09621	6.1
149.13245	7.2
151.07521	3.9
151.10992	2.0
153.06990	3.4
153.12685	2.0
154.07811	2.7
155.08569	11.3
156.09268	3.3
157.06506	7.5
157.10127	23.2
158.07281	2.4
159.08081	9.9
159.11661	20.3
161.05992	3.0
161.09615	5.6
161.13242	9.8
163.07512	2.3
165.07007	2.8
165.09135	3.5
167.08614	7.3
169.08820	2.9
169.10106	13.2
171.08055	8.7
171.11650	18.2
172.08876	2.1
173.09636	7.6
173.13251	11.3
175.07556	6.1
175.11194	8.0
175.14760	3.8
177.12784	5.7
179.08630	3.4
181.06569	2.4
181.10147	6.8
183.08081	3.8
183.11685	10.5
185.09586	9.2
185.13275	13.1
187.11194	8.0
187.14856	6.7
189.09154	3.4
189.11285	2.4
189.12836	4.7
193.10165	3.0
193.12189	2.7
195.11705	5.9
197.09586	5.5
197.13307	7.8
199.11172	6.2
199.14848	8.3
201.09131	2.8
201.12706	2.8
201.16493	2.5
203.10693	4.4
203.14244	2.6
205.12086	2.0
207.11777	3.5
209.13275	4.8
211.11179	3.9
211.14848	6.1
213.12766	4.7
213.16322	4.6
215.14409	3.8
221.13351	3.9
223.14777	3.9
225.12700	4.8
225.16354	2.8
229.12274	2.6
229.34926	2.9
229.37149	2.2
231.13925	2.5
239.14319	2.7
241.19684	2.1
253.15987	3.1
259.20712	5.5
261.22162	2.4
285.22031	2.3
289.21570	2.3
297.22208	2.8
299.20520	2.1
299.23767	4.4
303.23068	2.4
315.23282	2.9
323.23776	5.3
325.21613	2.3
327.23227	8.7
335.25821	15.0
341.24637	14.7
345.24377	3.2
351.23132	19.4
359.25748	2.6
369.24255	50.1
387.25272	15.9
415.28586	2.8
425.26910	4.1
443.27905	50.0
461.12375	2.7
461.28976	100.0
462.29349	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01865	8.3
55.05509	35.3
56.11272	3.4
57.03420	11.9
63.17551	3.3
67.05174	6.0
67.05500	75.7
69.07062	27.5
69.53659	15.6
69.54101	12.8
71.04979	4.4
79.05495	64.8
81.03406	4.1
81.07051	75.8
83.04966	5.0
83.08611	17.0
86.12093	3.3
91.05478	100.0
93.07038	58.6
95.04956	13.1
95.08602	41.9
97.06519	15.6
97.10160	10.9
103.05476	6.8
105.07024	70.2
107.04970	9.1
107.08587	28.4
109.06544	5.8
109.10151	23.7
111.08060	5.2
115.05443	10.1
116.06181	4.1
117.07011	57.7
119.04921	4.8
119.08591	40.6
121.06489	14.4
121.10150	21.0
123.08056	5.8
125.09615	4.5
128.06201	19.6
129.07005	66.2
131.08554	75.5
133.06490	12.0
133.10123	23.5
135.08031	10.5
135.11674	7.9
139.11230	5.6
141.06996	29.8
142.07742	11.1
143.08557	52.6
144.09267	3.9
145.06493	16.1
145.10101	33.6
147.08020	12.9
147.11661	7.6
149.09627	14.8
153.07063	8.5
154.07657	4.7
155.08566	34.4
156.09341	3.7
157.06493	5.3
157.10106	25.1
159.08092	11.5
159.11665	12.1
161.06078	3.7
161.09608	7.6
163.11131	4.5
165.06952	6.4
165.12782	3.3
167.08566	15.5
168.09229	6.2
169.10149	27.9
171.08038	6.3
171.11626	18.5
173.09521	5.3
173.13283	6.4
175.11163	4.6
177.12810	5.8
179.08580	10.4
181.10051	17.7
183.10170	3.7
183.11690	14.2
185.09665	4.1
185.13272	10.7
187.11203	6.8
187.14879	9.0
189.12721	3.8
193.10117	8.7
195.11679	24.5
197.13225	10.2
199.11258	4.9
199.14845	8.8
201.12769	5.0
203.14398	4.7
207.11707	8.6
209.13257	11.7
211.11177	4.6
211.14799	7.6
213.12721	6.7
213.16306	4.1
215.14351	10.3
217.15933	5.4
221.13268	11.9
223.14841	10.8
225.12804	6.8
225.89784	4.1
233.13307	5.7
235.14781	10.4
239.14386	6.6
253.15915	6.0
255.17229	5.4
257.15277	8.5
259.17023	5.1
267.17706	4.3
271.16943	9.9
285.18469	6.6
313.25201	4.1
323.23682	14.0
333.21930	18.0
341.24634	14.5
351.23215	51.6
351.27231	6.3
369.24203	52.4
387.25266	21.5
443.27927	63.7
461.28995	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01869	8.7
55.05262	2.8
55.05508	35.3
57.03228	1.5
57.03436	16.6
57.07073	3.7
65.03941	4.8
67.05500	73.4
69.03432	2.6
69.07061	27.4
69.83971	10.0
71.04980	7.1
79.05491	69.7
81.03402	5.2
81.07048	66.2
83.04973	7.1
83.08611	20.4
85.06532	4.7
87.04465	2.3
90.12063	2.0
91.05475	100.0
93.07034	57.3
95.04945	17.3
95.08598	40.0
97.06505	8.7
97.10167	5.4
99.08094	4.4
103.05465	4.2
105.07024	69.2
106.42067	1.9
107.04947	15.1
107.08587	28.4
109.06494	10.6
109.10148	15.3
111.08068	5.0
115.05442	10.3
116.06219	4.4
117.07011	51.6
119.04896	3.1
119.08574	34.6
121.06495	13.5
121.10146	14.3
123.08054	8.1
125.09623	6.5
128.06227	15.3
129.06995	63.2
130.07774	3.9
131.04922	2.6
131.08553	65.4
132.08835	2.0
133.06494	16.3
133.10110	23.6
135.08069	9.9
135.11678	8.3
137.09616	5.2
141.06981	23.1
142.07747	8.2
143.08548	50.2
145.06482	18.6
145.10106	27.1
147.08047	17.1
147.11667	9.9
149.09618	7.2
149.13287	2.6
151.11229	2.5
153.07014	5.1
154.07715	3.3
155.08543	30.7
157.06474	5.6
157.10107	26.6
159.08023	8.2
159.11658	15.9
161.09602	6.5
161.13254	3.5
163.11223	4.3
165.06985	3.2
165.12741	2.0
167.08536	18.0
168.09230	3.9
169.10135	23.0
171.08038	5.0
171.11642	16.9
173.09584	4.3
173.13261	5.9
175.11197	6.1
177.12746	4.1
179.08514	5.8
181.10083	14.8
183.11676	14.0
185.09631	4.4
185.13219	15.3
187.11137	4.2
187.14830	4.0
189.11279	2.6
193.10132	8.4
195.11670	11.8
197.09525	2.7
197.13342	10.9
199.11185	4.3
199.14874	8.0
201.12813	3.8
207.11722	4.6
207.13554	1.9
209.13193	10.8
211.11208	2.4
211.14825	6.8
213.12758	9.0
213.16382	3.0
215.14410	9.2
217.15912	3.0
221.13260	7.5
223.14900	9.1
225.12733	5.2
225.16379	5.5
227.14407	4.1
231.13873	4.0
231.17369	2.3
233.15303	3.5
235.14824	7.7
237.16373	2.4
239.14268	7.7
241.15901	3.8
243.13872	2.9
249.16628	2.6
253.15904	3.9
257.15335	5.2
259.17023	3.6
267.17334	2.0
269.15338	2.7
271.16986	10.1
281.18808	2.4
285.18338	2.5
305.22513	3.1
323.23642	8.8
333.22186	13.2
341.24863	14.9
351.23181	45.2
369.24216	64.4
370.24762	2.3
387.25317	35.3
425.26807	5.2
433.29218	2.1
443.27936	45.1
444.28293	3.6
461.28995	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10109	2.4
53.03934	6.3
55.01858	10.2
55.05507	40.2
57.03435	16.3
59.04978	3.2
63.33872	2.2
64.27588	2.5
65.03930	7.7
67.05500	85.0
69.03431	3.8
69.07065	29.3
71.04980	4.6
79.05491	77.1
81.03416	3.1
81.07053	72.6
83.04966	7.5
83.08627	20.1
85.02914	2.7
85.06528	5.6
91.05476	100.0
92.05782	2.9
93.06474	4.4
93.07040	67.5
95.04964	22.3
95.08601	48.8
97.06507	7.3
97.10148	11.8
99.08035	3.8
103.05464	8.7
105.07025	75.5
107.04952	18.5
107.08597	30.5
109.06510	11.3
109.10148	19.1
111.08093	6.1
115.05495	14.2
115.06173	2.2
116.06203	2.4
117.07013	56.5
119.04948	5.2
119.08576	41.3
121.06508	18.3
121.10146	20.3
123.08008	4.6
123.11675	4.1
125.09577	9.9
128.06230	22.0
129.07002	59.0
131.04898	4.0
131.08562	77.0
133.06490	16.7
133.10120	22.3
135.08011	7.6
135.11679	9.1
137.09602	10.5
141.06964	26.6
142.07770	9.6
143.08557	56.1
145.06491	19.0
145.10127	36.7
147.08043	13.9
147.09039	3.2
147.11693	7.2
149.09589	7.9
149.13271	5.4
151.11099	4.0
153.06926	2.7
154.07622	3.1
155.08545	30.7
157.06525	5.6
157.10139	26.8
159.08046	11.6
159.11646	17.9
161.09630	9.0
161.13269	2.5
163.11191	4.6
165.06937	3.2
165.09111	23.8
167.08525	14.7
168.09358	3.3
169.10109	23.1
171.08078	5.8
171.11713	19.0
173.13260	7.5
175.09764	2.5
175.11186	6.4
177.12711	3.9
179.08516	6.3
180.09346	2.7
181.10120	16.0
183.08061	3.2
183.11678	19.2
185.09608	3.1
185.13194	13.0
187.11133	3.1
187.14862	5.2
189.12695	5.0
193.10045	5.5
195.11649	15.7
197.09607	2.6
197.13249	12.6
199.11186	4.0
199.14780	8.1
201.12767	3.6
203.14326	3.6
207.11803	5.8
209.13351	11.5
209.15117	3.3
211.11200	4.9
211.14821	7.5
213.12805	12.6
213.16240	3.5
215.14290	6.6
217.15953	4.9
221.13164	8.5
223.14772	7.0
225.12697	4.2
225.16408	4.2
227.14366	4.6
229.16074	5.9
231.13791	3.7
231.17433	3.2
233.15421	3.7
235.14867	5.6
237.16420	3.2
239.14301	7.5
241.15923	3.2
243.13768	3.8
245.15385	4.6
253.15865	4.9
257.15469	5.2
267.17410	2.7
271.16800	5.9
275.16498	4.0
305.22739	3.0
323.23621	10.6
333.22089	11.4
341.24637	16.6
349.19769	2.5
351.23163	48.0
352.23642	3.0
369.24228	82.9
387.20880	3.9
387.25339	45.9
391.18387	2.4
415.28470	3.2
425.27164	5.0
443.27927	65.1
444.27853	5.0
461.28937	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	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20910	2.3
53.03939	6.6
55.01859	8.5
55.05511	40.3
57.03429	10.3
65.03934	5.8
67.05502	75.5
69.03405	3.9
69.07060	26.2
69.84843	8.1
69.85260	6.4
71.04984	9.7
72.09663	2.6
77.03900	2.5
78.86627	2.1
79.05490	78.6
79.65965	2.5
81.03427	4.5
81.07051	75.9
83.04969	9.7
83.08610	18.6
85.06530	5.1
91.05475	100.0
93.07040	67.3
95.04961	20.6
95.08039	4.5
95.08598	45.0
97.06528	8.5
97.10135	6.3
98.20814	3.0
103.05464	6.2
105.07028	73.9
107.04933	16.6
107.08590	31.0
109.06510	12.7
109.10152	23.3
111.08063	4.9
115.05447	11.3
116.06211	4.2
117.07018	59.7
119.04913	3.4
119.08582	36.3
121.06506	17.2
121.10143	18.8
123.08071	7.3
123.11720	2.8
125.09637	4.6
128.06216	14.7
129.07007	61.3
130.07782	3.8
131.04907	5.9
131.08569	79.7
133.06496	17.3
133.10126	26.6
135.08052	8.3
135.11678	7.9
135.43042	2.3
137.09630	9.6
141.06964	17.8
142.07727	7.1
143.08548	46.3
145.06491	15.7
145.10110	36.3
147.08008	14.7
147.11710	12.4
149.09630	9.8
151.11121	4.1
153.06999	8.3
154.07771	3.4
155.08548	38.2
157.06493	6.5
157.10121	36.0
159.08060	9.0
159.11699	20.6
161.09616	8.5
163.11165	6.1
165.06993	4.5
165.09183	2.5
167.08527	14.9
168.09267	2.8
169.10109	24.2
171.08040	8.1
171.11713	19.9
173.09572	4.0
173.13272	7.3
175.11157	4.3
177.12750	5.3
179.08531	8.1
180.09253	3.4
181.10123	18.0
183.11696	14.7
185.09586	4.3
185.13258	12.0
187.11188	6.7
187.14780	4.0
193.10127	8.8
195.11684	16.0
197.09647	4.7
197.13203	13.5
199.11240	4.7
199.14836	10.8
201.12769	3.6
203.14348	4.8
205.10002	3.3
207.11687	6.7
209.13269	14.4
211.11258	5.1
211.14838	6.1
213.12735	7.6
215.14349	8.7
217.15804	3.2
219.13733	3.2
221.13190	8.7
223.14877	11.4
225.12712	6.6
225.16286	3.5
227.14319	5.9
229.15898	3.9
231.13762	3.7
231.17282	3.3
233.13310	5.1
235.14857	6.5
239.14386	9.8
243.13786	3.5
245.15437	5.0
247.16904	3.0
249.16365	4.7
253.15799	7.4
257.15280	7.3
259.17029	3.2
271.16962	8.6
273.18649	5.1
285.18723	3.1
293.46463	3.0
323.23654	13.5
333.22134	17.4
341.24652	21.4
351.23145	55.8
359.25864	4.7
369.24231	81.9
370.24585	5.6
387.25272	49.1
405.00314	2.3
422.94855	3.1
425.26709	4.3
443.27878	57.7
461.28973	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	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.6
54.59306	1.6
55.01871	15.2
55.05308	1.8
55.05510	20.3
55.31096	1.6
57.03426	11.1
57.07063	6.5
59.04985	3.5
59.56013	1.4
61.02929	8.0
62.65912	1.6
67.05505	8.4
68.99773	5.6
69.03425	65.1
69.07060	41.5
69.37357	3.6
69.37766	13.1
71.04988	9.9
73.02921	12.3
79.05499	6.0
81.03410	55.2
81.03768	1.1
81.07053	23.6
83.04979	14.3
83.08612	7.4
85.02899	100.0
85.06535	18.1
86.94389	1.9
87.00822	41.0
87.04441	1.9
88.16790	1.9
91.03947	2.7
91.05466	3.4
93.07040	14.7
95.04948	2.9
95.08598	35.0
95.09169	3.0
97.02896	29.7
97.06525	7.0
97.10150	10.6
99.04441	19.5
99.08088	25.9
100.11276	2.4
105.01865	26.5
105.07040	4.6
107.04911	4.1
107.08583	22.5
109.02873	46.8
109.03592	2.9
109.10155	12.4
110.44890	1.6
111.08104	4.7
111.11707	7.7
113.09602	9.3
115.96932	1.7
117.01874	6.4
119.08575	3.3
121.10138	27.9
123.08054	2.0
123.11722	7.1
125.09620	10.2
127.03908	86.0
127.11180	2.8
129.01837	8.0
129.12753	2.1
133.10112	2.8
135.11664	13.0
137.13232	15.7
139.11188	6.9
145.04956	23.7
145.10129	2.8
147.02902	4.9
149.13237	5.3
151.14824	6.1
153.12740	18.2
159.02882	31.1
168.92030	1.5
175.14900	2.1
177.16382	64.0
189.03905	2.6
193.04897	2.3
195.17432	55.8
196.17845	1.7
210.14949	2.4
213.03931	3.3
213.10028	2.1
213.18469	31.6
231.05000	16.3
284.06744	2.6
299.09116	16.1
461.23877	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	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75559	1.8
55.01868	5.5
55.05508	9.5
55.17028	2.2
56.20410	1.8
57.03421	4.2
57.07066	4.0
60.92426	2.2
67.05510	13.2
69.03429	14.1
69.07066	14.3
69.35439	11.6
69.35857	7.2
70.06599	3.4
71.04977	7.4
73.02921	3.7
79.05478	9.5
81.03407	13.2
81.07053	34.8
83.04968	2.5
83.08613	9.3
84.08138	11.0
85.02903	27.5
85.06535	6.5
86.09689	6.3
87.00352	2.0
87.00816	11.4
91.05477	6.9
93.07043	20.5
95.04974	4.2
95.08597	49.8
97.02875	11.3
97.10136	5.7
98.20634	2.2
99.04420	4.8
99.08091	5.1
105.01831	10.7
105.07027	6.4
107.08586	32.8
108.80508	2.0
109.02863	8.6
109.10141	10.7
111.08096	2.2
112.07584	1.9
119.08579	3.5
120.08069	2.7
121.10135	45.6
123.11684	6.3
125.09615	3.6
127.03899	15.8
129.01791	2.2
133.06529	2.3
133.10143	5.3
133.36153	2.0
135.08061	2.5
135.11687	18.3
135.54837	1.8
137.05948	4.9
137.13263	14.9
139.11101	2.6
145.04932	5.4
147.07904	1.8
149.13246	6.3
159.02869	4.2
177.16374	100.0
186.66150	2.2
195.17439	16.4
201.44937	2.5
213.18530	20.9
231.05016	2.4
295.29315	1.8
299.09073	6.2
311.97659	1.8
315.08655	5.7
406.31329	2.2
444.37210	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	461.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11981	1.7
53.03938	2.1
53.78513	1.6
55.01865	5.1
55.05506	10.7
57.03434	13.7
61.02900	3.5
67.05504	20.7
69.03427	7.1
69.07064	11.4
69.47169	13.5
71.01356	19.6
71.04971	2.1
73.02921	23.1
79.05491	16.0
79.59665	1.7
81.03403	2.2
81.06582	3.8
81.07056	69.0
81.29121	1.8
83.04977	9.2
83.08620	7.9
85.02905	40.7
85.06546	2.6
86.46568	1.8
91.05482	24.9
93.07023	13.4
94.24549	1.7
95.01316	6.9
95.04964	4.5
95.08597	16.8
97.02885	9.8
97.06521	7.4
99.00819	3.8
99.04446	2.3
99.08092	4.3
101.02374	6.2
103.03932	5.5
105.07037	30.7
107.08566	13.0
109.06503	5.5
109.10145	2.5
113.02383	15.4
119.08587	21.2
121.10140	25.1
123.00762	2.5
123.08088	4.8
123.11697	28.7
127.07527	2.9
129.07008	2.8
131.03401	13.6
131.08588	3.6
141.01784	13.1
145.10109	2.9
147.11684	77.9
159.02893	3.9
165.09045	3.0
165.12741	42.3
169.04967	5.3
175.11160	2.3
175.14691	2.3
183.13864	6.2
193.12239	6.4
213.14600	9.9
215.05537	7.3
229.14380	14.8
239.06967	2.0
241.14124	7.0
267.15839	9.1
284.06772	22.8
285.16974	29.2
299.05826	2.7
299.09088	48.5
309.16989	5.2
317.06390	3.3
357.18903	3.0
358.29089	2.2
375.19913	28.6
410.97919	1.7
417.20905	77.5
425.18057	2.2
461.19949	100.0
462.20502	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	461.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
55.01860	1.0
55.05504	2.1
57.03435	1.6
58.97229	0.9
61.10051	0.7
65.03937	12.8
67.05502	1.9
68.72176	0.8
69.03432	2.6
69.07055	1.8
71.04987	0.9
71.56676	1.0
79.05480	2.9
81.03403	2.5
81.07046	3.2
83.04948	1.7
83.08601	1.2
84.08131	0.9
85.02903	3.6
86.09686	1.9
87.00818	1.0
89.03941	0.8
91.05484	2.6
92.05003	6.6
93.07037	2.1
94.06565	4.6
95.04940	1.2
95.08589	2.6
97.02895	3.2
97.06509	1.4
99.08112	1.1
103.05481	5.6
104.38882	0.7
105.01875	0.8
105.07015	1.9
107.04954	3.3
107.08613	1.4
108.08118	7.4
109.02906	1.6
116.04980	2.9
119.08664	1.1
120.04452	10.9
120.08091	7.4
121.06542	1.1
121.10145	2.6
122.06026	15.5
126.09105	0.8
127.03868	2.6
128.03323	0.8
131.04939	7.1
131.08611	1.4
134.06032	1.0
136.07573	20.2
137.05960	1.6
138.05447	2.3
144.04431	4.7
145.05086	0.9
146.06000	3.3
147.11694	1.1
148.03925	100.0
148.07579	18.7
149.04305	1.8
161.06007	1.2
162.05508	5.2
162.81773	0.9
163.07561	1.8
165.09198	1.1
166.05000	58.6
167.07278	1.3
172.03931	20.4
174.05583	1.9
175.56651	0.8
177.16345	1.9
182.09682	2.4
184.09908	1.2
186.09175	1.2
190.04973	9.5
193.05054	2.0
195.17474	2.8
199.12302	2.2
204.06549	32.1
210.14929	1.0
212.09445	2.2
213.18483	1.3
222.07634	1.9
226.11058	1.8
227.11761	6.6
234.07640	1.5
238.29724	0.9
240.08890	1.8
245.12724	0.8
252.08678	2.5
255.11270	29.5
255.13953	1.8
257.12872	2.5
273.12210	1.6
283.10764	89.1
284.11087	3.3
297.12189	2.1
299.09189	5.3
301.11746	11.8
325.11847	9.8
339.13397	6.9
341.11105	1.6
343.12912	1.8
357.14539	1.9
359.12546	1.9
369.10809	41.8
370.11185	2.0
376.49066	1.1
385.09073	1.0
387.11856	66.0
388.12082	2.5
401.17392	1.1
405.12961	4.5
417.20969	3.4
429.12872	7.7
461.20111	7.9
461.31302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.7
67.05484	1.0
69.03426	1.8
69.21382	0.8
70.06595	2.5
70.15805	3.9
71.05009	0.9
72.08142	0.9
74.09722	0.8
77.20475	0.7
79.05502	1.1
81.03404	1.7
81.07083	1.7
83.06097	1.0
84.04507	1.0
84.08132	1.4
85.02906	5.3
86.09695	4.2
91.05454	1.2
92.62427	0.8
93.07077	1.1
95.04964	1.9
95.06076	0.9
95.08620	4.6
97.02930	2.7
97.06531	2.4
98.20840	1.3
105.07040	1.6
107.08575	1.4
110.07174	6.4
111.62272	0.8
119.08604	1.9
120.08127	0.9
121.06532	1.0
123.08068	67.3
124.08445	1.1
135.08104	2.0
137.06000	1.2
137.09712	0.7
139.07643	0.9
143.08513	1.0
147.08057	2.0
149.09717	0.8
150.26274	0.9
156.09381	1.1
159.08076	1.8
160.76318	0.7
161.09546	1.0
165.09117	100.0
166.09492	1.4
167.06999	1.1
171.11696	1.3
175.11183	1.5
184.07222	0.9
185.09630	1.0
189.12738	1.2
199.11220	2.9
203.10715	1.0
227.10773	0.9
233.11717	2.8
263.12784	19.8
301.49216	0.9
365.70425	0.9
375.73056	0.9
409.41965	0.8
414.26047	1.1
460.26834	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	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.29474	0.1
55.05503	0.2
56.13302	0.1
57.03433	0.3
65.03235	0.1
65.48061	0.1
67.05485	0.3
67.08434	0.1
69.03429	0.2
70.06954	0.6
70.07371	0.3
73.02912	0.2
79.05484	0.2
81.07029	0.6
85.02896	0.4
91.05470	0.2
95.04935	0.2
95.08620	0.2
105.06982	0.4
107.08591	0.1
107.71825	0.1
109.58129	0.1
119.08558	0.2
121.10104	0.2
123.00790	0.2
123.11692	0.2
124.01569	0.1
132.05672	0.7
133.06456	0.4
135.04413	0.3
137.05954	0.5
139.03894	0.2
145.06403	0.2
147.11690	0.4
153.06944	0.1
161.05861	0.1
163.03940	0.2
165.12715	0.3
167.03389	0.5
168.05690	0.4
169.01350	0.2
176.04549	0.1
182.07227	0.8
183.08067	1.3
184.03661	2.6
185.05949	0.3
196.05096	0.7
197.05962	0.9
200.08278	0.4
210.06859	0.6
211.07542	1.9
213.05475	0.7
224.04630	0.4
225.05441	0.3
227.07048	1.4
228.07730	1.0
239.04602	0.2
239.07005	2.9
240.07655	0.2
241.04945	1.1
243.10135	4.0
244.10541	0.2
252.04152	0.3
253.04852	0.2
255.06580	1.0
256.07285	7.9
257.07629	0.2
267.06552	1.2
268.07245	0.2
269.04425	0.3
283.05981	1.7
284.06772	17.4
285.07028	0.6
285.17044	0.2
299.09109	100.0
300.09467	4.4
373.33017	0.1
402.76962	0.1
461.26434	0.3
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
53.03942	10.0
55.01871	12.4
55.05501	1.7
57.03428	5.5
61.02922	7.8
67.05492	3.0
68.99775	3.8
69.03426	37.3
69.07043	2.6
70.06599	1.8
71.04984	5.0
72.04479	1.4
72.08096	1.8
73.02914	10.1
74.06095	1.7
74.20529	1.3
74.58024	1.4
79.05487	2.9
80.05000	1.9
81.03414	36.0
81.07043	4.6
85.02899	94.3
86.09728	1.5
87.00825	32.2
87.04483	2.1
91.05472	2.1
92.04294	1.4
93.07006	2.0
95.04967	1.7
95.08624	2.1
96.08173	1.3
97.02885	38.5
98.06062	1.5
99.04441	15.6
103.05454	7.2
105.01856	33.7
105.07020	4.1
107.04941	10.0
107.08633	2.2
108.04477	11.4
109.02872	37.8
110.03230	1.9
115.05461	1.5
117.01829	2.7
117.07008	1.5
126.05506	6.8
127.03910	66.7
128.07074	2.1
129.01828	4.7
131.04875	3.0
135.07097	1.4
135.08037	7.5
136.07672	1.4
137.05981	4.8
139.03912	4.3
145.04955	30.5
147.02896	3.9
150.06339	1.4
154.06224	37.9
154.71686	1.4
159.02876	22.6
163.07544	29.2
167.07019	2.6
193.08606	1.5
195.10153	100.0
196.10582	1.7
212.05524	1.5
213.03954	3.5
230.06662	4.7
231.04996	10.2
248.07684	6.1
249.05933	2.1
266.08533	1.7
270.97137	1.8
284.06946	1.5
299.09268	4.0
330.40356	1.6
385.89639	1.6
397.89969	1.8
416.23834	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04947	2.0
53.03940	7.3
55.01865	12.2
55.05513	72.6
57.03429	7.5
65.03931	6.9
65.04243	1.9
67.05503	75.8
68.90026	2.1
69.03426	7.3
69.07066	22.7
71.04989	5.8
71.58112	5.3
79.05492	66.2
81.03417	5.7
81.07060	58.8
83.04983	15.2
83.08612	30.5
85.02911	10.1
85.06538	5.8
91.05479	54.3
92.01582	2.3
93.07040	47.7
95.04979	13.5
95.08615	22.6
97.06544	5.1
97.10172	51.9
103.05462	21.7
105.03395	3.3
105.07026	44.3
107.04967	8.7
107.08591	32.2
108.08942	2.4
109.06496	5.7
109.10147	29.0
111.04426	5.4
111.08114	6.9
115.05430	11.7
116.06248	2.9
117.07017	58.8
119.04944	5.4
119.08581	23.7
121.06496	7.4
121.10120	19.4
123.08064	6.5
123.11722	2.8
125.09634	39.7
128.06238	11.3
129.07008	41.9
130.07764	2.5
131.04951	8.1
131.08563	49.4
133.06534	14.0
133.10141	12.0
135.08066	10.3
135.11673	2.4
137.05983	2.9
137.09639	3.8
139.07552	2.9
141.06990	15.5
142.07785	2.7
143.08539	24.8
145.06512	18.0
145.10112	21.1
147.08093	9.3
147.11685	7.0
149.06000	2.7
149.09637	13.1
151.11311	3.0
153.06955	3.7
153.09113	6.3
154.07721	3.4
155.08574	18.2
156.09348	4.9
157.06450	5.6
157.10104	10.3
159.08087	8.4
159.11679	6.3
161.09659	2.7
165.09131	11.4
167.08571	7.6
169.10135	13.8
171.08040	6.8
171.10307	3.6
171.11714	11.3
173.09686	3.0
173.11798	4.7
173.13243	4.1
175.11261	2.7
181.10114	4.1
183.11687	3.4
185.09660	2.6
185.13292	7.0
187.14816	19.3
189.11214	31.8
189.12756	4.2
193.10191	4.7
195.08052	2.3
195.11728	6.3
197.09604	3.7
197.13251	21.7
201.12846	3.1
207.11711	3.0
209.13289	3.2
211.14922	2.8
213.12663	10.3
215.14316	100.0
216.14639	2.8
221.13220	3.0
223.11250	4.0
225.12866	2.5
227.12720	32.2
231.13864	5.9
237.12694	3.6
238.41130	2.1
239.14229	2.3
241.12280	7.1
243.13699	2.7
245.13667	2.8
259.13391	5.7
269.15466	4.6
271.16937	6.5
273.14972	3.7
287.16492	2.7
295.15506	2.9
321.21927	3.8
339.23236	6.6
339.76376	2.1
349.21515	16.1
367.22723	46.1
385.23779	28.7
403.24814	4.0
405.24231	2.3
423.25195	2.6
427.08118	5.6
441.26395	51.3
459.11118	3.9
459.27463	78.7
460.28113	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.4
55.01865	10.9
55.05506	48.7
55.76954	1.7
57.03437	12.1
57.07052	4.0
65.03929	4.3
65.56749	1.7
67.05496	46.1
69.03412	8.6
69.07063	20.2
69.88726	11.4
71.04980	4.3
71.57814	1.8
74.10049	2.0
75.04463	1.6
76.98901	2.1
79.05482	42.9
81.03405	25.6
81.07045	41.6
83.04951	9.3
83.08609	21.1
85.06532	3.4
91.04965	3.3
91.05477	40.2
93.07036	24.3
95.01311	2.4
95.04956	20.7
95.08592	18.4
97.02869	2.9
97.06487	3.3
97.10156	22.7
103.05457	8.6
105.03362	2.6
105.07017	35.1
107.04930	8.4
107.08586	23.8
109.02862	4.2
109.06503	5.6
109.10141	11.4
111.04444	4.5
111.08067	4.1
112.99953	2.0
115.05452	12.9
116.06261	3.0
117.07001	29.9
119.08579	18.7
121.06493	5.8
121.10094	9.0
123.04438	3.5
123.08054	4.2
124.14346	2.1
125.09618	20.0
128.06224	10.5
129.06985	34.5
131.04922	6.5
131.08559	34.1
133.06476	6.0
133.10088	7.8
135.08047	6.1
135.11673	4.2
139.07472	1.8
141.06992	22.7
142.07768	8.4
143.04898	1.9
143.08546	25.3
145.06450	14.7
145.10118	16.5
147.08025	4.4
147.11696	4.6
147.72028	2.3
149.05997	2.3
149.09593	5.1
149.13301	3.0
152.06216	2.4
153.07031	9.4
153.09065	4.8
154.07768	8.6
155.08543	31.4
157.06482	6.8
157.10097	17.8
158.07201	2.0
159.08051	8.8
159.11697	8.7
161.05974	2.6
161.09615	4.4
165.06958	8.7
165.09090	4.9
166.07768	6.7
167.08565	20.9
168.09398	4.1
169.06436	3.2
169.10117	28.4
171.08029	9.8
171.11644	14.5
173.09636	5.9
173.13237	5.7
175.11191	3.1
178.07828	2.8
178.18871	2.1
179.08487	10.4
180.09392	2.3
181.06503	4.3
181.10086	18.4
182.07260	2.4
182.10951	2.9
183.08070	11.8
183.11656	15.1
185.09608	8.6
185.13155	9.1
187.07527	2.7
187.11191	3.2
187.14832	4.7
189.11229	10.6
191.08482	2.3
192.09259	3.3
193.10152	8.3
193.12268	2.5
194.10823	2.9
195.08023	12.8
195.11665	11.7
196.08754	3.0
196.12474	2.2
197.09583	10.7
197.13278	20.9
199.11211	8.5
199.14873	4.6
201.16206	1.7
205.10159	2.0
207.08112	2.1
207.11748	9.6
209.09569	9.1
209.13268	8.1
210.10310	3.5
211.11182	9.7
211.14745	5.6
213.09036	2.4
213.12691	7.8
215.14333	26.4
219.11740	4.4
221.13251	5.3
223.11139	7.3
223.14815	3.6
224.11826	2.4
225.12720	10.9
227.10687	4.3
227.12769	6.8
229.12199	3.3
231.13931	2.6
233.13179	2.6
233.15318	3.4
235.11226	2.0
237.12706	7.9
239.14348	4.0
241.12143	3.9
241.15762	2.6
243.13791	2.1
247.14906	3.3
251.14229	6.9
253.15808	2.9
255.13832	4.4
257.15390	2.0
257.18829	1.9
269.15326	2.9
273.14813	2.3
279.20944	2.3
282.10672	2.1
283.16702	2.2
283.20441	1.8
307.20493	4.0
321.22165	6.3
325.21658	2.3
331.20572	4.1
337.21594	2.1
339.23065	14.2
349.21506	26.9
357.24310	4.5
367.22641	54.2
385.23721	20.5
403.24771	5.2
423.25247	7.0
429.26334	7.8
441.26312	100.0
442.26871	2.5
459.27350	88.4
460.27972	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01880	12.4
55.05509	78.6
57.03433	10.5
57.07049	3.0
59.04996	3.9
63.43404	2.0
65.03950	5.0
67.05502	89.5
69.03420	7.7
69.06763	2.1
69.07069	19.5
69.42200	11.3
69.42609	6.5
71.04983	6.3
79.05491	68.6
81.03417	7.1
81.07058	51.1
83.04979	10.0
83.08620	36.2
85.06531	2.2
91.05479	61.3
93.03396	2.9
93.07049	32.4
95.04964	16.2
95.08594	19.4
97.06498	2.8
97.10168	59.4
98.20737	3.9
103.05470	24.9
105.03379	3.9
105.07025	46.8
107.04955	12.7
107.08589	35.1
109.06532	4.8
109.10152	29.9
111.08105	3.6
115.05460	15.9
116.06216	2.2
117.07012	69.7
119.04914	5.0
119.08591	26.1
121.06495	7.6
121.10174	12.5
121.34389	2.1
123.08082	4.3
125.09624	42.0
125.26529	2.0
128.06190	13.8
129.06995	42.2
131.04942	8.7
131.08563	50.4
133.06464	11.2
133.10112	11.1
135.08057	12.4
135.11685	3.6
137.09628	4.2
138.74234	1.8
141.07004	14.4
141.27417	1.9
142.07773	4.2
143.04956	3.7
143.08548	22.8
143.10681	3.8
144.09286	2.1
145.06459	22.1
145.10133	18.6
147.08078	9.7
147.11653	3.6
149.09619	8.8
153.07007	4.9
153.09119	5.4
154.07747	3.5
155.08578	22.6
156.09322	2.9
157.06506	8.5
157.10091	10.5
159.08072	7.2
159.11722	5.5
165.09155	9.6
167.08553	12.6
169.10104	21.4
171.08061	7.3
171.10355	2.6
171.11719	11.5
173.09688	4.7
173.11813	4.5
173.13211	3.4
179.08539	6.0
180.09320	3.2
181.10173	7.2
182.10733	2.6
183.08080	2.9
183.11743	6.1
185.09634	3.3
185.13240	11.2
187.11212	3.3
187.14819	20.4
189.11220	37.2
189.12914	3.0
195.08087	3.0
195.11682	12.2
197.09599	3.6
197.13245	23.9
203.14343	4.1
207.11682	3.5
209.13206	4.6
213.12746	15.9
215.14310	100.0
225.12833	3.1
227.12732	26.5
231.13832	7.5
233.13115	2.3
233.15382	5.5
237.12700	3.7
241.12244	5.3
243.13791	2.2
245.13625	3.1
255.13817	5.1
257.15457	2.5
259.13321	3.9
269.15509	3.5
271.16913	8.9
287.16351	2.6
321.22104	2.8
331.20404	3.7
339.23114	10.0
349.21591	20.1
357.24231	3.7
367.22672	53.3
385.23718	24.1
403.24765	7.3
423.25119	3.7
441.26346	48.6
456.27429	2.4
459.27423	69.0
460.27374	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01860	15.7
55.05509	73.6
57.03432	7.7
57.49525	3.0
59.04994	3.3
59.25241	2.8
65.03942	3.4
66.94082	3.3
67.05169	6.1
67.05505	55.3
69.03423	6.4
69.07069	18.2
71.57268	3.1
79.05492	58.7
81.07050	45.6
83.04974	9.1
83.08621	35.8
85.06497	4.7
87.12545	3.0
89.69412	3.3
91.05478	47.3
93.07039	31.8
95.04967	14.4
95.08615	22.6
97.06498	4.8
97.10169	56.0
103.05470	27.5
105.07037	42.3
107.04951	10.1
107.08595	31.9
109.06544	7.0
109.10141	15.8
111.08097	3.1
114.48154	3.4
115.05458	14.6
117.07021	71.8
119.08559	26.3
121.06493	6.3
121.10160	9.0
123.08089	4.4
125.09622	46.9
128.06267	5.6
129.07010	35.0
131.04941	9.1
131.08571	49.5
133.06493	9.6
133.10127	10.6
135.08049	9.9
135.11723	3.5
140.74249	3.5
141.06999	15.9
143.04922	5.0
143.08548	17.7
145.06474	20.2
145.10167	20.2
145.14026	3.3
147.08115	7.5
147.11697	5.2
149.09555	8.5
153.09091	6.7
155.08543	17.4
157.06522	8.0
157.10138	7.8
159.08005	6.3
159.11732	6.2
161.05876	3.4
161.09654	3.2
165.06970	4.6
167.08549	7.0
168.09207	3.4
169.10170	11.2
171.08119	6.0
171.11707	9.2
173.09673	5.8
181.10063	5.1
183.11697	6.1
185.13258	6.8
187.14853	21.1
189.11229	45.4
189.12863	3.1
193.10150	3.6
195.11740	4.7
197.13245	22.8
199.11227	5.7
209.13329	4.6
213.12775	4.6
215.14302	100.0
216.14655	3.2
221.13205	3.6
227.12727	36.4
227.14587	3.5
231.13689	5.1
233.15466	8.4
241.12268	6.4
271.16882	5.4
273.15021	3.8
311.03320	3.1
339.23224	6.6
349.21588	21.7
360.15384	3.4
367.22641	47.3
385.23792	26.9
403.24722	14.5
441.26355	49.9
459.27368	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17631	3.7
52.31636	3.4
53.03944	28.9
55.01861	16.1
55.05495	21.1
56.96547	4.1
57.03439	24.1
60.34318	3.1
61.02925	75.1
63.82974	3.6
65.03936	5.7
67.05173	6.5
67.05500	87.6
69.03426	46.0
69.07065	21.4
70.06590	6.5
71.01345	8.4
71.04981	11.8
71.57484	3.9
71.57937	4.8
72.08167	5.7
72.13972	3.6
73.02906	41.9
79.05489	51.2
81.03415	94.3
81.06584	6.2
81.07052	96.2
83.04986	18.0
83.08610	14.9
84.04494	6.1
84.08166	4.9
85.02899	76.0
85.06529	6.6
86.09690	7.9
91.03949	42.5
91.05474	50.1
93.07037	64.2
95.04961	49.8
95.07985	4.8
95.08594	69.3
95.32023	3.4
97.02883	69.3
97.06509	12.1
97.10153	5.5
99.04429	14.4
99.08099	8.2
101.02363	16.5
103.03922	7.5
103.05463	6.6
105.07032	36.7
107.04953	51.4
107.08598	31.3
109.02885	16.7
109.06515	10.2
109.10146	17.1
111.04433	4.4
111.08081	18.7
115.03873	4.1
115.05449	4.1
117.06987	26.0
119.04951	8.8
119.08573	20.8
120.08103	8.1
121.06493	17.3
121.10115	12.4
123.04424	8.3
123.08046	31.4
123.11669	6.0
125.05930	5.3
125.09594	9.1
127.03915	35.4
129.06989	6.1
131.04901	8.0
131.08557	26.7
133.06467	11.1
133.10115	17.0
135.08040	10.2
135.11697	38.9
136.93877	3.3
137.05937	22.0
137.09624	9.9
141.06996	11.5
143.08568	8.1
145.05133	6.7
145.06473	27.8
145.10132	17.8
147.04398	5.8
147.11668	13.7
149.09511	5.6
149.13254	24.9
151.11101	4.1
157.10098	7.5
159.08054	10.9
159.11679	43.4
161.05988	7.2
161.09673	5.3
163.11101	5.4
165.09125	41.9
167.06900	5.5
169.10117	17.0
173.13173	4.7
177.05444	6.3
177.12750	35.4
183.06506	6.6
185.09451	3.7
187.11172	39.5
193.12328	4.8
195.13803	20.8
205.12234	16.0
223.13293	16.5
241.14322	93.1
242.14810	4.4
279.15906	100.0
297.16977	74.2
299.45364	4.9
321.16959	12.3
325.16348	6.1
349.21707	5.6
367.22858	8.3
370.86310	4.1
385.23627	13.9
441.16092	5.8
459.21710	12.5
459.27408	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44995	1.9
53.03948	3.0
55.01868	4.0
55.05495	4.7
55.76955	2.1
56.05005	2.2
56.39064	2.0
57.03437	3.4
57.07069	2.0
66.92499	1.8
67.05509	15.9
69.03425	16.7
69.07052	10.5
69.53894	17.4
70.02937	6.0
71.04977	5.5
72.08155	1.9
73.02917	2.4
74.20052	1.7
75.70008	2.1
76.11761	1.8
78.75741	1.8
79.05484	5.6
81.03417	12.8
81.07055	16.2
81.29591	2.0
83.04958	5.5
83.08613	3.6
85.02904	25.7
85.06521	4.7
87.00816	8.6
87.05591	5.8
88.03989	2.4
91.05485	10.0
93.07043	14.5
95.04948	4.1
95.08606	32.1
96.04517	3.4
97.02888	11.3
97.06535	2.3
98.21485	4.0
99.04437	6.0
99.08089	5.1
100.11267	2.0
105.01869	7.4
105.07024	8.5
107.04954	2.9
107.08593	18.9
108.04447	5.5
109.02853	10.2
109.06503	4.7
109.10152	55.0
111.08113	2.7
116.43526	2.3
117.01877	2.1
117.06949	2.4
119.08575	33.8
121.10132	9.3
123.08051	9.5
123.11692	6.3
127.03923	17.4
129.07053	2.3
131.08565	2.1
133.06035	2.8
133.10117	45.2
135.11673	53.8
136.11195	4.1
137.09595	20.0
145.04947	5.9
145.10098	3.5
147.11659	2.6
149.13280	2.5
151.11140	5.5
151.14830	4.1
154.12268	5.9
157.10072	2.1
159.02892	3.9
164.10680	4.7
165.16446	2.2
172.13348	9.7
175.13309	3.0
175.14822	54.0
178.12335	3.2
180.13780	13.1
187.10745	2.2
193.15891	46.1
193.17650	3.3
201.62534	1.9
206.11736	28.8
210.11391	2.6
211.16902	32.7
224.12833	16.0
241.15471	4.6
242.13867	4.0
287.16000	100.0
333.74695	2.0
358.38239	2.0
457.92188	2.3
459.22644	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05504	8.8
57.03424	4.3
57.07075	4.6
59.58636	2.9
67.05495	17.1
67.63426	3.1
68.67645	2.7
69.03425	12.4
69.07050	13.0
70.06567	3.1
70.24907	6.1
70.25301	6.5
79.05491	9.7
79.21201	3.2
81.03410	7.0
81.07043	26.4
83.04980	14.3
83.08614	5.7
83.55268	3.2
84.78175	3.7
85.02906	10.9
91.05475	11.0
93.07040	11.8
95.04954	6.5
95.08587	28.0
97.02856	4.5
97.06521	3.3
99.08119	4.2
105.07011	9.9
107.05006	4.4
107.08572	19.6
109.06509	10.5
109.10153	100.0
119.08555	35.6
121.10135	10.1
123.08065	12.9
123.11685	8.1
125.09599	3.8
127.03927	7.6
133.10132	22.2
135.11676	78.5
137.06026	7.2
137.09616	16.9
145.06439	3.7
147.11638	4.6
149.13269	5.1
151.11168	8.2
151.14813	11.2
165.16312	4.0
175.14786	32.5
193.15874	47.7
211.16925	81.3
211.18796	6.6
254.13869	4.1
287.16016	5.4
434.06207	3.5
438.98318	3.4
459.18030	4.2
459.27533	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	458.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	15.0
55.05509	35.5
57.03430	8.9
62.09726	5.5
65.03908	7.8
67.05502	77.8
69.03426	43.3
69.07053	19.9
70.63589	12.7
70.63955	11.3
71.04977	7.4
75.27322	4.9
78.81391	4.9
79.05071	5.8
79.05495	72.8
81.03418	80.7
81.07058	100.0
83.04967	7.5
83.08615	8.5
85.02897	29.9
91.05476	63.2
93.07036	69.3
95.04954	16.5
95.08611	65.7
97.02897	37.7
99.04384	5.7
105.07023	43.2
107.08601	37.9
109.02844	18.5
109.10157	31.7
117.07021	21.9
119.08579	42.6
121.10145	44.3
123.04372	5.9
123.11652	8.3
127.03907	13.0
129.06999	12.4
131.08545	32.7
133.06557	7.0
133.10126	23.4
135.11678	19.6
137.09674	6.0
143.08546	11.7
145.10127	23.7
147.11681	15.0
150.49512	5.5
157.10144	9.3
159.11691	18.2
161.13188	10.5
169.10072	8.4
171.11646	9.5
173.13269	14.8
177.12677	5.9
187.14835	6.7
215.14265	6.5
243.21066	6.5
261.22064	11.0
303.23157	11.6
330.20596	6.3
348.47479	5.8
351.23190	7.0
369.24121	15.7
387.25305	12.1
405.26251	18.9
454.75342	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	458.2531
Annotation	Guan-fu base F
Peak:m/z	Relative Intensity
53.03938	8.6
55.05496	17.3
57.07062	11.8
66.04684	4.3
67.05487	33.0
69.03424	9.6
69.07059	19.2
70.31173	4.2
71.02946	9.3
72.04492	4.3
73.02895	7.4
79.05478	41.7
80.05010	9.0
81.07047	50.5
82.07369	7.8
83.04972	7.4
83.08594	9.7
84.04495	8.0
85.02898	13.4
85.06539	5.2
87.83147	4.9
91.05475	51.4
92.05827	5.2
93.07035	64.9
94.02920	4.8
94.06554	14.2
95.04952	13.6
95.08601	59.7
96.04486	11.8
96.08936	11.4
97.02886	10.8
103.05455	7.1
105.07012	70.6
105.07680	5.1
106.06554	10.1
107.08588	44.2
108.04494	5.2
108.08126	9.6
108.08926	8.7
109.06464	6.0
109.10146	35.4
110.02405	6.7
110.06020	6.3
110.10439	6.1
112.03978	5.5
114.01873	11.7
115.05415	8.9
117.06993	32.3
118.06561	6.4
119.08569	85.3
120.08114	13.5
120.08889	6.3
121.06519	4.3
121.10133	36.2
123.11707	15.1
124.03949	8.3
126.05454	4.7
128.03391	22.3
128.06200	10.7
129.07014	19.2
130.07825	5.6
131.08560	72.4
132.08070	5.0
133.10121	49.1
134.06000	16.6
134.09592	6.6
135.08035	30.1
135.11674	21.1
136.07628	9.4
137.13248	6.8
138.01855	10.1
140.03423	18.1
141.01859	5.4
141.06953	9.1
142.07851	11.2
143.08554	45.2
144.09248	5.9
145.10132	49.9
146.05936	5.6
146.09579	7.4
147.11691	17.5
148.07533	4.8
149.13254	7.8
152.03438	8.7
153.06985	5.2
154.04988	23.8
155.08537	7.2
156.08113	6.6
156.09361	13.2
157.10063	33.1
158.04500	32.0
158.09598	5.3
158.10841	9.8
159.11707	26.8
161.09624	7.3
161.13214	6.3
162.05504	18.4
165.06979	9.3
165.09122	13.8
167.08562	10.3
168.09375	8.5
169.10129	13.4
170.10938	5.3
171.11684	19.9
173.13235	88.1
174.13521	6.1
175.14804	8.6
176.05502	8.0
178.04950	43.9
179.08527	10.4
180.06546	7.5
180.18283	5.3
181.10156	12.2
183.11621	27.4
184.12450	7.0
184.75710	6.0
185.13214	32.9
187.14841	12.0
188.05559	8.4
189.16362	9.4
190.08653	4.8
190.16692	7.0
191.17935	10.9
192.06561	9.6
192.18234	8.4
193.10103	6.2
194.10927	8.2
195.11633	16.8
197.13293	10.7
199.14758	14.1
203.17941	8.2
204.06380	6.5
204.18286	6.6
207.11629	5.5
209.13266	44.1
213.16344	5.2
215.17839	5.5
216.18343	5.6
217.19518	5.6
218.07928	6.2
223.14771	26.5
225.16444	11.1
227.14238	6.3
228.08551	6.7
234.07593	8.9
250.18907	6.2
252.08612	36.5
254.10246	6.3
256.13321	7.9
265.19489	60.7
266.10208	18.2
283.20554	18.4
292.11734	9.3
318.13364	6.2
348.18088	14.1
366.19101	100.0
394.35532	5.6
412.36389	13.3
440.24246	10.5
440.35989	10.8
458.24933	31.8
458.36948	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	457.3668
Annotation	Cladocalol
Peak:m/z	Relative Intensity
53.41400	3.8
55.05499	13.6
57.07067	5.3
60.90844	3.8
67.05499	23.6
69.07066	20.0
69.95014	3.8
70.48667	13.2
79.05495	14.3
80.27249	4.8
81.07056	47.3
83.08617	14.2
91.05462	20.0
93.07026	41.3
95.08052	7.1
95.08601	88.5
97.10172	11.3
101.10294	4.4
105.07028	32.3
107.08588	54.1
109.10147	60.9
111.11661	4.4
117.07016	8.6
119.08580	44.0
121.10136	52.0
123.11695	19.8
130.21715	3.9
131.08565	7.0
133.10150	34.2
135.11681	27.5
137.13235	7.6
145.10146	13.9
147.11700	33.5
149.13264	32.9
151.11217	4.4
159.11653	11.0
161.13286	31.0
163.14822	41.5
164.11299	4.1
173.13268	7.2
175.14841	23.9
177.16353	39.2
179.14287	5.2
187.14795	11.7
189.16376	48.9
191.17957	37.2
201.16353	7.4
203.17879	52.5
205.19565	14.3
207.17453	7.3
215.17917	4.8
217.19455	12.9
221.18999	14.7
229.19540	7.1
231.21065	11.9
249.18419	5.7
315.72586	4.1
393.35123	9.8
411.36200	100.0
412.36710	7.6
439.35864	23.3
457.25415	5.0
457.36545	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84968	1.3
53.03931	3.9
55.01868	2.4
55.05506	3.3
57.03418	1.3
57.07075	1.3
65.03943	2.7
65.09383	1.3
67.05500	10.4
67.16310	1.0
68.01392	1.5
68.05009	1.6
69.03412	4.2
69.07059	6.1
69.41732	2.8
69.42135	11.8
70.06596	1.9
71.04973	1.6
79.05485	16.9
80.05003	4.9
81.07049	13.8
82.06571	5.6
83.05042	1.1
83.08616	1.5
84.04493	2.7
85.02883	4.6
86.06061	2.2
91.05473	31.5
91.06017	2.4
93.07027	18.2
94.02921	4.6
94.06557	5.8
95.04958	14.5
95.08610	8.9
96.04481	5.3
97.02862	2.1
103.05467	3.8
105.07021	46.3
106.06567	3.3
107.04986	2.7
107.07349	1.8
107.08582	15.2
108.04465	3.1
108.08078	2.0
109.06529	2.7
109.10137	10.5
110.02378	2.3
110.06034	12.3
112.03967	3.9
114.01884	5.5
115.05466	5.0
117.07018	25.6
118.06568	1.5
119.08569	46.1
120.08092	3.1
120.08849	1.9
121.06491	2.1
121.10124	20.1
122.06059	2.0
123.11716	1.9
124.03941	3.3
126.05525	8.1
128.03421	7.6
128.06223	8.7
129.06992	11.3
130.06436	1.6
130.06778	1.7
130.07780	20.4
131.07373	2.1
131.08559	32.3
132.08061	3.3
133.10124	25.5
134.05983	6.6
134.09612	1.6
135.08072	2.0
135.11719	2.8
136.03970	1.6
136.07498	2.4
137.09628	1.9
138.01852	4.6
138.05437	2.8
140.03397	12.3
141.06969	2.0
142.07768	4.8
143.08543	42.3
144.08112	2.9
144.09320	4.6
145.06488	3.1
145.10110	100.0
146.09590	3.0
147.11678	5.7
148.07605	1.5
152.03447	2.5
154.04996	10.1
154.75171	1.3
155.08545	3.9
156.09372	3.2
157.08902	2.2
157.10078	12.5
158.04475	8.5
158.09644	4.4
158.10883	2.8
159.10527	2.2
159.11658	8.5
161.09595	3.5
162.05510	6.4
162.09131	2.3
164.07030	2.2
165.07016	2.0
165.09088	1.9
166.05008	2.2
167.08557	3.3
169.10139	4.5
170.04520	1.8
171.11674	7.8
172.07648	1.4
172.11206	3.0
173.13246	29.0
175.11211	1.5
175.14742	2.4
176.05489	2.2
176.07005	1.8
178.04968	23.1
179.08624	3.4
180.06567	3.3
180.09335	1.8
181.10095	4.7
183.11671	5.0
184.11195	2.4
185.13232	4.2
186.09157	4.7
187.14839	3.2
188.05579	6.1
188.07089	2.2
190.08459	2.0
191.14352	2.6
192.06546	3.5
193.10127	1.9
194.10909	3.6
195.11612	6.5
197.13232	3.5
198.09099	1.9
199.14848	2.9
200.10698	4.9
201.16429	1.5
202.12218	1.6
204.06546	2.8
206.08006	2.0
209.13263	10.9
210.07648	2.4
223.14835	3.8
227.14384	1.5
228.08600	19.4
234.07640	2.5
239.17906	1.7
244.09702	2.0
246.11287	6.9
252.08624	28.5
253.19540	1.6
254.10159	3.8
256.13257	1.9
265.19504	14.9
266.10233	4.2
274.14371	8.1
318.13297	6.3
320.14902	22.7
348.17981	24.0
366.19543	4.6
438.04904	1.5
440.24384	21.4
458.25107	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	457.3669
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
51.85399	6.7
55.05495	10.3
55.29630	6.2
67.05490	22.8
69.07052	15.5
79.05476	17.0
81.07051	42.0
83.08578	11.4
86.78901	7.3
88.02213	32.4
91.05448	14.5
93.07066	37.2
95.08601	78.6
102.75743	6.7
105.06999	30.1
107.08576	50.1
109.10149	57.2
119.08554	42.3
121.09456	5.9
121.10154	57.7
123.11687	12.3
133.10123	35.4
135.11710	35.3
147.11691	41.3
149.13234	25.8
159.11642	12.2
161.13185	23.3
163.14780	47.2
166.43040	6.9
173.13261	6.2
175.14804	26.1
177.16374	35.7
179.14293	8.5
187.14786	15.7
189.16418	58.0
189.82220	6.8
191.17993	30.7
194.46449	5.9
201.16397	14.7
203.17944	57.4
205.19516	12.7
207.17598	7.6
213.27057	6.2
217.19456	17.8
221.18953	20.7
231.21146	7.5
266.36456	7.0
393.35144	20.6
411.36185	100.0
412.22919	13.4
439.35547	21.9
457.36536	9.3
469.91989	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	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
51.23399	0.4
55.01865	0.7
57.46594	0.4
67.05475	0.9
69.03407	0.6
70.06570	0.9
71.04992	0.5
71.16010	0.4
71.57218	0.7
73.62451	0.4
79.05496	0.8
79.69500	0.4
80.19463	0.4
81.03429	0.9
81.07040	1.6
83.92278	0.4
84.04511	0.6
85.02883	1.1
86.09713	1.4
91.05452	1.1
93.07034	1.0
95.04945	0.6
95.08588	0.8
97.02871	0.9
97.06541	0.4
98.97633	0.7
99.34565	0.4
102.45325	0.4
105.07039	1.5
108.64248	0.5
109.02882	0.5
109.06509	0.7
114.91878	0.4
117.06949	0.5
119.08567	1.1
120.08875	0.4
121.10138	0.5
121.40148	0.5
123.08055	0.6
127.03904	0.8
131.08537	0.7
133.10136	1.5
133.33032	0.5
135.11737	0.6
136.06172	0.9
147.11647	0.6
151.07506	0.7
159.11754	0.4
173.13307	0.7
191.14320	1.9
203.05223	3.0
212.16383	0.4
236.13785	0.5
274.32123	0.5
275.44592	0.5
277.17728	7.1
282.05038	0.5
295.18799	1.8
369.18732	1.8
371.16956	0.9
439.23630	2.0
457.24072	100.0
458.24387	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	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
55.05508	13.9
56.96548	4.2
57.03428	4.1
57.07069	4.5
65.03933	3.7
67.05489	22.6
69.03407	9.7
69.07060	14.2
69.84399	5.9
69.84810	11.4
70.06581	2.9
79.05500	18.2
81.03411	3.3
81.07051	43.6
81.70615	2.6
83.04960	6.0
83.08617	10.3
85.02882	15.9
91.05457	27.8
93.07030	43.3
95.04977	9.2
95.08601	63.3
95.09612	2.5
97.02866	8.8
97.06513	15.1
97.10143	3.7
103.05456	3.5
104.01869	2.8
105.01839	4.0
105.07034	44.2
107.04952	4.2
107.08587	54.1
109.02873	3.9
109.06510	9.1
109.10152	31.0
111.07362	2.7
111.08082	12.8
116.10718	3.3
117.07032	12.9
119.04913	3.5
119.08573	87.6
120.08869	2.7
121.06503	19.8
121.10130	35.8
123.08061	55.6
123.11684	9.9
124.32031	2.8
125.09616	3.0
127.03907	8.4
129.06972	4.2
131.08563	34.7
133.10118	45.1
135.08026	12.2
135.11696	22.1
137.05980	9.1
137.09624	19.8
137.13255	5.4
143.08548	9.2
145.04944	3.1
145.10098	58.4
147.04414	4.5
147.08032	9.7
147.11691	31.1
149.09644	14.5
149.13234	28.1
151.11212	3.9
155.08562	3.7
157.10130	10.1
158.10779	4.8
159.11678	35.6
161.09576	22.5
161.13281	21.3
163.07510	5.1
163.11147	15.9
163.14799	23.6
165.09111	19.1
165.12785	3.8
171.11639	8.9
173.09465	3.0
173.13257	49.6
175.11148	8.3
175.14816	32.4
177.09053	4.0
177.12756	9.6
177.16365	12.7
183.11687	3.6
185.13264	10.9
187.14813	65.0
189.12704	13.7
189.16362	23.5
191.14296	100.0
191.17888	6.3
193.15886	4.5
197.13216	3.5
199.14812	9.8
201.12517	3.4
201.16373	37.3
203.14272	7.8
203.17914	11.5
205.12305	3.2
205.15854	34.7
209.15129	2.8
213.12758	3.9
213.16386	6.1
215.14369	6.4
215.17943	5.8
219.17357	16.2
221.15359	4.2
227.17906	4.3
229.15756	5.9
229.19411	5.4
233.18974	3.5
247.16841	4.3
299.20313	3.6
375.30429	11.4
393.31488	66.8
395.33023	3.7
411.32513	57.6
414.26196	7.5
421.30850	8.5
439.31860	17.1
457.25916	6.6
457.33075	9.8
458.28845	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61275	2.3
54.92976	2.4
55.01859	5.8
55.05500	6.2
56.96544	3.5
57.03414	5.1
61.02913	3.7
67.05489	7.9
69.03425	30.4
69.07061	16.4
70.00544	11.8
70.06570	5.8
71.04983	5.7
72.08158	3.7
73.02922	3.0
75.00900	2.4
79.05486	13.6
81.03400	8.7
81.07045	16.2
83.04960	9.7
85.02895	17.7
85.06563	2.8
86.09682	8.7
87.00813	6.3
91.05475	11.5
93.07024	19.8
95.04958	5.3
95.08618	11.5
97.02875	9.5
97.06493	6.7
98.38735	2.4
99.04440	4.2
103.05387	2.3
105.01850	4.9
105.07020	14.6
107.04977	4.8
107.08587	22.1
109.02834	6.4
109.06503	4.5
109.10134	6.8
111.08060	5.0
117.06990	5.2
119.04939	2.4
119.08561	10.8
120.08071	2.6
121.06517	11.2
121.10133	15.3
123.08054	7.5
125.06017	4.0
125.09660	5.8
127.03911	11.6
131.08557	8.9
133.10117	9.9
135.08015	10.0
135.11696	5.9
137.05994	8.9
137.09512	2.8
145.04857	2.4
145.10074	9.2
147.04349	3.0
147.07961	3.0
147.11681	29.4
149.06023	3.5
149.09604	5.7
149.13237	9.1
153.09094	3.1
159.02858	3.2
161.09639	4.4
163.11185	5.1
163.14769	2.5
165.09128	6.6
171.11554	2.5
173.13242	15.0
175.03775	2.8
177.05435	4.6
191.14293	100.0
209.07951	3.4
209.15366	54.4
215.10777	2.8
457.20734	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.6
57.03436	3.0
65.44321	2.5
67.05500	5.5
68.65479	2.2
69.03428	9.5
69.07055	2.9
79.05488	9.3
81.03404	5.3
81.07057	12.2
85.02900	9.2
86.09724	2.5
87.00817	3.0
91.05472	10.7
93.07025	6.3
95.04972	7.1
95.08611	5.7
98.21515	10.9
100.94966	2.8
105.07027	8.8
107.04941	4.3
107.08575	20.8
109.02879	4.1
109.06491	4.0
109.10161	7.3
117.07003	3.1
119.08553	7.1
121.06463	3.1
121.10136	11.6
122.07278	3.8
123.08088	2.6
127.03896	4.5
131.08513	5.0
132.05701	2.5
133.10120	100.0
135.08035	8.4
137.09602	50.3
144.67052	2.3
147.04353	5.2
147.11713	2.9
149.13257	10.2
163.03900	4.3
173.13252	7.2
191.14284	47.6
209.15416	7.5
230.54753	3.1
241.89786	2.3
280.12851	2.7
311.29453	2.6
457.16364	7.8
457.24155	3.2
480.31070	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	457.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14571	3.6
51.89203	4.2
56.96555	4.8
70.06590	9.5
71.42046	11.2
72.08136	7.3
77.65563	3.9
85.02880	7.1
92.09719	4.6
98.97559	10.1
114.89335	7.8
116.98633	11.1
132.12933	3.9
152.16194	4.3
177.00488	6.2
185.62077	4.6
219.01747	5.3
237.02757	14.0
333.59988	5.5
372.86655	4.8
389.07501	6.9
406.04907	4.6
409.52872	5.2
413.08472	19.5
457.07224	100.0
457.11798	94.3
471.19806	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01864	6.3
55.05498	6.8
57.03415	4.0
57.07066	5.5
67.05490	11.1
69.03424	30.0
69.07049	5.1
69.41090	23.8
71.04980	10.9
73.02865	6.0
78.33406	3.4
79.05483	13.0
81.03407	24.9
81.07043	18.0
83.04969	7.1
83.08603	4.3
85.02898	40.9
87.00832	17.8
91.05466	7.0
93.07024	13.4
95.04964	18.9
95.08584	11.3
97.02895	15.8
97.06523	11.5
98.21485	6.0
99.04438	11.0
105.01862	10.2
105.07040	16.7
107.08624	15.0
109.02872	19.8
109.06516	57.3
109.10161	15.2
117.06971	3.2
119.08572	11.0
121.10148	19.3
121.99561	3.2
123.08028	18.5
127.03925	38.5
131.08577	16.4
133.10127	45.5
135.08052	32.4
135.11641	3.6
139.11176	10.3
145.04951	8.3
145.10120	7.1
147.07921	3.2
147.11682	11.5
149.09576	22.0
149.13249	8.6
151.07541	5.5
153.09033	6.5
153.80376	3.1
158.10805	5.0
159.02869	7.7
161.09583	3.7
163.14803	3.4
165.12741	10.6
167.14388	2.9
173.13268	34.1
175.11232	4.2
176.11519	7.1
191.14302	100.0
194.02013	3.9
209.04410	13.0
209.15323	34.6
231.04967	6.0
301.14655	3.0
313.33948	3.7
385.97672	2.9
457.23917	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24452	0.6
57.06821	1.2
57.07077	13.0
58.06605	1.9
60.46787	0.6
66.71610	0.7
67.05487	2.4
69.07053	3.2
70.06593	14.5
71.02979	2.4
71.08636	9.9
73.02911	1.0
81.07047	2.8
83.08609	2.1
85.10188	4.0
87.80784	0.7
88.07632	18.9
93.07086	0.8
95.08590	3.4
102.09180	13.7
105.06973	0.8
106.08725	0.8
109.10170	0.9
200.20096	57.0
201.20476	2.1
218.21165	5.5
228.23253	0.9
249.61545	0.9
283.26315	52.2
284.26746	2.3
347.57541	0.8
456.44119	100.0
457.35004	0.9
457.44418	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	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01869	2.5
55.05506	3.1
56.78685	0.8
57.03423	2.6
57.07070	12.7
58.97902	0.9
59.04997	100.0
61.02922	1.2
67.05480	3.3
69.03435	8.4
69.07053	3.1
70.06589	1.5
70.17815	4.9
71.04980	2.0
71.62294	1.0
73.02913	2.2
73.12601	0.9
76.57339	1.0
77.58292	0.8
79.05501	2.7
81.03407	8.0
81.07059	6.3
82.07384	1.8
83.04985	1.3
83.08622	1.6
85.02898	18.0
87.00839	8.0
91.05473	4.3
92.05837	1.0
93.07026	5.7
94.07376	1.2
95.04990	1.6
95.08614	7.8
96.08932	2.5
97.02885	7.4
97.06518	2.1
97.10163	2.0
98.29252	1.0
99.04442	3.9
100.07611	1.2
105.01836	5.6
105.07037	7.4
106.07355	2.0
107.08600	5.1
109.02879	5.6
109.10131	5.7
110.10471	2.0
115.11198	31.0
117.09124	1.2
119.04934	1.4
119.08566	11.2
120.08128	1.9
120.08926	3.6
121.10121	5.2
122.10468	1.9
123.08061	1.3
123.11676	1.3
124.12012	1.0
127.03921	9.5
129.01868	0.9
131.08536	1.5
132.08884	1.1
133.02855	1.0
133.10112	4.2
134.10454	2.0
135.08028	1.1
135.11687	2.4
136.07521	0.9
136.12032	1.8
137.13200	1.1
143.08516	1.1
145.04968	2.7
145.10101	4.4
146.10493	1.8
147.11662	3.5
147.55046	0.8
148.12036	1.9
149.09550	1.1
149.13295	1.9
150.13568	1.6
159.02902	2.3
159.11731	2.6
160.12042	1.2
161.13309	1.9
162.13530	2.0
173.13208	1.6
173.15395	4.5
174.13638	1.1
175.14836	2.0
177.05498	2.8
178.05789	2.1
187.14839	1.0
188.15100	2.1
189.16418	1.8
190.16737	0.9
191.16418	45.3
191.17958	5.1
192.16734	1.8
192.18298	5.5
201.16420	2.4
202.16718	2.1
203.17906	4.8
204.18300	3.8
205.11958	1.2
205.19635	1.0
219.17433	1.5
222.57205	0.9
228.54791	1.0
231.04828	1.4
410.34964	1.5
456.35495	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	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97500	0.6
52.51674	0.6
53.03941	0.9
55.01862	2.9
55.05515	2.4
56.96563	0.7
57.03433	2.0
57.06789	0.9
57.07073	15.3
59.04998	100.0
59.67624	0.6
60.05350	1.0
61.02926	1.9
67.05505	2.0
68.99776	1.0
69.03426	9.8
69.07072	1.7
70.06570	1.0
71.04973	1.1
71.57432	1.1
72.08161	0.8
73.02923	1.3
79.05482	2.2
81.03417	6.4
81.07059	4.8
82.06616	0.8
82.07396	0.8
83.05009	1.0
83.08622	0.9
85.02895	18.5
86.06075	1.9
87.00825	7.1
91.05497	2.1
93.07059	3.1
95.08597	3.3
96.08917	1.1
97.02890	6.5
97.10172	0.9
99.04449	2.4
105.01862	7.3
105.07011	3.6
107.08595	3.2
109.02882	4.9
109.10182	2.1
111.08116	0.8
115.11203	27.1
116.10731	1.5
116.11527	0.7
117.07060	0.7
117.09138	2.8
119.04899	1.0
119.08591	1.8
121.10211	0.9
122.10521	0.7
123.11722	0.9
127.03899	8.0
129.01862	1.0
133.10132	2.1
134.10461	0.8
135.11781	1.1
137.06018	1.1
138.64647	0.8
145.04988	3.1
145.10179	2.0
147.11725	1.1
149.13232	1.5
150.13702	0.7
157.20447	0.8
159.02939	2.7
161.13216	0.8
173.15327	4.6
190.16927	0.8
191.16402	42.0
192.16751	1.1
208.07964	1.8
225.08659	0.7
228.15987	1.0
231.05086	1.1
267.77637	0.9
269.10538	1.0
311.60596	0.8
401.39404	0.9
408.18869	0.8
410.35086	2.4
438.20154	1.0
456.35556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.7
57.07059	4.9
64.38762	2.4
67.05496	24.3
69.07063	23.5
70.70760	7.0
70.71107	2.7
73.75291	2.4
78.27106	2.6
79.05490	18.0
80.67345	2.7
81.07055	49.8
83.08604	11.8
91.05481	19.8
93.07037	44.9
95.04987	3.0
95.08604	73.4
97.10162	8.8
105.06387	4.8
105.07025	53.6
107.08584	60.2
109.06515	5.5
109.10146	45.9
109.24915	2.3
111.08090	13.8
111.11787	2.5
117.07011	7.8
119.08575	100.0
121.10133	42.2
123.11700	21.1
125.09618	3.4
128.06244	3.2
131.08566	19.8
133.10121	43.8
135.11694	30.8
137.13228	7.6
143.08517	7.1
145.10117	34.4
147.07883	2.9
147.11674	47.2
149.13245	38.6
150.74057	2.7
157.10149	8.0
159.11685	28.7
160.12291	3.2
161.13243	36.9
161.22240	2.8
163.11234	3.3
163.14798	13.9
169.09906	2.8
171.11652	6.8
173.13208	17.6
175.14784	20.7
177.16362	15.2
185.13286	4.3
187.14761	13.5
189.16370	35.7
191.14273	3.6
191.17934	63.5
192.18080	2.6
199.14822	6.1
201.16388	40.1
203.17929	60.5
205.15854	14.8
205.19522	14.8
207.17392	5.0
213.16351	6.6
215.18002	9.3
217.15846	3.4
217.19453	18.4
219.17474	16.7
221.19017	2.9
229.05476	2.8
231.17455	4.5
231.20856	2.9
233.15271	3.0
245.22691	5.9
247.16954	10.3
249.18532	4.1
251.16380	3.0
259.20309	3.8
265.18054	5.5
287.83786	2.6
316.95685	3.0
391.33435	6.5
409.34592	28.8
437.34018	8.7
455.35315	29.9
456.16577	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05518	13.6
55.34895	1.9
57.07061	6.2
60.99854	2.4
67.05503	19.4
69.03418	2.9
69.07068	18.2
69.88633	2.2
70.32674	4.6
70.33072	4.2
79.05491	14.4
81.07056	37.4
81.58247	1.9
83.08622	9.6
85.02905	3.1
91.05483	17.1
93.07045	28.7
95.04955	3.4
95.08608	57.4
97.10171	3.1
98.20872	2.1
105.07037	43.7
107.08593	49.8
109.10160	30.1
112.96127	2.2
117.07013	5.6
118.92480	2.4
119.08582	79.0
121.10159	35.0
123.11684	14.9
125.09663	4.0
128.06189	2.2
129.07024	2.6
131.08568	19.0
133.10133	36.6
135.08098	2.7
135.11691	28.4
137.13260	7.4
143.08559	4.7
145.10118	32.0
147.11696	30.4
149.05997	2.6
149.09641	2.7
149.13275	13.1
153.09077	2.5
157.10106	8.0
159.08163	3.4
159.11693	24.7
161.13239	19.0
163.07576	5.0
163.11169	2.3
163.14806	7.6
165.09106	3.1
171.11740	3.4
173.13263	15.1
175.14825	14.7
177.09055	4.0
177.16383	7.2
183.11586	2.8
187.11263	3.0
187.14830	21.2
189.16370	21.2
191.10651	4.3
191.17957	100.0
199.14848	7.5
201.16403	56.5
203.17964	39.9
205.15901	2.5
205.19518	8.7
211.14919	2.8
213.16350	3.7
217.19505	8.9
219.17520	13.3
227.18060	3.1
229.15962	4.7
233.15384	4.8
243.21111	2.6
245.15401	3.1
245.22580	3.3
247.16962	15.9
255.21088	2.3
265.18024	2.3
391.33517	2.8
409.34528	5.6
423.57773	2.4
437.34061	8.5
455.35312	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01873	1.7
55.05504	19.2
57.07067	5.1
59.56887	1.2
62.57550	1.1
67.05501	30.3
69.03413	3.5
69.07063	23.9
69.96075	5.3
71.04997	2.6
71.08631	2.1
73.02892	1.4
73.06550	1.5
77.03921	1.8
79.05486	24.8
81.03394	1.8
81.07050	66.5
83.04968	2.6
83.08620	15.3
85.02910	4.3
85.06529	1.7
91.05474	27.0
93.07038	47.3
95.04958	6.9
95.08601	100.0
97.02879	1.9
97.06537	2.6
97.10174	5.1
103.05493	1.5
105.07026	72.9
107.05001	1.6
107.08590	69.4
109.06539	7.3
109.10149	52.9
109.10904	1.4
111.08077	31.9
111.11707	1.7
115.05509	2.1
116.98548	1.4
117.07016	6.4
119.04916	1.5
119.08574	78.7
121.06545	2.7
121.10139	58.0
122.10605	1.6
123.08063	4.2
123.11698	21.4
125.06091	1.2
125.09652	4.3
126.60818	1.2
128.06203	1.6
129.07010	3.7
130.07841	1.6
131.08554	25.6
133.10129	45.3
134.10443	1.7
135.08057	3.9
135.11679	36.0
137.09615	4.0
137.13283	6.8
139.11243	1.6
142.07779	2.0
143.08562	7.9
143.09528	1.4
144.09341	3.4
145.10114	47.0
147.08041	4.4
147.11679	65.7
149.09607	3.7
149.13246	43.6
151.07571	2.7
151.11198	2.1
153.09129	5.5
157.10114	12.4
158.10936	1.3
159.08127	1.8
159.11685	34.7
160.12430	1.8
161.09642	4.3
161.13255	43.7
163.07567	2.1
163.11151	9.1
163.14812	25.5
165.09105	2.6
165.12793	1.5
169.10184	2.5
171.11707	6.5
173.09641	1.9
173.11784	2.7
173.13234	24.1
175.11230	4.0
175.14813	26.2
177.09200	1.8
177.12834	2.9
177.16386	31.5
177.17838	2.7
179.14340	3.7
180.60461	1.2
183.11674	1.8
184.12454	1.5
185.13277	5.3
187.14798	23.7
189.12779	4.7
189.16371	57.7
191.10648	1.9
191.16191	2.5
191.17932	50.0
191.19595	2.7
193.15953	1.5
199.14806	7.6
201.16370	48.6
203.14319	3.8
203.17947	58.9
205.15892	14.7
205.19501	15.0
207.13768	1.8
207.17412	10.0
211.14804	2.0
213.16333	7.2
215.14503	1.5
215.17957	13.0
217.15909	4.4
217.19469	7.9
219.17416	14.9
221.15344	1.6
221.19020	3.5
229.16003	3.0
229.19511	3.3
231.17426	8.3
231.21098	2.3
233.15398	5.2
233.19067	2.9
235.16965	5.9
239.17879	1.8
241.19560	2.7
243.21022	2.5
245.22623	5.7
247.16943	11.8
249.18445	8.8
255.21065	2.2
265.18155	1.3
310.62082	1.5
321.18271	1.4
351.30722	2.3
391.33505	8.3
397.30966	5.7
398.31198	1.9
409.34659	56.8
409.40237	2.8
410.35068	2.6
417.22183	1.4
419.33041	1.9
425.34113	2.9
427.35617	2.2
437.34171	18.1
455.28955	2.1
455.35248	29.4
456.35825	1.7
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
53.03936	4.1
55.05495	13.8
57.07062	7.8
62.34766	2.4
67.05497	30.8
67.25312	2.0
69.07067	20.0
69.52498	2.2
69.52797	21.4
79.05489	22.7
79.68228	2.8
81.07052	66.7
83.08587	9.1
91.05461	20.1
93.06474	4.5
93.07038	52.5
95.04977	3.9
95.08602	100.0
97.10132	8.6
105.07021	65.3
107.08586	68.7
109.06487	7.5
109.10151	57.1
111.08076	28.3
111.11687	4.0
112.74262	2.3
117.07014	8.3
119.08580	72.3
121.10136	60.0
123.11691	24.2
125.09540	2.9
129.06984	2.9
131.08566	21.4
133.10127	46.1
135.08006	3.4
135.11682	41.9
137.09592	4.3
137.13239	9.6
138.24283	2.3
143.08549	6.8
145.10104	45.7
147.10500	4.0
147.11679	74.7
149.09610	4.8
149.13249	51.3
151.11157	3.8
153.09125	2.9
157.10100	7.5
159.11676	41.8
161.09644	3.5
161.13239	41.0
163.11151	8.0
163.14822	28.3
171.11687	7.3
173.13226	24.6
175.14792	30.2
177.12779	2.4
177.16385	35.0
185.13324	5.1
187.14777	25.9
189.12714	4.6
189.16368	49.6
191.17924	54.5
199.14836	9.3
201.16354	57.0
203.14294	5.6
203.17940	67.5
205.15855	13.0
205.19482	16.4
207.17378	14.3
213.16423	9.3
215.17926	10.0
217.15891	3.6
217.19458	10.0
219.17404	14.7
229.19308	2.7
231.17393	6.4
233.15317	7.3
233.18947	2.7
235.16896	6.7
241.19543	3.2
245.22708	6.1
247.16956	14.8
249.18452	9.9
350.15674	2.7
391.33609	8.2
397.31009	6.4
409.34601	67.3
427.81036	2.4
437.33902	14.1
455.35159	38.6
482.98318	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.1
56.05777	2.1
57.07073	2.0
65.03928	2.4
67.05507	23.0
68.72812	1.9
69.07061	20.4
69.30938	17.7
69.31342	3.3
72.08159	2.4
72.23321	1.9
73.63474	1.8
75.78745	1.9
79.05486	19.4
81.07052	46.5
83.08619	7.6
86.09686	2.6
86.22710	1.9
88.92226	2.2
91.05460	19.7
93.07034	35.1
95.04974	3.1
95.08600	76.4
97.10165	7.0
105.07029	49.3
107.08589	56.8
108.08927	2.3
109.06501	4.8
109.10153	39.8
111.08060	14.8
111.08755	2.2
117.07035	6.3
119.08574	100.0
121.10133	40.1
123.08110	2.6
123.11691	16.2
125.09682	2.4
129.06976	2.1
130.07805	2.3
131.08575	19.2
133.10133	42.9
135.11673	32.1
137.13266	7.1
143.08539	3.9
145.10127	38.1
147.08078	2.5
147.11685	43.1
149.09665	2.8
149.13234	38.6
157.10121	5.6
159.11659	25.9
161.09651	3.7
161.13246	32.2
163.07562	3.0
163.11180	3.7
163.14784	16.5
171.11681	4.1
173.13293	16.6
175.14809	22.8
177.16382	17.5
179.10722	2.9
179.14177	3.0
185.13228	2.4
187.14784	17.5
189.12733	3.0
189.16374	41.2
191.10683	2.3
191.17926	71.0
199.14871	7.1
201.16360	36.8
203.14368	2.9
203.17937	53.3
205.15852	14.8
205.19484	20.3
207.17435	6.8
213.16319	2.8
215.17952	7.5
217.15929	4.8
217.19400	11.4
219.17427	21.9
221.15385	4.2
229.19608	2.2
231.17409	4.9
235.16924	5.8
241.19557	2.7
241.55695	2.6
243.21069	2.9
245.22656	7.9
247.16946	8.4
249.18480	4.6
265.17969	4.9
271.20901	2.8
351.30331	3.2
391.33569	7.8
397.30978	5.8
409.34653	45.1
437.34183	11.9
455.35223	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75109	2.4
53.03939	2.8
55.05507	15.7
57.07074	5.0
63.01402	2.3
67.05502	19.2
69.07059	18.9
70.90967	7.5
71.04990	5.3
79.05495	16.8
81.07058	46.0
83.08627	12.2
85.02910	3.7
91.05476	19.6
93.07041	37.6
93.07616	3.0
95.04968	3.9
95.08604	67.2
97.06498	2.9
97.10144	3.8
105.07027	50.2
107.08588	55.9
109.10155	37.4
117.07011	10.5
118.79394	2.5
119.08580	100.0
121.06443	2.4
121.10151	38.1
123.11727	17.0
131.08566	23.0
133.10123	35.3
135.11685	33.7
137.13245	7.1
143.08517	4.0
145.10107	32.2
147.11688	34.9
149.13252	20.0
151.14819	2.5
157.10141	5.2
159.11693	30.5
161.13239	27.8
163.07539	5.8
163.11121	3.2
163.14819	9.3
171.11684	3.7
173.13258	14.9
175.14822	18.5
177.05498	5.3
177.16376	8.6
179.14323	2.5
185.13301	3.1
187.14786	11.9
189.16399	29.2
191.17944	98.7
192.18326	2.3
197.13200	2.6
199.14726	5.6
201.16406	42.8
203.17944	48.8
205.15892	7.0
205.19530	10.6
213.16318	2.6
217.16003	3.3
217.19496	19.6
219.17442	23.2
219.20924	3.1
229.15839	3.5
231.17395	3.0
231.21043	3.6
233.15366	4.9
235.16885	3.2
245.15321	3.4
245.22594	5.4
247.16978	10.0
251.16470	4.9
263.16238	2.7
265.18042	7.9
409.34723	11.2
417.15521	2.4
437.34149	6.6
455.35208	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	455.3514
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
53.03946	1.6
55.05510	9.5
56.96568	2.5
57.07072	3.7
59.03065	1.1
67.05495	14.3
69.07056	13.1
69.62855	5.4
69.63277	3.2
71.04983	1.1
79.05484	9.9
81.03400	1.7
81.07052	31.1
83.08597	6.5
85.02903	2.1
91.05458	13.1
91.06353	1.2
92.26260	1.1
93.07034	25.4
95.04952	2.5
95.08597	44.7
97.10170	3.3
98.21501	1.5
105.07013	32.8
105.07680	2.2
107.08582	36.5
109.06519	4.6
109.10138	19.2
111.08071	2.9
117.07014	4.5
119.08570	39.7
121.10129	23.6
123.08064	3.9
123.11684	9.2
129.07002	1.3
131.08562	8.9
133.10109	28.8
135.11679	26.4
137.09605	1.6
137.13248	7.7
143.08583	4.4
145.10095	19.7
147.08046	1.7
147.11670	23.4
149.09604	1.8
149.13239	14.9
153.09178	1.5
157.10091	4.5
159.11682	9.8
161.09665	1.6
161.13258	11.1
163.11176	1.6
163.14816	6.9
169.10121	1.9
171.11678	3.1
173.09605	1.7
173.13297	5.6
175.14810	70.3
177.16359	10.8
185.13228	6.4
187.14795	15.4
189.12727	1.6
189.16360	33.4
191.17924	18.7
193.15887	5.2
195.37779	1.2
197.13377	1.7
199.14825	3.7
201.16353	40.3
203.14294	23.7
203.17923	16.3
205.15880	14.5
205.19559	1.2
211.14871	1.6
213.16351	4.7
215.17903	8.9
217.15784	2.1
217.19582	2.3
219.17509	2.4
221.15343	15.0
227.18005	2.6
229.19572	3.3
231.17404	2.8
241.19571	4.2
243.21173	3.5
247.16911	9.4
249.14815	13.1
253.19446	2.9
255.20995	7.0
267.21136	1.5
287.19836	2.0
295.24298	1.6
301.21570	3.9
315.23300	1.4
339.26822	3.3
391.33667	7.3
409.34613	100.0
410.35104	6.4
437.34174	15.6
438.34818	1.3
455.35287	24.6
456.35593	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05508	14.0
57.07071	4.5
64.85321	2.5
67.05505	26.1
69.07065	18.8
79.05492	15.9
81.07058	40.7
83.04938	2.8
83.08619	15.1
91.05479	22.0
93.07039	36.7
95.04982	2.8
95.08601	60.8
97.10151	6.0
104.06104	2.3
104.07328	2.2
105.06384	4.1
105.07025	46.6
107.08593	57.2
109.10155	36.5
111.08060	6.1
117.06992	6.2
119.08579	91.7
121.10146	41.4
123.11713	18.5
125.09629	3.3
128.50941	2.5
129.07062	3.3
131.08560	21.0
133.10130	43.9
135.08009	2.4
135.11693	36.5
137.13260	5.1
143.08543	5.1
145.06491	3.0
145.10126	35.7
147.11688	34.2
149.13274	16.3
157.10106	3.8
159.08051	4.3
159.11684	31.3
161.13272	28.1
163.07573	7.6
163.11157	2.5
163.14813	14.1
167.10695	2.2
171.11655	3.7
173.09630	4.5
173.13219	15.4
175.14792	12.3
177.16405	7.8
183.11728	2.7
185.13164	3.7
187.14813	21.8
189.16373	29.8
191.10663	3.6
191.16190	5.2
191.17940	100.0
192.18297	2.4
199.14885	4.1
201.16377	60.8
203.17949	46.4
205.15834	3.7
205.19548	6.5
213.16248	4.6
215.14366	4.6
215.17944	7.0
217.19429	11.6
219.17435	14.7
229.15872	7.1
229.19463	4.4
233.15385	5.5
238.59593	2.3
245.22568	3.8
247.16948	26.9
265.17896	3.3
269.12433	3.1
329.72430	2.6
391.33585	4.9
409.34637	7.0
414.95001	2.2
437.34222	15.9
455.35385	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	455.3518
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03960	4.7
55.05500	15.8
57.07075	6.7
67.05502	36.2
69.07058	32.6
71.02293	3.9
71.02625	7.6
71.04984	4.6
79.05487	28.7
81.07056	71.1
83.04985	3.8
83.08604	11.9
91.05492	30.0
93.07037	60.3
95.04956	5.5
95.08608	100.0
97.06478	4.2
97.10177	7.3
105.07027	81.6
107.08593	75.4
109.06505	9.8
109.10148	52.3
111.08086	66.3
117.07009	8.6
119.08578	90.5
121.10142	62.4
121.10941	6.5
123.11722	17.2
125.09634	4.5
131.08559	26.0
133.10124	61.3
135.11673	27.3
136.02766	3.5
137.13200	4.6
139.11140	7.7
143.08560	7.7
145.10130	43.6
145.52551	3.5
147.11687	77.9
149.09612	4.8
149.13263	63.0
151.11194	5.1
152.00725	3.5
153.09128	7.9
157.10104	8.7
159.11690	32.9
161.09685	4.8
161.13251	53.1
163.14813	38.4
165.12749	3.6
171.11653	6.1
173.13266	27.2
175.14839	32.5
177.12744	3.3
177.16393	37.4
185.13297	7.2
187.14854	25.5
189.16370	94.6
191.10667	3.9
191.17947	13.0
198.51288	3.2
199.14780	4.3
201.16400	40.0
203.14354	7.1
203.17953	78.1
205.15869	11.9
205.19513	15.7
207.17455	22.6
213.16402	9.7
215.17981	19.3
217.15947	6.1
217.19542	7.4
219.17421	15.2
221.15439	4.8
221.18964	4.6
227.17970	5.2
229.19499	6.2
231.17461	6.4
233.19028	8.5
235.16852	9.2
239.72195	3.4
241.19592	4.5
243.21115	6.3
245.22771	5.5
247.16933	6.1
249.18468	12.6
255.21214	5.9
269.22659	5.2
283.23892	4.0
285.22147	3.4
351.30649	5.2
391.33572	14.1
397.30966	9.9
409.34576	77.7
425.33960	6.8
427.36124	5.6
437.34122	21.5
455.35495	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03949	3.5
55.05506	17.7
57.07050	2.7
65.03912	1.7
67.05501	31.9
67.81877	1.6
69.07062	26.4
69.60036	2.9
69.60449	9.3
71.04977	3.2
73.06551	1.7
79.05484	21.8
81.07052	61.5
83.04954	2.6
83.08616	11.7
83.71722	1.6
85.06522	1.9
90.22808	1.4
91.05474	21.4
93.06544	1.1
93.07035	59.7
95.04974	6.1
95.08600	100.0
96.08889	1.6
97.06557	1.9
97.10175	6.0
98.21506	2.0
105.07024	84.1
107.08588	74.3
109.06512	6.3
109.10149	54.4
110.52029	1.5
111.08078	47.0
111.11713	2.9
117.07021	6.1
119.08573	79.7
121.06466	2.9
121.10136	62.0
123.08050	1.7
123.11700	16.5
125.09615	2.6
129.07018	2.4
130.07751	3.2
131.08568	23.8
133.10126	53.6
134.10431	2.4
135.08069	2.2
135.11684	31.5
137.09607	3.5
137.13258	5.2
139.11182	5.2
143.08563	5.3
144.09325	2.0
145.10103	38.5
147.08092	4.7
147.11676	85.8
148.12000	2.2
149.09601	4.2
149.13248	61.5
150.13597	1.9
151.11195	2.9
153.09105	3.3
157.10146	8.8
159.11679	32.0
161.09627	5.3
161.13255	49.8
163.11194	6.6
163.14812	33.0
163.16103	2.7
165.09120	1.9
165.12758	1.5
167.10736	2.3
171.11623	7.1
173.13243	20.4
175.11113	2.9
175.14807	31.9
177.16382	41.6
185.13264	5.4
187.14799	24.7
189.12859	2.6
189.16359	82.1
190.16682	3.4
191.17934	28.4
192.60356	1.5
193.12157	1.9
193.15872	2.5
199.14827	8.6
201.16345	38.1
202.16647	1.5
203.14352	4.4
203.17935	78.3
204.18181	1.4
205.15878	15.5
205.19502	19.4
207.17429	22.7
213.16306	8.1
215.17961	12.6
217.15921	7.8
217.19511	4.3
219.17413	11.5
221.15494	1.5
221.19060	6.2
227.17896	4.1
229.19479	4.1
231.17451	9.0
231.21107	2.3
233.19052	3.5
235.16931	10.2
241.19530	3.2
243.21143	4.3
245.22639	8.2
247.17035	7.7
247.24387	1.7
249.18465	12.2
255.21059	4.7
261.22076	2.0
269.22617	2.5
295.24094	2.5
301.21576	2.8
315.23093	1.5
326.57809	1.5
349.29025	1.5
351.30502	6.8
353.31775	2.2
381.35410	2.2
391.33707	14.2
397.31055	11.6
409.34631	99.3
410.34839	4.4
425.33878	3.5
427.35718	4.1
437.34146	25.8
455.35172	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05508	20.2
57.20225	5.5
58.90564	4.6
66.05014	7.4
67.05502	28.5
69.07065	21.2
70.71552	5.6
79.05482	29.3
81.07060	75.7
83.08608	10.7
91.05475	22.9
93.07051	55.9
95.08602	92.7
97.10129	5.3
105.07027	76.0
107.08596	67.1
109.06539	6.9
109.10175	50.1
111.08097	44.5
113.79430	4.6
117.06953	6.2
118.15784	5.1
119.08584	59.7
121.10156	63.3
122.74931	5.3
123.11713	13.9
123.81467	5.1
131.08554	25.7
133.10121	45.3
135.11694	29.3
143.08568	7.6
145.10132	47.0
147.11676	89.3
149.09631	6.1
149.13261	52.5
157.10155	11.0
159.11696	32.4
161.13246	58.6
163.11115	9.7
163.13646	5.7
163.14847	30.4
171.11629	9.3
173.13284	22.0
175.14841	32.1
177.16364	38.2
187.14842	15.1
189.16360	66.9
191.17966	19.6
201.16394	32.6
203.14342	10.2
203.17957	75.6
205.15910	17.4
205.19598	18.4
207.17427	21.5
213.16293	6.9
213.23698	5.5
215.18018	16.5
217.15991	10.3
217.19431	7.9
219.17447	13.0
231.17278	7.4
235.16957	9.3
245.22679	6.4
245.70543	5.3
249.18492	14.4
272.84637	5.3
303.26108	5.2
319.08740	5.5
351.30441	7.9
391.33502	12.0
397.30969	12.5
409.34601	100.0
425.33655	4.9
427.35910	6.9
437.34146	17.4
455.35364	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.3
57.07069	4.2
67.05506	19.3
69.07063	13.2
70.52763	13.4
79.05494	17.8
81.07057	45.4
83.08615	7.0
91.05477	18.0
93.07040	42.3
93.68834	4.0
95.04952	5.5
95.08606	74.9
105.07023	62.6
107.08587	53.6
109.10160	47.5
111.08084	47.1
117.06950	5.5
119.08573	67.5
119.09365	5.8
121.10131	38.8
123.11700	14.3
125.47979	4.3
131.08551	24.9
133.10121	44.1
135.11708	23.5
145.10130	39.5
147.11682	74.6
149.13260	53.4
157.10095	5.7
158.10959	4.4
159.11725	28.0
161.13237	46.7
163.11156	5.0
163.14799	26.4
173.13306	21.1
175.14825	25.5
177.16374	35.7
185.13286	4.7
187.14822	17.5
189.16397	63.6
191.17947	16.2
199.14751	6.2
201.16362	21.5
203.14389	4.6
203.17955	71.3
205.15892	16.7
205.19525	15.2
207.17448	17.6
213.16437	7.2
215.18057	9.5
217.19467	6.1
219.17381	6.7
221.18974	5.3
233.18951	5.3
235.16922	6.1
243.20827	5.2
247.17014	5.4
249.18564	10.5
391.33777	10.2
397.31006	11.3
409.29813	3.7
409.34628	100.0
437.33884	8.8
455.35403	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07061	2.2
52.97549	1.9
53.03931	7.7
54.90680	2.3
55.01856	6.8
55.05496	4.8
55.24741	2.1
57.03421	8.8
61.02916	3.7
65.03918	2.5
67.05481	5.9
68.99780	4.2
69.03422	41.6
69.07061	4.4
71.04990	3.1
71.17603	5.3
73.02905	7.0
75.04472	2.7
79.05490	6.1
81.03410	38.6
81.07062	4.6
83.04956	4.1
85.02903	53.9
87.00822	22.2
91.03974	2.3
91.05451	10.8
93.07013	4.5
95.04942	14.7
95.08608	7.3
97.02883	15.1
99.04439	12.9
105.01862	13.0
105.07017	28.2
107.08566	15.0
109.02881	29.5
109.06493	4.4
109.10131	2.4
116.06158	2.3
117.01824	3.2
117.07001	4.2
119.04907	3.7
119.08580	34.8
121.06500	3.6
121.10157	10.5
123.08054	4.3
127.03902	45.7
129.01857	3.9
129.06976	4.7
131.08563	16.9
133.06424	4.7
133.10117	17.1
135.08110	5.0
135.11671	4.3
136.60425	2.4
141.04190	2.1
141.06958	5.3
142.07750	3.6
143.08534	7.4
144.09377	5.0
145.04965	10.7
145.10120	8.3
147.02835	2.2
147.03281	2.2
147.04416	17.8
147.07999	10.5
147.11659	14.1
149.09595	6.1
155.08572	3.1
156.09328	22.3
157.10162	4.2
159.02890	16.7
159.08037	5.6
159.11668	40.0
161.09628	3.9
161.13242	32.9
171.11665	67.1
173.13228	3.6
174.10367	8.3
175.11220	6.5
187.11194	2.5
189.12727	100.0
190.13188	4.2
207.13774	47.0
216.42557	2.5
231.05013	5.8
264.11472	2.5
324.03113	2.3
442.36880	2.2
455.19022	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	455.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.67109	0.5
55.05490	2.0
57.03437	2.4
61.02901	0.7
62.15754	0.4
65.03922	1.9
67.05492	1.9
69.03413	1.2
69.07050	1.1
70.06575	1.1
70.20789	2.2
71.04991	15.2
73.02910	0.6
75.04456	1.0
79.05482	1.5
81.03421	1.1
81.07045	2.5
83.04959	1.8
83.08592	0.7
84.08145	0.5
85.02902	19.9
86.09708	2.5
87.04456	0.5
91.05483	16.5
93.07030	3.4
95.04954	0.9
95.08608	4.2
97.02887	1.9
97.10181	0.7
98.21517	0.5
99.04432	1.0
100.11247	1.3
101.11584	0.7
105.07029	3.5
107.04938	1.1
107.08581	2.1
109.02856	1.3
109.10152	2.1
111.04441	1.5
117.07018	0.8
119.04939	28.1
119.08582	6.6
121.10144	2.3
123.11720	0.9
126.35197	0.4
126.47720	0.4
127.03875	0.9
129.05481	3.1
129.38998	0.4
131.08530	1.1
133.10095	2.6
135.11687	1.9
136.06210	1.2
137.13245	0.5
138.77641	0.4
143.08592	0.8
145.04942	0.6
145.06494	0.4
145.10143	2.8
147.04402	100.0
147.11682	2.0
148.04735	1.7
149.06053	0.6
149.13240	1.4
151.07495	0.6
159.08022	0.7
159.11673	1.4
161.13252	2.0
165.05452	1.3
170.25911	0.5
173.13269	0.7
174.10376	0.9
175.14818	1.1
184.07445	0.8
187.14926	0.6
189.12749	3.4
189.16356	1.5
191.17918	4.5
199.14757	0.7
201.16475	1.6
203.17953	2.1
205.19620	0.5
217.19576	0.5
219.17374	1.2
236.04869	0.5
293.10303	0.7
303.20023	0.4
326.56592	0.5
345.04559	7.6
346.05011	1.5
363.05539	3.7
387.05539	1.1
411.05264	0.7
423.05603	0.8
453.07761	0.5
455.35196	2.8
471.07913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52937	0.6
53.03924	0.8
55.05498	2.7
57.03434	4.8
61.02919	1.1
65.03907	1.5
66.77134	0.6
67.05482	3.1
69.03413	4.5
69.07043	1.8
69.25957	5.8
69.26380	2.0
70.06570	2.8
71.04990	19.0
73.02911	1.1
75.04478	1.2
79.05479	1.9
81.03425	4.4
81.07045	3.2
83.04981	3.5
83.08602	1.0
84.04478	0.7
84.08131	0.9
85.02899	28.4
86.09695	1.8
87.04479	0.8
91.05475	15.4
93.07046	3.4
95.04946	2.0
95.08601	4.4
95.31486	0.7
97.02847	3.9
99.04449	2.2
100.11259	0.9
103.03931	0.8
105.07023	4.6
107.04935	1.3
107.08594	4.0
109.02861	2.1
109.06505	1.6
109.10150	2.4
111.04440	2.5
119.04929	28.0
119.08572	6.2
121.02829	0.7
121.06467	0.9
121.10126	2.8
124.45247	0.8
127.03976	3.3
129.05461	5.6
129.07069	0.9
131.08562	3.7
133.10118	2.8
133.52843	0.6
135.08034	1.4
135.11665	2.2
136.06172	8.8
137.05836	1.1
137.13249	0.8
145.02812	1.3
145.04950	1.3
145.06343	0.8
145.10120	2.4
147.04396	100.0
147.08073	2.0
147.11690	2.2
148.04707	2.3
149.05998	1.4
149.13234	1.6
151.07564	3.8
157.10063	0.7
159.08051	1.1
159.11697	2.2
161.13264	1.8
163.11183	0.9
165.05423	1.5
171.11696	2.0
173.13231	1.1
175.14789	0.7
177.05447	2.0
182.15370	0.9
189.12732	4.7
189.16412	1.0
191.14291	1.5
191.17906	4.6
201.16408	2.7
203.17958	2.2
205.15941	0.8
207.06592	1.1
207.13748	1.9
217.19545	0.9
229.15521	0.8
269.17453	1.1
270.17773	1.7
309.09573	1.3
323.13174	0.8
345.04449	4.8
346.04874	1.4
363.05545	2.3
423.24277	1.5
437.25854	3.5
455.15018	2.0
455.22333	4.1
455.35297	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	455.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52937	0.6
53.03924	0.8
55.05498	2.7
57.03434	4.8
61.02919	1.1
65.03907	1.5
66.77134	0.6
67.05482	3.1
69.03413	4.5
69.07043	1.8
69.25957	5.8
69.26380	2.0
70.06570	2.8
71.04990	19.0
73.02911	1.1
75.04478	1.2
79.05479	1.9
81.03425	4.4
81.07045	3.2
83.04981	3.5
83.08602	1.0
84.04478	0.7
84.08131	0.9
85.02899	28.4
86.09695	1.8
87.04479	0.8
91.05475	15.4
93.07046	3.4
95.04946	2.0
95.08601	4.4
95.31486	0.7
97.02847	3.9
99.04449	2.2
100.11259	0.9
103.03931	0.8
105.07023	4.6
107.04935	1.3
107.08594	4.0
109.02861	2.1
109.06505	1.6
109.10150	2.4
111.04440	2.5
119.04929	28.0
119.08572	6.2
121.02829	0.7
121.06467	0.9
121.10126	2.8
124.45247	0.8
127.03976	3.3
129.05461	5.6
129.07069	0.9
131.08562	3.7
133.10118	2.8
133.52843	0.6
135.08034	1.4
135.11665	2.2
136.06172	8.8
137.05836	1.1
137.13249	0.8
145.02812	1.3
145.04950	1.3
145.06343	0.8
145.10120	2.4
147.04396	100.0
147.08073	2.0
147.11690	2.2
148.04707	2.3
149.05998	1.4
149.13234	1.6
151.07564	3.8
157.10063	0.7
159.08051	1.1
159.11697	2.2
161.13264	1.8
163.11183	0.9
165.05423	1.5
171.11696	2.0
173.13231	1.1
175.14789	0.7
177.05447	2.0
182.15370	0.9
189.12732	4.7
189.16412	1.0
191.14291	1.5
191.17906	4.6
201.16408	2.7
203.17958	2.2
205.15941	0.8
207.06592	1.1
207.13748	1.9
217.19545	0.9
229.15521	0.8
269.17453	1.1
270.17773	1.7
309.09573	1.3
323.13174	0.8
345.04449	4.8
346.04874	1.4
363.05545	2.3
423.24277	1.5
437.25854	3.5
455.15018	2.0
455.22333	4.1
455.35297	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	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05502	2.7
57.03432	4.5
57.07077	25.7
61.58270	0.7
62.06088	24.8
64.51295	0.6
65.34689	0.6
66.58460	0.6
67.05502	5.9
69.07082	3.8
69.37009	5.0
69.37418	1.5
71.08633	15.4
77.54593	0.6
79.05483	1.3
81.03418	0.8
81.07054	8.5
83.08630	3.5
85.10188	8.3
89.06031	0.9
91.05454	0.6
93.07026	1.6
95.08613	8.9
97.10163	2.5
98.98454	6.1
105.07039	0.9
107.08598	0.9
109.10163	4.0
123.11695	1.6
124.01611	1.4
137.13295	0.7
142.02640	0.9
155.01070	7.0
198.05342	2.3
216.06302	3.1
225.08992	1.1
239.23677	1.6
257.93375	0.6
282.27896	11.0
313.27368	100.0
314.27841	3.8
349.15936	0.8
390.67609	0.7
393.23889	4.9
454.33694	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70506	1.8
70.70876	2.4
90.40473	0.9
120.40147	1.1
208.97264	11.8
210.97089	3.5
214.65302	1.0
221.43636	1.0
374.47647	1.1
455.11639	100.0
456.11972	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.35603	3.8
52.87807	3.3
55.01844	3.5
55.05513	30.3
57.03431	6.6
57.07069	6.7
64.58872	3.3
66.03358	3.2
67.05503	39.7
69.03423	7.2
69.07065	32.6
70.33353	8.6
70.33762	10.1
73.76233	3.0
79.05489	38.5
80.69881	3.1
81.03432	5.5
81.07050	74.7
83.04986	4.0
83.08596	20.5
85.02901	7.4
85.06529	3.7
91.05462	39.3
93.07031	65.9
95.04946	13.1
95.08600	100.0
95.80087	3.5
97.02848	4.5
97.06505	6.7
97.10155	10.7
100.11267	7.9
105.07018	80.3
107.08590	87.8
109.06513	10.4
109.10149	61.1
111.04419	5.9
111.08078	8.8
117.06981	10.8
118.26085	4.2
119.04916	6.4
119.08563	92.7
119.09357	6.5
121.06496	7.8
121.10136	59.6
123.08067	10.7
123.11707	16.9
125.09612	5.3
128.06224	3.8
129.07002	6.5
130.07794	4.2
131.08554	32.9
133.10127	70.1
134.10385	4.3
135.08063	10.3
135.11674	40.9
137.05952	5.4
137.09610	8.8
137.13252	7.4
139.33760	3.4
142.07758	6.6
143.08495	17.0
145.10115	57.6
147.11665	53.6
149.09605	6.8
149.13251	29.7
155.08504	5.2
157.10124	23.9
159.07996	3.7
159.11687	33.8
161.09598	11.7
161.13255	34.0
163.11148	8.4
163.14830	21.6
169.10146	12.1
171.11707	17.5
173.13248	39.0
175.11186	10.1
175.14809	43.5
177.08913	3.6
177.12813	5.2
177.16354	30.9
182.15373	6.2
183.11746	8.7
185.13252	17.6
187.14803	41.1
189.12729	9.0
189.16370	70.5
191.14264	4.7
191.17911	37.2
197.13313	4.1
199.14827	25.9
201.16376	49.1
203.14206	9.2
203.16029	5.9
203.17947	73.4
205.15923	22.2
205.19420	5.4
211.14828	7.8
213.16394	11.5
215.14375	4.5
215.18030	10.7
217.15927	24.5
217.19586	4.6
219.17397	14.3
225.16371	7.7
227.17819	8.7
229.15916	5.0
229.19507	4.0
231.17419	7.4
233.19073	4.8
237.16357	4.2
239.17863	6.9
241.19426	4.4
249.18452	7.6
272.19977	7.4
273.18237	4.1
320.19403	4.1
379.33731	4.2
389.31891	11.9
393.71863	3.6
407.33054	84.0
408.33237	6.0
409.34528	14.4
425.34033	8.0
435.32480	31.1
453.33737	47.2
454.25671	14.2
454.34055	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.00713	2.9
53.03965	3.5
55.05506	17.6
56.64982	2.8
58.34857	2.7
59.78439	2.5
65.03938	3.7
67.05499	27.8
69.07055	14.7
69.48380	25.2
71.04977	4.0
79.05487	18.3
81.07051	62.1
83.08630	7.4
91.05458	18.7
93.07037	34.2
95.04949	7.9
95.08610	72.4
97.06524	9.4
104.98227	2.8
105.07028	64.9
105.07690	5.5
107.08583	64.8
108.49255	3.0
109.06503	7.8
109.10149	46.0
110.10295	3.2
111.08070	6.3
117.07006	8.4
119.08569	67.7
121.10130	38.8
123.08112	3.1
123.11704	10.7
129.07034	3.5
131.08560	19.9
133.10121	48.6
135.08067	4.1
135.11700	16.0
137.13173	3.3
142.07790	4.4
143.08592	13.7
144.09381	3.7
145.10114	40.4
147.08110	3.1
147.11671	46.8
149.09642	4.1
149.13237	20.6
151.11282	3.7
153.09076	4.5
154.99738	3.0
157.10088	17.9
159.11702	27.3
161.09583	4.7
161.13229	25.6
163.14806	17.8
169.10104	5.5
171.11684	14.6
173.13268	33.2
173.42020	2.8
175.11221	7.0
175.14804	41.0
177.12779	3.3
177.16356	31.9
183.11699	5.3
185.13257	10.2
187.14796	32.3
188.15175	3.7
189.16362	64.9
190.16753	4.0
191.17961	7.8
193.15912	6.3
197.13228	3.4
199.13287	3.4
199.14772	19.3
201.16368	40.1
203.14351	10.4
203.17946	75.0
205.15828	19.5
207.17552	4.5
211.14832	6.3
213.16389	15.5
215.17973	7.6
217.15825	19.1
219.17473	7.8
221.15387	3.4
225.16454	6.5
227.17906	9.4
229.19485	4.7
231.17438	8.4
233.19063	7.0
235.16859	6.9
239.17973	9.0
241.19510	5.1
243.21014	3.3
245.19005	4.1
247.16904	6.3
249.18515	10.1
257.18991	4.7
259.16873	4.5
279.21048	5.0
281.22653	3.9
293.22623	3.8
313.02451	2.8
317.55414	3.0
330.54385	3.3
342.71774	2.9
389.32056	10.3
407.33051	100.0
408.33389	8.0
425.34070	6.1
435.32657	23.5
453.28775	3.0
453.33691	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	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05504	24.5
67.05502	40.3
69.03428	6.6
69.07066	22.0
70.17695	20.8
77.03901	4.2
79.05492	28.2
81.03423	5.4
81.07058	77.9
83.04990	7.8
83.08575	9.3
91.05476	26.5
93.07043	58.2
95.08606	71.3
97.06504	8.3
105.07024	70.6
107.08588	65.5
109.06517	10.8
109.10159	57.2
109.29234	3.7
111.08076	6.5
117.07027	9.8
119.08581	100.0
121.10124	33.5
123.08099	5.5
123.11665	8.8
128.06210	4.4
129.07008	7.0
131.08534	25.8
133.10138	41.6
135.11690	27.1
141.07054	5.3
142.07809	5.1
143.08553	12.8
145.10120	43.7
147.11684	40.9
149.09540	7.9
149.13277	21.6
155.08495	5.9
156.09317	4.3
157.10141	23.2
158.10944	5.1
159.11684	26.2
161.13261	24.7
163.14842	17.5
169.10188	6.2
171.11722	17.5
173.13225	18.2
175.11186	7.5
175.14828	57.7
177.16400	25.6
183.11656	10.0
185.13232	8.7
187.14822	33.2
189.16364	58.2
191.17928	7.8
197.13364	6.6
199.14859	19.8
201.16385	38.9
203.14346	21.9
203.17950	40.5
205.15900	17.5
207.17436	7.3
213.16403	15.9
215.18007	5.8
217.15968	11.0
219.17427	6.2
221.15341	6.4
225.16408	11.8
227.17966	8.0
231.17511	7.3
239.17903	8.4
241.19571	7.7
247.16933	6.5
249.18605	6.5
251.17982	6.2
253.19513	6.0
281.22595	7.2
389.31830	13.6
407.33139	96.7
408.33389	6.5
425.34152	7.9
435.32352	20.2
453.28055	4.7
453.33746	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.86634	1.5
53.03943	3.2
55.05500	18.6
57.07072	3.8
65.03934	2.8
67.05172	2.9
67.05500	36.4
69.07062	24.2
71.05000	3.7
71.56931	2.3
79.05492	22.9
81.03410	2.6
81.07047	68.2
83.04983	1.8
83.08607	10.1
85.06551	3.2
91.05468	31.1
93.07036	54.9
95.04963	7.2
95.08598	82.4
96.22981	2.0
97.02891	2.0
97.06518	6.1
97.10175	3.1
103.05475	3.7
105.07021	68.9
106.07359	2.6
107.05000	3.0
107.08580	74.0
109.06512	33.7
109.09589	1.1
109.10148	48.3
111.08079	34.6
117.07009	12.0
119.08572	100.0
121.06548	3.1
121.10130	47.4
123.08064	5.6
123.11687	13.8
125.09634	2.4
126.63830	1.7
127.03893	1.8
128.06201	2.5
129.07007	6.4
130.07753	2.7
131.08559	29.1
133.10112	50.2
135.11690	23.8
137.09601	2.5
137.13251	3.6
139.11205	4.4
141.07007	2.6
142.07765	5.1
143.08548	17.8
144.09354	2.3
145.10114	64.8
147.08022	2.4
147.11670	57.4
147.12787	2.8
149.09592	1.9
149.13240	31.8
151.11174	2.7
151.14830	1.9
153.09081	4.7
155.08556	8.0
156.09381	4.2
157.10126	26.9
158.10869	3.2
159.11678	45.8
161.09572	3.5
161.13246	38.5
163.11203	4.9
163.14801	24.1
165.12779	5.5
169.10106	10.0
170.10907	3.1
171.11685	21.4
173.13249	33.5
175.11253	2.1
175.14822	40.8
177.09154	1.7
177.16374	20.0
179.10684	2.2
179.14333	3.0
181.10185	2.6
183.11641	10.1
184.12372	4.0
185.13252	17.5
185.25874	1.7
186.14005	2.1
187.14807	32.2
189.16371	53.5
191.14313	2.3
191.17929	8.3
193.15828	4.8
197.13260	9.2
199.14825	28.1
200.15672	1.9
201.16377	58.5
203.14337	7.5
203.17941	35.8
203.32184	2.0
205.15851	13.2
207.13766	2.1
207.17465	5.6
209.13307	4.9
210.29837	1.7
211.14815	6.7
212.15602	2.5
213.16377	27.8
214.16847	1.9
215.14386	2.7
215.17921	15.3
217.15883	15.5
217.19556	3.6
219.13977	2.1
219.17448	12.9
223.14792	4.0
225.16304	10.1
227.17943	13.9
229.16061	3.2
229.19514	6.0
231.17439	13.6
233.19006	3.6
235.16971	4.9
237.16399	4.8
239.17966	13.2
241.19536	22.3
243.21112	7.0
245.15263	3.4
247.16919	8.8
249.18546	5.2
251.18004	4.2
253.19547	12.2
255.21222	4.6
257.19052	5.0
259.17075	3.3
259.20609	16.0
265.19464	2.4
267.21097	9.4
269.22653	2.5
271.20602	4.4
273.18506	4.1
275.20215	2.0
279.21231	4.2
281.22644	4.0
285.18417	9.2
287.20135	7.3
293.22751	3.2
299.20087	4.7
301.21664	4.3
311.20428	2.3
313.21722	4.2
327.23239	2.3
333.25720	3.0
339.23431	2.1
347.27310	3.1
349.28842	5.6
353.25449	2.0
371.68039	1.8
389.32169	12.1
393.27454	2.7
395.29401	8.6
407.33029	64.1
408.33484	5.5
409.34543	3.8
423.32501	5.0
435.32632	26.3
453.24588	3.6
453.26447	3.2
453.33633	58.9
454.34161	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	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	2.9
55.05513	9.5
57.07072	5.9
67.05502	24.6
69.07068	13.8
69.35390	20.6
71.04993	35.7
79.05499	14.2
81.07054	48.9
82.99008	2.6
83.04992	11.2
83.08606	4.1
85.02901	2.6
85.06537	4.6
91.05479	13.9
93.07043	19.1
95.04986	6.3
95.08608	39.8
97.06537	3.1
97.10145	2.1
105.07033	40.3
107.08600	30.5
109.06516	3.3
109.10163	16.3
114.02859	2.0
117.01028	4.0
117.07013	5.7
117.30730	2.2
119.08588	39.9
121.10152	17.1
123.11723	6.3
128.06223	2.7
129.07021	8.1
131.08569	23.5
133.10130	18.5
135.11684	8.8
137.13274	2.9
142.07823	2.7
143.08578	13.8
145.10124	31.8
147.11661	12.8
149.09621	2.4
149.13263	8.8
155.08607	6.4
157.10103	16.8
159.11661	12.6
161.09679	3.0
161.13277	18.0
163.14824	15.9
165.03177	4.6
169.10088	12.1
171.11678	10.0
173.13254	16.4
175.01558	10.4
175.14822	50.9
177.16385	7.0
181.10094	3.2
183.11703	7.8
185.13278	6.2
187.14815	12.4
189.16338	4.0
191.10449	2.2
193.15878	5.3
195.11749	5.9
197.13211	15.4
199.14850	16.9
201.16440	15.5
205.15971	3.4
207.11729	3.4
209.13226	5.3
211.14845	8.6
213.16409	14.9
215.18027	6.4
217.15851	2.2
219.17482	2.1
223.14839	8.6
225.16389	10.3
227.17899	3.2
235.14877	2.6
237.16425	8.3
239.18027	5.8
241.19431	2.7
241.84724	2.1
243.17470	2.8
245.15332	4.3
249.02878	2.9
251.17943	4.7
257.15527	2.8
259.17126	5.4
263.18045	3.5
265.19595	3.5
271.16989	2.5
273.18378	2.2
277.19470	3.9
279.21115	8.6
283.16824	2.0
287.37509	2.0
291.21085	3.1
293.22614	29.0
295.24268	2.6
299.20142	4.1
309.22314	3.2
325.21793	2.8
331.13086	8.2
331.24188	3.9
339.23193	100.0
363.22897	2.5
381.27872	8.9
387.30545	16.4
389.31970	9.6
395.10049	5.5
405.31458	32.4
407.32986	12.6
433.15424	2.0
433.31125	35.9
451.16687	4.5
451.32098	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3203
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
52.53327	3.5
55.05508	19.4
57.03416	4.4
67.05506	30.9
69.07055	16.0
70.24441	18.9
77.68226	3.1
79.05486	26.6
81.07053	59.4
83.08608	12.4
85.02901	5.0
91.05460	30.7
93.07042	48.3
95.04953	14.9
95.08596	76.5
96.67793	4.3
97.06512	5.8
97.10159	6.1
105.07023	69.9
107.08589	56.5
108.36988	3.7
109.06503	7.9
109.10144	28.9
111.08089	4.6
111.11673	4.1
117.06978	18.0
119.04945	4.4
119.08572	100.0
121.06474	8.5
121.10129	36.0
123.04436	19.1
123.08030	8.4
123.11671	11.3
129.06992	10.1
131.08551	37.8
133.06474	4.4
133.10120	48.4
135.08003	6.1
135.11646	21.5
137.05943	5.2
142.65714	3.3
143.08571	17.9
144.09322	4.3
145.10106	56.9
147.08025	5.1
147.11674	40.0
149.13240	18.5
155.08505	6.8
156.09335	4.0
157.10146	29.9
159.08058	8.3
159.11684	52.3
161.09579	10.2
161.13252	25.5
163.14783	23.8
169.10095	17.7
171.11694	18.2
172.12401	4.0
173.09642	5.9
173.13278	39.5
175.11180	6.6
175.14812	44.9
177.16377	25.2
183.11662	10.2
185.13235	15.2
185.43542	3.7
187.11143	7.8
187.14786	66.4
189.12779	7.7
189.16350	57.8
197.13272	13.6
199.14804	47.9
201.12744	10.4
201.16354	26.2
203.14250	9.9
203.17953	32.8
207.17229	3.8
209.13200	6.3
211.14729	12.2
213.16396	17.0
215.14294	20.2
215.17889	8.6
217.15892	15.0
219.13803	5.6
221.15302	6.1
223.14911	4.3
225.16423	9.2
227.17957	5.3
229.15878	23.8
231.17393	22.1
239.17950	5.3
241.19525	5.3
243.21150	6.0
245.15359	29.0
247.16924	5.7
253.19565	4.0
275.19968	7.2
277.19455	5.0
281.19299	4.7
281.22556	6.0
289.05960	4.0
309.22119	5.4
327.23318	6.7
337.75900	3.7
377.32056	7.1
387.30551	10.1
400.73819	3.6
405.31506	84.0
406.32050	4.4
423.27563	5.1
423.32593	62.6
433.31012	31.5
451.26514	7.9
451.32104	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87381	4.7
53.03938	8.7
55.01859	19.5
55.05506	30.2
57.03418	16.2
57.07054	5.4
61.02917	8.5
64.66708	4.3
67.05505	48.3
68.99775	16.7
69.03078	7.0
69.03424	72.6
69.07081	29.0
69.37677	50.9
70.74339	4.6
71.04990	40.7
73.02917	10.7
76.23342	4.9
79.05484	38.4
81.03409	39.1
81.07049	73.7
83.04974	16.2
83.08595	10.5
85.02905	73.5
87.00832	35.7
88.20407	5.0
91.05465	38.4
93.07024	54.9
95.04977	26.9
95.08595	82.4
97.02879	39.2
97.06504	10.0
98.20695	8.4
99.04454	6.5
99.08112	5.3
103.03941	9.8
103.05484	5.6
105.01840	10.0
105.07027	96.9
107.04948	13.6
107.08592	67.9
107.60153	5.1
109.02861	16.5
109.06502	17.7
109.10153	56.4
111.04420	12.8
111.08099	6.2
115.03927	9.5
117.07005	27.8
119.04919	4.5
119.08569	100.0
120.08078	6.6
121.06480	15.5
121.10142	43.4
123.04384	15.1
123.08057	13.5
123.11700	22.9
125.09641	12.7
127.03876	25.9
127.11192	13.7
128.06198	12.5
129.01863	14.0
129.07004	16.6
130.07750	6.0
131.08559	55.4
133.06471	11.2
133.10133	61.7
135.04420	8.2
135.08051	15.3
135.11693	23.9
136.53973	4.8
137.05978	23.1
137.09555	15.1
137.53011	4.5
141.06947	9.0
142.07791	17.1
143.08556	43.5
144.09349	8.9
145.06493	5.5
145.10127	91.1
147.08052	12.5
147.11665	49.3
149.09633	8.1
149.13275	7.9
151.07500	6.1
153.12715	5.1
155.08510	16.7
156.09297	7.3
157.10114	52.6
158.10861	8.1
159.02826	13.2
159.08054	13.9
159.11705	76.7
161.09615	15.4
161.13228	27.9
163.07549	7.0
163.11226	10.3
165.06958	7.7
167.08562	6.6
169.10098	23.5
170.10869	5.0
171.02850	9.5
171.08009	10.6
171.11685	38.9
172.12308	4.9
173.09511	9.8
173.13266	27.5
175.11229	14.9
175.14825	13.5
177.09088	6.6
177.12694	5.3
178.07797	5.7
181.10080	7.0
183.11682	20.3
185.09651	12.1
185.13202	17.4
187.11148	10.7
187.14830	23.4
189.03885	5.9
189.09013	8.8
189.12744	13.7
189.16388	62.0
191.14403	6.9
193.10181	5.0
195.11630	11.5
197.13271	21.7
199.11346	5.9
199.14793	13.8
201.03935	5.5
201.12740	11.2
201.16385	47.7
203.17966	11.3
205.15703	6.2
207.11674	6.8
209.13300	11.5
213.12738	13.8
213.16325	22.9
215.14243	10.3
215.17928	15.5
217.19495	5.7
219.17517	6.5
223.14813	9.4
225.12724	26.4
225.16330	11.1
227.14169	6.4
227.17882	7.2
231.05014	7.3
231.17410	16.2
241.16057	11.4
243.13782	16.4
243.17459	10.2
245.19035	16.5
257.19061	6.4
265.19418	5.4
269.19019	8.0
287.05478	5.7
288.06030	7.0
289.06033	8.2
293.18936	11.0
311.20145	42.8
329.21054	24.8
347.15024	6.6
347.22018	11.3
365.23264	6.5
407.23944	8.0
415.20984	16.2
433.22083	22.1
451.23257	61.0
451.28915	7.9
478.83667	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34297	4.4
53.03943	9.6
55.01869	21.2
55.05505	20.5
57.03435	12.4
57.07071	6.0
59.39585	4.3
61.02921	9.8
67.05495	43.0
68.99777	12.8
69.03425	68.5
69.07062	31.3
69.44006	19.4
69.44437	23.0
71.04991	33.7
73.02901	14.2
79.05490	28.7
81.03406	52.3
81.07045	59.8
83.04966	14.7
83.08613	10.4
85.02900	76.0
87.00830	34.2
87.04425	5.1
91.05467	46.5
93.07049	43.2
95.04962	30.1
95.08601	72.7
97.02885	37.1
97.06523	12.1
97.10125	5.7
99.04444	14.8
103.03948	10.7
105.01855	13.6
105.07022	85.3
107.04955	12.3
107.08585	57.9
109.02862	32.3
109.06506	13.2
109.10168	52.7
111.04438	9.6
111.08088	6.8
115.03918	13.3
117.01885	4.3
117.07021	21.6
119.08573	100.0
121.06496	21.2
121.10138	47.3
123.04415	11.5
123.08070	14.3
123.11695	26.6
125.09622	5.6
127.03963	31.2
127.11207	15.1
128.06236	12.7
129.01849	9.8
129.07001	17.3
130.07759	5.1
131.04980	5.3
131.08568	61.1
133.06483	11.4
133.10106	59.2
134.10553	4.3
135.08035	11.7
135.11667	26.3
137.05960	12.4
137.09665	5.3
141.05389	7.0
141.07007	5.3
142.07765	8.8
143.08551	40.4
144.09337	5.9
145.04926	6.7
145.06682	4.6
145.10120	87.9
147.02864	4.5
147.08054	9.7
147.11664	57.4
149.09596	5.3
149.13248	9.9
155.08551	14.3
156.09288	5.5
157.10115	49.8
159.02888	12.8
159.08035	11.1
159.11690	78.8
161.09601	13.5
161.13286	24.0
165.06931	6.4
167.08554	5.8
169.10110	22.1
171.08043	9.2
171.11676	37.3
173.09583	12.1
173.13235	35.4
175.11147	13.2
175.14795	15.3
177.09167	4.5
177.16339	7.8
181.10075	7.3
183.11673	22.8
185.09630	8.3
185.13327	21.3
187.11174	16.0
187.14812	39.8
189.12738	13.9
189.16364	56.4
191.10634	8.0
195.11699	12.0
197.13258	16.2
199.14790	13.6
201.03954	4.7
201.12756	10.9
201.16348	41.0
203.17955	19.7
207.11731	9.9
209.13231	6.2
213.12828	5.6
213.16373	19.8
215.14285	8.6
215.17941	16.7
217.12189	5.0
223.14880	9.8
225.12718	17.6
225.16350	8.8
227.14252	7.7
227.17908	11.4
231.17433	13.1
241.15881	11.4
243.13837	11.8
243.17384	8.4
245.18993	14.3
257.18933	7.4
273.20605	9.5
283.20563	5.6
287.20026	6.2
289.05896	7.7
293.19055	10.9
302.48593	4.9
308.92578	4.3
311.20010	31.6
329.20953	22.9
347.22162	9.8
407.24161	7.3
415.21133	9.4
433.22375	18.4
451.23190	87.6
451.29013	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	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16227	0.1
55.01862	0.1
61.12273	0.1
65.03935	0.2
68.99778	0.7
69.03435	0.2
71.33122	0.2
71.33473	0.3
76.81948	0.1
79.05477	0.3
81.03414	0.2
95.04985	0.1
97.02911	0.1
97.65458	0.1
104.99359	0.1
105.03371	0.3
107.04930	0.5
108.07314	0.1
109.02845	0.3
111.00819	0.6
111.04397	0.2
121.02865	3.4
127.03855	0.2
133.02841	0.5
135.04428	0.2
137.02342	0.9
145.06496	0.3
147.04373	0.5
153.01822	4.6
157.06509	0.5
161.05984	0.3
165.01825	2.2
171.04401	0.3
183.02911	1.3
185.05988	0.5
189.05460	0.2
197.06065	0.2
213.05450	1.7
226.94524	0.2
231.06500	0.6
241.04881	1.0
243.06563	0.2
258.05212	1.3
259.05978	0.5
269.04404	0.2
286.04474	0.2
287.05475	100.0
288.02621	0.2
288.05811	3.6
382.00873	0.2
449.10889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.2
55.58994	3.1
57.03440	20.6
57.07071	10.8
58.86969	3.0
67.05501	39.9
69.07072	19.7
70.01247	18.1
71.08624	11.2
79.05486	12.9
81.07056	43.3
83.08610	12.8
85.10175	5.1
91.05480	8.2
93.07043	11.1
95.04958	4.9
95.08603	35.6
97.10183	8.7
98.21447	4.1
98.98457	23.2
105.07029	8.3
107.08596	8.9
109.10133	12.1
113.00019	100.0
119.08430	3.7
123.11726	4.0
133.10078	5.5
135.11699	4.8
137.00021	18.2
137.13284	4.8
149.13232	3.2
155.01015	23.3
169.02625	19.0
187.03641	6.2
193.02528	3.4
211.03674	4.8
245.22528	4.7
263.23706	4.4
313.27515	10.2
337.27347	87.3
351.28082	3.6
356.50226	3.8
449.26620	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04079	0.9
67.00942	1.0
68.64839	0.9
70.23503	0.9
74.51968	0.9
79.88240	0.9
98.21591	2.4
229.71379	1.5
368.72443	1.2
391.02853	1.2
451.04816	100.0
452.05164	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	451.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99744	2.9
70.92581	6.5
85.02908	4.4
87.02309	2.7
89.71886	2.8
100.10859	3.1
199.68881	3.5
207.70221	3.4
281.06970	3.4
391.02423	3.7
451.04880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
53.97048	2.3
55.01861	9.2
55.05507	13.1
57.03427	6.7
57.07066	2.1
61.02922	4.7
67.05502	24.0
68.99786	7.0
69.03427	25.7
69.07069	17.1
71.04993	5.3
73.02912	5.7
76.58488	2.0
79.05483	21.2
81.03420	29.0
81.07053	49.9
82.07395	2.7
83.04974	11.2
83.08607	6.2
85.02903	36.8
85.03381	3.8
85.06532	4.0
87.00836	16.6
91.05479	35.5
93.07037	43.3
95.04961	12.6
95.08606	39.0
97.02891	17.4
97.06521	4.8
97.10169	4.5
99.04463	6.7
103.03956	4.6
103.05490	4.4
105.01851	3.9
105.07030	54.0
107.04984	3.7
107.08585	35.2
109.02893	11.8
109.06509	9.2
109.10154	28.4
111.04472	6.4
111.08067	4.4
115.03941	7.6
115.05518	3.3
116.98523	2.3
117.07032	12.4
119.05007	2.4
119.08572	99.6
120.08106	4.0
121.06536	7.6
121.10138	26.5
123.04435	5.0
123.08077	6.5
123.11720	9.8
125.05972	3.5
125.09667	4.2
127.03885	16.2
129.01794	4.2
129.07004	6.0
131.08566	22.8
133.06520	3.6
133.10138	27.7
135.08064	7.0
135.11682	14.9
135.12581	2.2
137.02307	2.4
137.05991	11.0
137.09642	7.2
141.06990	3.3
142.07759	5.8
143.08572	11.5
144.09319	2.7
145.04936	6.0
145.06483	3.2
145.10106	24.8
147.08087	4.3
147.10500	4.9
147.11679	100.0
149.05946	3.7
149.09677	5.7
149.13255	6.4
151.07564	2.7
151.11203	4.5
154.27472	1.8
155.08549	6.0
156.09325	6.2
157.10109	18.4
159.02928	8.9
159.08060	5.0
159.11688	26.7
161.09602	4.6
161.13208	13.2
163.11212	5.4
163.14821	3.0
165.09174	3.2
167.08569	6.9
168.09052	3.0
169.10146	7.0
171.08078	4.5
171.11694	10.4
173.09593	3.6
173.12004	2.7
173.13255	15.6
175.11186	4.2
175.14792	6.4
181.10156	3.5
183.11655	7.7
185.13284	8.0
187.11206	3.7
187.14818	6.2
189.03970	3.3
189.12708	4.1
189.16415	8.8
197.13290	3.9
199.11137	4.6
199.14847	3.5
201.03952	3.8
201.16377	11.8
203.17926	19.2
210.66826	2.2
211.14917	4.2
213.12889	4.0
213.16408	10.8
215.17973	9.7
219.17400	2.7
223.14845	2.7
225.16451	3.6
227.14354	2.8
227.17874	4.7
229.15919	2.8
231.04976	3.5
231.17487	3.9
239.18022	3.8
243.17427	4.7
245.19058	6.0
255.17609	3.1
257.19049	3.3
287.05719	2.5
288.06088	2.2
289.05978	2.9
293.19077	2.2
311.20129	10.3
329.21182	8.7
347.22342	5.3
365.23734	3.3
405.31668	4.3
415.20956	4.8
433.22076	9.5
449.19754	2.5
451.22818	18.7
451.31924	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	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02930	1.5
68.99794	1.0
69.03413	0.4
69.42596	1.8
73.02907	0.4
79.05496	0.3
81.03398	0.3
84.30729	0.2
85.02896	1.0
89.06886	0.2
91.03943	0.5
95.04945	0.2
97.02898	0.5
102.17451	0.2
105.03394	0.4
107.04948	0.4
109.02882	0.5
111.00797	0.9
121.02869	3.6
133.02858	0.4
137.02325	1.1
145.06482	0.5
147.04413	0.7
153.01834	4.7
157.06485	0.6
163.03871	0.2
165.01825	1.9
171.04440	0.2
183.02872	1.1
185.05869	0.5
186.51822	0.2
189.05472	0.3
203.07127	0.3
213.05461	1.6
231.06537	0.9
241.04936	1.1
258.05246	1.6
259.06033	0.5
287.05481	100.0
288.05847	3.4
299.05447	0.5
329.06442	0.3
449.10654	0.4
465.88184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.26924	0.2
55.96158	0.2
57.03426	0.3
61.02644	0.3
61.02926	4.4
68.99786	1.1
69.03413	0.7
70.85686	0.3
70.86037	0.5
73.02908	1.3
79.05489	0.2
81.03415	0.5
85.02907	3.5
86.42465	0.2
91.03957	2.4
97.02898	1.6
103.05499	0.2
105.03376	0.4
107.04932	0.5
109.02866	0.3
111.00810	0.9
111.04443	0.3
119.35596	0.2
121.02870	3.1
127.03904	0.8
133.02835	0.6
137.02327	1.0
145.06519	0.3
147.04414	0.7
153.01817	5.5
157.06448	0.5
164.54155	0.2
165.01822	2.7
171.04437	0.2
183.02895	0.6
185.05916	0.6
213.05441	1.6
217.05051	0.2
229.05046	0.2
231.06540	0.7
231.44716	0.2
241.04987	0.9
258.05222	1.5
259.06067	0.6
269.04504	0.3
287.05487	100.0
288.05814	3.6
299.05548	0.8
311.05609	0.3
312.67188	0.2
329.06537	0.4
353.06345	0.3
413.09064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02925	3.0
67.01207	0.4
68.99788	1.0
69.03425	1.0
70.70029	0.6
70.70364	0.9
73.02913	1.0
77.44767	0.5
81.03386	0.4
85.02897	3.8
85.83819	0.4
89.66922	0.4
91.03949	2.2
97.02888	1.5
109.02838	0.5
111.00763	1.0
111.04433	0.4
121.02862	4.0
127.03925	0.9
133.02840	0.8
137.02330	1.2
147.04416	1.0
153.01823	4.4
157.06418	0.8
165.01826	2.5
169.04828	0.4
183.02870	0.9
213.05418	2.0
231.06570	0.8
241.04944	1.3
243.08832	1.0
244.09552	1.9
258.05249	1.4
259.06003	1.0
287.05487	100.0
288.05896	3.0
297.05142	0.5
378.15466	0.9
449.17789	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	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01859	1.6
55.05508	1.0
57.03434	0.8
61.02915	0.9
63.93338	0.4
67.05495	0.8
68.99773	1.2
69.03426	3.3
69.07049	0.8
69.54350	3.2
71.04979	0.5
72.29557	0.4
73.02908	1.0
79.05476	1.4
81.03410	2.9
81.07038	1.5
83.04932	0.5
85.02901	8.3
87.00816	2.6
91.03935	0.5
91.05482	2.0
93.07018	1.2
95.04973	0.6
95.08589	0.8
97.02876	4.2
97.06509	0.6
99.04443	1.8
105.01858	3.8
105.07031	7.4
107.04956	0.7
107.08590	2.4
109.02887	3.4
109.10119	0.8
111.00767	0.8
117.07030	0.4
119.08569	5.5
121.02884	2.6
121.06473	0.6
121.10101	0.7
127.03904	6.2
128.11696	0.3
129.06966	0.7
131.08595	0.7
133.02875	0.5
133.10153	0.4
137.02275	1.2
143.06940	0.4
145.04948	2.6
145.10132	0.9
147.04399	0.6
147.07956	0.4
147.11674	8.1
149.02318	0.4
149.13254	0.8
153.01825	4.8
155.25919	0.4
159.02859	2.3
159.11655	0.5
165.01855	2.3
171.04303	0.4
183.02869	1.3
185.06064	0.4
213.05473	1.5
231.04822	0.6
231.06783	0.5
241.04857	0.7
242.32695	0.4
254.98219	0.4
258.05252	1.4
259.05978	0.5
287.05487	100.0
386.15906	0.5
449.11313	0.5
452.12573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97658	0.1
65.03954	0.3
68.99786	0.6
69.41337	0.2
70.90141	0.3
72.04507	0.2
79.05492	0.4
81.03390	0.2
81.36548	0.1
81.71378	0.2
83.04980	0.1
95.04957	0.3
105.03356	0.5
107.04939	0.6
109.02857	0.3
111.00819	1.1
111.04389	0.2
121.02866	3.8
127.03899	0.3
133.02852	0.5
135.04434	0.2
137.02321	0.9
145.06514	0.3
147.04362	0.8
153.01831	5.2
157.06508	0.6
165.01822	2.4
171.04375	0.5
183.02856	1.4
185.05949	0.7
197.06046	0.3
213.05434	1.8
216.13966	0.2
218.05736	0.2
224.02977	0.2
231.06564	1.0
241.04913	0.8
258.05289	1.5
259.05984	0.4
260.12750	0.2
269.04413	0.3
282.15457	0.2
287.05487	100.0
288.05823	3.9
449.10565	0.2
449.19067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.08189	0.1
65.03946	0.2
68.99780	0.9
69.03426	0.2
70.75986	0.4
79.05505	0.2
85.02920	0.2
93.24434	0.1
97.02883	0.1
98.40945	0.1
105.03414	0.5
107.04932	0.5
109.02892	0.3
111.00797	1.1
111.04411	0.2
115.80420	0.1
121.02856	3.5
127.03896	0.2
128.35782	0.1
133.02835	0.8
137.02347	1.3
145.06490	0.3
147.04398	0.8
153.01817	6.0
157.06502	0.7
161.05920	0.3
165.01826	2.5
171.04427	0.3
183.02870	0.9
185.05984	0.9
189.05476	0.2
197.06009	0.1
203.07040	0.2
207.81052	0.1
213.05438	2.0
217.05017	0.2
218.53513	0.1
231.06528	1.0
241.04919	1.3
243.06500	0.3
258.05258	1.5
259.05969	0.7
269.04373	0.2
286.04535	0.2
287.05475	100.0
288.05811	2.8
299.05634	0.2
352.47449	0.1
449.10513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20611	0.9
55.01879	0.9
56.05031	2.6
57.77784	0.7
60.05626	1.8
60.52767	0.7
65.03936	1.0
69.03418	1.4
69.24135	9.3
70.06588	1.5
76.20657	0.7
79.05464	0.7
81.07075	1.3
83.06088	1.5
83.66671	0.7
84.04494	1.4
84.08129	0.9
84.91391	0.9
85.02890	1.5
86.09704	2.3
91.05479	1.0
95.04978	1.1
95.06088	1.1
98.20686	1.2
105.03385	3.1
106.06550	4.1
111.05574	6.0
113.07110	1.3
118.06532	1.4
120.04469	16.0
121.02901	0.8
123.05549	1.1
126.06626	10.8
127.07396	1.0
130.06561	0.7
132.04446	26.1
132.08086	1.2
134.06009	11.0
136.07474	0.9
137.04694	3.2
140.08214	1.1
141.38429	0.8
146.02455	0.9
151.06149	11.7
153.01833	2.7
164.78191	0.8
165.01831	1.1
165.09106	1.4
168.08847	3.2
168.66734	0.8
170.05690	0.9
187.07353	1.4
202.09753	17.2
216.11339	3.6
230.09253	10.1
231.12364	1.1
232.10861	4.1
242.09346	4.3
257.10309	6.4
258.05179	0.8
259.11905	96.2
260.12387	1.6
277.12808	4.5
284.11444	3.6
287.02255	1.0
287.05505	28.9
301.14072	10.8
302.12454	43.9
308.53622	0.8
319.15067	3.4
326.54086	0.8
344.99466	0.8
406.17169	16.5
430.18350	2.2
431.17102	1.8
445.54617	0.9
448.19385	100.0
449.19730	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	447.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.8
57.03416	4.2
57.07074	19.0
67.05497	4.2
69.07056	5.6
71.08629	12.1
81.07067	6.0
83.08633	4.6
85.10178	5.5
88.02197	1.6
91.05779	2.7
92.05302	0.8
95.08595	7.6
97.10173	1.0
101.63431	0.8
109.10121	3.5
123.11707	2.1
134.98177	55.3
152.99214	2.8
164.28412	0.8
176.00815	1.9
178.25731	0.8
191.00642	0.8
208.35117	0.9
209.01781	4.5
239.23586	1.5
313.27356	32.4
314.27499	1.2
335.25473	1.8
353.26529	4.1
415.22064	1.3
429.23862	2.9
447.24789	100.0
448.25247	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	448.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	1.4
56.96561	2.5
60.04522	70.0
65.28303	1.2
69.03407	3.0
70.02931	1.5
70.06584	2.6
72.08151	2.8
73.02883	1.7
74.06083	1.6
78.59172	1.3
84.04487	2.7
84.08133	3.6
85.02897	8.8
86.09699	3.7
88.03991	11.5
97.02875	4.7
98.97535	1.5
106.05022	100.0
107.05441	1.3
116.98598	3.1
120.04422	2.4
126.06593	1.4
127.03944	6.7
129.10219	2.0
132.04460	3.5
134.99640	1.8
145.02928	1.6
145.04980	3.8
146.99649	1.7
147.04390	1.8
177.00697	2.2
180.00740	1.2
198.01527	1.3
202.09805	2.0
219.01776	1.8
221.34897	1.2
225.02344	2.7
230.09024	1.5
240.02173	1.8
259.11938	10.6
287.05505	32.7
302.12521	4.9
385.36487	1.4
390.34113	1.3
406.17230	1.9
448.19458	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
54.32738	1.3
55.01857	5.4
55.05511	14.4
57.03152	1.6
57.03431	23.2
61.02922	56.4
63.88918	1.6
65.03932	2.2
67.05177	2.6
67.05501	31.4
69.03423	27.5
69.07055	16.3
69.25354	14.5
69.25767	3.0
71.01324	6.2
71.04977	7.0
71.34531	1.5
73.02917	27.9
77.26318	1.5
78.45077	1.5
79.05486	20.9
81.03413	20.5
81.07052	98.4
83.04980	9.6
83.05389	1.5
83.08614	10.8
85.02900	57.7
85.06522	6.6
87.04440	4.1
91.03949	32.2
91.05469	29.3
93.07059	13.1
95.04971	4.2
95.08605	19.0
97.02293	2.5
97.02886	45.4
97.06511	5.7
97.22421	1.6
98.20631	1.6
99.04456	10.7
99.08072	4.0
101.02381	13.9
103.03916	6.8
105.07027	45.2
107.08592	16.4
109.02868	14.2
109.06482	6.8
111.73234	1.8
113.05972	2.2
115.03934	4.7
119.07796	2.5
119.08582	33.7
121.09325	2.4
121.10143	27.7
123.08034	4.5
123.11699	38.6
127.03906	23.9
127.06560	1.7
127.07514	5.4
129.05414	3.4
133.10106	3.3
137.05940	2.8
137.13223	3.0
145.04985	7.6
145.10143	3.1
147.11678	100.0
148.12048	2.3
149.09515	1.9
157.10130	2.3
159.06526	1.9
165.12750	67.1
175.11134	4.9
177.19809	1.9
183.06529	5.4
183.13757	9.9
193.12257	6.9
201.07602	4.6
211.13196	3.0
217.33443	1.8
229.14336	23.0
267.15903	26.0
285.07605	3.3
285.16943	62.0
286.17487	2.0
309.17004	3.6
311.10101	3.1
313.16415	3.2
327.18036	2.1
328.11536	2.1
371.12164	3.5
393.18967	3.0
415.11224	7.1
429.21201	3.4
447.21973	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	447.1282
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03948	0.5
55.01866	0.3
57.03430	1.8
59.04972	0.3
61.02694	0.2
61.02924	2.2
66.50618	0.2
67.29956	0.2
69.03425	7.8
70.01830	1.2
71.01362	0.3
71.04964	0.6
73.02900	1.3
79.05470	0.3
81.03417	2.1
85.02901	17.4
87.04435	1.0
91.03946	0.7
91.05479	1.2
91.88052	0.2
95.04936	0.3
95.08594	0.3
97.02882	4.6
99.04469	1.1
101.02393	0.4
103.03938	0.4
105.07042	0.3
109.02879	2.1
111.04417	0.3
115.03911	0.3
119.04926	0.5
121.02833	0.3
123.04417	0.5
127.03905	3.4
132.33952	0.2
135.04356	0.3
145.02841	1.2
145.04942	0.8
153.06940	0.2
159.04341	0.6
161.13165	0.2
163.03914	1.9
167.03400	5.2
168.05672	0.5
169.06442	0.6
183.08043	0.5
186.06772	0.3
188.50781	0.2
193.06554	0.3
197.04358	0.2
197.06017	0.6
201.09114	0.6
211.07510	0.7
214.06210	0.9
224.04668	0.5
225.05429	0.4
226.06357	0.3
229.08592	5.2
239.07001	0.4
241.04814	0.3
242.05719	3.0
242.90286	0.2
252.04329	0.5
255.06593	0.3
257.08063	2.8
267.06470	1.7
268.07285	0.5
269.08148	0.5
270.05136	1.0
283.05865	0.3
285.07550	100.0
286.07864	4.0
309.07639	1.2
327.08554	3.3
351.08722	0.5
447.12820	0.4
447.20984	0.7
461.89648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Glycitin
Peak:m/z	Relative Intensity
50.74533	0.2
53.03930	0.5
55.01864	0.7
55.05486	0.9
55.47713	0.2
57.03433	2.2
61.02928	2.3
65.03937	0.2
67.05479	0.6
69.03426	8.4
69.07057	0.4
69.40389	0.5
69.40812	1.5
70.06602	0.5
70.63985	0.2
71.01337	0.4
71.04989	0.9
71.08628	0.4
73.02924	1.2
74.68640	0.2
79.05500	0.4
81.03412	3.2
81.07065	0.9
82.06580	0.3
83.04975	0.4
83.08611	0.6
84.04509	0.4
84.08123	0.7
85.02901	18.6
86.09701	1.1
87.04460	1.1
88.11259	0.5
91.03931	0.5
91.05443	1.7
93.07021	0.8
94.06545	0.3
95.04958	0.5
95.08607	0.7
97.02893	4.3
97.06522	0.3
98.16466	0.2
99.04446	1.3
100.07588	0.4
100.11255	2.4
101.02357	0.4
103.03928	0.7
105.07032	0.9
107.04969	0.4
107.08585	0.6
108.08142	0.2
109.02876	1.8
109.06516	0.3
109.10123	0.6
110.06033	0.2
111.04428	0.6
115.03953	0.4
116.98613	0.2
117.07006	0.4
119.04906	0.5
119.08552	0.3
120.08076	0.3
121.10114	0.4
122.06031	0.2
123.04394	0.4
123.08114	0.2
127.03908	3.5
128.06169	0.2
128.07080	0.4
129.10199	0.5
131.04903	0.4
131.08530	0.4
132.08083	0.2
133.02802	0.2
133.06509	0.2
133.10139	0.3
135.04417	0.3
137.05949	0.3
137.09602	0.3
141.06978	0.4
145.02863	1.2
145.04956	0.9
145.10092	0.4
147.04340	0.3
148.07553	0.3
149.02309	0.5
151.03870	0.4
151.07590	0.3
159.04393	0.9
163.03891	1.6
163.07613	0.2
167.03400	5.2
168.05684	0.3
169.06505	0.6
170.15321	1.1
173.09593	0.5
173.13176	0.2
177.05507	0.2
179.03410	0.5
182.15416	1.1
183.08060	0.5
184.03680	0.3
186.06673	0.3
188.20164	0.2
196.05238	0.2
197.05986	0.5
198.14882	0.9
201.09056	0.4
209.16444	0.5
210.14897	1.5
211.07558	0.5
214.06290	1.0
215.06944	0.3
224.04655	0.7
226.06229	0.2
227.17558	0.4
229.08586	5.2
237.02657	0.4
239.07002	0.7
242.05725	3.3
252.04080	0.3
254.05785	0.2
255.06468	0.3
257.08063	3.0
257.12848	0.2
266.05878	0.3
267.06442	1.7
268.07275	0.3
269.08038	0.6
270.05307	0.9
285.07553	100.0
286.07935	2.6
309.07501	1.1
326.28049	0.2
327.08597	3.8
335.02954	0.4
351.08600	0.7
361.02499	0.3
375.29437	0.2
447.11545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01857	0.6
57.03429	1.9
61.02927	2.1
65.03951	0.2
65.81239	0.2
66.65605	0.2
69.03426	6.7
69.07076	0.2
69.41108	1.3
69.41520	0.3
71.01333	0.2
71.04974	0.7
73.02916	1.2
81.03413	2.5
81.07074	0.2
83.01308	0.2
84.88532	0.1
85.02902	17.3
87.04467	0.8
91.03940	0.6
91.05468	1.3
93.07036	0.2
95.04945	0.4
97.02891	4.1
98.21527	0.3
99.04460	1.4
99.08043	0.2
101.02366	0.3
103.03938	0.5
105.07071	0.2
107.04954	0.3
107.08613	0.2
107.11312	0.2
109.02898	1.5
111.04406	0.2
115.03902	0.2
115.05478	0.2
119.04973	0.9
119.05886	0.2
119.08516	0.2
123.04429	0.3
125.02349	0.2
127.03918	3.2
129.06956	0.2
135.04391	0.4
141.06978	0.3
145.02859	1.0
145.04924	1.0
147.69475	0.2
149.02325	0.3
150.89374	0.2
151.03934	0.3
158.07295	0.3
159.04427	1.0
160.47961	0.2
161.45612	0.2
162.49426	0.2
163.03915	1.7
167.03397	5.1
168.05756	0.3
169.06444	0.5
173.09608	0.2
179.03343	0.4
181.06522	0.2
183.08026	0.5
186.06676	0.4
187.03946	0.3
196.05235	0.2
197.06004	0.6
198.06699	0.2
201.09100	0.4
211.07516	0.8
214.06256	1.0
224.04688	1.0
225.05484	0.3
226.06229	0.3
227.07109	0.2
229.08598	5.1
230.08992	0.3
239.06995	0.8
242.05763	3.9
252.04202	0.5
253.08607	0.2
257.08072	3.3
267.06525	1.9
268.07227	0.6
269.08032	0.4
270.05170	1.0
285.07553	100.0
286.07880	4.3
286.10895	0.3
309.07678	1.3
321.07614	0.4
323.09128	0.3
327.08600	3.4
351.08563	0.6
403.21823	0.3
447.13358	0.4
447.20880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
53.70838	0.5
55.05503	3.5
56.96547	0.7
57.03431	0.5
57.07053	1.7
61.02919	0.6
63.46309	0.5
67.05499	7.5
69.03415	1.7
69.07068	4.6
69.60444	1.6
69.60873	2.3
71.04953	0.6
71.08629	0.5
73.04711	0.6
75.09978	0.6
79.05479	2.7
81.03376	0.9
81.07050	8.0
82.27433	0.5
83.04974	0.9
83.08602	2.3
84.12572	0.5
85.02924	1.2
91.05353	1.0
91.05781	3.0
93.07024	2.6
95.04942	0.6
95.08596	6.5
97.02885	1.2
97.10181	1.3
98.21546	0.6
99.08061	0.6
105.07016	2.1
107.08571	2.3
109.02859	0.6
109.10152	7.2
111.11723	0.9
117.07045	0.7
119.08562	4.5
121.06471	1.0
121.10136	1.7
122.07266	1.7
123.08069	0.7
123.11692	1.7
127.03976	0.6
131.08537	1.2
133.10109	1.4
135.08009	1.7
135.11668	0.8
136.06184	0.7
136.22589	0.5
137.09602	11.9
138.05577	0.6
145.10114	1.4
147.11662	0.6
149.09612	4.1
149.13155	0.5
151.14746	0.7
152.05696	0.5
153.09180	0.8
154.58736	0.5
157.10117	0.6
159.11641	1.2
163.11237	0.8
165.09103	100.0
166.09457	1.0
167.05527	2.1
173.09531	0.6
177.09047	1.2
179.10616	1.1
187.11224	1.2
189.09056	1.2
190.09880	1.1
191.10684	1.2
203.10701	1.1
205.12216	10.4
219.13675	0.7
225.04228	0.8
247.17064	0.8
279.28766	0.6
293.28281	0.6
304.68222	0.5
359.02756	2.0
427.35593	1.0
445.36688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03936	4.8
55.01867	4.0
55.05267	1.5
55.05511	24.4
57.03421	3.3
62.59013	1.1
62.62963	1.0
65.03931	3.4
66.66238	1.1
67.05502	55.3
67.40008	1.1
69.03423	2.0
69.07061	22.4
69.41350	12.5
71.04989	4.4
79.05490	50.4
81.03421	1.6
81.07056	58.2
83.04967	3.4
83.08607	11.1
85.06534	3.2
91.05469	71.0
93.07040	45.0
95.04973	12.7
95.08606	37.8
95.09065	0.8
97.06517	6.7
97.10158	2.8
98.21528	1.1
99.08102	1.6
103.05463	5.4
105.04498	1.2
105.07024	69.2
107.04937	5.9
107.08596	20.1
109.06525	6.9
109.10149	9.3
111.08095	4.6
115.05419	6.7
117.07017	33.9
119.04912	2.2
119.08578	37.9
121.06499	8.0
121.10112	15.2
121.10770	1.4
123.08081	4.0
128.06181	7.5
129.06992	24.6
130.07780	2.3
131.08565	56.1
133.06483	4.2
133.10129	18.6
135.08054	3.7
135.11687	7.0
137.09628	3.3
141.06978	11.0
142.07835	3.0
143.08562	26.4
145.06503	4.1
145.09038	2.6
145.10121	33.5
147.08047	5.8
147.11656	6.6
149.09639	3.2
149.13213	2.9
153.06979	2.1
154.07797	3.3
155.08549	12.8
156.09306	1.4
157.06599	1.5
157.10127	15.1
159.08072	3.5
159.11694	17.5
161.09651	3.8
161.13287	3.6
163.11143	2.8
167.05528	1.6
167.08559	3.2
168.09415	1.7
169.10120	13.3
170.98125	1.1
171.08047	1.5
171.11688	13.0
173.09613	3.4
173.13240	8.4
175.11160	2.7
175.14841	1.5
177.12738	3.0
179.08539	1.3
181.10059	7.4
183.11685	8.2
185.09662	2.6
185.13208	7.2
187.11140	5.7
187.14847	2.8
189.12820	2.6
191.10689	1.6
193.12170	1.4
195.11719	5.3
197.13303	7.5
199.11166	3.4
199.14882	3.6
201.12885	2.9
201.16434	2.1
205.12361	2.0
207.11536	1.2
209.13235	3.2
211.14819	4.3
213.12810	3.0
213.16479	2.3
215.14378	2.2
217.16006	1.8
219.13809	3.7
223.14806	3.5
225.16370	1.8
227.14343	2.4
233.15375	3.8
237.16403	2.5
241.15878	3.4
243.17601	2.3
247.17024	2.2
255.17538	3.0
257.18973	1.8
259.16980	4.2
261.18494	3.1
273.18530	2.1
275.16254	1.8
275.20074	1.9
287.20248	1.4
307.24323	2.3
325.25220	7.1
335.23596	9.0
343.26273	13.2
353.24753	34.0
354.25058	3.0
371.21326	2.2
371.25821	27.6
378.62347	1.3
389.26859	21.5
417.29767	1.5
427.28302	4.9
427.57645	1.3
445.29504	100.0
446.29794	5.4
458.41650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79789	1.2
53.03933	4.6
54.22677	1.2
55.01865	4.2
55.05507	11.6
56.89484	1.2
57.03436	13.9
59.04977	1.3
61.02893	1.5
65.03937	1.9
67.05502	42.3
69.03426	18.9
69.07058	7.8
70.06583	1.2
71.04989	100.0
71.09639	3.3
73.02925	1.7
79.05489	16.3
81.03417	27.5
81.07050	62.3
81.85905	1.1
82.07365	1.1
83.04972	10.7
83.08605	5.6
85.02889	10.5
85.06541	9.3
86.96285	1.1
87.04464	2.6
91.05415	31.9
93.07038	19.4
95.04958	5.4
95.08601	10.9
97.02882	34.4
97.06534	9.4
99.04443	7.2
99.08087	3.0
103.03931	2.1
105.07022	22.9
107.04951	2.6
107.08598	18.0
109.02872	7.4
109.06505	5.5
109.10139	13.6
111.04428	5.1
111.08059	3.3
117.06999	3.5
119.08566	2.8
121.10152	7.2
123.08054	2.0
123.11694	13.3
125.09639	2.4
127.03912	10.4
127.11176	1.7
129.05457	2.9
129.06989	1.5
131.08534	5.5
133.10118	30.3
135.11679	5.2
137.02318	5.4
137.05931	2.0
147.04384	1.9
147.11664	4.2
149.09631	1.7
149.13268	7.5
151.11179	20.7
157.10129	1.8
159.11662	9.1
161.13295	1.6
163.11237	1.5
165.09065	2.0
165.12694	1.5
167.05545	3.5
167.07057	1.3
169.12230	3.2
171.06517	1.5
173.04468	9.2
175.11160	1.4
177.12726	8.2
179.14304	1.5
183.06488	2.7
183.13789	11.1
187.13293	27.1
193.12300	1.6
195.13733	5.8
201.07610	2.6
201.14838	13.4
201.76611	1.2
207.13733	2.1
213.14815	2.5
225.77943	1.2
241.17940	1.8
243.15953	5.4
257.17462	59.3
267.15854	1.4
269.17380	6.4
283.18994	2.4
301.20096	8.2
335.13681	1.7
339.17917	2.8
359.02774	4.4
395.20691	3.3
413.21756	7.8
445.13214	2.5
445.24649	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	445.2043
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
53.03938	0.7
55.05499	1.1
57.03429	1.2
58.22054	0.4
58.85375	0.4
65.03933	0.5
65.06037	0.4
67.05499	2.3
69.03408	1.5
69.07051	1.4
69.56241	0.5
69.56556	4.1
71.04982	5.7
72.08138	0.6
79.05471	1.7
81.03406	1.9
81.07045	3.8
83.04947	0.6
85.02892	1.1
85.06532	0.6
86.09683	0.7
87.92345	0.6
89.50108	0.5
91.05461	2.0
93.07005	1.7
94.30289	0.4
95.04961	0.8
95.08588	1.3
97.02890	2.4
97.06522	0.7
105.06994	1.6
107.08601	0.7
109.02853	0.8
109.10107	0.8
119.01861	0.5
121.10105	1.1
123.11690	0.6
127.03936	0.8
131.08574	0.6
131.38635	0.5
133.10120	1.7
135.11671	0.6
137.05910	0.7
145.10199	0.4
151.11192	1.5
155.01906	0.6
167.05525	1.3
173.02954	0.8
173.04439	0.7
177.12773	0.7
187.13246	1.4
193.88268	0.5
201.03777	0.8
201.14792	0.9
210.58936	0.5
235.98996	0.5
257.17462	3.3
313.16141	0.9
333.07901	18.7
334.08368	0.7
335.09473	0.9
359.02576	0.8
419.55829	0.5
429.72086	0.5
445.20392	100.0
446.20923	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01850	1.6
55.05502	7.2
55.75223	1.2
57.03431	9.0
57.07073	2.2
65.83694	1.1
67.05502	20.2
69.07071	6.2
69.37989	1.4
70.13076	2.8
70.13468	2.9
71.04990	2.0
79.05489	26.5
81.03410	1.8
81.07053	25.6
83.04952	1.3
83.08616	3.8
85.06537	1.9
91.05462	26.3
93.07040	27.5
95.04987	3.5
95.08604	16.8
97.06527	1.7
103.03944	1.9
105.06382	2.3
105.07027	24.8
107.08582	17.2
109.06573	1.5
109.10168	7.3
113.00013	100.0
117.06979	6.3
119.08575	34.5
121.10144	11.5
123.11736	1.5
129.05453	3.0
129.06955	6.0
130.07834	1.6
131.08553	15.0
133.10117	19.6
135.11696	11.7
143.08572	4.9
145.10118	10.2
147.11679	18.2
149.13254	9.9
152.51404	1.2
155.07062	1.8
156.09296	1.4
157.10107	7.4
159.11682	11.3
161.13249	22.4
163.14796	4.5
167.05621	1.3
169.02588	14.0
171.11707	8.7
173.13304	10.6
175.09792	1.4
175.11192	1.5
175.14815	17.1
185.13269	4.9
187.03679	14.4
187.14809	3.6
189.16389	1.6
199.14828	4.0
213.16394	2.0
215.17953	4.1
217.19514	5.6
231.21051	3.9
241.19505	36.5
242.19899	1.9
243.21062	2.5
259.20560	34.3
260.21176	1.3
277.21536	3.8
315.23111	4.9
333.24213	69.7
334.24442	1.4
375.30991	1.4
427.22714	3.4
445.25171	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	445.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10305	3.5
56.96558	6.5
62.55787	3.7
66.43440	3.6
67.05484	4.5
69.03417	7.3
69.69912	19.6
70.06576	12.0
72.08143	9.3
73.04750	10.6
76.02242	4.8
76.77927	3.4
79.05473	4.1
84.08138	8.5
85.02886	17.1
85.06528	26.9
86.09696	12.9
91.05806	48.4
97.02889	4.3
131.08501	5.0
137.05891	3.9
145.02814	6.4
146.99681	4.1
161.09653	4.2
167.05531	21.4
177.05394	10.2
225.04366	6.3
229.15436	4.4
231.09047	5.0
232.90186	4.1
247.16846	6.4
265.17990	33.5
283.12411	7.1
342.99686	6.2
343.03528	4.4
359.02823	27.0
393.53445	3.9
398.19379	4.5
427.10257	4.5
427.16180	6.2
445.18109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34820	0.7
53.03939	1.4
55.01859	1.1
55.05510	1.8
56.05005	0.8
57.03434	1.6
61.02918	1.8
64.91141	0.7
67.05521	1.7
68.99751	1.0
69.03426	9.2
69.07066	0.8
69.55237	2.7
69.55667	3.0
71.04978	1.3
73.02917	1.1
73.04757	1.3
79.05488	2.8
81.03426	7.2
81.07043	3.4
83.05011	0.8
84.04508	1.2
85.02909	18.9
85.06544	5.0
86.09712	5.6
87.00838	5.6
88.03977	2.3
91.05375	1.6
91.05785	5.3
93.07040	7.8
95.04970	2.3
95.08595	1.6
97.02902	4.6
98.21452	1.5
99.04436	3.0
103.03950	0.8
105.01853	3.2
105.07040	6.9
107.04939	0.8
107.08598	19.3
108.19228	0.7
109.02855	4.7
109.06519	1.7
109.10154	1.6
110.06167	0.8
119.08599	3.7
121.06451	1.9
121.10132	1.5
123.11673	0.9
127.03918	9.8
129.01910	1.0
131.08485	0.8
133.09117	1.2
133.10126	22.1
134.10478	1.1
135.08057	1.2
135.11694	22.5
137.05984	7.1
137.09615	1.8
145.04936	2.0
145.10210	0.8
151.11179	1.7
159.02849	0.9
161.09613	9.8
163.11156	2.9
167.05548	1.4
175.07501	1.4
179.10672	34.7
180.56750	0.8
181.12257	1.4
187.07672	0.8
197.11732	100.0
198.12148	1.6
227.12831	1.7
231.04993	1.8
247.16878	2.2
248.05379	0.7
249.05925	0.8
265.17957	1.5
271.28641	0.8
305.58185	0.7
312.59863	0.7
359.02911	3.3
362.48312	0.8
399.38193	0.8
445.16287	1.0
445.24243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05499	0.5
60.04505	0.4
60.05647	6.4
67.05502	0.6
67.89999	0.4
69.03416	0.7
69.07067	9.3
69.47247	1.4
69.47675	2.2
70.06589	21.5
71.04978	0.8
72.08147	2.1
79.05492	0.7
81.03414	0.7
81.07058	0.7
84.04495	0.5
85.02895	1.2
86.09702	100.0
87.00793	0.4
87.04464	1.1
87.10023	1.0
91.05447	0.5
93.07027	0.9
95.08629	0.8
97.02884	0.5
97.07667	0.7
98.21547	0.8
102.03674	0.4
105.01877	0.6
105.07044	0.7
107.04948	0.5
107.08597	0.6
112.08715	3.4
113.07169	0.9
114.10283	0.9
115.08684	4.1
116.07088	7.3
119.08567	0.6
127.03928	0.5
128.10712	17.3
130.09740	2.6
131.08540	0.4
133.09799	0.6
136.07597	0.5
137.09625	0.5
147.11678	0.7
151.15268	0.4
156.10208	1.2
156.11317	8.1
158.09244	7.2
163.03854	0.4
175.11908	19.2
177.05411	0.6
183.15045	0.5
197.81209	0.6
199.18019	0.5
226.15283	0.4
237.14642	0.7
253.16614	0.5
269.18713	1.1
271.17633	10.3
288.20313	1.1
289.14337	0.7
425.28693	0.4
428.66617	0.4
443.29767	79.9
444.29959	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1124
Annotation	Pseudobaptigenin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03929	0.2
55.05497	0.6
57.03433	0.3
64.84773	0.2
67.05497	1.0
68.99774	0.2
69.03417	0.5
71.04984	1.7
72.08144	0.2
73.04730	0.2
73.80616	0.2
77.98234	0.2
79.05488	0.5
79.05917	0.1
81.03403	0.8
81.07042	1.0
82.50632	0.2
83.04976	0.4
83.08615	0.2
85.02896	0.3
89.03955	0.3
91.05463	0.6
93.07030	0.5
95.08573	0.2
97.02878	0.8
98.21548	0.3
98.52808	0.2
99.04433	0.3
100.11247	0.6
105.07032	0.4
118.37583	0.2
123.11668	0.3
127.03934	0.2
129.07016	0.3
133.10100	0.8
137.02313	0.2
141.06952	1.7
151.11171	0.4
153.07016	0.3
155.04868	0.3
157.06441	0.3
165.09251	0.3
169.06477	2.0
181.06439	0.9
183.04376	1.9
183.13814	0.2
187.13216	0.3
189.47076	0.2
197.05986	4.0
197.11685	0.2
199.07544	0.2
210.14879	0.3
219.01888	0.2
224.04684	0.4
225.05443	22.2
226.05806	0.3
226.19482	0.2
227.06982	1.4
253.04944	20.7
254.05261	0.3
257.17456	0.6
264.92245	0.2
269.17291	0.3
283.05981	100.0
284.06354	1.4
359.02914	0.5
445.24420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76937	2.7
69.03425	4.6
69.07058	7.0
70.06587	40.6
71.56647	4.9
72.08160	3.1
73.04742	7.3
81.03403	5.7
81.07043	4.8
84.04514	4.8
85.02882	8.3
86.09701	67.9
89.03912	9.9
91.05824	23.2
95.04952	3.2
117.03371	29.8
125.62636	3.1
127.03844	3.5
141.01843	3.4
145.02832	48.3
149.05956	6.9
167.05505	9.0
177.05458	100.0
178.05797	5.4
179.03400	5.0
183.14888	6.2
211.14287	4.3
225.04301	4.5
261.09103	4.3
283.06012	3.4
286.17810	4.8
301.07132	5.0
359.02844	13.0
445.20517	10.1
445.26004	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	1.1
55.05502	1.2
57.03421	2.2
61.02914	2.2
61.55917	0.4
62.02197	0.5
67.05486	2.1
68.99779	0.8
69.03431	7.9
69.07058	0.6
70.06580	1.5
70.17339	0.9
70.17747	1.5
71.01315	0.5
71.04987	0.5
72.08167	0.9
73.02896	1.6
73.04742	0.6
79.05493	2.6
81.03415	7.0
81.07070	3.2
83.04980	0.5
85.02905	14.4
85.06545	0.6
86.09695	2.5
87.00826	4.6
91.05427	2.0
91.05804	2.5
93.07041	6.0
94.62039	0.4
95.04949	0.7
95.08582	1.7
97.02895	4.4
97.06509	0.8
99.04461	2.5
103.03951	0.7
103.05456	0.5
105.01876	2.6
105.07035	7.4
107.08591	30.2
109.02883	7.7
109.06509	1.1
109.10136	1.7
117.07008	0.5
119.08574	5.9
121.02962	0.5
121.06538	1.1
121.10135	4.7
123.04410	2.7
123.08057	1.0
123.11709	1.2
125.09612	0.7
127.03911	9.7
127.17752	0.5
129.01785	0.6
131.08598	1.0
133.09111	0.8
133.10127	16.0
135.11636	0.9
137.05978	1.1
137.09604	0.6
139.03946	0.8
139.07535	1.9
143.08553	1.0
145.04959	1.4
145.10156	0.9
147.02933	0.8
147.04449	0.8
149.09589	3.4
151.03903	3.7
151.07524	1.1
151.11186	6.7
153.05507	0.6
159.02856	1.8
161.09613	4.9
165.05534	0.5
167.05545	2.0
167.09314	0.9
167.10670	12.7
173.09590	0.6
177.05450	1.0
177.12849	0.6
179.10667	15.0
197.11725	100.0
198.12033	1.2
201.12370	0.5
211.64813	0.5
213.03877	0.9
225.04434	0.5
231.05008	1.7
271.07199	0.6
275.12790	0.7
285.08432	0.6
293.13660	1.3
303.08768	0.7
359.02814	2.0
427.15921	1.2
445.17172	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	443.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.4
55.01852	4.5
55.05507	13.3
57.03436	11.4
61.02924	21.0
67.05186	1.9
67.05506	30.8
69.03429	24.3
69.07070	11.9
70.06593	2.5
70.28809	1.8
71.04983	4.6
71.56399	2.0
71.56798	2.9
73.02907	14.1
76.27158	1.7
79.05064	3.5
79.05487	39.1
81.03409	24.1
81.07046	29.8
81.79897	1.8
83.04977	9.2
83.08599	4.8
84.04481	1.7
84.08136	5.0
85.02915	26.5
85.06529	2.4
87.04459	5.3
91.03955	9.8
91.05473	30.8
93.06476	3.1
93.07037	43.7
95.04987	13.8
95.08604	20.5
97.02878	23.6
97.06514	5.2
97.10170	3.6
99.04453	8.1
101.02396	5.4
103.03906	2.6
105.07025	28.9
107.04960	6.3
107.08585	12.9
109.02883	13.8
109.06503	6.4
109.10125	8.1
111.04416	2.5
115.03947	2.3
117.06990	9.6
119.07796	2.7
119.08569	17.5
121.06490	4.2
121.10117	9.9
122.06015	1.8
123.08073	5.0
127.03904	17.1
128.06166	3.6
129.06995	11.6
131.08557	8.5
133.06432	2.3
133.10146	9.2
135.08080	2.1
135.11678	2.8
137.05971	5.6
137.09570	4.5
143.08546	8.1
145.04944	2.4
145.06499	2.4
145.10127	7.9
147.04399	2.6
147.11688	22.3
149.09558	2.6
149.13237	3.6
151.03868	2.3
151.07565	2.7
152.03761	2.1
155.08582	3.5
157.10028	2.4
159.07977	3.0
159.11705	2.8
161.09613	3.9
161.13264	8.7
164.37355	1.8
165.09094	23.4
165.12773	2.1
167.07069	4.8
169.10118	2.2
171.02827	2.6
171.11664	18.0
172.03952	4.3
173.09602	2.4
175.07536	4.5
177.05499	2.3
183.11568	2.3
189.12779	7.6
189.16336	2.4
194.11809	3.0
195.13643	5.0
204.06511	4.5
207.13779	15.0
212.12761	2.7
225.06732	2.0
254.13889	10.2
281.17456	18.6
287.16315	3.7
317.16837	5.9
340.12280	2.2
357.18707	9.8
399.15076	1.6
399.19836	55.1
443.18811	100.0
443.27771	4.5
444.18491	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	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03941	4.1
55.01853	6.4
55.05499	7.4
57.03432	7.0
65.03942	3.5
67.05508	14.0
69.03435	3.7
69.07059	4.8
69.42425	9.1
69.42846	8.9
70.06581	3.1
71.01311	2.2
71.04985	9.7
72.05309	2.0
79.05496	14.5
81.03426	10.0
81.07066	14.1
83.04973	3.0
85.02894	9.9
85.06541	2.4
86.35539	1.9
86.99055	2.0
91.05480	21.5
93.07037	13.0
95.01329	6.4
95.04962	8.2
95.08593	6.4
97.02910	4.6
97.06541	2.0
99.04467	2.2
103.05422	3.2
105.03376	6.3
105.07052	12.4
106.03663	2.1
107.04936	6.6
107.08582	7.3
109.02843	3.8
109.06568	3.4
115.05431	8.7
117.07025	10.2
119.04995	3.8
119.08559	8.0
120.01119	2.2
121.02840	5.0
121.06491	3.4
121.10144	4.5
123.04430	5.4
125.09616	2.8
128.06218	5.0
129.05498	2.8
129.07014	6.3
131.04892	3.6
131.08548	9.0
133.06433	4.3
133.10138	7.6
135.04417	4.8
135.08061	3.9
136.07562	3.6
141.07005	3.6
143.08572	2.7
145.06497	6.9
145.10143	4.6
147.04417	7.2
147.08014	2.9
147.11699	5.5
148.07568	3.4
149.02376	5.9
149.06017	2.9
151.03961	3.5
155.08522	2.9
155.85857	2.1
157.06453	3.2
157.10092	5.3
159.04343	2.8
159.07768	4.8
159.11705	3.5
159.53123	2.0
161.05975	5.4
163.03926	5.1
165.01855	3.4
165.09201	3.0
166.07788	2.3
167.03320	2.5
167.07036	9.8
167.08427	3.5
169.10191	2.1
171.04448	3.7
171.08006	2.5
171.11673	3.4
172.03928	3.0
172.23225	2.3
173.05969	5.4
173.09644	4.4
175.03893	6.3
175.07582	4.4
175.11247	2.1
185.06006	4.2
185.09712	2.9
187.07518	3.4
187.11230	5.2
189.05447	6.0
197.01180	2.8
197.04324	2.7
199.07532	2.6
204.06599	4.6
214.67015	2.4
215.10512	3.6
217.05009	2.4
217.12199	2.2
221.04527	7.9
223.11134	2.4
225.08916	3.3
227.10582	4.7
231.10141	3.8
233.11760	8.6
241.12262	2.8
255.10002	2.6
256.30731	2.1
259.13159	3.3
263.04868	7.0
269.11801	8.4
269.17731	2.3
277.10648	15.2
281.05927	4.0
287.05423	3.4
287.12799	10.8
297.11212	6.0
299.41687	2.3
305.13818	7.3
315.12326	25.8
333.13303	100.0
334.13339	3.1
339.12244	9.8
351.14389	6.9
361.02332	8.1
362.02521	3.3
379.03253	3.8
399.18893	2.8
407.16922	5.2
425.17993	25.7
443.18762	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03941	4.1
55.01853	6.4
55.05499	7.4
57.03432	7.0
65.03942	3.5
67.05508	14.0
69.03435	3.7
69.07059	4.8
69.42425	9.1
69.42846	8.9
70.06581	3.1
71.01311	2.2
71.04985	9.7
72.05309	2.0
79.05496	14.5
81.03426	10.0
81.07066	14.1
83.04973	3.0
85.02894	9.9
85.06541	2.4
86.35539	1.9
86.99055	2.0
91.05480	21.5
93.07037	13.0
95.01329	6.4
95.04962	8.2
95.08593	6.4
97.02910	4.6
97.06541	2.0
99.04467	2.2
103.05422	3.2
105.03376	6.3
105.07052	12.4
106.03663	2.1
107.04936	6.6
107.08582	7.3
109.02843	3.8
109.06568	3.4
115.05431	8.7
117.07025	10.2
119.04995	3.8
119.08559	8.0
120.01119	2.2
121.02840	5.0
121.06491	3.4
121.10144	4.5
123.04430	5.4
125.09616	2.8
128.06218	5.0
129.05498	2.8
129.07014	6.3
131.04892	3.6
131.08548	9.0
133.06433	4.3
133.10138	7.6
135.04417	4.8
135.08061	3.9
136.07562	3.6
141.07005	3.6
143.08572	2.7
145.06497	6.9
145.10143	4.6
147.04417	7.2
147.08014	2.9
147.11699	5.5
148.07568	3.4
149.02376	5.9
149.06017	2.9
151.03961	3.5
155.08522	2.9
155.85857	2.1
157.06453	3.2
157.10092	5.3
159.04343	2.8
159.07768	4.8
159.11705	3.5
159.53123	2.0
161.05975	5.4
163.03926	5.1
165.01855	3.4
165.09201	3.0
166.07788	2.3
167.03320	2.5
167.07036	9.8
167.08427	3.5
169.10191	2.1
171.04448	3.7
171.08006	2.5
171.11673	3.4
172.03928	3.0
172.23225	2.3
173.05969	5.4
173.09644	4.4
175.03893	6.3
175.07582	4.4
175.11247	2.1
185.06006	4.2
185.09712	2.9
187.07518	3.4
187.11230	5.2
189.05447	6.0
197.01180	2.8
197.04324	2.7
199.07532	2.6
204.06599	4.6
214.67015	2.4
215.10512	3.6
217.05009	2.4
217.12199	2.2
221.04527	7.9
223.11134	2.4
225.08916	3.3
227.10582	4.7
231.10141	3.8
233.11760	8.6
241.12262	2.8
255.10002	2.6
256.30731	2.1
259.13159	3.3
263.04868	7.0
269.11801	8.4
269.17731	2.3
277.10648	15.2
281.05927	4.0
287.05423	3.4
287.12799	10.8
297.11212	6.0
299.41687	2.3
305.13818	7.3
315.12326	25.8
333.13303	100.0
334.13339	3.1
339.12244	9.8
351.14389	6.9
361.02332	8.1
362.02521	3.3
379.03253	3.8
399.18893	2.8
407.16922	5.2
425.17993	25.7
443.18762	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01799	1.7
53.03932	4.4
55.01869	9.9
55.05493	7.4
56.17580	1.7
56.85496	1.8
57.03415	5.2
61.02910	2.8
65.03931	2.9
67.05505	20.3
69.03416	4.4
69.07059	5.4
69.58843	5.7
69.59270	8.4
70.06599	12.8
71.01334	2.3
71.05000	2.6
73.02895	1.8
77.81553	1.7
79.05493	20.9
81.03396	7.2
81.07045	18.4
83.04972	3.5
83.08616	4.8
85.02910	12.9
87.05567	2.5
91.05474	24.0
93.03439	2.7
93.07028	15.7
95.01315	4.9
95.04971	11.8
95.08582	10.5
97.02885	6.7
97.06523	5.9
97.10134	3.3
98.21587	2.4
99.04437	3.8
101.02356	2.4
103.03938	3.3
103.05441	4.0
105.01870	3.6
105.07025	13.9
107.04935	7.9
107.08586	6.7
108.08097	2.7
109.02864	5.4
109.10196	3.3
109.35306	1.9
115.05438	5.2
117.07018	7.6
118.06863	2.2
119.04926	3.3
119.08584	9.7
120.08107	2.2
121.02883	2.4
121.06496	4.5
121.10121	3.6
123.04416	4.7
125.02352	3.6
127.03876	5.3
128.06200	3.5
129.05447	1.8
129.07005	12.7
131.04916	5.3
131.08563	7.5
133.06474	5.1
133.10109	7.7
135.04373	4.4
135.08147	1.9
135.11714	2.9
136.07527	4.6
137.05998	2.4
137.09595	4.0
139.03873	2.9
141.06955	3.0
142.07755	2.1
143.08527	6.0
145.06496	7.1
145.10118	5.9
147.04381	7.2
147.08043	4.2
147.11656	6.3
148.07506	3.8
149.02335	4.1
149.05960	4.0
149.09550	2.2
151.03903	8.0
151.07500	3.1
153.06966	1.9
155.08540	2.9
157.06459	2.0
157.10115	6.9
159.04442	3.6
159.11667	3.8
161.05956	6.2
163.03912	5.9
163.11169	2.8
165.06996	2.4
165.09099	5.5
167.03369	2.3
167.07018	7.5
167.08406	3.3
169.10121	2.9
171.08046	2.5
171.11659	4.3
173.02419	1.8
173.05965	4.1
173.09610	4.8
175.03839	5.8
175.07516	4.5
175.11214	2.5
177.05394	2.0
178.28406	2.2
179.06972	2.1
181.10081	4.0
183.08047	2.8
185.05893	2.8
185.09567	4.2
185.13272	2.1
187.03931	2.0
187.07518	3.2
187.11092	2.3
189.05428	6.0
189.12730	2.8
191.03416	2.7
197.09506	2.3
199.11183	3.8
201.09166	2.7
203.10703	3.8
204.06506	3.3
204.11066	1.9
205.12149	2.7
213.09218	2.5
213.12817	2.1
215.10667	3.8
215.64589	1.9
217.04863	2.3
221.04489	11.5
226.89777	1.9
231.13902	2.6
233.11676	10.5
235.05949	2.8
241.12289	3.4
243.10158	2.0
251.10556	4.3
255.10121	3.0
259.13123	2.4
269.11685	9.4
277.08276	2.1
277.10727	17.9
279.10165	2.8
281.17496	2.6
285.10992	2.9
287.12759	10.6
297.11157	6.5
303.12161	2.4
305.13947	3.3
315.12320	20.8
333.13303	100.0
334.13483	2.3
339.12152	5.0
351.14236	7.0
359.10428	2.2
407.16751	6.3
425.17950	22.0
443.18729	9.7
443.27371	2.1
443.33960	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	443.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	4.3
55.04245	3.7
56.96564	0.9
57.32136	0.5
58.93968	0.6
61.02904	0.9
69.03417	1.9
69.90822	2.8
70.06588	1.1
72.21821	0.6
77.29684	0.6
80.05015	0.8
81.03440	1.0
81.04539	23.1
82.05324	8.2
85.02908	3.0
87.04443	0.8
88.31159	0.7
94.82064	0.6
97.02891	1.8
98.20879	1.0
108.05597	0.9
110.07140	1.0
115.06951	0.8
122.07146	100.0
123.07930	98.0
135.28061	0.7
139.03947	1.8
144.04799	1.0
149.02168	0.8
160.04265	2.3
160.85054	0.6
165.07777	3.1
172.04268	1.5
173.44395	0.6
281.10657	59.8
282.11163	1.4
315.10336	0.7
317.08527	0.9
443.15994	58.7
444.16055	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	443.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
55.80235	0.4
67.05502	1.0
69.03400	0.5
69.07052	0.8
70.49701	1.0
70.50106	0.9
81.07052	1.7
84.08116	0.5
85.02876	0.4
93.07007	1.1
95.04952	0.7
95.08586	1.7
97.02878	0.6
100.86941	0.5
105.07020	0.9
107.08585	1.1
109.02888	0.6
109.10107	0.9
121.10144	0.6
127.03916	0.8
135.11734	0.5
162.91637	0.5
165.09120	1.7
167.07056	0.7
175.14653	0.6
179.82961	0.5
185.02776	0.5
185.13245	0.4
190.79588	0.5
194.11806	0.5
195.13490	2.4
223.13043	0.7
227.05246	0.7
271.04367	0.7
339.17657	0.8
357.18845	11.0
358.18863	0.6
381.18860	0.7
399.19876	47.8
400.19818	1.2
403.74622	0.5
443.18863	100.0
444.19220	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
55.05509	14.8
56.96571	2.1
57.03424	8.0
60.61396	2.0
65.03936	3.8
67.05502	21.1
68.05058	2.6
69.03422	9.7
69.07059	11.2
70.02956	3.8
70.06585	9.5
71.04987	4.6
71.08605	3.4
71.57273	4.0
79.05466	17.6
81.03400	7.9
81.07051	28.5
82.06593	3.0
83.01330	2.6
83.04966	6.6
83.08616	8.5
84.08131	3.2
85.02905	9.2
85.06531	5.9
86.09708	5.2
87.05597	4.7
88.03987	2.5
88.11203	2.5
91.05469	20.3
93.07033	15.6
95.01344	5.3
95.04970	9.0
95.08606	15.0
96.00574	2.2
96.04523	3.5
97.02876	5.2
97.06526	6.1
97.10160	2.9
99.04462	3.8
100.11257	6.6
103.03929	5.5
103.05439	3.5
105.01852	3.1
105.03307	3.1
105.07022	21.5
107.04961	11.7
107.08572	13.2
108.04441	3.9
109.02866	5.5
109.06507	4.7
109.10143	9.8
110.06010	3.1
111.04440	4.5
115.05443	4.4
117.07013	13.1
119.04976	3.8
119.08585	15.2
121.02901	3.4
121.06487	6.6
121.10143	8.4
123.04417	3.2
123.08058	4.4
123.11646	5.7
125.02365	2.7
125.05962	2.0
125.09702	2.6
127.03889	5.4
128.06151	2.8
128.06999	2.3
129.07004	11.4
131.04924	4.1
131.08548	10.3
133.02826	2.2
133.06464	4.6
133.10136	7.6
135.04445	5.2
135.11731	5.3
137.06007	4.2
137.09605	6.7
139.03912	3.6
141.06966	4.8
142.07764	2.8
143.08534	6.9
145.02835	2.8
145.06496	6.6
145.10098	10.9
147.04407	6.2
147.08078	5.0
147.11699	4.9
149.02362	3.9
149.09595	7.9
149.13344	5.3
151.03937	4.1
151.07552	5.1
153.05437	2.6
155.03426	2.7
155.08545	3.0
157.06438	6.2
157.10146	7.7
158.07243	3.1
159.04427	5.0
159.07956	4.5
159.11703	6.2
161.05962	7.8
163.03918	3.5
165.09099	27.9
167.07059	18.5
167.08461	4.3
168.13765	4.4
169.10081	2.9
170.15416	11.7
171.08017	3.1
171.11778	4.2
171.15764	5.9
173.06009	4.3
175.03932	4.7
175.07532	5.9
175.11226	5.0
177.05469	5.1
179.08502	2.5
181.04961	4.0
181.10086	2.6
182.15375	4.1
185.09653	2.8
185.13246	3.0
186.14897	3.7
187.11220	5.0
189.05478	6.9
191.03517	3.2
192.13834	4.1
195.11740	4.6
197.09595	2.8
198.14944	8.8
199.11186	4.5
199.15155	4.5
201.05469	2.9
204.06520	4.7
205.04997	2.7
207.06500	3.0
210.14838	5.7
211.15211	4.4
213.05522	2.4
217.04974	3.2
220.13301	12.0
221.04463	8.4
233.11774	6.6
238.14354	11.1
241.12300	4.6
251.10608	4.2
255.10112	2.7
255.17151	2.6
269.11752	6.0
269.17661	3.3
277.10782	21.5
281.04645	3.4
287.12708	10.6
297.11160	6.4
301.17572	41.8
303.12262	3.6
305.13745	6.6
307.09476	2.9
315.12262	23.8
333.13315	100.0
333.17303	5.1
339.12219	9.5
351.14252	7.8
369.23904	2.3
407.16702	3.2
407.25458	2.9
425.18036	25.3
425.31906	6.3
443.18967	16.4
443.27316	8.0
443.33206	3.7
444.16595	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	442.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47795	0.4
55.01822	0.4
55.05499	0.9
56.05027	1.2
57.03434	0.4
58.06594	1.1
60.08160	13.2
67.05495	1.2
69.03409	0.4
69.07056	2.6
69.33189	3.1
69.33618	0.8
70.06596	0.8
71.07370	5.3
72.08141	1.0
73.06556	0.4
79.05479	1.4
81.03407	1.9
81.07048	1.6
83.04977	0.9
85.02914	0.5
86.09701	49.1
87.04471	0.5
87.10041	0.5
91.05479	0.7
93.07052	2.3
95.08605	0.9
97.06517	1.2
97.10151	1.3
98.98464	4.2
104.10736	81.8
105.07027	0.7
105.11081	1.1
119.08575	0.6
120.08079	0.4
121.10112	2.8
122.06055	0.4
123.54068	0.4
124.99995	26.8
131.08524	0.5
136.07536	0.5
137.05939	1.9
138.06389	0.4
139.11172	2.3
143.01059	0.5
147.04411	0.7
147.11792	0.4
163.01479	0.4
164.03467	1.0
174.05382	0.4
178.87210	0.4
184.07330	100.0
185.07716	1.2
194.11816	0.6
203.12804	1.2
210.11887	0.4
218.08966	0.4
241.14249	0.7
258.11133	1.2
259.15292	0.7
332.14984	0.9
350.15967	3.1
351.14798	0.4
398.18811	0.9
424.20758	6.6
424.25546	0.5
442.22110	16.0
443.22656	0.6
450.10922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
55.05502	0.4
56.05021	0.7
58.06600	0.5
60.07874	0.6
60.08162	7.4
63.97668	0.4
67.05479	0.9
69.03408	0.6
69.07043	1.1
69.42746	3.2
70.06565	0.4
71.07370	3.7
73.02894	0.5
79.05488	0.9
81.03400	0.4
81.07040	1.1
85.02880	0.7
86.09700	36.8
87.10001	0.7
91.05458	0.4
93.07018	1.1
95.08543	0.4
97.02863	0.6
97.10225	0.4
98.20830	0.9
98.98465	3.5
104.10746	4.0
105.07031	11.0
107.04909	0.6
114.86765	0.4
120.08071	0.5
121.10153	1.1
122.09669	5.8
124.99998	24.5
137.06038	0.3
138.61041	0.3
139.11185	0.9
143.98296	0.3
184.07332	100.0
185.07642	1.7
186.07823	0.5
194.11763	9.8
215.71877	0.4
259.15265	0.7
259.87711	0.3
299.85529	0.5
424.20609	0.5
442.22226	2.3
447.42255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22720	7.9
54.50388	6.5
56.96562	25.4
59.40138	5.4
62.65482	5.7
69.70412	43.4
93.61107	6.4
98.97583	50.1
116.98601	89.0
134.99657	100.0
153.00769	17.7
167.38969	6.2
177.00938	17.5
179.00731	7.9
192.98842	9.7
195.95689	7.1
218.03558	5.8
219.01956	18.1
221.01945	11.7
232.96600	12.4
234.96466	7.5
234.99956	17.2
250.97656	10.1
252.97548	16.6
258.99951	31.2
260.00085	18.5
261.00323	10.3
261.03110	42.3
262.03070	11.2
263.02890	11.5
272.94394	11.5
274.97623	44.1
275.97714	11.3
276.97528	37.6
277.00928	86.9
277.98166	6.2
278.01117	23.8
279.00858	19.0
282.99872	33.8
284.00150	11.7
284.99823	15.1
290.95212	8.8
292.98618	19.4
294.98703	10.8
298.97906	14.9
299.09778	19.5
300.02631	7.2
300.10025	6.7
300.97519	23.0
301.01059	70.1
301.09576	22.8
302.01306	18.4
303.00885	15.4
316.98752	38.5
317.99088	19.5
318.98611	52.6
354.93610	8.8
357.96866	14.1
358.96228	8.5
401.01147	8.6
414.96008	14.3
418.97791	13.0
419.99704	7.5
425.01819	8.5
442.97787	11.8
443.02286	25.4
460.99915	78.9
461.99945	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.88731	3.5
67.05491	5.4
69.07054	7.1
69.88596	22.7
71.84644	3.3
81.07043	10.5
93.07056	5.1
95.08625	21.7
96.00941	3.6
107.08588	15.5
109.10145	11.1
119.08555	5.9
121.10082	7.6
123.11691	7.8
133.10094	4.0
135.07996	3.6
135.11685	12.6
137.13277	5.3
149.09608	14.9
158.35132	3.7
159.67546	4.2
175.14838	7.3
181.34856	3.6
184.99089	3.8
189.16434	4.3
197.13739	3.7
212.64265	4.1
215.17975	4.6
267.66498	4.0
277.72653	4.3
286.07745	4.1
287.23615	7.3
315.83206	3.9
380.39056	4.2
395.22754	4.3
417.35730	4.5
441.31268	7.8
441.37234	100.0
455.84598	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	442.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	0.6
55.05500	0.5
59.17348	0.5
59.29940	0.4
67.05495	0.7
69.03422	1.1
69.07076	0.5
70.06587	0.7
71.57172	0.6
72.08131	0.6
73.02908	3.9
79.05484	2.2
81.03409	1.3
81.07047	0.9
85.02920	2.9
86.09698	2.1
87.00858	0.7
91.05464	0.5
93.07068	0.5
95.04977	0.7
95.08595	0.5
97.02879	0.9
99.22469	0.5
103.05478	1.5
104.10760	1.0
105.01890	0.5
105.07024	99.6
106.07358	1.4
107.04929	2.3
109.02928	0.9
110.07159	0.9
120.08086	1.0
122.09661	51.5
123.09998	1.2
124.99979	1.1
127.03904	1.1
136.66296	0.5
148.07611	0.8
165.02167	0.5
176.10713	4.7
184.07350	3.1
193.04964	6.6
194.05286	5.5
194.11757	100.0
195.12141	1.6
200.12505	0.5
350.15796	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03934	1.8
55.05510	12.3
56.97377	1.7
57.07071	4.2
59.90944	1.3
63.59575	1.4
66.13135	1.3
67.05500	30.9
69.07066	22.5
69.46627	6.0
69.47064	6.5
71.04971	1.5
79.05482	16.6
81.03416	3.6
81.07049	54.8
82.76360	1.7
83.08625	9.9
85.06540	4.3
86.09680	1.6
87.66074	1.5
91.05462	17.1
93.07037	42.0
95.04967	4.6
95.08599	100.0
96.08957	2.1
97.06550	2.0
97.10164	5.2
97.67141	1.4
98.20660	2.5
105.06516	1.3
105.07027	34.8
107.08589	54.3
109.06519	5.0
109.10154	49.1
110.10548	2.2
111.08075	18.0
117.07006	4.5
119.08573	41.8
121.06511	1.6
121.10135	42.5
123.11703	24.0
125.09599	3.7
129.06984	2.8
131.08559	11.4
131.95093	1.7
132.81882	1.6
133.10129	41.9
134.10463	1.8
135.11678	29.9
136.12054	1.4
137.09602	3.2
137.13261	7.2
139.11150	9.1
142.07843	1.7
143.08585	4.3
144.09331	1.8
145.10103	21.1
147.11676	22.6
149.09627	1.9
149.13239	23.4
151.11162	4.3
151.14839	2.2
153.12704	3.2
155.08699	2.2
157.10168	5.3
158.10849	1.7
159.11699	21.6
161.13245	24.2
163.11160	1.7
163.14809	18.4
165.07013	1.8
165.09106	4.8
165.12767	4.6
167.08578	2.4
167.14284	1.9
169.10104	2.4
171.11703	5.4
173.13226	15.7
175.14815	21.3
177.12885	1.7
177.16385	18.3
183.11638	1.9
185.13286	4.6
187.14816	14.3
189.16356	21.5
191.14322	2.1
191.17986	9.4
193.15852	4.3
195.17520	7.6
199.14850	5.0
200.92130	1.8
201.16338	13.4
203.17938	28.7
204.18394	2.1
205.15869	2.9
205.19466	3.1
207.17432	8.9
213.16438	6.0
215.17947	15.8
217.19545	9.9
219.17473	6.4
221.18983	5.2
227.17967	7.4
229.19505	16.9
231.20880	1.9
233.18951	7.3
241.19456	4.2
243.21129	4.4
245.18903	3.5
247.20605	6.5
255.21126	4.7
257.22589	6.3
259.20578	2.6
261.22098	4.7
269.22607	5.5
273.22192	2.2
275.23761	4.8
283.24103	3.0
287.23663	3.8
301.25320	2.6
349.21555	2.8
369.31622	3.0
383.32935	2.1
405.35117	3.7
423.30905	1.9
423.36252	32.2
441.27664	7.3
441.37411	27.8
442.37341	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.01880	2.4
55.05511	14.7
55.14371	2.4
57.07063	4.3
65.33979	2.6
67.05500	25.9
69.07061	19.4
71.18356	6.2
79.05476	14.7
81.07047	52.2
82.45100	2.7
83.05040	3.3
83.08615	10.7
91.05481	13.2
93.07039	34.9
95.08604	100.0
97.10159	5.2
99.08103	3.0
101.88038	2.4
105.07035	33.5
107.08590	50.7
109.06524	2.5
109.10152	48.8
111.08072	19.2
111.47884	2.3
117.07005	4.3
119.08582	33.9
120.31310	2.4
121.10145	36.9
123.08074	3.6
123.11700	20.1
131.08572	9.0
133.10127	28.8
135.11664	28.1
137.09636	4.3
137.13243	8.1
139.11183	8.9
141.17667	2.5
143.08586	5.5
145.10078	17.7
147.11717	25.7
149.13251	23.4
151.11241	5.1
153.12685	3.7
157.10176	5.1
159.11714	14.6
161.13264	22.0
163.11282	2.7
163.14844	18.3
165.09085	12.3
165.12767	4.0
171.11667	4.2
173.12010	3.0
173.13240	15.9
175.14848	17.7
177.16391	14.1
187.14832	10.8
189.16391	10.4
191.14320	6.0
191.18045	8.6
193.15903	3.2
195.17422	7.4
199.14923	4.3
201.16393	12.4
203.17975	19.1
205.15862	3.3
207.17418	6.6
213.16412	2.9
215.17935	12.8
217.19501	9.4
219.17461	6.7
221.00803	2.6
221.19044	4.7
227.17952	7.5
229.19502	19.3
233.19044	6.1
243.21162	6.3
245.19040	4.3
247.20547	11.4
257.22681	5.9
261.22299	3.3
267.17111	2.6
269.22656	5.1
275.23825	3.5
283.24121	4.5
287.23651	3.9
369.31479	3.0
383.32867	2.8
423.36316	28.8
441.37473	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	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05517	14.2
57.07069	4.4
67.05505	28.4
69.03400	4.0
69.07067	28.1
69.36211	6.2
69.36624	15.5
79.05485	21.5
81.07057	56.8
83.08620	10.6
85.06549	2.3
91.05479	22.3
93.07043	53.8
95.04980	8.0
95.08607	100.0
97.06540	7.9
97.10155	8.9
98.20715	4.2
98.97630	2.7
103.53389	2.3
105.07027	69.5
107.07868	4.3
107.08594	73.5
108.08850	2.4
109.06514	5.8
109.10148	42.3
111.08091	9.6
116.08126	2.3
117.07029	3.2
119.08578	66.5
120.08938	2.2
121.06505	18.4
121.10143	50.9
123.08066	43.9
123.11700	11.0
129.07057	3.3
131.08578	24.4
133.10130	52.0
135.08070	5.0
135.11688	25.6
137.09618	6.7
137.13243	5.3
141.57916	2.1
143.08582	4.7
145.06563	2.5
145.10088	28.4
147.08028	6.9
147.10522	3.4
147.11679	54.2
148.11972	2.4
149.09627	8.9
149.13268	44.1
151.11287	2.5
157.10147	7.3
159.11707	17.7
161.09624	27.7
161.13269	24.9
163.11179	11.4
163.14835	44.6
165.09120	5.6
165.12729	3.4
171.11665	6.2
173.13261	26.3
175.11217	4.9
175.14825	51.4
175.16281	3.5
176.15102	3.1
177.16382	42.5
185.13231	5.2
187.14824	37.9
189.12782	21.4
189.16364	72.5
191.10701	3.7
191.14317	69.2
191.17865	13.1
193.12227	3.0
193.15944	4.9
197.13361	2.7
199.14880	3.6
201.16400	22.8
203.14316	4.0
203.17958	98.1
204.18367	3.5
205.15897	9.1
205.19576	6.9
207.17598	3.7
209.11699	3.3
213.16277	4.4
215.17931	9.3
217.15895	5.4
217.19498	5.4
219.13797	3.1
219.17448	4.2
221.15401	2.9
227.17915	3.7
229.19527	11.6
231.17519	4.3
231.20982	5.5
234.12314	3.1
235.13097	4.9
235.16902	3.3
237.14871	2.7
241.19521	4.0
247.16876	4.1
247.20590	6.5
249.18645	3.4
263.16492	3.2
321.26028	2.2
377.31863	13.8
395.33093	99.7
396.33435	3.0
399.15143	2.5
409.14578	5.3
423.32367	20.5
441.33401	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	441.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05506	26.0
57.03412	2.6
57.07055	4.2
65.81216	2.6
65.98374	2.0
67.05496	35.6
69.07060	28.0
69.59864	19.5
75.74500	2.2
79.05478	26.0
81.07051	53.8
83.08623	13.8
85.98843	2.2
89.80151	2.4
91.05472	20.5
93.07035	49.7
95.05003	4.3
95.08598	100.0
97.06554	4.4
97.10158	12.5
101.16919	2.2
103.05445	3.2
105.07015	56.0
107.08578	72.7
109.06496	4.8
109.10152	49.6
111.08083	5.5
111.11720	2.9
117.07018	10.2
119.08571	67.1
121.06525	15.2
121.10140	41.2
121.10933	4.4
123.08056	34.9
123.11723	9.4
125.09628	6.9
129.07008	8.1
131.08525	17.3
133.10123	46.5
134.36536	2.6
135.08061	6.4
135.11674	22.6
137.09636	8.4
141.07027	3.6
143.08583	5.8
143.84334	2.7
145.10107	27.0
147.08023	6.1
147.11674	48.2
147.92839	2.2
149.09630	7.7
149.13249	44.7
153.09145	3.2
155.08545	3.5
157.10106	5.8
158.10818	2.6
159.11696	16.3
161.09595	22.6
161.13248	19.0
163.11188	9.9
163.14803	33.7
165.09105	33.6
167.08694	3.4
169.10112	3.4
171.11674	7.3
173.13283	17.8
175.11240	4.3
175.14801	40.3
175.88853	2.7
177.16367	33.8
179.10670	2.8
183.11671	3.4
185.13173	5.4
187.14832	30.7
189.11234	3.6
189.12766	16.6
189.16341	45.9
191.10686	2.7
191.14281	50.0
191.17928	13.2
197.13292	6.2
199.14853	4.4
201.12631	3.0
201.16420	10.9
203.10692	2.9
203.14336	4.4
203.17937	93.3
205.12141	2.7
205.15881	3.9
205.19501	4.5
215.14369	16.4
215.17949	4.9
217.15863	5.6
217.19601	4.0
219.13876	3.1
221.15210	2.7
227.17903	3.7
229.19551	5.0
231.17439	3.4
245.15279	2.8
249.18402	3.3
303.11600	2.6
327.64957	2.6
349.21603	4.2
367.22470	14.7
377.32025	10.9
385.23801	5.6
395.33069	67.7
397.34573	2.9
423.32108	11.4
441.26346	16.9
441.33612	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
50.36234	3.3
51.64173	3.2
53.98611	3.0
55.05502	13.6
55.11149	3.1
57.07055	4.8
67.05508	19.4
69.07067	17.6
69.59831	12.4
69.60253	11.8
79.05470	19.1
81.07045	44.1
83.08617	10.3
91.05467	20.6
93.07039	40.7
95.04975	4.4
95.08599	89.2
97.06550	3.4
97.10174	8.6
105.07018	66.6
107.08590	57.4
109.10141	33.2
111.08025	8.4
114.66516	3.2
119.08564	67.1
121.06480	18.1
121.10133	48.5
123.08060	38.5
123.11710	10.8
131.08568	20.3
133.10133	50.7
135.08121	4.7
135.11679	23.7
137.09581	6.4
137.13206	4.0
143.08446	4.3
145.10097	31.7
147.07990	9.2
147.11690	47.4
149.09624	6.2
149.13249	48.3
157.10034	6.4
159.11713	17.8
161.09612	25.1
161.13248	21.2
163.11179	9.6
163.14807	41.7
171.11679	6.7
173.13283	23.9
175.11261	8.1
175.14815	54.6
177.16389	44.0
183.11868	3.0
185.13234	6.7
187.14786	36.0
189.12752	21.7
189.16364	74.6
191.14290	67.0
191.17957	13.9
199.14757	7.8
201.16406	20.9
203.14598	3.8
203.17924	88.8
205.15892	6.1
205.19502	4.0
213.16533	4.6
215.17969	8.3
217.19502	5.7
219.17409	5.0
221.15485	6.0
229.19484	9.7
231.17247	3.2
231.21049	3.8
237.15013	3.6
241.19408	4.0
247.16948	3.5
247.20598	5.2
249.18295	3.3
338.29236	4.2
362.64017	3.6
377.32031	16.4
395.33026	100.0
397.34546	4.3
423.27542	3.7
423.32495	20.8
441.33435	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2457
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05512	0.3
67.05524	0.3
67.90584	0.2
69.07040	0.3
71.08615	0.3
71.97203	0.2
72.93825	0.2
79.05483	0.7
80.84535	0.2
81.03399	0.3
81.07044	0.3
81.96973	0.3
83.04996	0.3
83.08614	0.5
85.02892	0.3
91.05447	0.4
93.07014	0.5
95.04963	0.3
95.08615	0.5
98.20696	0.6
100.11191	0.4
105.07040	0.5
107.08552	0.6
109.10213	0.3
114.28173	0.3
119.08603	0.5
120.08046	0.4
133.10097	0.4
136.07588	0.3
145.10089	0.4
147.68988	0.2
169.44913	0.3
170.15387	0.6
177.05476	0.8
182.15407	0.4
183.22183	0.3
198.14911	0.4
203.05270	5.2
261.18198	2.2
279.19305	0.8
283.10852	0.4
342.62183	0.3
397.24103	0.6
424.31506	0.4
441.24570	100.0
442.24954	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	441.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.2
57.03426	1.3
57.07071	1.2
59.56055	0.6
61.02898	0.7
67.05503	11.1
68.52551	0.6
69.03421	1.2
69.07067	5.5
69.94361	3.3
70.06540	0.7
71.04978	1.6
79.05492	6.0
81.07053	13.3
82.07364	1.1
83.04950	0.8
83.08617	4.2
84.08130	1.8
85.02908	1.0
91.05472	7.3
93.07041	10.6
95.02003	0.8
95.04970	1.4
95.08601	19.6
97.06540	1.7
97.10152	2.2
98.21468	1.4
105.07021	11.6
107.08588	14.3
109.06509	1.7
109.10157	13.3
111.04431	1.0
111.08091	3.3
111.11784	0.6
117.07003	1.6
119.08579	14.3
119.45178	0.6
121.06483	1.6
121.10143	9.9
122.07298	1.9
123.08064	4.6
123.11693	4.3
125.09621	1.6
129.06993	1.6
131.08554	4.6
133.10117	10.8
135.08025	1.5
135.11705	4.0
135.61632	0.7
137.09610	13.7
137.13214	0.9
143.08574	2.0
145.06476	1.5
145.10066	3.8
147.08025	0.8
147.11670	7.8
148.11974	1.0
149.09616	3.1
149.13264	5.1
155.08493	0.7
157.10190	1.7
159.11682	4.4
161.09622	1.7
161.13243	5.3
163.11165	2.5
163.14822	6.4
165.09106	100.0
166.07964	0.7
166.09444	2.2
171.11693	1.2
171.50974	0.7
173.13275	3.7
175.11214	1.3
175.14825	7.1
177.09100	1.0
177.12796	0.8
177.16382	5.9
181.10291	0.6
182.75072	0.7
185.13290	1.0
187.14839	5.8
189.12729	1.7
189.16382	10.5
191.14294	6.8
191.17955	2.0
199.14822	1.2
201.12399	0.8
201.16394	3.6
203.10747	1.3
203.14386	1.9
203.17964	10.6
205.12260	3.8
205.15916	0.9
205.19472	0.7
205.44737	0.7
206.77206	0.7
207.17491	1.5
213.16328	1.1
215.14328	0.9
215.17944	2.1
217.19505	1.1
219.17468	0.8
229.19489	2.7
231.13715	1.0
241.19475	1.4
247.20578	2.5
267.21634	0.7
271.24344	0.9
281.22644	0.8
283.33990	0.8
289.25195	2.5
309.56754	0.8
349.21649	1.0
367.22690	2.3
377.32047	1.9
390.51358	0.8
395.33069	8.5
423.32513	2.7
441.26584	2.6
441.33633	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	441.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
55.05508	1.6
57.03423	1.5
58.57449	0.6
59.75016	0.5
61.02925	1.5
63.02359	0.7
67.05490	1.5
69.03434	4.2
69.07068	7.4
70.06581	2.0
70.07384	1.6
71.01347	0.6
73.02912	9.7
74.03227	1.4
79.05479	2.1
81.03416	1.6
81.07054	3.1
83.04968	0.7
83.08643	0.7
85.02905	10.6
86.03230	2.0
86.09710	9.2
89.03918	10.6
91.05470	3.1
93.07044	3.1
95.04966	1.4
95.08585	2.7
97.02885	5.9
97.06523	0.9
98.03210	2.3
98.21542	1.2
99.04445	1.3
103.12350	6.2
105.07010	1.7
107.04951	0.9
107.08580	2.0
109.02867	1.3
109.06499	1.4
109.10136	2.1
111.04267	0.6
111.11713	1.6
112.12075	1.2
115.03938	2.9
116.04256	1.3
117.03378	24.2
118.03637	0.6
119.04911	0.7
119.08582	2.9
120.08090	1.1
121.10134	1.9
123.08071	1.0
127.03883	3.6
131.08527	1.5
133.04944	2.5
133.10086	1.6
134.03618	1.7
135.04413	8.2
135.11682	1.1
143.08510	0.8
145.02843	62.1
145.04924	3.0
145.10081	1.1
146.03197	1.2
146.05286	2.1
147.11674	0.8
149.05986	7.8
149.09726	0.8
158.05977	0.9
159.11668	0.8
163.03906	34.8
163.06091	1.9
164.04277	0.6
165.09085	0.8
170.17455	0.6
173.09726	0.6
173.13216	0.8
175.11229	0.9
177.05463	100.0
178.05817	1.9
184.07411	0.6
185.13303	0.7
186.05562	1.4
213.16620	0.7
232.18605	0.6
265.15466	18.2
279.17020	47.7
280.17355	0.7
291.13525	0.8
305.14999	0.8
397.18332	1.2
423.16599	0.8
441.16779	6.9
441.25250	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	441.2018
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
55.01879	0.6
55.05508	1.0
57.03426	1.1
67.05518	1.3
69.03423	0.6
69.07066	2.2
70.06588	1.5
70.07391	0.5
71.04991	0.6
71.57050	0.6
71.57440	0.5
73.02910	1.0
75.08715	0.4
78.04683	0.6
79.05495	1.3
81.03417	0.5
81.07053	1.7
83.04967	0.5
85.02911	1.8
86.09704	8.7
89.03907	9.3
91.05483	1.4
93.07050	1.5
95.04972	1.6
95.08589	2.2
97.02880	0.8
97.06549	0.6
103.05397	0.5
103.12343	6.0
105.07011	2.0
106.04201	0.7
107.04958	0.8
107.08598	1.2
109.06525	0.5
109.10159	1.6
110.84543	0.4
117.03372	24.9
119.08575	1.7
121.06438	0.5
121.10132	1.2
123.11691	0.9
127.03884	0.4
129.10255	0.9
131.08548	0.8
133.10115	1.0
134.03638	1.4
135.04405	8.3
135.08052	0.5
135.11674	0.7
143.08531	0.7
145.02837	61.5
145.10132	1.2
146.03145	0.7
149.05968	7.3
149.09625	0.5
149.13216	0.4
154.41826	0.4
155.08574	0.5
157.10141	0.7
159.11638	0.5
161.09607	0.5
161.13274	0.4
162.03116	0.4
163.03891	34.3
164.04221	0.5
165.09111	0.5
171.11667	0.8
173.13278	0.6
175.11238	0.5
177.05455	100.0
178.05769	1.1
179.78348	0.4
184.07423	0.6
186.05522	1.7
232.63661	0.4
239.16455	0.5
248.12646	0.6
261.56699	0.4
262.14398	0.9
265.15445	18.0
279.17020	44.9
280.17435	1.0
291.13239	0.5
310.36392	0.4
441.16684	0.6
441.19684	1.5
441.24747	1.8
441.29938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.6
65.45333	1.1
69.03410	1.4
71.56905	1.5
85.02916	1.3
97.02932	1.3
98.97568	1.9
116.98618	1.2
127.16564	1.3
143.41302	1.3
146.99706	2.2
147.04407	6.7
177.05431	2.4
192.03946	20.1
193.04718	10.0
204.58206	1.5
219.01677	1.4
227.05325	5.9
232.04100	1.6
256.04269	1.4
261.02783	2.3
271.04294	5.0
277.00134	1.9
355.10150	8.0
366.09332	2.0
397.11014	52.3
426.52460	1.5
441.10043	100.0
441.15894	4.7
442.10321	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
67.01857	0.9
67.05498	0.3
68.99780	0.5
69.03381	0.2
69.07015	0.2
69.31248	1.6
70.06586	0.4
72.08144	0.4
73.02901	0.2
81.03393	0.3
82.93258	0.2
83.08656	0.2
84.08154	0.2
85.02879	0.7
86.09707	0.4
91.05466	0.3
93.07049	0.2
95.04933	0.2
95.08585	0.2
97.02885	0.2
100.11228	0.2
100.96966	0.2
103.33871	0.2
105.07012	1.1
107.04939	0.2
109.02876	0.3
116.07035	0.2
119.04977	0.2
120.08111	0.9
122.09653	0.4
125.05979	0.6
127.03917	0.6
136.06215	0.3
137.05908	0.2
147.04399	0.7
151.03897	0.6
153.01825	0.6
169.04944	0.5
193.04955	100.0
194.05286	2.1
194.11736	0.7
246.14967	0.2
343.98572	0.2
355.10165	0.2
363.46246	0.2
423.33356	0.3
441.10046	0.8
441.16678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.96575	0.7
67.05487	2.3
69.03415	1.4
69.07058	1.3
71.04981	3.6
71.56486	1.6
72.08147	1.2
79.05481	2.0
80.70703	0.7
81.03394	0.7
81.07043	2.9
85.02907	3.9
91.05470	2.1
93.07037	2.6
95.05019	0.7
95.08593	2.9
105.03329	1.5
105.07022	2.2
107.08596	2.8
108.08116	1.0
109.02905	0.8
109.10154	1.8
117.14250	0.6
119.08607	3.2
121.10160	1.6
123.11678	0.8
127.03928	0.9
128.73010	0.7
131.08527	1.1
133.10126	2.5
135.11685	1.7
145.10132	2.0
149.13203	0.8
175.14766	1.7
185.04282	0.9
185.20657	0.7
193.12041	3.0
211.72258	0.8
221.11525	0.7
231.33009	0.7
235.12987	1.3
245.06363	3.5
287.05582	1.6
289.05270	4.9
355.17276	12.0
361.02237	2.8
379.17270	1.0
397.18314	38.5
398.18689	1.7
441.17313	100.0
441.24301	7.3
442.17728	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.96575	0.7
67.05487	2.3
69.03415	1.4
69.07058	1.3
71.04981	3.6
71.56486	1.6
72.08147	1.2
79.05481	2.0
80.70703	0.7
81.03394	0.7
81.07043	2.9
85.02907	3.9
91.05470	2.1
93.07037	2.6
95.05019	0.7
95.08593	2.9
105.03329	1.5
105.07022	2.2
107.08596	2.8
108.08116	1.0
109.02905	0.8
109.10154	1.8
117.14250	0.6
119.08607	3.2
121.10160	1.6
123.11678	0.8
127.03928	0.9
128.73010	0.7
131.08527	1.1
133.10126	2.5
135.11685	1.7
145.10132	2.0
149.13203	0.8
175.14766	1.7
185.04282	0.9
185.20657	0.7
193.12041	3.0
211.72258	0.8
221.11525	0.7
231.33009	0.7
235.12987	1.3
245.06363	3.5
287.05582	1.6
289.05270	4.9
355.17276	12.0
361.02237	2.8
379.17270	1.0
397.18314	38.5
398.18689	1.7
441.17313	100.0
441.24301	7.3
442.17728	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01867	6.7
55.05503	9.5
57.03432	18.4
59.04989	1.0
61.02922	19.2
67.05494	4.0
69.03425	35.0
69.03809	1.7
69.07064	55.0
69.92132	2.0
69.92546	4.4
71.01335	4.4
71.04979	2.7
73.02914	87.4
75.04442	1.2
79.05493	1.6
81.03416	9.9
81.07049	2.5
83.04981	1.6
85.02900	100.0
86.09641	1.0
87.04451	4.6
91.03952	3.6
91.05475	1.8
93.07050	2.6
95.04990	2.0
95.08600	2.6
97.02885	61.2
97.06532	1.3
98.06100	1.1
99.04437	4.2
103.03921	4.9
105.07021	2.9
105.17212	0.9
107.04935	1.0
107.08604	2.0
109.02876	9.3
111.04401	1.1
111.11711	24.9
115.03925	33.8
117.03378	1.8
119.08572	1.8
123.04401	1.4
123.11660	1.7
127.03909	31.7
129.05421	1.3
133.04961	32.2
133.10104	1.5
135.11732	1.5
139.03896	1.3
141.09419	1.0
145.02829	4.9
145.04948	42.1
150.07600	3.9
153.12810	1.5
157.05006	1.4
163.03914	2.3
163.06003	16.7
165.12807	1.1
177.05457	5.4
180.08585	1.3
181.04955	1.4
182.54698	1.0
189.12706	1.2
193.04964	2.4
195.13745	1.3
199.05920	1.5
207.13857	1.6
212.16414	1.1
217.68202	0.9
223.06013	6.4
225.14920	1.6
241.07101	10.4
243.15953	1.5
259.08032	8.4
277.09024	1.3
279.16907	1.4
295.10406	1.3
440.23169	1.1
441.17224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86753	1.0
56.96295	1.9
56.96560	20.9
70.06596	1.5
70.92871	3.3
71.95248	1.1
77.58414	1.0
84.96037	10.9
85.78511	1.1
88.32269	1.0
98.97578	86.3
102.97087	1.7
110.97551	20.4
116.98616	56.3
120.98013	1.1
122.55159	0.9
124.99168	1.6
127.00739	1.3
128.98595	33.6
134.99649	23.8
140.00220	1.9
140.98592	6.3
143.00142	11.5
144.98218	1.2
146.99644	27.2
147.04323	1.2
149.01193	1.6
152.98616	2.9
153.00743	2.2
158.01187	1.3
158.99646	31.7
161.01215	18.5
165.00710	2.8
170.99637	24.1
174.99152	1.7
177.00699	47.6
179.02275	3.9
182.01469	1.1
182.99651	13.2
189.00696	39.1
192.03888	1.2
195.01778	4.8
200.02357	2.2
201.00700	59.0
207.01762	9.8
213.00677	4.4
219.01752	58.1
224.02328	1.9
231.01799	6.9
237.02806	28.2
242.03430	2.5
243.01724	18.6
248.91995	1.3
249.02791	2.5
255.03833	1.9
260.04434	1.4
261.02808	100.0
273.02798	7.6
279.03860	78.4
284.04233	1.2
291.03842	21.5
297.04971	4.2
302.05438	6.6
303.03897	3.0
309.04852	2.9
314.05539	1.2
321.04926	45.8
333.04849	4.5
351.01700	1.1
351.05643	5.6
381.06863	2.6
397.10892	1.8
399.08264	2.2
441.09445	21.7
441.14929	1.7
442.09631	1.1
464.57193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52370	0.7
55.05501	10.7
57.07072	4.1
63.16001	0.7
67.05495	11.4
69.07063	15.2
70.19611	2.5
71.08619	0.6
72.23016	0.6
79.05482	8.8
81.07047	24.5
83.08611	7.8
91.05469	9.6
92.69901	0.7
93.07031	22.6
95.04939	1.5
95.08597	51.5
97.10163	4.8
103.15597	0.6
103.66856	0.6
105.06306	1.0
105.07018	27.4
107.08578	34.1
109.06488	1.6
109.10146	29.3
111.11694	1.1
117.07010	1.4
119.08568	41.0
120.06712	0.6
121.10130	26.9
123.11695	12.0
125.05946	0.8
125.09586	1.5
131.08533	3.8
133.10120	35.3
134.10452	0.8
135.11671	23.6
137.13223	6.0
139.07529	1.5
143.08574	0.8
145.10104	6.3
147.11668	32.9
149.02336	3.4
149.13234	15.5
150.02625	1.0
153.09099	6.3
157.10098	2.5
159.11703	5.4
160.12431	0.9
161.13237	20.2
163.14827	7.4
165.09093	1.2
165.12674	1.1
167.10603	4.2
171.11659	1.4
173.13191	3.1
175.14766	10.9
175.66293	0.7
177.16333	5.8
179.10713	1.9
179.17934	0.6
185.13193	1.1
187.14740	3.7
189.16365	46.0
190.16699	1.2
191.17924	64.5
192.18263	1.2
193.04929	3.2
193.12256	1.2
194.05313	3.3
199.14867	1.1
201.16341	11.7
203.17932	100.0
204.18268	1.4
205.19499	14.6
207.17416	2.2
213.16315	1.9
215.17943	5.9
217.19516	13.2
219.21129	0.9
221.15387	1.3
221.18976	6.4
227.18028	1.3
229.19531	2.3
231.17381	2.5
231.21008	3.6
235.16919	4.1
241.19510	1.3
243.21217	1.7
245.22647	2.3
247.16943	3.4
249.18459	13.4
255.21095	1.2
257.22638	1.2
261.18466	2.6
269.22528	1.1
273.18555	1.1
283.24146	1.2
287.20099	1.6
289.21524	0.9
301.21640	1.2
303.23013	1.1
343.26443	0.9
369.27869	0.9
381.61237	0.8
392.51715	0.7
393.35104	6.1
439.35626	20.0
440.35846	1.5
448.76144	0.7
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
54.13698	1.4
55.05518	8.3
55.57641	1.8
57.07064	3.7
67.05495	10.0
69.07067	16.1
69.97839	8.2
69.98145	2.9
79.05489	8.6
81.07047	23.6
83.08614	7.5
89.03174	1.5
91.05474	10.5
93.07040	24.0
95.08601	47.3
97.10168	3.5
100.83231	1.5
105.07024	22.3
107.08590	33.7
109.10146	27.4
111.11724	2.0
117.07076	2.2
118.04575	1.4
119.08582	42.3
121.10146	27.3
123.11718	12.9
131.08527	4.0
133.10133	33.7
135.11687	21.8
137.13219	7.1
145.10103	5.4
147.11682	33.0
149.13257	12.1
153.09132	4.3
159.11710	6.2
161.13251	19.1
161.15611	1.3
163.14836	8.7
167.10663	4.0
173.13266	4.1
175.14839	11.0
177.16373	5.4
179.59808	1.7
187.14879	5.8
189.14906	1.0
189.16373	42.2
191.17947	54.8
201.16386	10.2
203.17949	100.0
204.18274	2.4
205.19484	14.9
207.17448	2.3
215.17932	4.5
217.19537	8.9
221.19000	5.4
223.16800	1.6
231.17503	3.7
231.21175	2.9
235.17026	4.9
243.21077	2.4
245.22752	3.2
247.17004	2.3
249.18527	14.0
261.18478	2.7
393.35123	5.9
439.35638	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24528	2.9
53.03936	7.5
54.03926	3.1
55.01867	5.7
55.05515	14.9
56.05027	3.6
57.03434	7.2
57.07070	5.8
65.03933	3.9
67.05497	29.3
69.03428	7.8
69.07066	36.3
69.92398	13.4
70.06590	3.9
73.02924	6.7
73.50366	2.5
79.05490	29.8
81.03431	4.6
81.07051	55.5
83.04967	6.9
83.08612	11.3
84.04476	2.6
85.02911	16.1
85.06559	4.2
86.09698	3.3
89.03921	5.1
91.05476	33.8
93.07034	52.8
95.04979	10.7
95.08605	72.3
95.09174	5.7
97.02877	8.3
97.06529	4.0
97.10187	7.4
98.09705	4.8
98.20760	3.7
98.98460	5.6
101.06024	2.8
103.05479	3.2
105.07030	50.9
107.04948	4.6
107.08591	57.8
108.08125	6.7
109.02895	3.3
109.06511	12.7
109.10147	37.1
111.04430	4.4
112.07609	2.9
114.76488	2.9
114.78614	2.6
115.05473	3.4
117.03392	3.4
117.07024	10.3
119.08578	53.1
119.09367	4.7
120.08087	3.6
120.08907	3.7
121.10139	47.5
122.09662	4.3
123.04426	3.3
123.08064	6.6
123.11660	16.3
125.09586	3.7
127.03940	4.9
128.06175	2.8
129.06998	5.4
131.04941	5.4
131.08556	20.5
133.06480	4.3
133.10127	53.5
133.11075	3.9
135.04378	4.4
135.08075	6.3
135.11679	33.8
137.05978	5.2
137.09601	4.3
137.13255	13.8
142.07719	5.5
143.08583	11.8
145.04973	3.4
145.10121	27.3
147.04434	4.0
147.08099	3.6
147.11684	39.5
149.09714	5.4
149.13246	21.5
151.03990	4.2
151.14822	2.9
155.01045	4.5
156.09399	4.3
157.10110	16.3
159.11681	22.7
161.06017	3.7
161.09656	6.1
161.13269	23.4
163.03943	7.9
163.11224	3.2
163.14847	8.6
165.09146	6.3
165.12775	6.8
169.10147	2.8
170.63344	3.7
171.11569	15.0
173.13240	21.1
175.11201	6.8
175.14825	19.5
177.05472	30.0
177.12776	5.3
177.16451	7.0
179.10623	4.8
182.15501	3.6
185.13272	10.6
187.11201	3.7
187.14911	14.8
189.12741	6.5
189.16380	24.2
191.14311	11.6
191.17928	52.2
193.08646	3.0
193.12358	3.1
197.13319	3.3
199.14809	5.4
201.16389	14.9
203.05402	4.8
203.14554	3.7
203.17924	35.0
203.19531	3.7
205.16017	3.7
205.19608	3.7
211.14854	4.1
212.16466	4.4
213.16441	13.3
215.10623	3.7
217.16003	5.4
217.19565	10.0
219.17479	3.5
227.17633	3.5
229.19565	3.6
231.17451	23.2
231.21082	4.2
239.17969	3.4
243.13670	3.7
249.18549	10.6
264.19595	4.4
267.15997	3.7
272.18674	3.5
285.17139	4.9
289.21555	3.8
289.85870	2.7
302.04211	4.1
308.96402	3.0
311.23398	3.0
369.18918	3.8
396.24023	16.3
421.34818	9.6
439.10147	10.0
439.17007	5.8
439.23135	100.0
439.35892	45.0
440.23642	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05506	8.5
57.07068	5.1
57.31797	0.8
67.05502	12.3
69.07062	14.4
71.28026	1.9
79.05484	8.5
81.06582	1.9
81.07050	32.0
83.08613	8.8
84.89068	0.9
91.05470	8.7
93.06476	1.5
93.07040	20.7
95.04914	1.3
95.08599	55.4
96.08932	1.1
97.10147	6.0
105.07025	20.4
107.08586	34.1
109.10145	34.6
111.11699	1.1
117.07005	2.1
119.08574	41.9
121.10139	30.5
123.08052	1.1
123.11703	15.3
125.05907	1.0
131.08540	4.6
133.10123	34.9
135.08049	1.2
135.11684	25.5
137.13251	12.6
137.49387	0.8
139.07513	1.3
145.10107	6.5
147.11673	32.0
149.13249	18.5
153.09103	6.5
158.84508	0.9
159.11623	5.0
161.13237	20.1
163.14803	9.3
165.09064	1.6
167.10664	4.8
171.11638	1.0
173.13191	4.7
175.14787	12.0
177.16399	6.0
179.09166	1.1
179.10683	2.5
187.14827	4.8
189.16370	45.7
191.17934	58.4
192.18333	1.8
193.12247	1.7
199.14952	1.1
201.16364	12.4
203.17943	100.0
204.18275	2.0
205.19508	10.4
207.13831	1.2
207.17368	1.3
213.16319	2.4
215.17984	11.5
217.19501	10.3
221.15364	1.1
221.19052	5.3
227.17856	2.3
229.19414	1.8
231.17448	2.1
231.21010	3.3
233.15503	1.4
235.16879	4.0
241.19499	1.7
243.21071	3.0
244.26607	0.9
245.22589	3.3
247.16913	3.3
249.18471	14.5
255.21117	1.5
257.22656	1.8
259.17017	1.3
261.18451	5.3
267.43622	1.0
269.22592	1.7
287.19946	1.5
289.21503	1.1
301.21649	2.1
315.23071	1.2
343.26178	1.1
369.27847	0.9
393.35120	6.8
439.35718	19.6
440.36050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43682	2.3
55.05507	7.6
57.07078	2.8
57.86044	1.9
67.05503	10.3
69.07067	13.2
71.01905	6.6
71.93074	2.4
79.05503	8.7
81.07047	24.8
83.08626	9.5
91.05463	11.5
93.07033	17.6
95.08604	54.1
97.10183	5.4
105.07036	22.1
107.08575	34.4
109.10139	30.6
117.07000	2.8
119.08583	40.6
121.10135	30.9
122.01412	2.2
123.11734	15.9
131.08580	4.0
133.10107	34.6
135.11684	21.3
137.13269	9.0
145.10141	4.3
147.11668	32.6
149.13249	18.4
153.09103	7.3
159.11652	3.0
161.13220	15.6
163.14799	7.7
165.09195	3.1
167.10654	3.1
175.14821	7.6
177.16388	7.9
187.14827	4.8
189.16386	42.7
191.17937	57.7
192.18358	2.7
201.16325	10.3
203.17949	100.0
204.18283	2.7
205.19562	13.1
207.13753	2.8
207.17427	3.1
215.17937	4.7
217.19470	11.8
221.19037	5.8
231.17271	2.2
231.21065	3.7
247.16891	2.4
249.18529	10.6
261.18594	2.2
269.23181	2.1
273.85217	2.1
315.35312	2.1
393.35205	5.4
439.35745	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05301	0.9
55.05511	10.4
57.07068	3.7
67.05502	13.4
69.07063	16.3
71.08611	1.0
79.05497	8.5
81.06578	1.8
81.07055	26.5
83.08601	9.4
91.05484	9.4
93.06474	1.6
93.07037	24.4
95.04956	1.1
95.08603	49.5
95.77955	1.1
97.10151	4.0
98.21546	2.9
103.05479	0.9
105.07028	23.7
107.07867	1.9
107.08593	37.2
108.23651	1.1
109.10151	28.2
117.06989	2.0
119.08574	41.8
121.10138	32.5
121.11019	1.4
123.11694	13.6
126.97424	1.1
131.08574	3.6
133.10121	36.3
135.11685	21.2
137.05925	1.0
137.13240	7.9
139.07506	2.4
143.08530	1.8
145.10095	6.6
147.10500	1.8
147.11674	33.4
149.13245	15.9
149.14368	1.3
151.14857	1.0
153.09126	5.7
157.10182	1.5
159.11661	5.6
160.12444	1.6
161.13266	18.4
163.14833	8.4
165.09087	1.2
167.10735	3.9
171.11755	1.5
173.13275	3.0
175.11137	1.3
175.14827	11.2
177.16447	6.5
187.14836	3.2
189.16373	40.9
191.17946	56.9
192.18298	1.4
192.76585	0.9
201.16379	11.6
203.17943	100.0
204.18323	2.6
205.19467	12.9
207.17340	1.5
213.16356	1.3
215.17964	6.5
217.16006	1.5
217.19475	11.3
221.15363	1.4
221.18991	4.4
229.19554	1.4
229.96161	1.3
231.17497	2.2
231.21068	3.3
235.16893	3.4
241.19504	2.1
243.20982	1.1
243.86819	1.1
245.22688	2.4
247.16904	2.5
249.18512	12.7
257.22565	1.3
261.18503	2.6
269.22626	1.5
301.21646	1.1
345.44598	0.9
347.07742	1.0
386.33527	1.3
393.35260	7.0
421.34531	1.1
439.35706	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80969	1.8
53.03951	2.2
55.05508	9.3
57.07066	4.1
67.05501	12.8
69.07068	15.9
69.43726	1.7
79.05492	6.6
81.07050	22.0
83.08612	6.6
91.05470	9.7
93.07053	23.4
95.08602	45.9
97.10162	4.1
105.07017	19.4
107.08593	30.1
109.09432	1.4
109.10146	30.1
117.07018	2.4
119.08578	37.8
121.10136	27.2
123.11699	12.9
125.09638	2.3
131.08548	4.3
133.10126	35.2
135.11688	23.3
137.13290	4.2
145.10112	7.1
147.11681	32.1
149.13232	13.8
153.09106	4.8
154.65843	1.8
159.11694	4.9
161.13245	18.0
163.14819	9.2
167.10683	2.1
171.11758	1.9
175.14780	10.9
177.16437	7.5
179.10828	2.7
181.86823	1.9
187.14796	2.4
189.16376	39.1
190.16829	2.4
191.17938	54.7
201.16367	10.0
203.17949	100.0
204.18262	2.5
205.19553	13.1
215.17929	3.3
217.19525	11.8
221.19023	4.6
231.20975	2.7
235.16933	4.4
238.03384	1.8
241.19569	2.1
247.17018	2.3
249.18436	14.3
261.18640	2.0
295.63336	1.6
393.35214	8.2
439.35635	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	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.05500	9.1
57.07066	2.3
57.12134	1.3
58.98551	1.2
60.82072	1.2
67.05496	8.2
69.07066	12.8
70.93931	1.3
76.40421	1.6
78.41335	1.4
79.05498	8.4
79.56789	1.4
80.06227	1.3
81.07053	21.9
83.08604	7.2
86.97837	1.4
91.05479	7.4
93.07047	18.1
94.42907	1.6
95.08601	39.3
97.10168	4.3
98.21452	2.8
105.07027	26.1
107.08593	30.0
109.10152	22.0
119.08569	36.4
121.10130	25.3
123.11682	9.2
131.08557	3.5
133.10129	30.8
135.11656	16.9
137.13278	2.9
139.07568	1.3
145.10085	5.5
147.11682	30.5
149.13248	13.7
153.09048	6.5
157.83101	1.4
159.11678	3.7
160.12520	2.5
161.13242	16.1
163.14784	9.0
167.10677	4.4
173.13271	1.7
173.71387	1.4
174.14034	1.5
175.14792	9.5
177.16380	5.9
179.10689	1.8
187.14833	2.8
189.16374	37.1
191.17935	61.7
193.12416	1.4
198.07343	1.5
201.16353	8.3
203.17940	100.0
204.18225	2.0
205.19498	12.3
207.17316	1.9
213.16449	2.3
215.17987	3.4
217.19475	12.0
221.19020	5.1
229.59784	1.4
231.17564	2.2
231.21130	2.8
235.16893	3.2
241.19299	1.7
247.16914	2.7
249.18532	14.4
255.21126	1.8
257.22662	2.4
270.06534	1.7
285.66245	1.5
316.89145	1.4
329.24826	1.4
369.30725	1.4
393.35101	5.8
401.32224	1.6
412.06326	1.4
439.26056	1.4
439.35718	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25853	1.8
55.05511	9.0
57.07083	4.5
61.02819	2.1
67.05501	8.7
69.07071	16.9
69.51582	15.8
70.42590	1.9
79.05492	7.0
81.07047	23.5
83.08621	6.7
91.05489	7.7
93.07040	24.9
95.08605	52.0
97.10177	3.2
105.07018	22.8
107.08591	35.5
109.10154	36.8
119.08575	37.7
121.10131	31.5
123.11714	13.9
130.68507	1.9
131.08582	3.3
133.10118	35.4
135.11691	20.6
137.13239	4.7
145.10147	4.9
147.11691	31.3
147.88783	2.3
149.13243	18.5
153.09108	7.2
159.11702	5.4
161.13248	15.9
163.14818	11.7
167.02565	1.9
167.10674	3.0
171.11699	2.1
173.13309	4.7
175.14833	13.0
177.16400	6.6
187.14822	5.5
189.16370	43.3
191.17944	62.8
193.12195	2.3
201.16371	11.3
203.17946	100.0
204.18251	3.0
205.19533	12.4
207.17529	2.0
215.17918	4.6
217.19571	10.3
221.19023	4.2
231.17409	4.1
235.16960	5.5
247.16992	2.2
249.18475	15.5
249.76981	2.0
254.47330	2.1
332.01849	2.1
393.35419	6.8
431.08203	2.3
439.35660	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.1
57.07080	4.7
67.05499	19.7
69.07059	12.9
69.68037	3.0
69.98512	16.2
72.13766	3.3
79.05499	12.1
81.07054	35.6
83.08617	9.7
86.26270	3.0
91.05473	11.8
93.07061	27.4
95.08603	66.6
97.10168	6.2
105.07021	23.2
107.08587	39.7
108.71712	3.1
109.10141	41.4
109.10829	4.2
119.08597	34.2
121.10142	29.9
123.11697	23.7
131.08528	3.7
133.10138	32.0
135.11665	22.5
137.13255	15.8
145.10127	7.7
147.11674	35.1
149.13263	15.7
153.09064	6.8
159.11674	4.4
159.65976	2.9
161.13240	16.6
163.14934	7.4
165.09137	4.0
167.10748	3.8
175.14822	10.3
177.16545	5.4
179.18004	5.7
187.14853	7.0
189.16382	45.7
191.17941	54.2
191.19571	4.1
201.16409	18.3
203.17952	100.0
204.18297	6.1
205.19531	14.0
215.17955	14.3
217.19562	12.7
235.17032	4.7
245.22585	4.4
247.16930	6.7
249.18546	10.4
257.22525	3.9
261.18488	5.5
269.22687	4.2
393.35251	8.3
439.35947	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.8
57.07061	8.1
63.72236	1.8
67.05502	11.9
69.07067	16.4
69.97250	5.6
69.97645	4.2
71.08613	3.7
77.36196	1.8
79.05471	6.0
81.07047	29.2
83.08613	7.1
89.06004	3.3
91.05463	10.5
93.07032	28.1
95.08604	55.7
95.19143	2.4
97.10185	4.8
98.20743	3.1
100.36146	1.9
105.07019	26.6
107.08582	41.9
109.10143	34.2
111.11739	2.5
119.08573	45.7
121.10131	33.9
123.11691	15.2
131.08571	4.7
133.08589	2.6
133.10109	36.6
135.11681	25.8
137.13287	4.5
145.10127	6.3
147.11676	37.0
149.13232	15.8
153.09099	5.9
159.11699	4.7
161.13266	18.6
163.14827	13.5
166.95555	2.0
167.10640	2.7
175.14795	12.8
177.16364	9.6
179.10684	2.8
180.04643	1.9
187.14851	3.8
189.16373	51.4
191.17941	61.6
201.16328	12.0
202.01666	2.0
203.17947	100.0
204.18181	2.9
205.19519	13.3
215.17912	3.1
217.19524	17.7
221.19035	5.5
231.21103	6.2
235.16910	6.0
245.22581	4.8
247.16959	3.7
249.18498	16.5
257.22794	2.8
393.34927	8.8
439.35818	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63943	1.2
55.05507	7.7
57.07058	3.2
62.27980	1.6
63.02882	1.3
66.32365	1.1
67.05499	8.9
69.07063	13.3
70.16084	6.2
74.22549	1.1
79.05478	5.4
81.07050	20.7
83.08617	7.7
91.05469	6.0
93.07037	16.0
95.08602	40.4
96.36090	1.3
97.10163	4.7
98.20804	1.3
105.07021	20.5
107.08590	29.2
109.10152	22.8
111.11663	1.9
117.07027	1.3
119.08581	31.4
121.10137	27.1
123.11716	13.1
131.08553	3.9
132.70844	1.4
133.10120	30.6
135.11690	17.8
137.13269	5.1
141.73152	1.2
145.10088	3.5
147.11676	26.6
149.13242	11.7
153.09082	5.2
159.11673	3.9
161.13280	17.2
163.14789	8.1
165.09108	1.4
167.10651	2.4
171.11926	1.2
173.13275	2.2
175.14780	11.3
177.16374	5.5
187.14848	2.7
189.14787	2.6
189.16379	37.3
191.17949	54.7
193.12244	1.7
201.16365	10.8
203.17949	100.0
204.18347	2.6
205.19469	13.9
207.17247	1.5
213.16510	2.1
215.17935	5.4
217.19530	9.6
221.18980	3.1
231.17368	2.5
231.20990	2.3
235.16985	4.5
245.22647	2.8
247.16870	1.9
249.18469	15.5
257.22449	1.3
261.18384	1.6
269.22388	2.3
277.39432	1.6
315.23148	1.4
337.57782	1.4
356.66452	1.3
393.34900	6.7
402.35709	1.6
439.35681	16.5
462.13589	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94247	1.9
52.59736	1.9
53.03915	2.4
53.23334	1.9
54.50465	1.8
55.05509	18.3
56.81343	2.2
57.03432	1.8
57.07064	9.4
65.17648	1.6
65.42307	1.8
67.05176	3.1
67.05503	41.9
69.03414	2.3
69.07062	26.8
70.82800	5.7
76.83542	1.9
79.05482	17.8
81.07050	71.2
82.07365	2.7
82.57032	1.9
83.04959	2.8
83.08614	12.2
85.02891	2.2
85.06525	2.9
91.05479	18.5
93.06472	3.5
93.07034	42.2
95.04967	4.3
95.08602	100.0
97.06546	1.9
97.10165	8.5
105.07027	37.2
107.08588	51.4
109.06519	2.4
109.10149	54.6
111.08062	2.6
117.07010	5.5
119.08568	57.8
121.09317	3.0
121.10144	38.4
123.08047	12.0
123.11694	29.8
129.07091	2.1
131.08551	14.5
133.10117	34.0
135.08032	2.6
135.11684	33.7
137.09590	3.7
137.13243	29.1
142.07771	5.4
143.08578	9.7
143.09604	2.2
145.09023	3.0
145.10104	24.2
147.04410	3.7
147.11681	39.8
149.13269	19.4
151.14799	2.9
153.09129	3.0
156.05621	2.0
156.09218	2.7
157.10118	13.7
159.11697	22.2
161.09589	3.9
161.13242	22.1
163.14822	14.3
165.12762	5.3
167.10788	2.7
169.10075	4.1
171.11726	8.2
173.11772	4.8
173.13261	15.9
174.16032	2.1
175.11188	6.1
175.14828	15.2
177.12749	3.5
177.16376	7.6
179.14287	1.9
179.17929	4.1
183.11708	2.8
185.13220	8.0
187.11200	2.0
187.14793	12.7
189.16350	34.9
191.14262	5.5
191.17924	39.7
197.13284	5.0
199.14822	17.2
201.16393	19.1
203.14325	12.0
203.17932	53.7
205.19511	7.2
207.17432	5.7
213.16359	10.7
215.14232	2.4
215.17906	18.7
217.15900	6.3
217.19496	8.2
219.17448	5.1
221.18898	2.1
225.16382	2.1
227.17941	4.9
231.17424	21.4
231.20988	3.4
233.18991	2.3
241.19524	4.3
243.17317	2.1
243.21091	2.9
249.18472	5.9
255.21034	5.5
259.16824	2.7
259.20526	3.0
261.18488	5.9
267.15906	4.5
269.22687	2.3
273.22272	2.1
289.21948	2.3
323.27380	2.0
393.34958	7.5
403.33502	4.1
421.34555	19.4
439.28070	5.0
439.35635	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.9
56.42965	1.9
56.99412	1.9
57.07058	2.3
67.05508	10.4
69.07059	12.4
69.25330	25.3
77.20061	1.8
79.05473	5.9
81.07052	23.2
83.08597	5.8
91.05463	8.9
93.07040	22.5
95.08601	49.8
97.10172	1.8
97.11449	1.9
105.07024	22.1
107.08581	36.9
109.10150	26.6
117.06997	2.5
119.08572	42.6
121.10146	28.6
123.11716	13.1
131.08568	3.2
133.10103	30.5
135.11665	18.3
137.13217	5.3
145.10110	4.9
147.11679	29.4
149.13239	16.6
153.09102	4.7
159.11703	4.2
161.13243	17.1
163.14790	9.1
173.13170	3.2
175.14792	12.9
177.16336	7.9
187.14828	2.4
189.14760	3.6
189.16374	44.9
191.17932	61.4
192.18243	2.8
193.12082	2.3
199.14680	2.3
201.16328	10.6
203.17943	100.0
204.18286	5.9
205.19543	13.1
207.17456	2.1
215.17896	4.6
217.19479	10.5
221.18945	5.6
229.19475	2.8
231.17432	3.1
231.20972	3.7
234.86371	2.7
235.16837	4.2
243.21001	3.0
245.22575	3.1
247.16925	4.2
249.18466	15.6
255.21072	3.1
261.18558	3.6
393.35034	6.8
439.35669	20.7
440.36325	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08721	1.2
55.05506	10.8
57.07066	3.4
67.05505	10.5
69.03430	1.8
69.07065	15.9
71.03114	2.6
74.44598	1.2
79.05471	10.8
81.07054	28.7
83.08615	12.1
91.05466	10.3
91.47004	1.6
93.07029	21.9
95.08598	57.1
97.10145	6.9
97.43727	1.5
97.44840	1.4
100.91399	1.3
103.25454	1.5
105.07021	21.7
107.08584	36.8
109.10144	37.9
111.08111	3.1
114.37901	1.3
117.07027	2.0
119.08568	46.5
121.10138	31.1
123.11700	15.6
131.08551	4.3
133.10120	34.5
135.11671	25.0
137.13257	7.2
145.10107	6.4
147.11691	33.4
149.13237	19.4
153.09091	5.4
159.11731	4.3
161.13261	18.8
163.14799	7.7
165.09116	1.4
165.12807	1.5
167.10698	4.7
173.13211	3.9
175.14807	10.7
177.16400	8.6
179.10806	2.0
187.14793	4.3
189.16371	52.6
191.17937	63.6
192.18330	1.6
193.12344	1.9
201.16345	12.0
203.17937	100.0
205.19519	18.9
207.13809	2.0
207.17397	3.3
213.16370	1.5
215.17952	6.4
217.19490	14.8
219.20999	1.9
221.19020	3.2
231.17386	2.4
231.21057	2.7
235.16980	5.6
243.21065	1.8
245.22748	2.3
247.17006	3.1
249.18459	13.3
261.18585	2.0
269.22415	1.8
289.12271	1.6
393.35168	8.1
439.35684	18.4
440.36227	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20172	1.2
55.05503	9.9
57.07067	3.5
57.91004	1.4
67.05495	11.4
69.07066	14.1
69.38709	9.1
69.39132	4.7
75.60389	1.6
79.05499	8.3
81.07059	26.1
83.04970	2.2
83.08604	6.3
85.17201	1.4
91.05463	8.6
93.07045	24.7
95.05029	1.7
95.08605	45.2
97.10138	4.1
102.76481	1.4
105.07027	25.0
107.08592	36.7
109.10150	29.7
110.07207	1.6
111.11719	1.9
119.08579	45.3
121.10142	29.1
123.11710	13.1
131.08578	3.8
133.09134	2.1
133.10132	37.1
135.11694	24.3
137.13248	5.4
139.07538	1.4
145.10120	6.1
147.11688	32.7
149.13264	18.7
151.14793	1.8
153.09119	4.3
155.43271	1.4
159.11684	6.7
161.13281	16.2
163.14838	12.1
167.10674	4.3
173.13268	3.3
175.14828	8.9
177.16376	5.9
179.10645	1.8
187.14838	5.2
189.16386	49.0
191.17946	61.7
192.18213	1.8
201.16377	10.8
203.17953	100.0
204.18222	2.4
205.19554	12.2
215.17963	4.5
217.19466	12.1
221.19043	4.8
231.17522	2.1
231.21138	3.8
235.16982	4.1
245.22752	2.6
247.17059	3.4
249.18503	15.4
261.18542	1.9
269.22559	1.9
393.35056	8.1
394.35153	1.6
412.15707	1.5
439.26578	5.7
439.35764	26.1
460.21991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.5
57.03436	5.1
57.07059	19.2
63.04464	5.2
67.05486	18.0
69.03405	13.8
69.07053	12.3
69.90473	27.4
70.06593	5.5
71.93535	4.8
79.05486	12.6
81.03403	23.2
81.07065	37.7
83.04972	6.1
83.08597	9.1
85.02893	14.9
85.06081	6.7
85.06544	65.0
85.71802	4.7
86.09696	11.8
87.00813	5.4
91.05465	10.8
93.07035	11.1
95.04973	11.9
95.08606	27.1
97.02877	11.1
97.06501	5.8
97.10155	7.9
98.21416	7.8
98.36426	5.0
99.08062	22.2
105.07028	14.7
108.08109	5.9
109.02880	6.5
117.07010	5.4
119.08562	8.9
121.10143	7.9
123.04417	6.0
123.08063	5.4
124.99973	9.7
127.03889	9.8
131.08546	7.8
131.75874	4.8
136.06181	100.0
136.07695	5.0
137.04599	7.0
137.06483	21.7
137.13229	22.4
143.08653	6.2
144.29446	6.3
147.11658	5.4
153.12723	5.9
155.14285	44.6
169.10104	4.9
173.15369	12.7
175.11221	4.9
184.07272	36.0
191.07111	5.9
191.14406	11.8
191.16414	28.0
244.03500	5.8
267.16977	6.2
421.22617	5.4
430.84128	5.4
439.24304	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.6
55.05502	11.7
57.03424	9.8
57.07051	4.2
67.05499	19.7
69.03421	25.5
69.07052	21.5
70.04473	21.2
70.06588	16.3
71.04974	18.5
79.05478	11.2
80.04626	3.7
81.02975	6.2
81.03412	54.3
81.07040	28.8
83.98766	3.9
85.02896	49.0
85.06561	4.3
85.51118	4.9
86.09703	12.0
89.06055	7.9
90.70845	3.7
91.05475	9.0
93.07024	11.4
95.04934	5.8
95.08601	81.0
97.02892	60.6
97.06541	12.5
97.10168	12.3
99.04448	20.4
99.08074	13.6
104.10725	11.0
105.07025	14.3
106.44379	3.7
107.08568	23.1
108.08114	4.5
109.02874	60.2
109.06539	19.2
109.10187	8.9
111.11716	9.3
113.09624	100.0
114.09186	4.6
117.06984	6.6
119.08574	13.2
121.06459	4.5
121.10149	15.7
123.08083	5.1
123.11709	7.0
125.98225	3.8
127.03902	93.4
131.08574	10.9
133.10138	11.2
135.08002	5.4
135.11723	6.6
136.06180	43.5
137.06534	13.8
137.09607	4.7
137.13258	18.4
145.06412	5.7
147.11653	5.3
149.09589	5.1
149.13246	13.5
151.11168	13.6
155.14301	13.0
163.14876	7.0
173.13203	21.7
173.15355	58.4
176.66280	5.2
183.14929	4.9
184.07346	10.6
191.14273	10.3
191.16438	14.4
206.99428	3.6
209.15327	7.8
213.03925	20.8
233.03613	4.4
275.32800	3.8
280.19019	5.3
439.23962	10.0
455.86179	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	438.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01866	0.4
55.05492	1.0
57.03415	0.7
67.05496	1.5
69.03430	0.5
69.07043	0.4
70.06573	0.3
70.38657	0.9
71.04987	0.2
79.05483	1.6
79.98170	0.2
81.03412	8.8
81.07052	1.6
83.04961	0.6
83.08615	1.8
84.04480	0.3
85.02876	0.5
86.09695	0.4
90.35826	0.2
91.05486	2.1
93.07031	1.0
94.04027	0.2
95.04960	2.3
95.08585	0.7
97.02880	0.4
98.21495	0.3
105.07021	1.1
107.04953	0.6
107.08604	0.5
109.02868	0.2
109.06523	0.3
109.10148	0.6
111.08057	1.0
119.03521	0.8
119.08569	1.4
121.10146	0.6
129.06989	1.0
131.08574	0.8
133.06509	0.3
133.10095	0.6
135.11760	0.2
136.06175	100.0
137.04553	0.7
137.06561	0.4
137.09596	0.3
145.10156	0.3
147.08083	0.3
147.11656	0.6
149.09586	0.5
152.05676	0.9
157.10094	1.0
168.70877	0.3
175.11224	1.3
193.12233	5.4
211.13306	0.6
267.15869	2.5
280.08383	0.2
285.16953	1.1
379.68436	0.2
420.22433	2.5
438.23608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01864	0.4
55.05496	0.8
57.03408	0.5
67.05496	1.0
69.03419	0.6
69.07066	0.4
70.06582	0.4
70.39151	0.4
71.59347	0.2
79.05494	1.4
81.03415	8.7
81.07037	1.4
83.04957	0.6
83.08617	2.2
85.02890	0.4
85.05147	0.2
86.09688	0.4
91.05478	2.0
93.07050	0.7
95.04966	3.3
95.08604	0.8
97.02892	0.8
105.07054	1.3
107.04936	0.7
107.08601	0.5
109.06498	0.3
109.10149	0.3
111.08083	0.7
116.41609	0.2
119.03532	0.7
119.08582	1.4
120.08145	0.3
121.10120	0.5
127.03916	0.3
129.06998	1.2
131.08563	1.1
133.06421	0.5
133.10133	0.7
136.06178	100.0
137.04593	1.3
137.06572	0.5
142.07724	0.2
147.08014	0.7
147.11691	0.7
149.09601	0.5
151.07433	0.2
152.05716	0.5
155.73271	0.2
157.10144	1.2
165.12791	0.2
174.07745	0.3
175.11224	1.2
193.12230	5.9
211.13165	1.0
267.15912	2.3
285.16898	1.1
420.22360	2.6
438.23792	1.2
460.06097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.5
57.03426	6.0
57.07072	95.8
59.04990	6.1
67.05510	11.9
69.03423	6.7
69.07076	20.2
69.40465	8.4
69.40869	38.8
70.06595	8.7
71.04973	6.0
79.05497	9.8
81.03422	11.4
81.07060	49.5
83.08644	4.8
84.73128	4.4
85.02908	14.2
85.06551	29.1
91.05462	6.4
93.07039	5.7
95.08600	33.9
97.02910	5.2
97.10186	24.2
99.08092	63.5
105.02970	5.8
105.07000	5.9
108.08125	5.8
119.08570	8.6
120.08033	6.9
120.46524	5.1
131.08557	5.1
136.06186	39.7
137.06570	9.5
137.13226	25.9
145.10141	5.1
147.04401	5.2
155.14313	100.0
173.13281	11.3
173.15367	25.4
175.14789	8.6
183.37312	4.6
191.16428	49.7
237.14473	7.0
246.14983	8.7
354.43442	5.3
414.48712	5.0
439.24182	7.9
446.61655	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2173
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.14169	9.1
56.39675	11.0
57.03438	11.3
58.06632	10.2
58.92207	10.5
67.05508	100.0
69.03419	34.0
69.07049	19.6
70.03809	11.6
70.06570	48.2
70.17398	50.5
72.08083	12.5
73.02877	15.0
79.05482	17.4
81.03394	12.8
81.07037	36.7
84.08147	20.1
85.02908	60.6
86.09711	41.4
93.07038	16.8
95.08582	19.7
97.02892	32.8
105.07036	23.6
107.08558	22.6
109.02850	18.0
109.10165	71.7
110.07114	17.2
111.04543	13.0
111.08018	10.6
119.08568	16.9
120.08096	14.4
120.86954	10.6
127.03897	24.2
128.07071	12.3
131.08488	13.6
133.10146	13.1
136.06157	22.4
147.04440	14.0
152.07130	13.6
159.11554	11.2
173.13239	22.0
174.86682	14.0
191.14342	53.1
213.15909	20.8
222.10901	12.0
246.59305	11.7
259.13562	12.3
336.31537	11.9
339.59000	13.9
340.57385	10.5
439.11758	34.2
439.24133	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04498	2.2
55.05501	6.8
67.05494	6.6
69.03413	7.0
69.07052	11.2
69.29404	2.3
70.18147	11.1
71.08628	43.4
79.05450	4.0
81.03406	6.7
81.07053	8.8
85.02885	17.2
87.00821	8.9
90.15099	2.4
91.05477	6.7
93.07041	5.1
94.80227	2.8
95.08579	15.5
97.02888	8.3
97.10143	2.8
99.04458	3.6
99.08086	100.0
105.01862	7.5
105.07032	9.2
107.08564	8.8
109.02854	5.0
109.10132	8.1
110.30006	3.0
117.78245	2.5
119.08556	14.0
120.08907	4.7
121.10125	7.6
122.10424	3.4
123.11681	2.6
127.03909	11.5
128.19359	2.8
129.12750	9.8
131.08534	3.5
133.10135	8.5
135.11681	4.7
136.64938	2.5
138.60555	2.7
143.08580	2.6
145.04979	3.5
145.10063	6.2
147.11667	7.9
149.13150	3.3
155.08569	6.8
155.14305	2.6
159.11647	4.6
171.52715	2.6
173.15353	56.1
175.14777	2.5
189.16341	4.5
201.16313	5.5
202.16727	4.0
203.17950	6.9
215.17862	3.2
216.00798	2.4
289.79300	3.0
352.16669	2.4
392.33951	2.7
438.34540	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39592	1.9
55.01877	4.9
55.05518	2.5
56.05028	9.9
57.03439	4.9
57.93045	2.3
57.98806	2.3
58.99589	19.2
60.04531	2.9
61.01146	3.3
64.26499	2.2
67.05505	5.0
68.05025	7.3
69.03427	3.1
69.07066	3.0
70.02958	8.1
71.04987	3.1
71.20746	4.5
72.04519	7.5
74.00667	16.8
76.02229	31.2
76.04004	7.9
76.28782	2.3
79.05497	5.3
80.05031	7.3
81.03429	3.8
81.05814	3.6
81.07048	3.4
82.06583	3.2
83.06111	7.8
84.04506	100.0
84.08140	3.1
85.01125	38.9
85.02911	9.5
85.04044	5.0
86.00654	36.4
86.99051	69.9
87.01428	2.6
88.02210	7.0
89.00598	2.7
93.07043	5.6
95.04988	4.0
96.04533	3.2
97.01121	6.6
97.06528	27.3
98.02620	2.2
98.06048	3.3
99.05570	4.1
100.02180	5.2
102.03766	15.8
102.05549	15.9
105.07027	10.3
105.94221	2.5
108.04565	3.0
108.08166	3.7
109.07635	3.4
112.02203	26.4
113.00574	4.0
114.03793	12.9
114.04488	2.1
114.05476	4.6
116.01677	26.6
117.07003	3.5
119.08602	3.5
121.10143	6.2
124.02189	2.5
126.03780	3.8
127.02127	5.2
129.06610	6.6
130.03212	13.4
130.04984	37.3
131.04546	3.4
142.03210	19.5
143.02740	35.8
144.01100	11.1
145.06096	5.6
145.56702	2.2
149.13274	4.1
153.06625	3.1
155.08160	5.9
158.02669	4.8
159.11716	12.3
161.13286	6.0
162.02174	18.4
168.04962	3.1
169.04347	9.0
170.02748	4.1
170.06351	10.3
171.02217	7.6
171.06940	2.2
172.07826	3.2
177.03322	6.9
177.12697	12.6
179.04871	14.6
179.14297	5.0
181.06044	5.7
185.03783	2.8
187.05298	2.8
188.03777	8.7
188.07474	5.5
189.03285	90.4
196.04306	8.0
200.03842	2.3
205.06459	6.0
205.12299	3.8
206.08496	5.7
215.04855	43.2
217.06422	17.2
223.13350	17.4
224.03740	7.0
231.04462	2.8
233.05888	12.3
241.14360	5.8
243.04327	2.5
257.09711	5.1
287.06992	12.4
291.10080	33.5
345.11194	3.3
402.42337	2.4
420.13989	3.5
438.15305	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05503	12.4
57.07058	6.6
61.89538	1.3
67.05500	21.3
69.07066	22.5
70.10810	3.2
70.11225	4.4
70.93398	1.4
71.08620	2.0
77.81150	1.7
79.05486	13.8
81.06586	3.4
81.07053	61.3
83.08608	8.8
91.05471	14.1
93.07040	25.6
95.04974	2.3
95.08599	91.5
96.08912	1.8
97.10175	3.8
105.07019	33.3
107.08588	41.0
109.10146	44.1
117.06982	7.1
119.01629	1.4
119.08570	56.5
121.10126	28.5
123.11699	24.8
129.07005	3.7
131.08551	18.6
133.10121	35.7
135.11662	18.1
137.13242	15.9
143.08546	9.8
145.10104	37.7
147.11667	29.6
149.13252	17.1
151.07501	1.8
151.14787	11.2
155.08575	2.4
156.09343	3.2
157.10089	11.4
159.11684	21.1
161.13234	20.7
163.07658	1.5
163.14804	20.2
169.10129	6.8
171.11664	16.9
173.09686	1.8
173.13225	22.3
175.14807	32.9
175.16286	2.6
177.16344	9.4
181.10216	1.9
183.11655	7.8
185.13235	9.2
187.14766	9.0
189.16367	28.3
191.17944	24.3
197.13245	3.8
199.14864	10.2
201.16374	48.7
203.17955	39.5
205.19601	3.0
211.14818	5.1
213.16368	11.8
215.17885	18.5
217.19524	5.9
221.15375	3.6
223.14964	1.9
225.16341	5.0
227.17929	3.9
229.19583	7.4
229.21527	1.5
235.16843	3.4
237.16402	2.8
239.17880	12.3
241.19514	29.5
243.21094	16.1
245.15355	3.3
247.16977	9.0
250.76172	1.7
253.19502	9.0
255.21002	9.0
259.16946	6.5
259.20572	3.8
261.18564	2.4
265.19562	2.9
267.20999	6.1
269.22525	3.6
271.16864	3.3
273.18512	4.3
273.21924	1.6
279.20950	2.8
281.22562	5.7
285.18466	12.5
287.20013	7.9
295.24155	4.5
299.19879	7.6
301.21674	3.4
307.24103	3.7
313.21637	6.9
321.25836	2.7
335.27350	7.6
339.23105	2.3
348.65222	1.5
349.28784	1.9
353.24924	4.5
367.26129	2.4
381.27716	2.6
391.33569	30.7
392.34000	2.1
413.69415	1.7
419.27921	3.1
419.33206	1.9
437.34128	100.0
437.54776	1.7
438.34464	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	438.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40897	2.5
55.01864	6.1
55.05493	2.1
56.05028	10.1
58.44057	2.4
58.99590	16.7
61.01143	4.0
63.75953	2.3
65.33231	2.3
67.05494	5.3
68.05017	3.9
69.03418	3.7
69.07052	6.3
70.02929	7.3
70.06591	4.0
70.36323	4.3
70.36711	4.7
71.04969	3.8
72.04517	4.6
74.00658	13.3
74.02427	3.4
74.06072	2.8
76.02226	30.3
76.04017	10.6
79.05475	5.1
80.05016	7.5
81.05836	3.6
81.07061	3.1
82.06585	3.2
83.06115	6.0
84.04506	100.0
84.08168	2.6
85.01122	37.5
85.02895	7.2
85.04011	5.9
86.00648	30.9
86.99049	68.7
88.02219	3.5
89.00616	4.6
91.05444	4.2
92.01740	3.5
92.08588	2.2
93.07043	4.3
94.04376	2.4
95.04968	4.6
95.08607	2.8
96.04465	4.2
97.01103	6.8
97.06522	46.0
98.06055	6.6
99.02681	2.4
99.05566	3.4
100.02225	4.4
102.03777	15.4
102.05544	16.3
105.07060	3.4
108.04453	4.1
109.07652	4.9
112.02197	28.6
112.03946	2.6
112.07575	2.9
114.00153	2.6
114.03747	22.3
114.05503	9.4
116.01677	32.2
119.08514	2.2
120.08083	5.5
124.07565	2.7
127.02129	6.6
128.05272	4.1
129.06596	6.3
130.03267	14.0
130.04999	36.5
131.04506	2.9
132.01161	4.4
136.07579	2.7
137.08342	4.2
138.52521	2.0
140.01622	5.1
142.03212	23.9
143.02734	31.0
144.01134	10.7
144.04791	2.9
144.92076	2.4
145.06059	5.5
146.02736	2.8
147.04396	5.2
149.13182	3.6
153.06543	3.5
155.08145	7.3
156.06607	3.1
158.02724	6.1
159.11751	5.6
162.02184	19.5
169.04266	4.7
170.06400	9.7
171.02248	8.2
171.07484	2.1
172.07875	2.8
177.03255	11.0
177.12769	5.5
179.04881	12.9
181.06087	5.2
185.03850	2.9
188.03738	2.8
188.07399	7.8
189.03275	84.3
196.04370	10.6
199.07256	3.4
205.06436	6.2
206.08476	5.3
215.04846	46.2
215.06770	4.2
217.06407	32.9
223.13470	5.2
224.03752	4.0
231.04378	4.2
232.05003	3.4
233.05916	7.2
241.06531	3.1
245.05762	3.0
257.09579	18.8
270.62930	2.6
273.09171	3.0
287.07019	14.7
291.10083	55.6
304.33429	2.7
334.10852	2.6
345.07620	3.5
345.11353	3.2
362.10019	5.0
438.15662	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05515	16.8
57.07071	6.9
67.05502	23.7
69.07063	26.9
69.23492	22.5
69.23917	8.3
75.28979	2.7
79.05486	18.4
81.07054	62.0
83.08618	10.8
91.05481	16.9
93.07037	49.0
95.04989	2.7
95.08605	99.5
97.10168	4.6
105.07030	48.8
107.08589	71.0
108.08923	2.7
109.09460	4.5
109.10155	51.5
111.11713	3.1
117.07031	5.9
119.08578	50.7
119.09370	4.3
121.10139	62.9
123.11700	20.1
128.06213	3.5
129.07040	5.0
131.08583	21.9
133.10133	38.2
135.11668	36.0
137.13248	15.9
143.08551	9.3
145.10121	35.8
147.11707	32.5
149.13252	35.0
151.14862	3.0
157.10117	11.4
159.11656	31.6
161.13229	22.4
163.14810	12.5
169.10139	4.3
171.11667	17.4
173.13272	15.3
175.14810	26.1
177.16402	26.5
183.11694	6.8
185.13283	18.9
187.14798	27.6
189.16353	29.2
191.17944	11.5
195.11641	3.1
197.13208	6.6
199.14813	15.1
201.16386	30.9
203.17934	41.7
205.19469	3.4
211.14807	8.6
213.16475	14.2
215.17967	19.4
217.19553	7.8
225.16357	7.1
227.18030	6.3
229.19530	7.3
239.17998	11.1
241.19482	14.4
243.20999	3.1
253.19502	5.6
255.21143	3.9
259.16895	9.4
267.21063	5.8
269.22644	3.9
273.18527	3.3
281.22549	7.1
285.18631	6.0
287.19986	5.3
299.20071	4.0
313.21729	5.8
327.23184	4.5
353.24802	3.8
381.27914	4.9
391.33594	25.6
401.29361	3.5
437.34134	100.0
438.34439	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
57.07068	4.4
62.74533	3.9
67.05503	20.0
69.07070	26.4
69.50098	11.7
69.50526	25.5
79.05487	11.2
81.07055	48.4
83.08645	7.7
88.49726	3.8
91.05486	13.4
93.07043	30.6
95.08607	100.0
97.10154	4.6
105.07035	29.9
107.08594	36.5
109.10159	34.1
117.07082	6.3
119.08579	52.5
121.10118	35.4
123.11718	23.0
131.08586	14.7
133.10168	29.9
135.11702	18.7
137.13260	12.1
140.76822	4.6
143.08534	7.4
145.10117	42.5
147.11703	24.1
149.13254	20.5
151.14792	11.4
157.10107	10.4
159.11708	18.5
161.13295	17.1
163.14806	14.6
169.10304	4.8
171.11697	10.4
173.13255	11.9
175.14792	28.4
177.16374	14.3
183.11691	6.8
185.13307	7.1
187.14764	5.9
189.16411	29.7
191.17947	17.0
196.62756	4.8
197.99565	5.5
199.14821	12.1
201.16397	40.2
203.17937	40.1
213.16386	13.6
215.17972	16.9
217.19534	9.9
219.22760	4.2
225.16345	5.9
229.19635	4.9
239.17978	12.0
241.19551	23.7
243.21072	17.7
247.16891	11.2
253.19614	6.7
255.21118	7.7
265.19388	5.0
267.21124	7.2
273.18436	4.7
285.18567	16.0
295.23956	6.7
299.20117	8.0
335.27158	7.9
391.33594	25.2
437.34128	95.0
438.34573	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05508	11.9
57.07061	3.6
65.03925	1.5
67.05500	26.7
69.03416	1.7
69.07062	24.0
69.61218	10.4
70.06587	2.1
71.08623	2.6
79.05486	19.7
81.03400	2.7
81.07047	46.6
81.07525	3.0
83.08613	10.7
85.02873	3.0
91.05468	18.4
93.06477	2.3
93.07037	38.7
94.21286	1.4
95.04987	3.6
95.08598	73.1
97.02876	2.6
97.06526	2.3
97.10161	5.2
99.08070	3.8
105.07016	45.4
107.04951	1.7
107.08585	51.7
109.10145	49.4
111.08047	1.6
111.11696	2.1
116.98661	1.3
117.07014	7.7
119.08571	63.9
121.10136	39.3
123.08125	1.3
123.11692	9.7
127.03872	1.5
128.06215	2.3
129.06982	4.6
130.07835	1.3
131.08549	25.6
133.10118	48.5
134.10518	1.4
135.08032	1.8
135.11674	21.9
137.09596	1.5
137.13205	6.3
142.07715	1.5
143.08574	8.7
144.09337	1.5
145.06499	1.3
145.10118	39.6
147.11670	36.9
149.13242	17.3
153.09103	3.0
155.08516	12.4
156.09242	1.6
156.85455	1.4
157.10124	12.5
158.10924	1.9
159.11684	41.9
161.13242	21.6
163.11128	3.1
163.14783	14.6
169.10117	3.6
170.10867	1.4
171.11679	8.3
173.09598	2.0
173.13251	30.6
173.14784	2.0
173.15466	2.3
174.13954	1.4
175.14816	29.5
177.16360	19.8
179.10539	1.5
183.11649	4.8
183.25758	1.3
185.13257	7.9
186.14023	1.6
187.14803	18.4
189.16370	63.0
190.16618	1.4
191.10692	1.4
191.18021	8.2
193.15935	1.6
197.13225	3.6
199.14760	7.8
201.16368	46.8
203.17940	47.4
204.18248	1.4
205.15872	1.6
205.19475	1.9
209.13336	1.7
211.14868	3.7
213.16330	9.6
215.17935	43.9
215.19925	2.8
217.15891	1.3
217.19414	6.9
221.15384	3.8
225.16362	5.4
227.17877	8.4
229.19492	10.0
231.17548	1.6
233.15428	1.6
235.16887	3.5
237.16402	2.2
239.17892	7.1
241.19437	6.5
243.21147	6.2
247.16959	4.5
250.09723	3.3
253.19463	4.2
255.21074	6.0
259.17078	2.8
261.18384	3.9
265.19586	1.7
267.21088	4.7
269.22525	2.3
273.18518	3.5
275.20178	1.5
281.22656	5.2
283.06018	2.7
283.24225	2.2
287.20026	3.0
293.22830	1.7
295.24268	2.6
301.21762	1.5
303.86728	1.5
309.25903	1.8
315.23187	1.7
325.21805	1.5
327.23035	3.1
341.24722	1.6
349.29065	1.6
355.26157	1.9
367.26251	2.0
381.27908	1.5
391.33585	34.3
401.31860	1.6
419.33148	2.8
437.34125	100.0
438.34589	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05510	20.0
57.03442	2.3
57.07067	6.8
58.05507	1.8
59.04996	3.0
64.21124	2.1
65.03928	2.6
67.05502	41.3
69.03400	2.4
69.07060	26.7
70.15806	5.0
70.16220	7.1
70.35638	1.9
79.05489	18.5
81.03418	4.9
81.07056	64.4
83.04947	2.3
83.08611	11.6
91.05470	25.9
93.07037	41.9
95.04984	5.3
95.08604	87.5
96.08927	3.8
97.02887	2.6
97.06525	2.9
97.10156	5.9
98.20824	2.4
103.05450	3.0
105.07034	52.5
107.04946	3.8
107.08591	51.0
108.08906	2.4
109.06535	4.5
109.10151	57.6
110.10500	2.4
111.08055	3.5
115.05509	2.0
117.07017	9.2
119.08577	72.5
120.08901	5.1
121.06517	1.9
121.10143	31.7
123.08096	2.3
123.11726	18.0
128.06180	2.2
128.98511	2.7
129.07056	4.0
131.08577	20.9
133.10124	52.0
134.10425	2.4
135.08002	2.1
135.11685	20.7
136.06190	2.0
137.13274	10.2
142.07809	2.3
143.08571	8.9
145.10120	45.3
146.10555	2.5
147.11679	32.7
149.13237	17.7
151.14804	3.6
153.09166	2.3
155.08578	3.4
157.10069	12.2
159.11696	27.9
161.13264	25.9
162.07768	4.9
163.11194	8.3
163.14801	17.6
165.09190	2.1
169.10152	6.0
171.11665	10.8
173.11803	4.0
173.13228	25.7
175.14825	30.4
176.15184	2.4
177.16402	16.4
179.10582	2.6
183.11716	5.6
185.13272	7.6
187.14816	15.1
189.16377	52.6
190.16812	2.7
191.18005	13.9
193.05070	2.3
197.13292	4.8
199.14859	8.2
201.16379	54.5
202.16673	2.7
203.17957	45.7
205.19492	2.5
207.17537	3.0
211.14909	3.4
212.15446	3.0
213.16367	9.3
214.16801	2.2
215.17949	26.8
217.19576	4.5
219.17368	3.3
221.15370	3.2
223.14867	2.7
225.16399	5.0
227.12810	6.9
227.17943	4.5
229.19450	9.8
235.16925	4.1
239.18002	8.8
241.12318	2.3
241.19527	11.2
243.21053	10.9
247.16939	8.4
253.19583	5.3
255.21117	6.6
259.16934	2.5
267.21075	5.5
269.22662	3.8
275.20331	4.2
279.21054	3.7
281.22681	4.0
285.18515	7.3
287.20013	3.6
289.21878	2.3
295.24396	3.5
299.20111	4.8
307.24200	2.8
313.21371	3.9
321.25919	2.5
327.22888	2.9
335.27310	2.8
391.33612	31.5
437.19705	3.7
437.24768	4.9
437.34113	100.0
438.34518	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	437.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05502	3.7
55.15653	1.4
57.03424	1.4
65.25538	1.4
67.05518	2.6
70.06577	3.4
72.04514	35.1
73.02914	1.4
77.27699	1.5
81.03400	2.8
81.07063	3.7
83.04991	1.5
83.08614	3.5
84.04524	1.5
85.02900	1.6
86.09700	6.8
88.03996	2.9
91.05476	6.1
92.05011	9.4
93.05786	2.2
93.07037	3.0
94.06555	2.1
95.04972	3.9
100.11270	1.7
105.06979	1.5
106.06557	5.0
107.08560	2.0
115.05464	1.6
117.05798	2.4
118.06541	41.2
119.07323	2.9
119.08606	2.2
120.08123	5.3
130.06454	3.0
131.07315	3.4
132.08072	5.3
136.06175	22.7
144.08095	7.9
145.08835	1.7
145.10150	1.5
146.09612	3.8
147.07971	1.6
158.09708	2.2
167.06964	2.0
173.05916	1.6
189.10240	3.4
193.12300	2.1
202.15889	9.1
230.15390	100.0
231.15533	1.9
248.16478	15.9
256.16992	2.5
261.60223	1.6
274.18033	14.2
289.19058	1.7
300.15906	5.0
301.19016	8.1
304.19028	8.4
317.18542	3.3
319.20175	22.2
322.19901	3.3
327.17090	7.4
328.15488	2.5
345.18118	24.9
348.21783	9.2
363.18893	1.9
375.22763	43.9
376.22949	2.0
393.23837	32.5
394.24097	1.8
419.16098	3.9
419.21765	79.0
420.19940	12.0
437.22815	31.7
437.33594	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	437.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05501	5.1
58.22492	1.2
62.37898	1.2
64.86351	1.2
65.05394	1.2
66.77755	1.1
67.05495	2.0
68.40142	1.3
69.07071	1.7
70.06573	1.7
70.28926	1.1
71.57745	1.8
72.04518	34.8
75.46817	1.3
79.05493	1.9
81.03416	3.4
81.07034	1.4
83.08586	1.7
85.02881	1.3
86.09690	2.5
91.05480	6.0
92.04993	11.5
93.05782	1.6
94.06575	2.5
94.17397	1.6
95.08606	1.9
100.11268	3.0
101.11554	1.8
105.07040	2.0
106.06554	5.4
111.50384	1.4
117.05794	3.9
118.06535	38.9
119.07339	2.0
119.08594	1.7
120.08073	3.9
130.06532	2.4
131.07297	4.8
132.08080	4.6
134.09698	1.4
136.06194	11.6
137.05879	1.7
144.08081	7.8
145.08862	2.8
146.09656	2.5
147.04428	1.9
159.11917	1.3
163.11258	1.7
183.15773	1.6
189.10260	3.7
202.15898	10.7
210.16788	1.9
211.15186	2.2
230.15393	100.0
231.15747	2.3
248.16441	15.0
256.17032	1.8
274.17999	15.3
289.19208	2.1
300.15903	4.2
301.19162	7.3
304.19034	10.4
319.20203	20.1
322.20148	3.2
327.16943	6.1
328.15271	3.0
345.18057	26.9
348.21716	10.5
363.19373	3.4
375.22775	54.6
376.22983	3.5
393.23822	34.6
419.21744	75.1
420.20251	11.8
423.01282	1.8
437.22916	32.2
437.33792	4.7
438.23148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74018	2.4
53.03937	10.8
55.01863	10.3
55.05500	10.6
55.93105	2.2
57.03422	8.9
61.02929	12.6
67.05486	6.8
68.99788	14.5
69.03425	46.1
69.07078	11.5
70.06589	6.9
71.04982	8.7
72.08134	6.3
73.02916	4.4
79.05482	15.4
81.03412	65.5
81.07050	12.8
83.04967	8.8
83.08628	2.7
85.02897	52.3
86.09708	4.7
87.00832	25.1
87.45467	2.6
91.05476	28.8
91.06029	3.3
93.07051	19.0
95.04968	13.4
95.08590	10.4
97.02879	54.4
97.06517	2.3
99.04451	21.0
103.03986	3.6
103.05453	4.6
105.01833	11.3
105.06306	3.1
105.07020	50.3
107.04968	7.8
107.08577	24.3
109.02870	50.2
109.06495	7.1
109.10133	5.7
111.04424	8.6
115.03908	4.7
115.05410	4.0
117.06989	14.8
118.06561	2.8
119.04908	3.9
119.08569	75.5
120.08115	11.3
120.08839	3.1
121.06499	8.9
121.10136	16.3
123.04404	7.0
123.08042	6.3
127.03907	72.3
128.06212	9.4
129.01848	14.1
129.05498	3.1
129.07001	9.2
130.07765	4.5
131.08556	30.2
132.09373	3.2
133.06477	10.5
133.10121	45.0
135.08049	6.9
135.11696	25.0
136.06181	6.9
136.07573	2.9
136.12000	6.4
137.05981	3.4
137.09576	5.2
141.06984	5.2
142.07745	7.7
143.08574	18.0
144.09323	8.3
145.02861	7.7
145.04958	8.6
145.06445	6.1
145.10114	24.6
147.02916	6.3
147.04340	5.3
147.08055	17.8
147.11673	33.6
149.09615	9.2
149.13329	3.1
151.07486	3.1
153.07001	2.8
155.08556	7.9
156.09326	28.4
157.10107	14.8
158.10886	4.5
159.08011	5.4
159.11681	31.3
160.08716	3.2
160.12299	3.0
161.06010	3.2
161.09641	11.5
161.13239	89.9
162.13605	2.5
165.12810	2.8
167.08528	3.1
168.09250	3.5
169.09985	5.5
170.10889	8.0
171.02936	3.3
171.08018	4.4
171.11673	49.7
173.04457	8.6
173.09644	9.5
173.13200	19.0
174.10417	6.0
175.11139	16.9
175.79608	2.6
177.05496	10.4
181.10083	3.9
183.11687	5.7
184.08861	2.7
185.09650	3.1
185.13226	16.2
187.11188	19.4
187.46973	3.0
189.12726	100.0
190.13193	4.2
193.10130	3.3
195.08104	2.6
195.11703	3.2
197.13223	5.5
199.11192	4.2
201.04021	2.5
201.12657	11.3
202.15921	3.3
203.14259	7.0
207.13757	12.1
209.13353	3.9
211.11179	3.7
213.03961	5.1
213.12697	13.2
215.10550	4.2
215.14302	3.9
223.11206	2.9
223.14795	2.7
225.12761	4.9
227.14337	9.3
229.12047	2.8
230.15363	5.7
231.05009	4.6
231.13797	26.0
251.14349	5.0
255.13814	6.0
257.12982	2.5
257.16190	2.4
259.04483	7.3
269.15338	6.5
273.14764	5.6
279.13657	3.1
297.14850	8.8
315.15631	3.5
330.89127	2.3
333.17032	5.1
351.17999	9.0
373.16299	3.5
391.17398	9.3
393.18988	3.7
419.16916	7.6
419.21832	3.8
437.18051	33.6
437.23376	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
55.65763	1.5
65.90096	1.3
65.91322	1.6
67.05498	4.1
69.03419	4.8
69.82568	1.4
70.96848	2.2
70.97176	3.2
71.04988	2.2
74.43140	1.3
79.05500	7.4
81.03418	2.8
81.07053	2.3
85.02894	14.4
91.05498	6.4
93.07041	44.4
95.04985	2.4
95.08607	36.3
97.02882	4.5
99.04469	1.8
102.23623	1.6
105.07041	6.1
107.08595	3.5
109.02924	1.8
112.43333	1.5
119.08606	4.9
121.10140	100.0
122.10524	2.0
123.08084	10.8
127.03940	2.8
133.10101	2.1
135.08078	1.8
145.04936	2.9
147.11693	5.1
159.11707	2.9
169.08601	66.9
175.11235	6.6
203.10797	2.3
221.11725	6.1
239.12784	29.8
275.92270	1.6
304.99600	1.5
403.36218	1.7
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
53.03941	14.4
53.61776	4.5
55.01870	10.5
55.05495	7.5
55.73944	4.0
57.03383	4.7
58.66758	4.1
58.85382	3.7
59.50101	4.3
61.02922	8.3
64.67144	4.5
65.17237	4.3
67.05499	10.7
68.99786	5.2
69.03426	36.8
69.07066	8.1
70.06595	7.5
71.04986	7.5
71.56892	4.6
73.02910	11.5
79.05498	18.8
81.03411	32.9
81.07050	18.8
83.04979	6.9
83.08607	8.7
85.02905	91.8
86.09695	15.6
87.00835	33.6
91.05476	24.1
93.07040	83.9
95.04944	13.4
95.08620	16.1
97.02898	34.2
97.06538	18.1
97.84831	4.9
99.04450	18.1
101.09619	5.9
105.01864	35.6
105.07039	11.9
107.04969	6.3
107.08589	99.7
109.02893	33.6
109.06521	6.9
109.10180	20.0
117.01879	4.1
117.07008	6.0
120.08115	7.7
123.11691	7.1
124.99997	6.1
127.03934	67.0
129.01811	5.7
133.10074	8.1
135.11688	100.0
137.05971	36.5
138.06332	5.6
145.04956	38.2
147.04448	7.3
151.89209	5.6
153.12729	31.9
159.02892	16.1
171.13799	36.4
175.07732	6.3
181.04999	6.7
184.07315	16.0
211.12480	4.4
227.11862	14.2
230.15303	5.1
231.05034	11.4
235.00615	11.1
253.01631	7.5
256.06854	8.6
274.07889	5.9
291.03394	8.4
303.04984	6.2
304.05350	12.0
315.13501	14.2
319.02777	45.2
320.02884	7.1
347.02200	42.2
348.02533	5.3
392.68475	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
56.24480	1.2
57.76828	1.1
57.95065	1.2
66.29795	1.1
67.04645	1.1
69.03404	2.3
69.07039	2.4
70.61975	2.3
71.04984	12.6
73.06536	4.0
79.05467	5.6
81.03403	1.6
81.07049	16.2
85.02901	4.7
87.00851	2.2
89.10563	1.1
91.05453	1.8
93.07031	12.7
94.92226	1.1
95.08576	2.6
97.02869	1.6
97.06554	2.0
100.11264	1.3
105.01819	2.0
105.06981	1.2
107.08578	8.4
113.85973	1.2
127.03910	1.8
135.11681	21.7
153.12729	100.0
154.12994	1.9
167.07002	3.6
168.07355	3.3
181.02435	1.3
181.04967	6.5
181.45740	1.2
182.05307	4.5
188.12007	1.3
233.08061	3.3
234.08423	4.6
235.15280	1.2
311.73584	1.2
349.10449	1.5
418.15692	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
54.84750	3.6
55.01859	8.9
55.05499	13.9
57.03418	10.6
59.04987	2.9
61.02929	6.0
65.03934	3.3
67.05500	17.0
69.03428	35.2
69.07051	7.7
69.85263	13.3
70.06575	9.8
71.04993	18.5
73.02908	10.3
79.05482	9.6
81.03414	30.5
81.07047	24.9
83.04990	6.6
83.08604	22.1
84.08142	3.8
85.02378	4.3
85.02895	79.8
86.09686	13.1
87.00834	37.2
91.05473	12.9
93.07039	52.0
94.18227	2.6
95.04987	6.8
95.08602	27.4
97.02879	31.8
97.06530	22.7
99.04441	11.0
101.09657	9.6
105.01854	32.3
105.07014	7.4
107.04937	4.5
107.08578	67.7
109.02872	23.6
109.06506	4.1
109.10149	33.8
111.08073	5.2
117.01844	4.3
119.08573	3.7
120.08077	6.4
123.08061	3.4
123.11683	12.1
124.99992	4.8
127.03916	57.0
129.07028	3.8
133.10107	5.9
135.10684	6.4
135.11684	100.0
136.19167	3.1
137.05951	12.2
137.09532	3.5
139.07513	5.5
141.12712	5.7
145.04964	24.9
151.07530	3.6
153.12729	52.2
159.02902	13.0
161.05951	3.4
171.13792	64.6
184.07382	11.2
209.11656	7.9
210.35858	2.8
221.03020	3.2
231.05016	13.7
235.00542	4.2
256.06863	5.7
269.13809	3.7
276.00848	5.4
295.11694	9.0
303.05164	7.2
304.05286	12.8
315.13422	4.5
319.02621	16.9
341.65442	2.9
347.02225	22.0
418.15292	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23561	1.3
54.44549	1.7
55.01868	2.4
55.05507	4.1
67.05499	6.1
69.03419	2.7
70.06569	2.4
75.59937	1.5
79.05507	9.5
81.03410	2.5
81.07051	5.4
83.08630	1.8
85.02920	1.9
85.06551	1.8
87.92657	1.6
91.05464	6.8
93.03428	1.9
93.07020	4.5
95.04926	2.3
95.08605	4.4
97.06520	1.9
97.09000	1.6
97.10153	1.9
98.20808	3.8
105.07016	7.3
107.08561	3.3
109.02907	3.1
109.06522	1.6
109.10124	1.9
115.05482	1.7
117.07018	3.2
119.08545	4.1
120.08093	8.1
121.06531	2.8
121.10132	1.8
123.08040	1.8
129.07013	4.0
131.08563	3.5
132.43506	1.4
133.06477	2.6
133.10097	4.7
135.04462	2.1
141.06964	3.2
143.08542	2.1
145.06509	2.9
145.10147	4.5
147.04430	2.9
147.11630	2.0
151.03847	2.6
155.08565	2.1
157.06508	2.5
157.10115	2.7
159.08083	2.3
163.03859	2.4
165.01877	1.8
166.08685	2.6
173.06078	1.6
175.03929	2.4
185.05951	1.9
185.09576	2.7
187.03938	1.9
187.11319	2.3
189.05501	3.0
193.12265	2.1
195.11641	2.2
199.03889	2.1
213.12688	2.3
220.17871	1.6
221.04442	5.1
225.09177	2.9
227.10634	2.5
233.11694	4.3
241.12090	2.7
259.13272	3.1
269.11755	4.8
277.10641	2.3
287.12805	5.9
297.11264	3.1
315.12219	17.8
333.13312	100.0
334.13855	3.7
351.14352	18.9
372.21786	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05499	6.1
57.03454	2.0
63.49151	1.9
65.20452	1.7
67.05505	9.2
69.03425	3.8
69.07063	5.7
69.59203	4.4
69.59612	10.8
70.06594	2.4
71.04975	2.8
74.91040	2.0
79.05479	8.2
79.06402	2.1
81.03413	3.5
81.07064	9.7
83.08578	2.7
84.04528	1.8
85.02938	2.1
91.05464	10.4
92.05791	2.0
93.07037	6.0
95.01277	1.9
95.08598	7.6
97.02829	3.1
97.10188	2.2
98.97566	2.8
105.07018	7.4
107.04955	2.9
107.08588	4.7
109.06488	3.4
109.10154	2.5
117.07016	6.3
119.04898	3.2
119.08591	4.5
121.06496	2.0
121.10144	3.2
129.07011	3.0
131.04913	2.3
131.08556	5.3
133.06465	2.1
133.10127	6.2
134.99698	2.4
135.08072	3.9
141.06979	2.2
143.08452	1.7
145.06485	4.1
145.10115	3.3
147.04396	3.3
149.06018	2.3
151.07672	2.1
157.06487	2.2
157.10158	2.9
161.05984	2.1
161.09633	1.8
163.03922	2.5
167.08516	3.7
173.06081	2.2
173.09520	2.2
175.03851	3.7
175.11241	2.4
189.05530	3.6
191.03387	1.7
197.04384	1.9
201.05452	2.2
217.04968	1.9
219.01637	2.0
221.04491	5.9
223.11095	2.1
225.08965	2.1
233.11731	2.8
234.69502	2.0
241.12167	3.4
259.13333	2.5
269.11703	4.9
277.10687	3.6
279.03931	1.8
287.12708	7.0
297.11383	2.0
315.12155	14.8
325.19507	2.1
333.13333	100.0
334.13638	2.9
342.77643	1.8
351.14343	21.2
369.15262	2.3
436.32901	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	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03942	1.5
55.05503	8.4
57.03438	1.3
57.07072	2.4
67.05215	1.2
67.05503	12.3
69.07060	13.8
71.24966	1.1
79.05494	11.1
81.07053	20.4
83.08617	6.1
91.05467	13.5
93.07040	20.5
95.04980	2.8
95.08605	31.2
97.06514	1.4
97.10184	2.1
101.61481	1.1
105.07027	33.0
107.08589	40.9
109.06514	1.9
109.10149	15.3
115.05478	1.1
117.07032	5.8
119.08575	47.8
121.10136	29.7
123.08047	1.2
123.11707	11.9
128.06230	1.7
129.06996	5.1
131.08563	14.4
133.06496	1.1
133.10120	26.5
133.11093	2.2
135.11696	12.4
137.05925	1.4
137.13269	1.8
141.07011	1.8
142.07796	5.0
143.08556	8.0
144.09360	1.8
145.10109	28.8
147.04411	1.3
147.11678	21.2
149.13246	20.0
155.08521	3.5
156.09373	2.1
157.10126	13.0
158.10892	2.2
159.11681	16.3
161.13252	26.4
163.14787	11.0
169.10150	5.8
170.10985	1.3
171.11687	17.0
172.12563	1.2
173.13248	15.8
175.14822	26.0
177.16397	10.1
181.10136	2.7
183.11702	8.4
184.12370	1.6
185.05849	1.2
185.13220	7.5
187.14836	11.3
189.16377	22.6
189.18082	1.2
191.10739	1.4
191.17966	1.5
195.11717	2.9
197.13210	5.8
199.14789	14.8
201.16362	26.2
203.17987	5.6
207.11652	1.5
209.13170	2.6
211.14792	6.0
212.15598	1.3
213.16335	14.8
215.17928	10.6
217.12326	1.9
218.11833	1.4
221.15497	1.1
223.14832	2.7
225.16347	5.4
226.17311	1.2
227.17979	8.3
229.19518	3.8
229.65382	1.6
231.17438	2.0
235.14793	1.6
235.16922	1.5
237.16306	2.8
239.17937	7.0
241.19511	13.1
245.15457	2.0
247.16965	2.6
251.17908	2.4
253.19464	9.3
255.21063	2.3
259.16986	1.7
265.19495	2.2
267.21109	4.0
269.18964	1.2
269.22748	1.9
273.18546	4.5
279.20966	1.8
285.18555	3.9
287.20139	2.2
293.22787	2.0
297.18494	1.9
299.20193	5.4
313.21695	4.5
319.24194	2.7
333.25839	4.0
341.24786	1.7
347.27451	2.8
389.32019	21.5
393.27905	2.1
435.10617	2.6
435.32593	100.0
436.32706	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.13372	6.0
55.05501	22.7
55.75653	5.6
67.05499	31.7
68.83635	5.3
69.06709	5.8
69.07054	22.4
69.60190	24.6
69.60619	21.0
79.05485	16.4
81.07034	44.3
83.08608	20.2
91.05489	28.0
93.07032	24.5
95.04936	10.8
95.08597	23.4
97.10136	10.8
97.37605	5.4
105.06999	16.6
107.04940	6.0
107.08562	11.9
109.10132	15.0
119.04917	25.7
119.08540	17.3
121.10112	15.5
131.08611	11.2
133.10045	7.1
135.11687	7.4
145.10107	10.4
147.04396	100.0
147.11664	9.3
161.13304	11.2
165.05432	14.6
169.10117	7.8
217.19527	10.0
246.10059	5.6
253.92004	7.4
435.32114	9.8
448.74902	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	435.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
57.03439	2.8
58.01691	2.2
67.05503	4.8
69.03427	3.7
69.94020	10.5
70.06570	9.0
71.04987	3.9
72.08135	7.7
74.02460	13.6
74.88258	2.2
79.05471	6.6
81.03415	31.0
81.07052	5.7
83.04988	3.2
83.08611	5.5
84.08144	4.2
85.02895	5.0
85.99898	2.0
86.09683	9.0
87.04420	2.9
87.05594	27.8
88.03992	6.2
91.05456	6.7
93.07039	4.4
95.04957	9.3
95.08626	2.4
97.02862	3.7
102.51571	2.7
105.01812	2.4
105.07037	6.2
111.04437	3.2
111.08072	3.6
113.07120	4.6
114.10329	2.3
116.03399	4.2
119.08577	5.8
120.08089	5.8
121.10151	2.7
133.06085	100.0
133.10051	2.4
137.06015	2.2
149.09607	3.3
157.10130	3.1
167.10646	4.9
168.27264	2.7
189.06944	2.7
193.12215	21.5
212.09291	2.2
267.15900	12.2
273.04077	4.7
285.17038	3.7
289.05865	3.4
303.04932	27.2
345.36099	2.1
391.20355	2.9
392.53302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.63629	0.8
53.03956	1.0
55.01847	1.3
55.27017	0.7
55.64655	1.0
65.03936	9.0
67.05483	3.0
69.03416	4.1
69.35040	1.4
69.35448	6.8
71.04974	0.8
73.59263	0.8
78.04676	0.9
79.05486	10.4
81.03410	4.5
81.07038	2.9
82.04189	3.7
85.02887	6.2
91.05475	4.1
93.03391	1.4
93.07029	1.4
95.04948	5.1
95.08575	1.8
97.02898	1.0
97.06508	2.1
98.21450	1.6
103.05431	1.3
105.07008	2.5
107.04292	1.5
107.04952	17.5
109.06508	0.9
110.03638	2.9
111.04440	2.4
115.05441	6.8
117.07043	5.2
118.97688	0.7
119.08540	1.8
121.06522	1.4
122.03580	1.1
123.04424	2.8
124.05211	5.1
125.06005	4.0
127.03880	3.4
128.06180	1.8
129.06973	3.7
131.04936	1.4
131.08578	2.3
133.06479	3.6
133.10144	1.6
137.05920	1.5
138.03082	2.6
141.06992	2.1
142.02620	2.9
143.04939	1.1
144.05663	5.7
145.06493	9.4
147.04401	1.6
147.08006	1.4
152.04707	1.9
153.01755	0.8
153.05432	1.8
153.06599	0.8
153.12706	1.9
155.06004	1.2
156.05656	1.3
157.06509	2.1
159.04405	1.7
159.08057	4.3
160.05270	1.5
161.05959	5.0
166.02544	1.3
167.07028	51.7
171.06503	8.3
172.05159	12.2
173.05977	5.8
175.07512	2.5
177.09085	1.2
179.07043	1.9
181.04939	100.0
182.05292	2.3
183.06523	1.1
185.06013	1.1
187.03914	0.8
187.07552	9.1
189.05458	2.7
190.06250	2.1
191.07028	2.3
191.10690	2.4
195.06532	1.9
200.04662	5.8
201.05447	5.9
203.07008	1.7
204.07770	0.8
205.08606	5.9
206.05670	2.6
217.08566	2.1
218.05634	8.3
218.07370	0.8
219.06380	1.7
219.10031	4.6
221.08014	7.8
222.86507	0.8
231.06316	1.2
233.08060	69.4
234.08607	1.5
235.07564	1.2
235.09645	2.1
245.08058	2.9
247.07503	1.2
251.06870	1.2
251.09114	3.4
263.06818	0.9
263.09161	9.8
264.47330	0.8
277.04776	1.0
277.08493	1.0
279.10120	1.0
295.09464	1.6
307.09537	1.6
309.07425	1.6
323.08945	1.1
339.12341	1.6
344.12274	1.3
355.11835	4.0
356.12418	1.3
357.13367	1.3
367.11682	4.2
369.13370	1.0
371.14941	1.5
372.11923	1.3
373.12677	1.0
381.13397	1.4
384.11862	1.9
387.14404	7.0
392.17764	1.0
399.14267	5.4
417.15405	32.0
418.15576	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1649
Annotation	Lophodiol B
Peak:m/z	Relative Intensity
53.03940	2.2
53.31874	1.5
55.01868	3.5
55.05508	4.0
57.03425	2.6
58.99573	6.7
61.02898	2.0
64.82150	1.5
65.03940	7.8
67.05505	12.0
68.05843	2.3
69.03408	7.1
69.07049	6.9
70.17282	2.0
70.17619	7.9
71.04970	2.9
71.08620	3.9
72.08150	2.1
76.02226	32.2
76.03893	1.4
77.02544	2.7
77.74654	1.4
77.84729	1.6
79.05486	13.0
81.03393	4.3
81.07049	5.1
81.48325	1.6
82.04186	2.7
83.04964	2.6
83.06069	2.0
83.08619	2.1
84.04509	9.9
85.02891	8.9
85.04825	3.0
86.09682	4.7
88.02191	2.4
89.00595	5.3
91.05454	8.2
93.06985	2.5
95.04953	5.9
95.08598	3.2
97.02930	2.1
97.06522	10.5
97.10125	2.3
98.20821	2.0
99.08081	5.1
100.08393	2.1
101.04206	1.5
103.05461	2.7
103.07764	1.4
105.07029	3.7
107.04951	23.2
107.08617	3.4
109.06467	1.7
109.10156	6.7
110.03637	4.6
110.10460	3.7
111.04414	3.5
115.05421	3.8
116.01661	5.1
116.06167	1.8
117.06984	6.3
119.08549	3.0
120.08103	2.7
123.04423	4.6
124.05212	3.7
125.05992	5.1
126.12723	1.5
127.03911	5.9
127.11189	12.3
128.11530	5.4
129.06985	3.0
130.04968	4.4
131.08537	5.2
133.06413	2.1
135.07997	1.7
137.05972	3.4
138.03085	2.8
139.03877	4.4
141.06984	2.4
142.02577	2.0
144.05672	5.8
145.06496	9.5
147.04411	2.7
147.08038	3.2
149.05952	2.7
151.03920	2.7
151.07465	1.6
152.04666	2.5
157.06523	2.5
159.08363	31.8
160.08719	22.3
161.05952	6.3
162.02174	9.5
163.02467	3.9
163.03824	2.3
166.02576	2.5
167.07033	53.0
171.06525	6.2
172.05200	11.3
173.05991	8.6
175.07353	2.7
175.08699	4.8
179.04878	15.6
180.05037	3.0
181.04947	100.0
187.07465	8.0
189.05455	3.2
191.07091	1.8
191.10704	2.7
200.04636	6.1
201.05397	9.3
202.12622	4.6
203.08220	16.9
203.12923	4.2
204.10223	1.8
205.08627	5.9
206.05681	2.9
218.05679	9.8
219.10245	3.7
221.08093	7.3
229.06087	6.9
233.06017	2.3
233.08064	61.9
235.09628	2.2
244.08548	2.0
251.09082	3.2
255.11322	5.1
258.09955	8.8
263.09216	11.8
264.07547	2.3
273.12363	48.0
287.14203	11.2
288.14587	24.5
307.09576	2.2
323.09164	2.4
325.88171	1.8
339.12268	3.5
355.11676	5.3
360.16714	8.8
367.11801	3.5
381.13339	2.6
387.14255	10.6
399.14236	5.8
417.15350	28.7
435.17572	7.9
459.12189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.05479	0.7
68.99813	0.8
69.03406	1.5
70.06590	0.8
71.56668	1.2
72.08122	0.8
77.32340	0.7
80.30550	0.6
81.03382	0.6
81.07034	1.0
83.04948	0.9
85.02899	3.6
86.09686	2.0
91.05465	3.6
95.04969	2.3
97.02905	1.6
97.06511	0.8
99.04396	0.7
107.04929	1.9
111.34602	0.7
119.04935	9.8
121.10154	0.7
123.04444	3.4
127.03902	1.1
137.05957	1.7
145.04987	0.9
147.04411	30.9
153.01823	65.0
167.07025	1.7
171.02914	4.3
176.02173	0.6
181.04951	3.3
189.05403	1.1
194.38736	0.6
195.02927	1.8
217.08676	0.9
231.06580	5.3
233.08060	1.7
273.07559	100.0
274.07831	1.6
288.05643	0.7
417.15289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.04219	0.7
55.05497	2.0
55.72137	0.7
56.96548	1.1
57.03422	0.8
65.03935	1.0
67.05502	5.9
69.03422	2.3
69.07056	2.8
70.06593	0.8
71.04957	0.9
71.57232	1.2
79.05482	4.0
81.03392	1.7
81.07059	5.6
83.08614	1.9
85.02896	2.8
86.09708	0.8
91.05457	4.3
93.07027	4.7
95.04964	2.6
95.08598	4.0
97.02882	1.8
97.06524	2.9
104.11028	0.7
105.07012	3.6
107.04940	3.2
107.08586	3.2
109.02839	1.3
109.06512	0.9
109.10124	2.2
117.07044	1.4
119.08585	3.5
121.06440	1.4
121.10128	2.9
123.04436	2.5
125.05990	1.0
127.00124	1.0
127.03928	1.6
128.06215	0.8
131.08548	2.0
133.06421	1.2
133.10135	1.5
135.11688	2.1
137.05975	4.8
143.08632	1.1
145.06438	1.3
145.10127	1.6
147.04356	1.2
147.11678	1.6
149.13242	0.8
155.08514	0.7
157.10086	1.8
159.08008	1.0
159.11671	1.3
161.05946	1.2
167.03195	1.0
167.07048	9.3
171.06491	1.1
171.11629	0.8
172.05183	1.0
175.14865	0.9
177.05472	1.2
181.04956	13.2
186.06555	1.6
187.07428	2.9
187.14780	1.2
189.05473	1.3
198.30791	0.7
199.14828	0.8
201.05417	1.1
201.16364	0.9
209.08104	1.0
213.16319	0.9
218.05582	1.0
226.07004	1.6
227.05177	4.0
233.08020	8.6
259.09521	1.1
263.09256	1.4
265.09198	1.1
271.04242	3.9
278.22095	0.9
334.08847	1.4
349.12527	8.2
359.34982	0.8
373.12543	2.0
387.14142	1.3
391.13593	59.6
392.14005	2.0
417.15500	4.0
417.25037	2.6
435.12592	100.0
435.32452	4.6
436.12756	3.5
457.79526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01862	1.2
55.05512	6.2
56.05022	1.0
57.03434	5.5
57.07068	1.7
58.99580	13.2
61.01138	3.7
62.99059	2.3
64.74934	0.6
67.05499	16.2
69.03422	1.0
69.07052	2.9
70.81630	1.8
71.04979	0.9
71.08627	11.5
76.02224	69.2
76.04002	1.4
77.00623	1.5
79.05494	4.2
81.07062	3.2
83.04979	0.8
83.06100	3.6
83.08598	2.4
84.04498	19.5
85.01151	0.7
85.02898	1.2
85.06577	0.8
86.99026	2.0
87.02670	1.5
88.02187	2.3
89.00614	11.7
91.05472	1.3
93.07053	1.0
93.18562	0.7
95.08605	0.9
97.10159	6.0
99.02679	0.9
99.05565	0.8
99.08087	13.3
103.02170	0.8
105.07046	1.2
106.75349	0.6
107.04954	2.7
107.08577	2.9
109.10153	11.8
109.26878	0.7
112.03981	0.7
116.01665	12.6
117.06994	0.7
119.08485	0.8
126.12770	3.8
127.03920	1.2
127.11183	23.2
129.06572	5.4
130.05017	6.2
133.10014	0.8
135.04424	0.6
137.05916	0.9
141.04767	1.0
141.07266	2.0
142.03198	4.9
144.01155	7.4
145.06134	1.6
158.92410	0.7
159.08382	100.0
159.27525	0.7
160.08682	1.4
162.02199	26.5
167.07022	4.5
167.08801	1.0
170.02701	1.5
179.04845	33.4
181.04895	7.5
184.11572	6.2
187.05342	2.7
202.12582	19.7
215.04839	1.5
233.05875	6.5
233.08102	4.7
245.05847	1.8
273.12177	1.0
287.14218	63.4
288.12659	2.4
291.06561	1.1
305.15347	6.3
308.09021	1.4
312.44617	0.7
332.87396	0.7
341.15253	1.3
359.16345	17.1
387.14459	1.3
417.15469	2.8
431.48572	0.9
434.19244	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	433.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01864	6.7
55.05268	2.5
55.05513	31.2
57.03434	29.9
57.07071	2.3
61.02926	73.5
62.02407	2.3
65.03921	3.3
67.05174	3.8
67.05505	51.6
67.14434	2.0
69.03434	31.5
69.07063	25.9
70.45180	7.2
70.45527	3.7
71.01339	4.7
71.04995	12.4
72.08165	2.3
72.49055	2.0
73.02913	36.5
74.14107	2.0
75.04455	2.8
79.05133	2.8
79.05496	28.1
81.03419	23.0
81.06585	4.3
81.07056	86.3
82.07388	2.3
83.04963	6.4
83.08607	16.5
85.02901	76.4
85.06534	9.4
85.21578	2.2
87.04455	4.8
91.03953	49.9
91.05483	29.9
92.05796	2.1
93.07046	29.2
95.04954	9.5
95.08604	100.0
97.02288	3.7
97.02889	58.1
97.06529	17.7
97.10138	7.9
99.04466	14.0
99.08068	6.4
101.02378	13.7
103.03939	9.0
105.07027	35.0
107.04939	7.9
107.08598	14.9
109.02880	11.7
109.06498	4.6
109.10146	12.3
111.04430	4.1
111.08065	7.6
115.03915	5.5
117.06995	3.3
119.04914	3.3
119.08587	32.1
120.08121	2.6
121.10113	9.0
123.04474	2.8
123.08070	8.3
123.11705	3.3
125.05987	2.5
125.09607	3.5
127.03916	38.1
129.05466	8.1
131.08569	4.6
132.38934	2.4
133.06474	3.1
133.10126	22.4
135.11700	9.4
137.05972	8.1
137.09555	5.0
137.13234	8.5
139.03903	4.7
145.05000	12.0
145.10158	3.0
147.04433	5.8
147.06494	3.0
147.11681	6.4
149.13260	3.5
155.08591	3.3
157.10066	2.6
159.11693	3.1
161.06021	5.1
161.13251	48.0
163.03893	2.5
167.07077	4.5
179.14302	42.1
181.04984	19.3
183.06601	3.3
185.11722	3.8
187.14761	3.0
197.15398	4.2
221.08047	3.2
233.77417	2.2
249.07497	2.4
253.17934	15.1
271.06036	2.7
271.19049	76.3
280.07556	2.2
287.05487	2.8
330.55255	2.5
403.13699	6.6
433.17337	4.1
433.24457	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	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26140	5.1
53.03931	11.6
55.01862	16.2
55.05520	33.0
56.23680	5.5
57.03419	14.8
57.07047	6.4
61.02918	20.6
67.05500	51.7
68.99796	13.4
69.03424	79.2
69.07065	45.0
69.29504	64.2
70.06249	8.2
70.06592	96.9
71.04999	52.0
73.02921	12.7
79.05492	49.4
81.03414	44.3
81.07062	75.1
83.04954	17.2
83.08619	11.3
84.04498	8.4
85.02907	59.7
86.09648	6.1
87.00809	25.0
91.05470	74.0
93.07035	68.1
95.04952	36.4
95.08601	86.5
97.02871	38.0
97.06515	20.5
98.20743	12.0
99.04429	9.3
99.08073	10.1
103.03873	6.6
105.01841	8.9
105.07021	100.0
107.04938	14.9
107.08601	55.5
109.02868	13.6
109.06493	17.0
109.10154	54.9
111.04420	19.1
111.08051	6.3
113.02323	6.2
115.03902	19.3
115.05402	6.9
117.01868	6.0
117.06990	26.4
118.06926	34.5
118.07609	6.6
119.05014	6.4
119.08577	95.6
120.08085	9.0
121.06499	16.7
121.10138	47.0
123.04388	19.5
123.08073	12.4
123.11726	15.4
125.09628	9.3
127.00233	5.3
127.03928	28.4
127.11194	20.0
128.06235	16.4
129.01802	8.1
129.07010	32.9
130.06529	6.4
130.07706	7.9
131.08560	57.5
133.06525	8.9
133.10135	54.4
135.08012	16.3
135.11676	23.4
137.05939	26.0
137.09583	12.7
139.03951	8.6
141.04173	9.8
141.06964	15.1
142.07767	15.6
143.08575	51.1
144.09285	8.4
145.06465	21.6
145.10117	83.0
147.04308	7.0
147.08041	22.3
147.11697	35.4
149.09575	16.4
149.13237	13.3
151.03862	8.4
151.07515	9.5
153.07024	7.2
154.07866	5.9
155.08528	30.0
156.09309	18.1
157.10129	84.0
159.08026	23.5
159.09184	9.7
159.11674	85.1
160.13673	5.7
161.09669	14.2
161.13254	17.9
163.07536	9.5
163.11147	7.8
165.07024	11.0
167.08565	14.4
168.09227	6.9
169.10066	35.8
170.10847	11.4
171.07996	17.0
171.11665	61.9
173.09607	26.8
173.13249	38.6
175.11130	15.2
175.14841	9.5
177.05486	8.6
177.12680	7.0
181.04919	27.1
181.10117	21.8
182.10870	9.9
183.11691	37.3
185.09602	23.0
185.13190	29.7
187.11223	18.9
187.14847	16.1
189.03905	8.0
189.09105	18.3
189.16409	14.1
191.10645	6.4
192.09355	10.1
193.10043	11.0
195.11714	28.8
197.09576	12.4
197.13269	21.8
199.11191	21.8
199.14790	20.2
201.03957	7.2
201.12683	21.5
201.16342	46.4
203.10551	6.9
203.17984	8.8
207.11632	18.1
209.09595	7.5
209.13257	24.1
211.14841	11.1
211.56963	6.2
213.12802	14.3
213.16422	32.7
215.14343	7.6
215.17964	18.0
219.17473	7.5
221.13231	7.5
223.14760	19.4
225.12808	36.0
225.16342	21.7
227.10670	6.8
227.14330	14.9
227.17993	20.2
237.16383	8.7
239.17934	9.6
241.15819	21.1
243.13763	22.0
243.17468	20.5
251.17978	9.1
255.13692	6.7
255.17355	7.1
257.19003	9.2
259.16971	8.8
265.19464	11.0
269.18988	14.6
273.18475	7.9
283.09604	7.7
283.20532	9.7
287.20026	7.7
293.18951	29.5
311.20108	71.8
314.62378	7.6
314.66736	9.2
329.21069	69.4
347.15176	7.2
389.22903	9.9
415.21194	30.2
433.22174	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
57.03422	1.8
60.04507	1.0
61.02903	1.5
65.03938	6.9
67.05489	4.1
68.99789	1.3
69.03416	3.7
70.06599	1.5
71.04993	7.9
71.56874	1.2
71.57232	2.0
72.08163	1.3
76.40675	1.0
79.05496	9.2
81.03401	1.6
81.07040	2.8
82.00546	0.9
82.04193	2.3
84.04527	1.0
85.02899	16.2
86.09691	2.8
91.05476	2.7
95.04959	6.4
97.06538	2.3
105.07022	9.0
106.85492	1.2
107.04947	15.7
108.02106	2.6
110.03642	3.1
111.04404	3.8
115.05448	1.6
121.02866	6.2
123.00802	1.1
123.04424	4.6
124.05192	3.4
125.05990	4.1
127.03938	2.2
129.05469	1.2
133.06502	8.3
137.02318	3.3
137.05962	1.5
138.03142	2.9
140.04727	1.5
142.02626	1.8
152.04605	1.2
153.01843	2.8
153.05421	1.1
155.07042	2.3
157.06508	0.9
161.05980	13.7
165.01746	1.3
167.07021	19.8
171.06526	9.4
173.05989	1.5
181.04942	100.0
182.05287	2.2
183.06564	2.2
189.05452	2.1
193.08611	12.5
193.81808	1.0
206.05681	1.8
221.05960	2.0
221.08093	31.8
233.08041	1.5
249.07553	17.7
258.05362	1.5
271.05994	43.8
272.06473	2.4
287.05472	37.6
288.05722	1.8
299.05463	6.0
300.06100	3.3
311.05505	2.8
313.07013	1.6
325.06985	1.6
329.06537	10.4
341.10318	1.2
351.08502	1.1
353.06427	4.4
372.11981	1.6
373.12735	1.4
397.09198	12.1
403.13876	52.3
404.14362	2.8
415.10092	6.0
433.11295	3.7
433.23758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Genistin
Peak:m/z	Relative Intensity
66.81126	0.3
68.99774	0.6
69.27065	3.2
84.08163	0.5
85.02922	0.4
86.09715	0.4
91.05482	1.9
119.04936	0.6
121.02846	0.6
141.06944	0.7
145.02841	1.1
149.02336	2.0
153.01831	6.9
159.04486	0.5
165.01843	0.5
169.06429	0.9
171.19806	0.3
187.07646	0.5
189.01694	0.3
190.29739	0.4
197.06000	1.4
215.06990	5.7
218.31938	0.3
243.06468	2.9
253.04880	2.3
271.06000	100.0
272.06296	3.2
274.82672	0.3
275.97433	0.3
287.05576	0.7
309.07541	0.3
393.00421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03940	1.2
62.42746	0.4
63.53074	0.4
67.05521	0.4
69.03422	2.4
69.52174	1.1
69.52576	2.2
70.31503	0.4
71.04984	0.7
73.02915	0.4
75.06127	0.4
79.05519	0.4
81.03408	3.1
83.04972	0.3
84.04460	0.5
85.02422	0.6
85.02904	6.8
86.09703	1.6
95.04979	0.6
97.02887	4.4
99.04449	4.2
103.03934	5.1
105.07057	0.4
107.04944	0.8
109.02858	2.7
123.04408	0.4
127.03909	100.0
128.04225	1.3
133.06531	0.5
145.04970	3.1
161.05978	0.6
164.40099	0.4
167.07007	1.4
179.03392	0.4
181.04906	5.8
187.05988	0.8
193.08548	0.7
213.85545	0.4
221.08064	1.9
235.02446	0.6
237.66951	0.4
249.07567	1.2
271.05893	0.6
313.07037	0.4
329.06158	0.4
383.26620	0.4
403.13956	2.7
433.11096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Afzelin
Peak:m/z	Relative Intensity
53.03945	2.4
55.01860	2.6
57.03436	3.1
61.02928	2.7
65.03933	10.0
67.05509	4.1
68.99821	1.5
69.03421	5.8
69.07061	1.9
69.74999	8.8
70.06581	1.3
71.04988	21.9
72.08158	1.9
79.05492	9.6
81.03411	2.4
81.07061	2.1
82.04189	3.0
85.02901	29.5
86.09702	3.3
91.05487	2.2
95.04973	9.7
97.02883	3.5
97.06528	3.2
101.63485	1.2
103.05466	1.2
105.07037	7.7
107.04945	16.2
107.08559	1.3
108.02127	2.3
109.10128	1.3
110.03644	4.3
111.04436	3.6
115.05469	3.7
119.08644	1.1
119.50167	1.1
120.08138	1.4
121.02875	13.4
121.89561	1.3
123.04413	5.4
124.05204	3.4
125.05990	5.2
127.03933	3.7
129.05479	5.5
130.06548	2.3
133.06523	9.0
133.89339	1.2
137.02339	5.9
137.05963	1.8
138.03098	2.7
149.02394	2.5
153.01830	6.7
155.07097	2.7
159.09196	1.9
160.07596	1.3
161.06009	11.7
165.01790	2.4
167.07039	27.3
171.06532	10.6
181.04956	100.0
183.06497	2.4
189.05511	2.5
193.08620	15.2
206.05704	1.9
213.05527	2.6
215.07089	1.6
221.08078	38.1
231.06490	1.4
249.07608	18.3
271.06003	68.7
283.05942	2.4
287.05490	98.2
288.06088	2.4
299.05560	12.3
300.06281	2.6
300.38950	1.3
311.05478	3.0
325.06769	1.4
329.06552	12.2
351.08636	1.6
353.06323	6.0
354.66779	1.4
357.13324	1.7
379.08136	4.7
385.75879	1.5
397.09171	14.8
403.13870	58.6
415.10175	6.1
433.11282	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	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05501	0.6
56.96563	0.2
57.03432	0.6
61.02924	0.4
64.78299	0.2
65.03934	0.3
67.01849	0.6
67.05509	1.1
68.99796	0.6
69.03405	1.0
69.07050	0.7
70.06596	0.3
71.04976	0.7
71.57146	0.3
79.05473	1.0
80.87009	0.2
81.03403	0.6
81.07050	1.9
85.02908	1.2
85.07656	0.5
86.09676	0.5
89.80375	0.2
91.05467	1.2
93.07043	1.3
95.04926	0.5
95.08607	1.6
97.02875	0.4
97.06501	0.3
98.97585	0.3
105.07030	1.5
107.04935	0.4
107.08567	0.9
109.02830	0.3
109.06514	0.5
109.10145	1.2
111.04430	0.4
119.04936	2.4
119.08556	0.8
121.02875	1.0
121.10147	0.8
123.11710	0.4
127.03918	1.7
129.01866	0.2
129.07027	0.3
130.06436	0.2
131.08517	0.3
132.03156	0.2
133.10118	0.7
135.11656	0.5
137.05960	0.3
143.08577	0.3
145.02824	0.5
145.10075	0.7
147.04335	0.5
147.11694	0.5
149.13277	0.3
153.01810	4.1
157.07597	0.2
157.10150	0.3
159.11688	0.3
161.06003	0.3
163.03865	0.6
165.01750	0.3
167.07088	0.5
171.02827	0.6
173.13313	0.3
175.14775	0.3
177.12691	0.2
181.04962	1.6
184.10442	0.2
185.13197	0.3
187.14984	0.3
221.07970	0.3
225.05475	0.4
229.04883	0.4
237.03000	0.3
243.06490	0.3
249.07550	0.3
257.22604	0.4
271.05997	100.0
272.06296	2.6
280.76523	0.2
287.05539	3.1
288.05637	0.3
299.05402	0.4
329.06598	0.4
347.13828	0.2
365.14740	0.5
397.09033	0.4
397.27332	0.3
403.13553	0.6
415.22653	0.3
415.28543	0.5
433.11429	0.3
433.29608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Galanginin
Peak:m/z	Relative Intensity
52.65158	0.3
53.03935	0.4
55.01873	0.6
55.05515	0.4
56.62765	0.3
57.03436	0.5
61.06977	0.3
68.99783	0.6
69.03426	2.1
69.46414	3.2
70.06585	0.5
71.04982	1.0
72.08155	2.7
74.06069	0.3
81.03402	0.9
85.02899	2.7
86.09702	2.3
97.02886	1.5
99.04445	1.2
103.03936	1.5
103.05505	0.4
107.04951	1.0
109.02864	1.4
119.04214	0.3
119.04920	2.1
121.02875	5.9
127.03915	31.2
145.02824	0.6
145.04906	0.8
145.06468	0.5
147.04407	0.6
153.01836	5.3
163.03934	0.5
171.02875	0.9
173.05884	0.4
179.03288	0.4
181.04906	0.5
187.06007	0.4
191.03438	0.4
201.05602	0.4
201.12305	0.6
202.50240	0.3
215.03308	0.4
215.10291	0.5
219.13362	0.6
225.05504	0.5
229.05090	0.5
241.05154	0.4
252.02290	0.4
253.04976	0.4
254.96133	0.4
259.05878	0.5
263.05441	0.9
271.06006	100.0
272.06384	4.1
283.06076	1.4
286.04736	0.8
287.05533	6.3
299.05521	8.9
299.08871	0.3
300.06183	2.9
307.05740	0.4
311.05490	2.4
313.07114	1.2
325.07019	1.2
329.06570	10.8
330.06985	0.4
339.05084	0.6
341.06744	0.4
351.08627	0.8
353.06546	4.5
359.07675	0.5
379.08115	1.3
397.09213	11.8
397.14572	0.6
398.09595	0.7
415.10162	6.5
433.11267	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	432.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11914	1.2
55.01841	1.7
55.05495	5.6
56.05007	2.3
56.90180	1.3
57.03427	2.8
58.06587	3.4
67.05497	7.5
69.03420	7.6
69.07052	2.7
70.06575	7.1
71.04982	2.0
72.04513	2.4
72.08145	3.5
73.02908	1.9
74.40462	1.4
79.02592	1.3
79.05497	7.1
81.03412	4.1
81.07043	11.6
83.04957	3.0
83.08616	2.4
84.04506	2.1
84.08118	2.7
85.02917	7.7
85.06525	4.9
86.09686	14.4
87.10026	3.0
91.05478	9.7
93.07024	4.8
95.01289	1.6
95.04968	2.8
95.08596	6.8
97.02870	3.5
97.06513	1.7
97.10159	7.7
98.06042	3.5
99.04465	1.9
99.08068	5.6
100.07609	13.1
105.07021	4.1
107.08545	3.1
109.02821	2.3
109.06512	2.2
109.10170	2.0
111.04429	1.8
111.08070	1.7
112.07590	5.0
119.04954	14.4
119.08563	1.9
120.08105	2.9
123.08057	3.5
125.09633	6.9
127.03908	2.6
131.08571	5.2
133.10159	1.9
135.08014	1.4
137.05933	3.5
139.07558	1.7
145.10089	2.0
147.04395	47.0
147.05530	3.1
147.07953	1.7
149.09608	2.4
152.10727	3.7
153.01886	1.7
154.12265	2.2
167.07005	3.4
167.10652	1.8
170.11728	3.7
176.03258	2.4
177.05511	2.6
180.13879	5.2
181.04984	3.7
182.15379	17.1
185.03915	2.1
191.10696	3.0
193.08664	3.3
198.14902	20.7
200.16437	41.4
209.11694	5.4
216.15929	23.8
227.09088	2.5
227.12770	7.1
229.52702	2.3
239.08614	4.8
252.15897	3.1
270.16953	11.3
271.06033	3.4
275.80728	1.7
287.05499	16.1
414.33084	2.1
432.22256	7.3
432.34286	100.0
433.11926	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	432.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.4
56.04587	3.9
56.05001	4.7
57.03442	4.8
67.05495	16.5
69.03417	22.6
70.06588	13.1
71.04981	6.4
71.36267	7.0
74.06083	5.0
79.05475	10.3
81.03416	5.2
81.07046	19.9
83.04958	7.2
84.04473	4.1
84.08113	7.6
85.02881	20.2
85.06528	18.6
86.09707	21.1
87.10028	8.9
88.82902	4.5
90.99025	4.5
91.05479	15.7
93.07021	9.5
95.01321	6.2
95.04978	7.8
95.08607	11.1
97.02883	5.8
97.06506	8.4
97.10126	8.6
98.06051	5.7
99.08092	5.8
100.07594	16.6
105.07011	8.2
107.04903	7.0
107.08569	5.7
109.02798	5.1
117.07018	4.4
119.04938	14.4
119.08549	9.0
121.06467	4.9
124.07580	4.6
125.09583	9.3
127.03867	6.0
129.06958	5.8
131.08553	11.1
133.10051	5.4
137.05978	6.1
138.09085	6.1
139.03932	6.1
139.07614	4.6
139.54506	4.1
145.10045	4.7
147.04410	66.4
148.04709	5.5
149.09619	12.3
155.58569	4.3
167.07033	5.7
167.10565	6.6
173.09706	4.6
175.07524	4.6
179.05025	5.3
180.13847	7.6
180.39615	5.1
181.05037	7.8
182.15445	23.2
193.08647	8.3
198.14868	13.3
200.16487	45.6
206.10126	4.8
209.11748	21.1
216.15967	27.8
227.09218	5.0
227.12740	22.8
235.13274	6.0
252.15955	15.1
253.10748	4.7
255.08698	7.8
258.63055	5.0
270.17056	37.4
270.75861	4.6
271.06042	8.3
287.05576	29.5
306.29654	4.3
309.41632	4.5
327.05466	4.5
432.22464	15.1
432.34299	100.0
433.12463	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	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01861	7.3
55.05506	18.4
56.96556	3.2
57.03432	27.8
57.07061	3.5
61.02922	51.6
65.03938	3.6
67.05500	72.7
68.33346	2.8
69.03136	2.5
69.03429	30.5
69.07063	30.7
69.48608	4.9
69.49007	15.6
71.01331	4.4
71.04987	8.5
73.02926	23.5
78.30870	2.3
79.05488	40.2
80.05834	2.7
81.03416	21.7
81.07055	100.0
83.04986	13.2
83.08611	14.2
85.02903	53.1
85.06514	4.9
87.04466	5.4
91.03956	24.8
91.05441	31.0
93.07038	78.0
95.04966	11.1
95.08599	34.0
97.02886	39.8
97.06532	18.1
97.10119	3.8
99.04445	11.1
99.08086	5.0
101.02367	10.7
103.03895	3.7
105.07016	15.4
107.04981	6.1
107.08579	31.5
109.02874	12.0
109.06523	6.1
109.10112	5.9
111.08087	12.5
115.03922	5.1
117.07012	11.0
117.56679	2.4
118.06520	3.6
119.08570	11.2
121.06482	3.3
121.10138	28.6
122.24295	2.6
127.03905	24.2
129.05490	5.6
130.06531	6.1
131.08559	21.7
132.04433	3.0
133.10123	17.9
135.11682	17.6
136.42142	3.3
137.05954	4.2
137.09604	6.0
139.11134	2.6
145.04932	7.5
146.05986	11.2
147.11693	8.7
149.13251	63.0
151.11200	4.3
158.06009	5.7
158.09610	4.0
159.09108	4.1
159.11697	23.2
160.11157	6.8
167.07199	3.8
172.11156	3.6
173.13248	2.8
175.08711	3.4
177.12785	14.8
177.14032	2.8
183.06638	5.6
184.11224	9.8
184.45369	2.9
186.09187	6.5
188.07111	5.2
188.10692	4.5
195.13797	37.2
201.07538	3.1
211.12360	3.8
212.10793	3.8
212.14366	4.8
229.13338	17.0
231.17470	3.6
249.18480	17.7
269.17465	70.5
275.13870	56.7
297.16620	3.7
297.98611	2.5
311.18359	3.4
341.23077	7.5
431.23044	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	431.1335
Annotation	Ononin
Peak:m/z	Relative Intensity
55.51719	0.1
69.23523	0.1
79.05471	0.3
81.07016	0.3
85.02886	0.2
90.04727	0.2
91.05475	0.2
98.20725	0.3
105.07018	0.2
107.04942	1.6
108.02070	0.3
118.04156	2.5
119.08585	0.3
128.06221	0.1
129.06940	0.1
133.06493	0.5
137.02344	1.1
137.05927	0.1
153.07103	0.2
154.02612	1.5
156.05672	0.2
163.03877	0.4
170.07251	0.4
181.05042	0.2
181.06441	0.7
182.07288	0.4
184.05275	0.2
195.08073	0.3
197.05920	1.5
198.06741	0.8
199.07462	0.2
213.09087	5.4
225.05385	0.8
226.06215	3.3
229.56944	0.1
237.05446	4.8
241.08682	0.3
253.02457	0.3
253.04962	4.1
254.05705	6.1
269.08057	100.0
270.08450	2.2
287.05530	0.2
383.07181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40086	0.8
53.03945	7.3
55.01871	10.7
57.03442	5.9
60.04516	1.6
61.02921	7.0
67.05486	0.9
68.99783	4.0
69.03427	33.8
69.35688	4.1
69.36108	4.9
71.04984	5.5
73.02916	10.1
74.06039	1.2
76.10564	0.9
79.05502	1.2
81.03416	31.2
81.07033	1.5
83.04979	0.9
85.02903	100.0
87.00822	31.5
87.04447	2.3
88.08695	1.0
89.34292	0.9
91.03983	2.2
93.07055	1.3
95.08595	1.1
97.02888	39.7
97.03520	2.1
98.20763	1.3
99.04445	18.4
103.05467	0.9
105.01862	34.2
105.07053	1.5
108.04466	8.3
109.02876	35.7
109.21791	1.0
115.03886	1.7
117.01859	4.3
117.07019	1.0
124.05218	1.1
126.05507	5.9
127.03910	69.3
128.04297	1.5
129.01823	3.9
137.05980	4.1
145.04951	38.5
147.02835	3.5
148.59093	0.9
151.03897	2.7
159.02892	31.8
165.09143	0.9
177.03978	1.6
189.03951	1.7
189.09105	3.5
213.03928	3.3
213.09114	3.7
226.06223	1.0
230.06631	3.1
231.04996	14.5
231.10059	2.4
241.08611	1.5
248.07680	3.5
269.08081	46.2
273.11243	1.3
275.13864	2.3
291.19623	1.4
311.09030	1.3
349.80542	1.0
430.12216	2.0
431.13275	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.7
55.01865	10.1
55.05500	22.4
57.03440	34.4
59.84604	4.3
61.02923	38.4
66.88645	3.1
67.05504	34.2
69.03428	26.7
69.07055	7.8
69.28962	12.4
69.29381	30.0
70.06573	5.9
71.01342	8.9
71.04984	4.1
72.08163	4.3
73.02909	17.0
79.05489	37.4
79.30432	3.9
80.65323	3.5
81.03415	100.0
81.07059	28.7
83.04964	8.7
83.08598	14.6
85.02904	48.7
86.09691	7.8
91.03951	19.3
91.05399	35.0
93.07036	31.8
95.01315	6.4
95.04366	6.0
95.04961	83.6
95.08588	15.9
97.02884	37.2
97.06528	9.2
97.10156	7.3
99.04435	7.1
101.02369	4.7
103.03932	11.4
103.05456	5.2
105.07028	29.3
107.04971	23.5
107.08591	20.3
109.02874	17.9
109.06505	8.6
109.10093	7.4
111.04419	7.6
111.08051	8.9
117.07029	11.2
119.04942	9.4
119.08603	23.1
121.06505	13.3
121.10123	13.2
123.04426	66.3
123.08069	6.0
125.09633	6.1
127.03907	17.5
129.06984	10.7
130.06567	3.7
131.04910	6.6
131.08562	14.4
133.06464	7.1
133.10095	10.6
135.04385	4.7
135.08040	8.6
135.11684	12.2
137.02322	6.8
137.05968	16.6
140.46986	3.7
142.07631	5.6
143.08519	7.1
145.04942	6.4
145.06465	10.1
145.10095	15.9
146.06003	5.2
147.04411	15.8
147.08026	10.7
147.11682	10.8
149.06027	7.3
149.09625	7.8
153.01830	5.7
153.09077	4.1
157.10115	11.0
158.06039	5.3
159.11676	4.6
161.06015	8.3
161.09601	4.3
163.11182	38.0
171.11647	8.8
173.09659	7.0
175.07526	5.8
175.11105	8.1
180.06479	3.7
187.11003	6.4
188.10707	5.4
189.05464	11.1
189.12767	10.4
191.10675	4.7
193.12212	25.8
199.11243	4.2
205.12204	8.9
207.13786	9.7
211.13200	10.1
217.12143	10.0
223.13280	7.5
228.11034	3.6
235.13255	80.4
249.14841	7.9
259.13272	16.9
267.15851	22.8
273.14877	23.7
277.14578	6.2
289.14273	6.8
301.14279	27.9
309.16977	34.6
319.15469	10.5
359.03033	8.9
375.17987	24.1
385.09161	14.4
393.18906	12.5
411.20975	4.2
428.94623	15.0
429.11621	7.0
429.16748	72.6
429.21216	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	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32980	1.7
53.03949	9.4
55.01863	6.2
55.05508	18.5
57.03434	17.4
57.07085	2.2
59.05000	1.8
61.02930	3.3
65.03937	1.9
67.05502	19.2
69.03424	29.1
69.07070	6.6
70.08974	1.7
71.04987	6.9
71.56939	1.7
71.57332	2.1
73.02913	4.5
73.04764	2.1
74.09708	2.1
79.05492	21.6
81.03415	93.6
81.04818	2.1
81.07060	23.7
83.04978	25.1
83.08617	23.8
85.02899	24.1
91.05415	23.7
93.07042	18.1
95.04966	29.5
95.08607	8.1
97.02891	56.9
97.03522	3.8
97.06535	5.5
97.10159	4.9
99.04467	6.3
101.02377	4.0
103.03960	3.6
105.07017	16.8
107.04949	7.0
107.08601	9.9
109.02887	12.3
109.06520	4.3
109.10171	5.6
111.04436	6.1
111.08073	9.4
119.08585	17.6
121.06509	4.7
121.10159	10.5
123.08071	3.6
125.09662	4.7
127.03909	13.6
129.05519	3.0
129.07004	8.3
131.08586	11.8
133.06468	2.1
133.10123	8.0
135.11705	2.3
136.06189	4.8
142.07803	2.6
145.10117	5.4
147.07962	2.7
147.11682	14.7
149.02356	7.7
149.09615	6.8
151.07610	2.2
157.10107	12.0
158.99529	2.4
161.13295	1.9
163.11208	4.9
165.12753	3.2
167.05565	3.8
171.11649	2.5
175.11182	13.1
183.06566	2.4
191.10716	4.1
193.04999	6.8
193.12242	69.7
194.12619	2.4
211.13278	100.0
228.18614	2.0
229.14279	4.4
249.14944	7.7
265.14301	2.4
267.16077	2.8
285.16925	14.2
301.14417	2.5
313.16492	3.8
355.17404	5.6
359.02853	6.2
368.91586	2.1
393.18939	2.7
411.20074	3.3
429.11832	5.4
429.21170	45.3
429.26364	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29570	0.4
51.99944	0.3
54.85831	0.3
60.04544	0.5
69.03421	0.6
70.06595	3.9
70.73797	0.4
70.82723	1.2
72.08135	0.8
73.04769	0.4
77.75435	0.4
81.03414	0.6
84.04477	0.3
84.08154	0.5
84.66529	0.4
85.02895	0.6
86.09698	1.3
91.05809	2.1
97.02886	0.4
120.24717	0.4
129.10260	0.8
135.04367	0.4
140.09700	0.3
144.67188	0.3
167.05592	1.2
179.03340	0.4
203.10454	0.3
214.57524	0.3
217.11754	0.5
267.13351	0.4
325.07242	0.4
342.99683	0.6
359.02850	1.3
429.20966	100.0
430.21341	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	429.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
53.87447	0.7
55.01868	5.4
55.05504	1.1
57.03433	5.0
61.02918	3.4
68.99780	3.0
69.03424	23.9
71.01326	0.9
71.05003	4.0
71.14735	1.8
73.02926	4.8
77.30658	0.9
79.05487	2.9
81.03414	27.3
81.07047	5.2
83.04954	2.0
85.02899	48.5
86.09709	1.9
87.00822	15.1
87.04452	0.9
91.03955	1.1
91.05436	4.9
93.07030	8.9
95.04967	14.9
95.08597	1.5
95.25127	0.8
97.02882	14.1
97.06535	0.9
99.04453	10.3
103.03918	2.0
105.01865	14.3
105.07024	10.1
107.08588	11.2
109.02872	24.0
109.06516	2.6
117.01826	3.8
117.07016	3.4
119.08600	6.7
120.85912	1.0
121.06512	3.0
121.10131	11.1
125.06002	1.9
127.03908	40.5
129.01825	3.2
130.07758	2.4
131.18327	0.9
135.11713	6.8
143.08563	1.8
145.04962	14.0
145.10107	13.2
147.02858	3.8
147.08041	1.9
148.08861	1.2
152.03511	0.9
159.02895	14.4
161.09589	1.7
163.11169	100.0
164.11539	1.8
165.09100	1.9
165.12648	1.1
167.05708	1.0
167.07072	2.5
174.49454	0.7
175.11217	3.2
181.12227	4.9
189.03967	2.9
189.12762	0.9
193.12148	2.0
199.10983	1.0
203.10745	0.8
205.12268	6.2
213.03951	1.9
223.13252	8.6
231.04950	7.6
289.14124	1.2
325.11203	0.9
393.15436	3.1
411.16217	1.0
429.21011	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
56.96560	0.6
60.94388	0.4
69.68597	3.0
70.06572	0.6
72.08094	0.4
85.02893	0.9
86.09720	0.5
89.38315	0.4
91.05483	0.7
93.07022	0.7
93.25198	0.4
95.08607	0.6
98.97575	1.4
105.07031	0.7
119.08581	0.7
121.10144	0.9
133.10078	0.7
134.99609	0.5
135.11723	0.6
145.02921	0.5
145.10052	0.6
150.07744	7.1
151.71002	0.4
158.99654	0.6
161.13347	0.6
177.05472	0.6
185.04256	0.5
203.05261	8.2
219.61339	0.4
224.09746	0.5
229.11993	0.6
233.60570	0.6
247.13034	3.9
277.26996	0.4
283.08533	0.8
295.11566	1.2
303.14648	0.7
409.18335	25.6
410.18579	0.7
427.19379	100.0
428.19687	3.3
447.19131	1.5
448.19385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76946	2.2
53.03937	3.9
55.01870	10.9
55.05500	8.6
57.03431	3.7
58.14232	2.3
61.84325	1.9
64.56505	2.2
65.03932	2.5
67.05498	16.1
68.99767	2.3
69.03432	13.9
69.07072	18.2
69.61891	2.1
70.06561	3.5
70.81182	2.0
71.01351	5.1
71.04977	9.5
71.56494	2.2
71.56990	3.7
72.08157	2.1
73.02914	3.0
79.05486	21.0
81.03402	7.4
81.07053	17.8
83.02968	1.9
83.04978	44.6
85.02899	21.6
85.06527	4.9
86.09701	2.2
87.00820	2.5
87.05552	2.4
91.05470	23.5
93.06499	2.7
93.07043	37.1
95.01334	10.5
95.04958	22.3
95.08595	7.4
97.02891	6.0
97.06528	38.2
99.04455	14.4
101.06027	2.3
103.05453	6.9
105.07027	79.1
107.04937	8.7
107.08581	31.3
109.02892	2.4
109.06518	19.4
109.10100	2.2
112.48876	2.1
113.06035	3.5
115.05435	4.0
117.07011	19.5
119.04927	7.0
119.08552	16.7
120.08104	90.6
120.31687	2.4
121.06509	28.9
121.10152	7.0
123.04402	3.0
123.08080	5.3
125.05988	41.7
127.03933	5.3
127.07531	3.9
128.06229	6.1
129.06990	8.8
130.07785	9.4
130.16972	1.9
131.04887	3.8
131.08568	26.6
133.06451	11.1
133.10101	11.8
135.08070	4.3
135.11694	5.0
137.05998	10.8
139.03870	5.0
139.07549	2.8
141.01819	19.5
141.06975	4.0
142.07762	2.3
143.07025	22.4
143.08556	6.5
144.09348	8.2
145.02859	3.5
145.06523	11.6
145.10114	100.0
147.08026	6.9
147.11691	8.6
149.05959	4.7
149.09590	3.9
151.07553	12.2
153.06851	2.6
154.07751	5.4
155.08517	3.9
156.09390	2.8
157.06558	2.6
157.10069	3.9
158.07254	8.5
159.02960	2.4
159.08023	9.6
159.11687	46.2
161.06012	3.2
161.09599	5.9
161.13225	7.7
163.07567	4.5
163.11162	25.0
167.07050	2.5
169.10106	14.3
171.11642	4.2
171.85991	2.2
172.08827	6.1
173.08107	3.4
173.09612	65.3
175.07486	2.3
177.05496	7.2
177.12744	9.7
179.07002	2.9
179.08394	2.5
179.14197	2.4
182.07227	3.0
185.07957	2.4
187.11165	80.3
189.04114	2.4
189.09151	3.4
189.12747	4.4
191.10645	32.3
197.09602	7.8
201.09293	2.4
205.12213	61.1
209.11710	10.5
213.09122	3.3
215.07285	2.9
215.10651	68.5
223.13271	3.7
231.04982	4.2
233.11710	51.0
251.12767	21.1
313.10751	2.9
341.05533	3.1
383.15967	3.1
409.15515	3.7
427.15146	13.3
427.20123	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	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.7
57.04542	0.5
63.92525	0.4
68.13871	0.4
69.03411	0.6
70.06576	1.5
71.56390	0.5
72.08144	0.6
81.03391	0.4
84.04456	0.4
85.02886	1.2
86.09702	0.4
91.05429	0.4
94.04028	1.1
95.04959	0.5
97.02851	0.5
98.97572	0.7
105.07045	0.5
108.04350	0.5
109.02887	0.5
109.05158	0.4
116.98608	0.5
119.08597	0.5
121.10139	0.4
123.06660	0.9
128.88062	0.4
133.05078	0.5
134.99660	0.5
145.02847	1.6
150.07738	100.0
151.08054	1.0
160.75922	0.4
173.35335	0.4
177.00696	0.4
177.05478	1.6
179.03398	1.8
203.05255	1.3
203.12798	0.5
222.18376	0.5
223.06410	1.2
247.13223	0.5
265.07446	1.1
282.11899	0.5
283.08527	2.5
287.05637	0.4
287.14673	0.4
295.11469	17.9
296.11758	0.6
307.08536	1.4
322.07190	0.4
325.09589	1.2
409.18246	0.8
427.13538	1.5
427.19366	28.5
428.14868	0.9
428.19812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59027	0.8
55.01861	1.1
55.05501	7.5
56.91407	0.9
57.07066	1.4
65.34446	0.9
67.05504	4.4
69.07066	8.4
70.06582	1.1
70.14684	1.8
70.15086	2.3
71.04978	1.0
71.08629	2.7
71.20288	0.8
72.08149	4.6
79.05484	3.2
81.07043	6.4
83.08617	6.2
84.04534	0.9
84.08142	2.5
86.06065	19.5
89.17120	0.8
91.05494	2.1
91.14442	0.9
93.07040	3.6
95.04976	1.4
95.08604	4.8
96.08118	4.5
97.06523	2.2
98.06071	1.8
98.09682	10.4
98.20834	1.3
99.04479	1.1
99.08094	1.2
105.07019	2.0
107.08584	4.7
108.08118	3.4
109.10136	2.7
110.10485	1.0
111.08057	1.5
114.09161	1.8
116.10725	51.2
119.08498	0.9
121.10093	2.3
122.09683	3.9
123.11540	1.1
124.07622	1.6
126.09134	1.6
133.10100	1.4
136.11211	1.5
138.09134	1.3
143.10667	5.7
149.13251	4.1
154.15894	1.0
159.11684	1.3
167.14212	1.6
185.84840	1.1
214.17982	12.6
238.18115	0.9
239.16414	3.3
257.17487	3.7
268.22726	1.2
283.80725	1.0
292.22723	3.6
310.23694	21.2
328.24802	100.0
329.25189	2.6
417.35721	0.9
426.32080	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.71302	6.9
54.36501	6.9
55.05501	11.7
57.07064	7.4
67.05496	28.4
69.07070	26.1
70.83421	16.4
79.05479	16.4
81.07048	65.0
83.08639	12.7
91.05462	10.4
93.07034	29.5
95.08601	100.0
105.07014	22.1
107.08598	60.9
109.10152	51.6
119.07810	7.0
119.08594	36.6
121.10132	48.6
123.11714	35.2
131.08569	7.1
133.10124	30.2
135.11678	36.8
137.13232	22.5
145.10123	12.1
147.11674	9.4
149.13240	19.7
159.11719	11.7
161.13264	25.3
163.14790	14.4
165.26340	7.4
173.13345	15.6
175.14795	17.1
177.16464	13.9
177.17906	8.8
185.22339	7.8
187.14868	10.8
189.16347	20.1
191.17912	18.0
201.16336	9.0
203.17935	21.2
205.19499	18.6
215.17926	16.5
217.19418	12.5
221.18892	7.3
229.19431	9.9
231.20929	8.7
257.22598	11.4
269.22604	7.8
375.46658	8.2
407.36777	21.9
425.28397	10.5
425.37878	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.27036	2.2
55.05510	20.2
57.07061	10.0
67.05164	3.3
67.05498	30.3
67.74248	2.1
69.07065	27.9
69.65442	16.2
73.07516	2.1
79.05489	16.4
80.18644	1.8
81.03436	2.8
81.07049	72.3
83.05053	2.2
83.08604	15.4
91.05477	13.0
93.07042	36.7
95.04962	5.2
95.08601	100.0
96.12649	2.1
97.06521	2.5
97.10181	10.3
105.07016	28.0
107.04931	2.1
107.08595	55.0
109.06467	3.4
109.10153	61.3
117.07028	4.4
119.08569	33.4
121.10138	46.2
123.08006	3.1
123.11709	37.7
124.99973	2.6
125.09618	4.1
131.08546	7.6
133.10110	31.9
135.11674	33.7
137.13242	32.5
139.11183	5.7
143.08496	4.4
145.10110	13.2
147.11668	24.3
149.13246	34.6
151.14783	3.5
157.10176	3.4
159.11681	14.4
160.12292	2.4
161.13235	21.9
163.11266	2.4
163.14821	16.1
165.12700	2.7
171.11693	5.3
173.13280	10.0
175.14824	16.2
177.16391	25.4
179.14360	2.9
185.13258	3.0
187.14766	8.9
189.16388	18.5
191.18019	16.2
199.14864	3.3
201.16374	9.5
203.17970	22.1
205.19467	14.1
213.16269	3.5
215.17928	12.0
217.19470	24.4
227.17906	3.7
229.19510	12.2
231.21094	2.7
241.19542	2.6
243.21083	4.9
245.22652	5.7
247.20581	5.5
257.22662	8.7
269.22668	6.8
271.24191	5.5
273.22128	4.6
275.23694	5.8
283.24255	6.3
287.23727	3.6
328.24536	2.7
340.22891	2.4
353.32071	5.7
407.36658	19.6
425.18008	3.0
425.37961	44.4
426.37677	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03925	3.1
55.05519	20.1
56.02387	2.3
57.07067	5.7
67.05507	35.6
69.06709	4.2
69.07066	31.9
69.98206	7.0
69.98606	10.1
79.05495	14.3
81.07053	59.5
83.08632	14.1
88.45615	2.7
91.05492	14.9
93.07032	41.0
95.04990	3.7
95.08601	100.0
97.10159	9.1
98.20320	2.9
101.27861	2.6
105.07027	33.4
107.08589	70.6
109.06540	3.2
109.09467	5.3
109.10156	74.2
111.11721	6.3
117.06985	5.9
119.08571	51.9
121.10143	52.4
123.08121	3.2
123.11734	31.3
131.08569	8.9
131.92372	3.1
133.10132	42.6
135.11690	47.2
137.13261	10.3
143.08537	5.0
145.10103	16.7
147.11707	28.6
149.13268	28.1
157.10274	3.7
159.11687	22.0
161.13264	30.2
163.14830	26.2
171.11644	6.2
173.13252	8.7
175.14835	24.6
177.16368	27.2
179.14330	11.1
187.14813	15.6
189.16397	33.1
191.17903	20.8
193.15970	2.9
199.14714	3.3
201.16319	16.7
203.17955	29.7
205.19487	13.4
207.17421	11.0
215.17932	14.0
217.19498	19.6
219.21095	4.9
229.19550	8.6
231.21127	7.2
233.18832	4.0
243.21097	8.4
245.22729	8.0
257.22626	7.6
269.22638	6.5
271.24286	5.8
283.24048	3.2
285.25861	3.3
297.25735	6.8
315.26886	6.4
365.32010	7.7
407.36694	35.1
425.27472	3.4
425.33072	4.7
425.37903	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	2.1
55.05260	1.8
55.05505	17.8
57.03432	2.3
57.07064	4.8
59.04990	1.1
61.53888	1.2
63.94018	1.0
65.03947	2.0
67.05500	34.5
68.05825	1.4
69.03439	1.0
69.07066	30.7
69.26501	7.5
69.26929	3.8
69.49169	1.1
71.04991	1.1
71.08638	2.0
74.72260	0.9
75.05315	1.1
79.05482	16.0
81.07052	57.6
83.04964	1.0
83.08620	16.0
85.06530	2.3
85.10201	1.2
86.20727	0.9
91.05468	18.5
93.07038	42.5
94.07361	1.4
95.04971	3.4
95.08601	100.0
96.08958	2.1
97.06535	3.0
97.10171	8.7
99.08104	1.0
103.05506	1.4
105.07026	37.0
107.08587	76.6
109.06507	3.2
109.10149	81.3
110.10478	1.6
111.08099	1.7
111.11732	7.8
113.09644	2.0
117.07024	2.9
119.08573	52.0
120.08887	1.5
121.10140	59.4
122.10432	1.1
123.08060	4.5
123.11701	33.0
125.09599	2.3
127.11243	1.6
129.07008	2.1
131.08548	11.7
133.10123	44.6
134.10469	1.6
135.11681	49.2
137.13223	11.9
143.08595	3.7
144.09306	1.1
145.10118	17.8
147.11679	34.7
149.13261	25.1
151.11197	1.4
151.14807	2.9
153.12787	1.4
155.08556	1.5
157.10130	3.1
158.10893	2.3
159.11665	17.2
161.13246	36.7
162.13733	1.2
163.14816	29.5
163.16106	2.1
165.12718	2.8
169.10194	1.0
171.11661	4.7
172.12463	1.7
173.13258	15.7
175.14810	26.5
177.16385	28.9
179.14291	10.3
179.17886	2.8
185.13226	3.1
187.14793	14.0
189.16371	35.6
190.16747	1.4
191.14281	1.7
191.17938	17.5
193.15837	1.8
199.14862	3.4
199.83386	1.0
201.16376	14.2
202.16791	1.6
203.17949	30.4
205.15883	1.2
205.19501	10.5
207.17416	18.8
213.16417	3.3
215.17943	16.1
217.19502	21.0
219.17429	2.4
219.21072	3.4
227.17882	3.1
229.19514	11.5
231.20975	8.7
233.19099	3.4
238.99547	1.1
241.19495	3.0
243.21054	11.2
245.22643	10.4
247.20569	2.0
255.21095	4.6
257.22638	6.8
259.24124	1.6
261.22162	1.5
269.22525	5.1
271.24222	7.2
283.24121	3.5
285.25836	1.8
287.23645	3.8
297.25723	7.0
298.15634	1.1
299.27188	1.4
311.27332	1.7
315.26913	6.3
329.28381	1.6
337.28879	2.9
339.30411	1.7
365.32053	4.5
407.36713	35.1
408.37213	3.2
425.28430	1.9
425.37784	50.3
426.38116	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.13561	1.3
53.03941	2.4
53.34710	1.2
55.05510	15.6
56.35854	1.4
57.07077	9.6
62.41476	1.5
65.03928	2.1
67.05499	29.0
68.03621	1.6
69.03419	1.9
69.07066	24.9
70.01133	1.3
71.04972	1.4
79.05493	17.5
81.07055	64.3
83.08614	13.1
91.05479	13.1
93.07035	32.6
95.04959	5.2
95.08604	100.0
96.08952	2.5
97.10164	6.9
99.08075	1.7
105.07029	32.9
107.08590	56.1
109.06516	1.5
109.10155	66.3
110.10536	1.5
111.08052	1.7
111.11699	3.5
113.09663	2.3
117.07026	2.3
119.08582	35.9
121.02898	1.5
121.10142	47.4
123.08089	2.2
123.11699	35.5
125.09682	1.7
129.06964	1.9
131.08539	10.4
133.10124	30.5
135.11684	33.9
137.09586	1.8
137.13240	25.6
139.11191	4.2
144.93134	1.6
145.10094	14.0
147.11682	24.9
149.09604	1.9
149.13252	29.0
151.14839	3.7
157.10126	3.5
159.11696	14.1
161.13246	23.6
163.11156	1.8
163.14851	17.2
165.12733	3.5
165.16432	1.7
171.11716	3.0
173.13232	10.6
175.14827	12.6
177.16389	18.8
179.14297	2.2
179.17920	1.5
182.35779	1.5
185.13268	3.0
187.14804	8.4
189.16393	20.2
191.17960	21.1
199.14740	3.8
201.16319	11.2
203.17935	26.2
205.15836	2.2
205.19531	8.3
207.17393	2.5
213.16412	2.6
215.18015	11.9
217.19493	25.7
217.43184	1.8
219.17499	2.9
219.21100	3.6
224.42181	1.5
227.17737	2.3
229.19516	11.7
231.21071	5.3
233.19040	4.1
235.20537	3.4
241.19461	1.9
243.21017	4.6
245.22829	1.9
247.20558	4.4
255.21115	2.6
257.22607	7.3
259.20444	2.3
269.22620	4.6
271.24258	2.4
275.23688	1.7
283.24197	2.9
287.23642	3.9
297.25659	1.6
301.25034	1.7
313.28751	1.7
327.18991	1.5
353.32010	4.7
407.36774	20.0
425.28354	1.8
425.37982	40.3
426.38144	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03940	1.9
55.05503	14.2
57.07071	7.4
65.03950	2.0
66.60247	1.2
67.05170	2.2
67.05505	26.1
69.07063	22.8
69.64721	8.6
71.08643	1.9
79.05492	12.9
81.07053	69.0
83.08611	12.1
83.09055	1.3
91.05479	10.0
93.07040	34.4
95.04977	1.7
95.08603	100.0
96.08921	2.4
97.10168	7.0
99.08108	1.4
105.07031	26.7
107.08589	51.7
109.06500	1.7
109.10153	64.5
111.08089	2.8
111.11733	2.7
117.07015	2.9
119.08578	36.2
121.10143	46.8
123.08102	1.5
123.11709	37.0
123.12583	2.3
125.09676	2.3
130.05548	1.1
131.08578	7.8
133.10127	28.3
135.11693	31.1
136.12022	1.4
137.13254	29.2
137.14241	2.1
139.11188	2.9
143.08562	1.8
145.10127	11.5
146.10933	1.2
147.11682	23.4
147.12794	1.6
149.13255	29.2
149.14378	2.0
151.14853	2.8
153.12686	1.4
157.10153	2.3
159.11702	12.6
161.13260	25.1
163.14821	17.3
165.12852	3.3
165.16483	1.5
171.11707	3.3
173.13293	10.2
175.14835	16.1
177.12758	2.0
177.16383	22.2
179.14436	1.7
179.18030	2.6
184.52029	1.2
185.13327	3.3
187.14804	8.0
189.16393	16.7
189.17929	1.6
191.14359	1.5
191.17950	19.5
192.18283	1.4
197.80278	1.1
199.14915	2.9
201.16377	9.5
203.17949	28.8
203.19705	1.5
205.15971	1.3
205.19458	13.0
207.17514	3.7
213.16461	2.1
215.17949	12.8
217.19527	19.6
219.17537	3.4
219.21167	3.1
221.19063	2.5
227.18048	4.2
229.19485	13.7
231.21132	4.9
233.19098	3.0
235.20593	2.7
241.19559	3.0
243.21198	4.6
245.22697	5.0
247.20680	4.3
255.21121	4.7
257.22632	8.8
259.20795	1.4
259.24097	1.5
269.22742	4.8
271.24283	3.7
273.22232	2.1
275.23755	5.3
283.24335	4.1
287.23856	4.1
297.25967	1.8
301.25369	2.7
311.27618	1.3
313.29102	1.9
341.28561	1.6
353.31985	6.0
369.31293	1.3
407.36740	18.0
425.37872	45.8
426.38205	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	1.9
55.05509	12.9
57.03422	1.3
57.07072	10.3
67.05502	24.8
69.07071	24.1
71.08639	2.1
77.02708	1.6
79.05492	12.8
81.07053	63.5
83.08614	13.8
91.05453	12.0
93.07041	29.4
95.04969	3.6
95.08605	100.0
96.08961	2.1
97.10154	7.9
99.08088	1.6
105.07026	26.3
107.08593	53.9
108.62776	1.3
109.06511	2.5
109.10152	56.1
111.11719	2.3
117.06992	2.8
119.08580	31.4
121.10136	49.5
123.11711	37.1
124.12080	1.5
125.09633	2.7
131.08603	9.3
133.10126	29.4
135.11694	32.5
137.13260	32.0
139.11171	4.2
143.08548	2.4
145.10132	11.5
147.11700	22.3
148.12109	1.4
149.13255	30.8
151.11134	1.6
151.14847	3.4
157.10153	4.6
159.11691	11.2
161.13257	23.0
163.14827	17.9
164.33781	1.3
165.12769	2.8
171.11684	3.6
173.13304	11.4
175.14825	18.5
177.16399	21.2
179.17946	2.6
185.13312	3.0
187.14859	8.1
189.16388	18.2
191.17940	22.5
199.14839	2.1
201.16422	12.3
203.17960	28.6
205.15822	2.0
205.19594	13.1
213.16408	3.0
215.17961	11.2
217.19528	17.3
219.17535	2.2
219.21284	1.4
221.19206	2.1
227.17981	4.6
229.19525	13.5
229.66882	2.3
231.21149	5.9
233.19005	2.4
235.20609	2.2
243.21072	3.5
245.22714	5.4
247.20645	5.8
255.21158	3.7
257.22543	7.3
259.20584	2.5
269.22702	5.1
271.24130	1.8
273.22269	1.9
275.23807	4.3
283.24139	3.5
287.23743	5.2
297.25861	2.8
301.25253	3.1
325.28931	1.7
353.32156	4.7
367.33597	1.6
407.36719	19.2
408.37326	2.0
425.37860	50.5
426.38226	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.51316	1.9
53.03932	2.5
53.59859	1.9
55.01857	2.9
55.05508	16.5
57.03429	2.1
57.07064	7.3
65.03918	2.8
65.49105	2.0
67.05507	38.2
68.05820	3.5
68.30395	1.7
69.03429	2.9
69.07071	27.6
69.07424	3.4
71.08623	2.6
71.57381	3.2
72.20284	1.7
77.03962	1.9
79.05486	19.9
81.07059	55.7
83.08617	15.4
85.06500	2.4
89.60869	1.7
91.05470	17.9
93.07050	42.4
95.04969	5.3
95.08607	100.0
97.06543	2.2
97.10151	4.6
105.07031	34.4
107.04957	2.5
107.07869	4.3
107.08592	64.1
109.06477	3.9
109.10157	70.0
111.11710	4.9
117.07038	7.2
119.08582	46.6
120.08902	3.7
121.06486	2.7
121.10140	50.7
123.08063	5.6
123.11704	30.4
129.07007	2.9
131.08574	10.3
133.06442	2.2
133.10132	42.9
135.11699	41.7
137.09637	2.5
137.13252	20.1
141.06944	2.1
143.08556	3.5
145.06497	3.0
145.10106	15.5
146.54286	2.0
147.07962	2.2
147.11671	27.4
149.09589	2.2
149.13258	24.5
159.11707	15.8
161.09700	2.5
161.13251	28.9
162.12753	2.9
163.11139	2.4
163.14809	23.5
165.09131	2.2
165.12796	4.0
171.11681	6.5
173.13219	12.2
175.14774	18.9
177.05582	2.0
177.16400	22.6
179.14304	8.0
179.17937	2.0
183.11641	2.4
185.13217	5.0
187.14751	12.8
187.27512	2.0
189.16393	31.6
191.14169	2.4
191.17972	19.1
199.14766	4.6
201.16496	11.1
203.17966	32.1
205.15820	2.4
205.19514	10.5
207.17458	7.1
213.16245	3.8
215.17944	13.0
217.19498	17.3
219.21013	4.1
221.19023	3.3
227.17810	2.4
229.19576	9.6
231.21046	5.8
233.19164	4.4
241.34198	1.8
243.20987	4.8
245.22687	7.8
255.21095	3.1
257.22626	7.3
259.20755	2.4
269.22598	5.6
271.24231	3.3
273.22220	2.3
275.23740	2.9
283.24109	2.3
297.25800	4.2
310.17914	2.8
311.18338	5.1
333.13226	5.4
353.32068	2.5
392.39801	2.1
407.37024	20.2
425.18060	2.2
425.28311	5.0
425.33133	4.0
425.38211	39.3
437.28940	2.1
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	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.01394	1.4
53.03939	4.7
55.05501	15.4
57.03431	1.7
57.07059	3.2
57.41279	1.5
58.96753	1.5
67.05174	2.3
67.05502	34.7
68.05823	2.4
69.03413	1.7
69.07063	22.3
70.16251	8.5
71.04984	1.4
71.08648	2.4
72.67654	1.6
79.05494	23.0
80.63293	1.7
81.07054	70.5
83.04961	3.2
83.08627	9.6
83.96783	1.5
85.06519	1.7
91.04955	3.0
91.05474	22.1
92.05804	1.9
93.07040	51.3
93.07626	2.7
95.04944	4.8
95.08605	100.0
96.08958	1.7
97.06552	2.0
97.10152	6.8
105.07030	66.8
107.08588	67.7
109.06493	6.2
109.10150	53.6
110.10506	2.0
111.08082	2.7
111.11712	2.3
117.07007	6.2
119.08578	62.3
121.06487	4.8
121.10141	59.7
123.08068	4.9
123.11709	16.7
125.06029	1.7
125.09631	1.6
129.07011	3.5
129.59413	1.4
131.08572	15.5
133.10129	48.1
134.10490	2.5
135.08020	4.0
135.11693	28.6
137.09529	2.9
137.13240	4.0
139.11125	1.7
142.07692	2.0
143.08546	5.7
145.10103	19.5
147.07980	2.4
147.11684	46.4
149.13257	42.8
150.13545	1.8
151.11108	2.1
151.92763	1.6
153.09108	1.7
157.10127	7.3
159.11653	14.7
161.09575	3.3
161.13260	23.6
163.11188	6.2
163.14807	31.7
164.15244	1.8
165.12778	5.3
169.10098	2.0
171.11688	7.4
173.13248	14.5
175.11154	7.3
175.14825	36.8
177.12764	13.3
177.16385	43.5
178.16612	1.8
179.14246	3.3
183.11639	2.2
185.13217	4.5
187.11137	2.9
187.14807	21.0
189.12692	2.7
189.16377	70.1
190.16594	1.9
191.14299	4.8
191.17921	15.4
193.12209	6.3
193.15784	2.5
199.14807	4.5
201.16374	13.9
203.14326	4.6
203.17955	71.9
204.18311	2.3
205.15823	2.2
205.19482	7.7
207.17476	2.2
213.16324	7.7
215.14371	2.7
215.17911	5.3
217.19539	9.1
219.17300	1.9
221.15395	6.2
225.16339	2.6
227.17900	3.3
229.15869	3.4
229.19421	2.9
231.17468	6.4
231.20995	4.6
233.18846	1.6
235.16963	3.1
243.21059	3.2
247.16866	4.2
249.18387	8.1
261.18484	2.0
269.22629	2.8
283.24207	1.8
320.98712	1.9
379.33545	7.1
381.31491	25.3
382.31979	1.6
389.31866	2.4
397.34390	2.0
407.32443	10.0
425.17834	1.9
425.34036	71.4
426.34238	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	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01852	1.8
55.05505	12.9
57.03415	3.2
57.07062	4.1
62.14775	1.6
62.71795	1.6
62.77872	1.9
65.01371	1.6
67.05181	2.0
67.05504	33.9
68.05834	2.2
69.07063	23.5
70.23586	3.3
70.23991	5.8
71.04960	1.9
71.08618	1.9
79.05495	21.0
81.06589	3.4
81.07053	63.1
82.07364	2.0
82.34718	1.7
83.08609	11.3
85.06522	1.7
91.05473	27.4
93.07041	48.8
94.07362	2.0
95.04958	6.2
95.08604	100.0
96.08923	2.4
97.06515	3.5
97.10174	4.7
103.05450	1.9
105.07028	64.3
106.07354	2.0
107.08595	73.3
109.06489	4.8
109.10152	54.8
110.10500	2.8
111.08086	1.8
111.11702	2.3
117.06967	5.4
119.08578	64.9
120.12687	1.7
121.06506	3.7
121.10143	50.8
123.08083	3.9
123.11717	19.9
125.09672	2.8
128.72046	1.6
129.06992	3.3
131.08553	13.9
133.06476	1.7
133.10123	49.1
135.07985	4.6
135.11691	25.7
137.09589	4.3
137.13231	5.6
142.07678	1.8
143.08549	5.4
144.09355	2.0
145.10107	21.0
147.08072	2.5
147.11694	46.1
149.09607	3.9
149.13257	47.8
151.14790	3.0
157.10118	10.4
159.11685	15.9
160.12308	1.8
161.09601	3.8
161.13260	24.9
163.11157	5.4
163.14828	32.5
165.12721	4.5
169.10031	3.1
171.11668	6.0
173.13245	15.0
175.11305	8.5
175.14816	35.9
177.12802	14.0
177.16376	49.9
178.16681	3.1
179.10591	1.9
179.14162	2.3
185.13184	4.4
187.14818	19.8
189.12718	2.8
189.16377	77.3
190.16756	3.6
191.14267	2.8
191.17935	16.5
193.12193	7.3
193.15938	1.8
199.14827	4.2
201.16379	14.1
203.14346	4.6
203.17960	57.1
204.18253	2.2
205.19498	6.3
207.17397	3.5
213.16367	6.5
215.14175	2.0
215.17902	8.2
217.19495	6.9
219.17419	2.2
221.15373	5.2
221.18803	2.2
225.16273	2.0
227.17998	3.4
229.15878	3.2
229.19478	2.9
231.17473	8.5
231.21021	6.6
241.19554	3.1
243.21126	4.2
247.16946	4.5
249.18468	5.2
261.18491	2.6
333.13370	1.8
379.33566	7.3
381.31485	23.4
382.31802	2.7
389.31992	2.7
397.34698	2.7
407.32593	11.0
407.37598	2.2
425.33994	74.3
426.34326	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	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.07079	2.2
61.45253	1.3
61.49661	1.3
66.19466	1.3
67.05509	18.4
69.07067	13.9
69.33141	2.1
69.33543	13.1
72.40919	1.3
72.59498	1.4
79.05486	16.3
81.07053	37.8
83.08619	8.1
91.05482	15.0
93.07043	32.4
93.29434	1.4
95.04963	2.2
95.08605	51.8
97.06429	1.4
97.10169	5.1
103.05464	1.7
105.07028	43.0
107.08594	41.6
107.83110	1.6
109.06522	1.8
109.10154	38.1
117.07001	2.6
119.08575	55.1
121.10147	42.0
123.11706	16.3
125.09610	1.7
131.08539	7.0
133.10129	52.3
135.11690	32.1
143.08559	2.2
145.10132	8.5
147.11687	33.6
147.12810	2.7
149.13223	11.3
153.09090	5.4
157.10066	2.4
159.11725	7.6
160.12433	2.8
161.13257	18.6
163.14799	11.6
165.16333	1.9
166.72534	1.5
167.10648	2.4
171.11713	2.0
173.13298	8.8
174.13954	1.6
175.14821	26.0
177.16393	63.8
178.16714	2.2
179.10797	1.5
185.13278	1.8
187.14845	9.5
189.16376	100.0
190.16733	2.9
191.17953	13.8
199.30298	1.4
201.16266	7.7
203.17953	78.4
204.18312	2.3
205.19460	2.8
207.17418	1.7
213.16443	2.6
215.17979	8.7
217.19522	5.4
221.15422	3.4
221.19046	2.7
229.19624	2.6
231.21111	3.8
235.16946	4.7
241.19566	2.7
243.21062	11.2
247.17020	3.4
249.18488	10.3
255.21008	1.9
257.22672	2.5
261.11652	1.4
261.18451	6.0
265.70157	1.3
269.22668	2.5
274.87958	1.6
289.21576	5.3
298.29459	1.6
301.21545	1.5
309.25705	1.6
315.22943	2.5
379.33530	9.8
425.34125	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	0.9
55.01790	1.3
55.02013	0.7
55.05391	2.2
55.05679	1.4
56.04948	0.8
57.03333	1.0
57.03591	0.7
67.05360	3.6
69.03329	1.1
69.06924	2.7
69.07322	1.5
69.93302	3.8
70.50503	0.6
72.04377	2.1
72.04747	1.3
79.05340	5.4
79.05851	1.0
80.04893	1.8
80.05330	1.2
81.03304	1.0
81.06905	6.2
81.07423	1.4
82.06455	1.8
83.04858	1.7
83.05279	0.7
83.08501	1.4
85.02773	1.1
87.05448	1.6
91.05328	4.3
91.05942	1.4
93.05685	1.5
93.06879	7.6
93.07511	1.1
94.06432	1.6
95.04853	1.5
95.07211	1.0
95.08439	6.1
95.09088	1.4
96.04374	0.8
96.07984	1.0
97.02769	1.5
97.10033	1.0
99.04331	1.1
103.03858	0.8
105.06862	6.1
106.06377	2.0
106.07033	0.8
107.04827	1.0
107.07220	1.0
107.08413	5.6
108.07938	64.8
108.08760	7.0
109.02740	0.7
109.06411	0.9
109.09983	2.3
110.05937	0.8
110.09533	2.8
111.07950	0.8
117.06870	1.4
119.08398	3.6
120.07918	4.0
121.06395	1.0
121.08694	7.1
121.09959	3.1
122.09485	7.0
123.10307	1.8
124.07453	1.4
129.06866	1.3
131.08385	2.6
131.09305	0.9
133.09926	3.8
134.09467	3.0
134.10413	0.8
135.04248	0.7
135.07890	2.1
135.11499	2.5
136.11026	4.2
137.09496	1.0
141.10129	1.0
142.13147	0.7
143.08415	1.5
145.06285	1.3
145.10100	3.2
147.11578	1.7
148.07462	1.0
148.11063	1.4
149.05809	1.2
151.03696	1.1
155.08220	0.7
157.06245	0.8
157.09955	1.1
159.04303	1.3
159.07722	1.0
159.11523	1.1
160.10974	1.1
163.03766	0.9
163.10970	0.8
164.06902	1.0
165.07878	18.3
165.09039	2.3
166.08444	3.1
166.32135	0.7
169.10036	0.8
171.11554	1.2
173.05835	1.0
175.03795	0.9
179.11603	1.4
181.10022	0.9
185.09482	0.9
187.11023	0.9
189.05458	1.0
199.10893	1.1
204.13635	2.2
205.12064	0.8
215.10495	2.2
218.15192	3.0
221.04321	0.7
222.14684	3.0
227.10449	1.3
233.11638	1.6
236.16272	2.4
245.11612	1.6
246.14587	0.8
246.18477	6.5
248.20099	3.5
249.18326	2.1
250.17879	1.5
251.10210	0.9
258.18362	1.0
260.19946	2.3
264.19604	18.3
265.20114	1.3
266.21136	4.8
269.11572	1.1
274.21481	0.8
275.20056	1.3
276.19543	1.7
278.21149	19.7
280.22723	4.0
287.12769	1.1
292.22617	2.4
300.19421	1.8
302.21158	1.6
304.19052	9.4
305.13779	0.8
306.20493	3.1
306.23605	0.7
315.12131	2.4
318.20621	5.3
320.22031	2.3
322.20142	15.2
322.23798	1.6
324.21677	6.2
327.19189	1.1
333.13318	7.8
334.13739	1.1
335.23160	2.2
337.24826	15.9
363.22488	3.4
363.26389	1.8
364.21121	5.9
366.22717	1.9
381.23792	100.0
382.23938	4.3
383.25412	5.5
407.25476	2.4
408.23727	2.1
413.24277	0.7
425.17587	3.1
425.26474	80.8
426.26923	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	425.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01868	4.7
55.05519	6.2
56.05031	1.0
57.03427	2.4
62.69624	0.9
65.03934	0.9
67.05505	8.9
69.03425	1.2
69.07053	3.0
69.86279	3.1
69.86687	1.8
71.04965	1.0
71.92538	0.8
72.04507	3.5
78.84095	0.8
79.05488	10.1
80.05015	4.7
81.03419	2.2
81.07065	8.7
82.06570	1.5
83.01334	1.8
83.08616	2.2
85.02901	1.8
87.05578	2.7
91.05485	11.1
93.03403	1.9
93.05790	2.0
93.07040	8.6
94.06538	2.7
95.01325	2.3
95.04956	3.4
95.07317	0.9
95.08598	6.9
97.02893	1.4
97.06548	2.1
97.10094	1.0
98.06068	0.9
100.04001	0.9
103.05475	1.6
105.03384	0.9
105.07032	8.5
106.06529	1.9
107.04955	3.3
107.07372	1.3
107.08577	6.9
108.08112	67.3
109.02904	1.1
109.06496	1.7
109.10134	3.5
110.06048	1.0
110.09663	1.7
111.04454	0.9
115.05478	2.1
117.07005	4.1
119.04911	1.8
119.08611	5.9
120.08089	4.0
121.06491	2.0
121.08891	7.4
121.10146	4.8
122.09662	7.6
123.04421	1.9
123.08020	1.5
123.10456	2.3
123.11704	1.1
125.02329	0.9
127.03870	0.8
128.06210	1.4
129.06999	4.4
131.04907	1.4
131.08588	5.6
132.08090	1.2
133.06496	2.6
133.10143	6.4
134.09668	4.0
135.04404	2.5
135.08011	1.6
135.10428	0.9
135.11719	1.6
136.11227	4.6
137.05965	1.6
141.07010	2.3
141.10193	1.2
142.07780	1.3
143.08542	2.4
145.06438	2.6
145.10098	2.9
147.04405	1.7
147.08031	1.2
147.11676	1.6
148.11230	1.3
149.02348	1.8
149.09618	1.1
151.03882	2.6
151.06297	1.1
151.08641	1.5
154.07735	1.0
155.08582	1.8
157.06456	1.3
157.10120	2.1
159.04436	1.5
159.11639	2.3
161.05977	2.4
161.09602	1.5
162.09178	1.5
163.03896	2.3
163.11211	1.1
164.07021	1.4
165.01852	1.9
165.05644	1.4
165.07896	14.8
166.08643	2.5
169.10129	1.7
171.08034	1.1
171.11652	2.1
173.05966	2.3
173.09605	1.2
173.13235	1.3
175.03941	3.2
175.11169	1.5
177.05466	1.9
181.04941	1.2
181.10112	1.3
185.05942	1.1
185.09666	1.2
187.03923	1.3
187.11180	1.8
189.05464	2.9
195.07703	1.3
197.09573	1.7
199.11215	1.8
201.05446	1.2
203.10657	1.1
204.13852	4.2
205.12341	0.9
209.09789	0.9
213.09102	1.9
215.10713	1.3
217.04904	1.6
217.12206	1.0
218.15393	1.7
221.04494	3.7
222.14885	7.2
223.11201	1.8
231.10271	2.4
233.11707	3.0
235.06064	1.0
236.16411	3.5
239.10794	0.9
241.08621	1.3
241.12231	2.0
243.10255	1.0
246.18526	7.1
247.13608	0.9
248.20090	2.6
249.18478	2.2
250.18015	2.2
255.75671	1.0
259.09619	1.8
259.13327	1.7
260.20123	2.0
264.19577	19.9
265.20132	1.9
266.21179	4.9
269.11774	3.3
276.19412	1.4
276.49298	0.8
277.10657	3.8
278.21161	16.8
279.21970	0.9
280.22681	1.2
283.87094	0.9
287.12827	3.8
297.11139	3.6
300.19492	1.8
303.12317	1.6
304.19073	9.9
305.13849	3.4
315.12265	9.1
318.20535	4.4
320.22223	1.9
322.20160	13.1
324.21234	0.9
333.13333	32.5
334.13702	2.3
335.23203	1.2
336.21579	1.5
337.24814	13.0
351.14453	1.7
363.22638	5.4
364.21149	6.1
381.23795	100.0
382.24149	2.9
383.25464	2.4
407.17242	1.2
407.25400	3.4
408.23929	1.7
425.18158	12.6
425.26453	71.1
426.26382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	0.8
55.05511	4.1
57.03433	1.2
57.07068	1.1
59.39615	0.5
67.05499	7.6
69.03416	2.8
69.07068	4.5
69.50252	4.8
70.02941	1.1
70.06583	3.6
71.04997	0.8
71.06902	0.7
72.04493	1.1
73.02917	0.7
74.02440	1.3
79.05087	0.8
79.05482	4.7
81.03410	2.8
81.07050	10.4
81.82774	0.6
83.04970	1.4
83.08589	1.7
84.04471	0.6
84.08145	0.6
85.02900	2.5
85.06550	1.0
86.09711	2.4
87.05582	2.3
90.84967	0.6
91.05480	7.0
93.07050	7.7
95.04960	2.8
95.08601	10.5
97.02883	2.5
97.06539	0.7
97.10187	0.8
98.06055	0.6
98.21518	1.1
99.04434	0.8
103.05492	1.2
104.58956	0.5
105.07022	9.7
107.04926	0.8
107.08585	8.1
108.08087	0.8
109.02882	2.0
109.06532	0.7
109.10146	5.5
114.05505	0.7
116.03482	0.6
117.03353	0.8
117.07030	2.3
119.04891	0.9
119.08577	10.1
120.08105	4.2
121.02828	1.0
121.06557	1.3
121.10122	5.1
123.04433	0.7
123.08086	1.2
123.11703	2.9
125.09610	1.0
127.03918	2.0
127.07574	0.7
128.06235	1.4
129.06982	1.4
131.08614	3.0
133.06062	6.3
133.10110	10.4
135.08043	1.2
135.11699	3.8
137.09593	0.8
137.13255	0.7
141.07039	1.0
143.08652	1.1
145.02826	1.5
145.06355	0.8
145.10104	4.1
147.04425	1.2
147.11678	6.8
149.09656	0.7
149.13239	2.5
157.10175	1.7
159.07703	0.8
159.11719	2.6
161.09616	1.2
161.13249	2.1
163.11174	1.0
163.14810	1.7
165.05518	0.7
165.09096	2.2
169.10036	0.7
171.11725	1.0
173.13261	2.1
175.14839	2.6
177.05408	3.1
177.16389	5.5
183.11595	0.9
185.13177	0.9
187.07324	0.9
187.14821	2.0
189.16383	5.5
191.17990	1.6
197.13234	0.9
199.14691	1.0
201.16328	0.9
203.17931	6.1
205.19485	0.7
211.14833	0.8
213.03979	0.7
215.17972	1.0
217.19638	0.8
229.19482	0.8
239.17891	1.3
249.18387	0.6
257.18979	1.3
275.19983	3.2
289.05392	0.7
327.18591	0.8
333.13474	0.8
362.23499	0.7
407.25317	1.5
425.25092	100.0
425.34290	3.0
426.25516	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	425.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01860	0.8
55.05492	1.8
57.03434	0.5
65.91163	0.4
67.05240	0.3
67.05505	3.1
69.03415	1.7
69.07069	2.8
70.06566	0.4
71.04979	0.6
71.57540	0.6
72.08142	0.3
79.05496	2.9
81.03393	1.0
81.07052	5.5
83.04960	1.5
83.08614	1.1
84.08124	0.4
85.02906	1.0
85.06517	0.5
87.04461	0.5
87.05584	0.4
91.05488	2.9
93.07036	4.3
95.01274	0.4
95.04956	1.4
95.08610	7.1
96.06257	0.5
97.02865	0.6
97.06502	0.9
97.10184	0.8
99.04431	0.5
105.07023	5.6
107.08591	4.8
109.06514	1.0
109.10161	4.8
111.08097	0.4
117.03350	0.5
117.07008	1.0
119.04914	0.8
119.08574	4.4
121.06488	0.8
121.10148	4.7
123.04391	0.8
123.08047	0.5
123.11721	2.4
127.03870	0.5
131.08565	2.0
133.10120	4.4
135.08015	0.7
135.11700	2.4
137.05954	0.5
137.09540	0.6
137.13240	1.4
143.08551	1.5
145.02815	1.1
145.06468	0.7
145.10123	2.5
147.04425	0.6
147.08002	0.9
147.11708	3.2
149.05939	0.5
149.09616	0.8
149.13252	1.5
157.10106	1.5
159.08012	0.6
159.11713	1.7
161.09666	0.5
161.13260	1.7
163.11151	0.9
163.14827	1.6
165.09109	2.0
165.12827	0.5
167.06992	1.3
167.08401	0.4
171.11665	1.1
173.09579	0.4
173.13264	1.5
175.11217	0.5
175.14842	1.7
177.05486	2.6
177.16438	1.2
179.10684	0.4
182.67715	0.4
183.11818	0.5
185.13272	0.7
187.11125	0.4
187.14792	1.1
189.16403	1.2
191.17902	0.9
199.14835	1.0
201.12717	0.6
201.16371	1.0
203.14252	0.6
203.17929	1.1
205.15865	0.7
205.19421	0.8
215.14337	0.5
217.19391	0.7
219.17474	0.5
239.09006	0.6
257.19052	0.6
257.22653	0.5
285.18594	0.5
315.11966	0.4
327.17889	0.4
333.13269	1.0
336.03015	0.4
351.12073	0.9
425.25092	100.0
426.25580	3.5
440.49448	0.4
444.60870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	31.5
57.87675	1.3
70.86761	3.8
72.08160	1.6
79.05482	2.3
81.03416	1.6
81.07015	1.4
84.96036	3.8
93.07024	2.8
98.97582	23.4
102.97060	2.2
107.08625	3.0
108.08115	43.9
110.97578	5.7
116.98615	31.5
120.08105	3.4
121.08887	4.3
122.09653	7.4
128.98625	11.6
131.00172	3.1
134.09708	2.6
134.99651	29.4
135.10597	1.4
135.11679	4.4
136.07600	3.1
136.11238	3.0
143.00179	3.6
146.99672	18.6
147.04445	2.9
149.01236	3.0
150.12761	11.6
151.13564	5.9
152.14339	1.9
153.00674	4.5
158.01239	2.1
158.99644	3.6
161.01212	16.0
162.12749	1.6
162.99132	3.9
164.14357	14.5
165.00681	4.5
165.07869	12.0
169.01463	1.3
170.99669	3.2
171.68796	1.3
177.00697	8.1
177.05466	1.8
179.02296	4.9
187.02792	1.6
189.00732	4.8
194.99657	1.7
195.01682	1.7
201.00717	3.7
206.15443	2.4
208.13310	14.4
211.02718	2.2
213.00618	2.9
213.04253	3.5
219.01749	16.9
221.01294	1.9
221.16539	2.9
223.18013	4.8
232.17094	2.7
237.02780	33.9
239.02324	15.7
245.49181	1.4
249.16159	2.3
250.14423	5.9
255.03886	2.6
257.03314	21.9
260.04498	3.4
263.02228	2.3
267.17032	100.0
268.17285	2.4
279.03925	1.6
281.03336	2.9
307.04849	2.0
317.03308	4.5
325.05734	1.7
335.04700	1.5
337.65997	1.3
364.22354	3.6
365.05399	15.6
366.05548	1.9
380.90515	1.8
383.06375	14.1
385.68634	1.4
401.07541	3.1
406.08102	2.1
425.07828	21.0
425.17798	71.6
426.08035	1.6
426.18109	5.3
443.08603	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	425.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45613	2.9
53.03941	3.7
53.67345	3.0
55.05497	19.2
56.96561	7.0
57.07074	6.6
67.05499	40.7
69.07065	24.3
69.26618	19.1
69.27045	14.0
79.05486	20.9
81.06584	4.4
81.07056	71.0
83.08609	9.8
84.96050	5.2
85.06496	3.5
91.05476	26.3
93.07039	50.2
95.01253	3.4
95.04987	4.9
95.08606	100.0
97.10162	8.8
98.97576	17.1
105.07030	52.3
107.08593	67.3
109.10154	68.0
110.97613	4.0
111.08048	4.0
115.88528	3.0
116.98620	13.9
117.07001	4.6
118.09953	3.1
119.08578	63.4
121.10145	52.9
123.11690	26.4
128.98607	6.9
129.07028	4.1
130.42740	3.4
131.08528	15.9
133.10135	46.0
134.99643	5.3
135.11671	36.2
137.13248	13.8
145.10098	19.6
146.99675	6.2
147.11658	37.6
149.13258	24.9
157.10156	9.4
159.11703	19.7
161.13252	22.6
163.11108	4.2
163.14795	19.9
171.11661	5.6
173.13254	15.7
175.14832	29.0
177.00717	4.6
177.16370	33.5
179.14232	5.4
185.13213	5.6
187.14836	13.4
189.16393	39.5
191.17934	17.6
199.14738	5.9
201.16350	26.2
203.17929	37.8
205.19514	6.1
207.17386	4.2
213.00719	4.2
213.16301	3.8
215.17833	14.8
217.19550	8.7
219.01782	23.4
227.17815	5.0
229.19460	4.6
231.21001	5.4
237.02808	60.8
241.19482	6.7
243.21025	8.3
245.22612	5.4
253.19656	3.6
255.03928	6.1
257.22589	8.6
258.66129	3.2
260.04395	5.1
261.02823	11.1
269.22516	3.8
279.03860	41.7
287.24271	3.2
297.25943	4.1
334.98853	4.4
335.02844	82.6
360.87424	3.4
407.36639	14.3
425.24985	16.3
425.38324	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01861	5.6
55.05516	9.5
57.03424	4.2
57.07071	1.8
57.89264	1.6
61.21893	1.5
65.03915	1.9
67.05508	24.2
69.03429	4.9
69.07059	5.3
71.01335	1.7
71.85559	1.5
79.05488	19.9
79.43246	1.5
81.03416	11.5
81.07056	25.8
83.01347	1.9
83.04961	4.8
83.08608	3.9
84.51057	1.6
85.02908	5.0
91.05479	31.4
93.03410	3.5
93.07041	15.7
95.01330	30.5
95.04966	12.6
95.08594	7.3
97.02895	3.6
97.06557	2.0
97.10167	1.9
103.05459	2.9
105.03385	2.0
105.07034	22.2
107.04940	8.8
107.08597	7.1
107.62586	1.7
109.02863	5.9
109.06487	2.3
109.10147	6.0
113.02349	2.1
115.05473	3.0
117.07021	8.5
117.68713	2.0
119.04965	2.4
119.08600	10.6
121.02921	2.2
121.06495	4.1
121.10154	5.4
123.04433	5.6
123.08132	2.2
125.02381	2.6
127.03931	1.9
128.06258	2.1
129.07001	11.7
131.04929	4.8
131.08569	11.0
133.06496	4.8
133.08524	2.0
133.10155	9.5
135.04385	4.7
135.07967	1.7
137.05940	1.8
139.03859	2.7
141.01811	2.1
141.06985	4.6
142.07816	2.5
143.08557	5.5
144.05861	1.8
145.06496	5.1
145.10133	5.9
147.04431	4.9
147.08081	2.9
147.11702	5.8
149.02382	2.4
149.05986	2.4
149.09650	2.3
149.13159	2.2
151.03909	4.7
152.06187	1.7
153.06981	2.2
155.08565	5.3
157.06540	3.1
157.10062	7.9
159.04491	3.0
159.07988	1.9
159.11734	3.3
161.06013	4.4
161.09685	2.5
163.03917	4.5
165.01801	2.3
165.05534	7.3
167.08537	2.4
169.10104	2.8
171.08049	2.5
171.11726	4.6
173.05984	4.5
175.03937	5.5
175.07574	2.4
175.11176	3.2
177.05479	2.4
181.10246	3.6
183.08095	1.8
185.06036	2.7
185.09641	2.1
187.07494	1.8
187.11214	3.8
189.05482	3.1
191.03513	2.4
195.11746	1.9
197.04446	4.0
197.09589	2.4
199.11272	2.1
205.10223	2.4
205.12199	1.9
210.75804	1.5
213.05460	2.2
213.12759	3.2
215.10735	1.9
217.05028	3.1
221.04474	9.3
223.11226	3.5
223.39520	1.8
225.09142	2.1
227.10825	2.6
233.11769	5.2
235.05898	2.4
241.12292	4.2
243.10236	3.9
243.13914	2.2
245.11836	1.8
251.10684	3.3
259.13275	4.2
269.11722	9.5
271.13513	2.2
287.12762	12.6
297.11276	9.9
298.67072	2.0
303.12207	2.1
305.13849	7.3
315.12228	21.1
333.13306	89.4
334.13525	2.8
425.18063	100.0
426.18201	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	425.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01873	9.2
55.05512	9.1
57.03433	6.9
59.74179	1.0
62.52666	1.2
65.03938	5.9
67.05502	20.4
68.99780	1.8
69.03422	4.5
69.07072	6.2
70.17580	5.6
71.01356	2.2
71.04983	1.7
73.44360	1.0
77.03941	1.4
79.05488	22.7
80.57838	1.0
81.03423	7.3
81.07053	23.4
83.01336	2.8
83.04984	3.1
83.08624	5.5
84.08132	1.7
85.02901	2.9
86.09703	3.6
89.03902	5.5
90.37905	1.2
91.05479	30.2
92.05812	1.2
93.03407	5.1
93.07043	17.6
95.01325	8.3
95.04957	11.9
95.08606	15.7
97.02894	3.4
97.06519	2.5
97.10162	2.7
98.20782	1.2
99.00911	1.1
100.11245	1.2
103.05484	2.9
105.03418	3.1
105.07025	17.7
107.04957	9.3
107.08591	10.7
108.08099	3.2
108.08807	1.2
109.02898	5.1
109.06516	5.7
109.10174	7.9
111.04427	2.2
113.02339	1.6
115.05457	7.5
117.03368	18.7
117.07018	12.3
119.04933	14.2
119.08559	13.4
121.02863	5.3
121.06483	6.1
121.10149	7.8
123.04427	6.3
123.08046	1.7
123.11708	4.6
125.02361	3.1
125.09663	1.1
125.44402	1.1
126.05475	1.0
127.03920	3.1
128.06247	5.3
129.06999	12.1
130.07813	1.4
131.04930	7.5
131.08557	12.0
133.02846	1.9
133.06485	6.7
133.10135	8.7
134.03514	1.4
135.04405	7.8
135.08049	3.9
135.11650	5.4
137.02399	1.5
137.06007	2.7
137.09598	1.9
137.13240	2.1
139.03870	2.4
139.11166	1.1
141.07037	7.4
142.07768	2.7
143.08600	5.9
145.02835	39.7
145.06500	9.0
145.10117	10.6
147.00758	1.3
147.04398	45.5
147.08096	3.0
147.11674	5.8
149.02332	4.6
149.05972	7.5
149.09584	2.6
149.13295	4.6
151.00926	1.1
151.03851	6.5
153.06975	2.8
154.07698	1.5
155.03406	1.8
155.08539	6.0
157.06445	5.2
157.10126	7.2
159.04434	3.4
159.08035	4.0
159.11671	5.8
161.02412	3.5
161.05992	7.2
161.09598	2.0
161.13293	2.7
163.03923	5.2
163.11234	2.6
165.01837	4.2
165.05499	3.4
165.07005	3.4
165.09106	3.7
166.07790	1.3
167.03395	2.2
167.07054	1.8
167.08548	3.9
169.06364	1.9
169.10120	5.1
171.04359	2.2
171.08047	4.0
171.11700	3.2
173.02354	1.8
173.05969	5.4
173.09685	3.4
173.13266	1.2
175.03935	4.8
175.07593	2.0
175.11179	3.8
175.14740	1.8
177.05458	70.6
177.12752	1.4
179.03445	3.0
181.10162	3.4
183.08037	2.7
183.11754	2.4
184.08832	1.6
185.05942	2.5
185.09624	6.1
185.13245	2.1
187.03877	2.9
187.07436	1.9
187.11180	3.4
189.05467	9.8
189.12749	3.1
189.16455	2.3
191.03392	2.6
191.07069	1.3
191.17975	2.1
193.04910	1.4
193.10059	1.3
195.11650	3.5
197.04391	2.1
197.09541	2.9
197.13213	1.5
199.07501	2.4
199.11139	4.0
201.05428	1.5
201.09109	1.7
201.12839	1.7
203.10674	3.1
203.18016	2.2
205.05003	4.0
205.12239	2.2
207.02864	1.6
207.06482	2.2
211.11086	1.9
213.05481	2.5
213.09036	5.5
213.12712	3.7
215.10710	4.8
217.04968	4.4
217.12187	2.1
219.06505	1.8
221.04442	12.5
222.13165	1.2
223.11205	3.3
225.09113	2.4
225.12747	1.3
227.10722	3.6
231.10194	6.0
233.11658	7.4
235.06026	4.1
236.10393	1.3
238.10904	1.5
239.10712	1.6
241.08659	1.9
241.12132	6.9
243.10155	4.2
243.13828	2.1
245.11700	2.7
249.11516	1.5
249.15977	20.5
251.10677	5.0
253.12346	1.8
255.10245	3.1
257.11560	2.0
259.09787	3.6
259.13132	5.1
261.11206	1.5
269.11710	13.3
271.13376	2.2
277.10727	12.7
277.14001	1.6
279.10269	3.4
279.17047	16.3
285.11136	1.6
287.12827	15.6
289.11111	1.6
289.14786	1.1
291.12277	1.7
297.11182	7.9
303.12277	2.6
305.13901	8.6
315.12247	26.5
316.12524	1.2
333.13290	100.0
334.13660	2.3
351.14474	5.2
381.23730	5.8
407.16873	3.3
425.18027	35.8
425.25293	9.8
425.38651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
55.05499	0.3
56.96547	1.0
57.87491	0.3
59.93113	0.3
69.03413	0.3
70.97373	0.3
70.97696	0.4
72.08126	0.3
93.07063	0.4
95.04948	0.4
95.08633	0.3
98.97588	0.5
107.08641	0.4
108.08111	2.0
116.98599	0.5
120.08089	0.3
135.11755	0.4
136.11227	0.3
143.77313	0.3
150.12782	1.0
164.14346	1.1
165.07901	0.8
177.05447	0.6
203.05215	0.6
204.12750	0.3
208.13350	0.8
221.16467	0.3
223.18068	0.5
237.02768	0.4
250.14474	0.4
263.12646	0.7
267.17065	5.2
269.03497	0.4
287.04462	0.6
355.13794	0.3
365.05402	0.5
425.17792	100.0
426.18213	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
62.04905	0.8
71.56695	0.9
79.53593	0.8
82.99838	1.0
83.62976	0.8
97.02893	1.2
98.97578	1.8
101.00864	8.7
102.01108	0.8
109.02863	1.1
113.00826	1.1
116.98582	1.3
119.01915	38.7
120.02007	1.1
127.02422	1.4
128.36732	0.8
130.60139	0.8
131.00227	1.4
131.01897	10.0
137.02953	5.7
138.05490	1.2
142.03474	1.2
143.01895	25.4
144.02072	0.8
145.03467	10.6
147.01358	1.6
149.01207	1.5
149.02975	3.3
155.01886	10.4
157.03470	8.0
158.99602	1.0
161.02951	57.6
162.03104	2.7
163.04536	2.8
167.01932	5.2
169.03450	2.2
171.05003	2.6
173.02963	25.1
174.03030	1.0
175.04518	2.9
179.01895	2.8
179.04045	1.9
184.04532	1.8
185.02948	44.2
186.03127	1.0
187.04533	3.4
191.02409	1.2
191.03999	5.5
192.46466	0.8
197.02956	15.8
201.51761	0.8
203.03998	20.2
208.04510	0.9
209.02917	1.1
215.03998	9.4
221.02985	0.8
221.05106	2.1
227.04031	7.8
233.05164	1.3
237.02893	1.4
245.05069	100.0
246.05272	3.6
257.04962	5.8
263.06134	24.1
264.06320	1.5
269.05457	1.9
275.06091	10.6
286.07880	1.5
293.07257	3.8
305.07150	7.8
310.89307	0.9
323.02725	0.9
335.08353	1.0
365.09268	2.3
414.70078	0.9
425.10602	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	425.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
56.96559	36.7
65.14896	1.1
70.46877	4.9
72.04499	2.7
72.08128	1.7
79.05479	2.0
81.07033	1.4
84.96007	10.2
93.07033	4.3
95.09853	1.6
97.02890	2.0
98.97575	34.6
99.05600	1.9
102.97054	2.7
107.08609	1.4
108.08110	37.7
110.97568	6.4
116.98615	41.0
119.04994	1.5
120.08083	3.0
120.98058	2.0
121.08855	4.2
122.09647	5.6
128.98592	15.5
131.00148	3.5
134.09636	1.6
134.99649	33.0
135.11693	3.4
136.06221	1.5
136.07588	2.0
136.11195	1.7
140.00180	1.6
141.10185	1.5
143.00143	4.1
146.99638	25.1
147.04448	2.6
149.01241	5.6
150.12761	11.4
151.13574	3.2
152.14316	3.2
152.98596	1.4
153.00722	5.0
158.99590	7.0
161.01210	21.3
162.12788	1.8
162.99184	3.4
164.14352	12.8
165.00677	4.5
165.07843	12.7
166.08611	2.0
170.01277	1.5
170.99585	6.1
174.99164	1.5
177.00655	10.3
177.05409	1.5
179.02267	8.8
189.00714	5.5
194.99734	1.7
195.01706	1.8
201.00693	5.2
206.15440	2.3
207.01697	2.3
208.13322	17.6
211.02751	2.8
213.00702	1.8
213.04350	7.5
219.01752	22.6
219.03682	2.1
221.01128	2.3
221.16426	3.4
223.18074	5.2
231.05539	1.4
237.02792	44.1
239.02238	23.9
242.03371	2.1
245.04956	1.3
249.15797	1.5
250.14308	4.4
255.03882	3.6
256.93478	1.2
257.03299	32.3
257.05936	2.4
260.04391	3.0
261.02884	1.5
262.03976	1.5
263.02316	2.1
267.17029	83.8
280.04855	1.4
281.03317	5.2
287.04477	1.9
299.04370	3.1
307.04892	1.7
317.03293	5.0
323.04471	2.5
325.05966	2.7
335.04443	2.5
347.04449	3.1
364.22049	2.3
365.05356	18.3
383.06430	17.8
401.07495	3.7
406.08188	2.4
425.07904	22.2
425.17755	100.0
426.08011	1.7
426.18277	1.8
443.08603	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.2
70.33084	7.0
75.36499	1.4
89.37716	1.7
98.97585	3.6
99.27531	1.8
99.77179	1.9
101.00900	5.3
116.98602	3.1
119.01131	3.1
119.01924	31.2
127.34476	1.5
128.98544	2.6
131.01889	10.1
134.99701	2.5
137.02945	5.2
143.01884	19.0
145.03474	10.1
146.99629	1.8
149.02921	2.1
155.01849	8.9
157.03455	8.0
161.02959	68.7
163.04544	3.7
167.01878	2.8
169.03479	2.6
171.04935	3.2
173.02969	23.0
175.04510	3.7
184.04575	2.6
185.02966	34.4
187.04520	5.8
188.84962	1.9
191.03973	5.4
197.03024	12.2
203.03978	21.1
209.03035	1.9
215.04019	9.1
221.05022	4.4
227.04027	6.9
245.05078	100.0
257.05252	4.2
263.06116	26.2
269.05447	2.1
275.06165	8.6
286.07761	2.0
293.07394	2.9
305.07242	8.4
335.07864	1.8
365.09174	3.4
425.06534	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	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68961	1.0
55.01869	1.7
55.05515	13.1
56.05022	1.7
56.96547	1.4
57.03411	1.1
57.07067	3.1
59.83391	1.0
66.27716	1.3
67.05508	25.3
68.05838	3.2
69.07064	19.1
70.06591	5.0
70.22659	1.2
71.04977	1.9
71.08609	2.2
71.57395	2.0
72.08136	1.6
73.02928	1.3
78.37170	1.1
79.05489	12.4
79.11594	1.1
80.05012	1.0
80.05841	1.2
81.07055	24.2
82.06590	3.7
82.07375	2.8
83.04971	2.7
83.08625	8.7
84.04490	1.3
84.08132	3.8
85.06555	2.3
86.06064	16.8
88.35438	1.0
91.05479	7.9
92.05836	1.8
93.07048	18.1
95.04951	3.5
95.08607	17.4
96.08128	11.0
96.08930	3.3
97.02871	1.4
97.06522	2.1
97.10176	2.6
98.06074	3.7
98.09680	4.2
98.97581	1.1
99.04462	3.6
101.99068	1.0
103.05489	2.0
105.07034	8.5
107.04943	1.4
107.08598	15.9
108.08132	2.7
108.08927	2.5
109.06553	3.0
109.10152	15.6
110.09683	5.6
110.10504	3.3
111.08089	2.7
112.07586	1.6
116.10747	5.7
116.98598	1.7
117.07001	2.8
118.07458	1.3
119.08572	6.3
120.08905	2.9
121.10153	8.3
122.10460	2.4
123.08046	2.5
123.11717	4.3
124.07584	4.9
124.11221	3.7
129.06992	1.6
131.08571	5.1
132.08899	1.1
133.10146	6.4
134.09586	1.4
135.08057	1.5
135.11670	5.3
136.11134	1.2
136.12091	1.7
136.86893	1.1
138.09157	2.9
142.03253	1.7
142.07722	1.5
142.08646	13.2
145.09068	1.2
145.10133	5.2
146.38358	1.1
147.11703	3.3
148.12077	1.8
149.13251	8.2
150.13626	2.0
151.11197	3.1
152.10686	2.2
154.12283	3.4
157.10146	1.6
159.11710	4.9
160.12076	2.2
161.13258	2.5
163.03879	6.6
163.14888	1.4
165.09184	1.2
166.08595	1.8
166.15915	22.5
169.12274	5.8
171.11613	2.1
173.11794	2.4
173.13254	2.2
174.12012	1.3
175.14862	3.2
177.05460	1.4
189.16354	3.2
190.16702	1.3
192.18243	1.6
194.15361	2.3
201.16405	2.0
202.16718	2.5
204.18327	2.3
207.06560	7.1
210.18558	2.5
212.16460	79.3
213.16724	2.7
215.17999	1.4
216.18378	1.5
237.02998	1.7
238.18015	50.1
239.18414	1.6
244.22731	3.6
256.19080	100.0
257.17490	4.7
257.19733	2.3
279.04004	1.6
310.17914	3.3
310.23669	2.1
324.45905	1.5
333.13388	2.7
335.02866	3.1
363.25253	4.4
383.36322	1.4
406.29349	7.4
424.30945	62.0
424.36401	7.9
425.17902	2.2
425.30902	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	424.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73640	1.5
55.01889	2.1
55.05520	8.6
57.03439	2.0
57.07072	2.4
59.87350	1.6
64.15600	1.7
66.81052	1.6
67.05503	11.2
69.03434	1.8
69.07063	18.3
70.06581	1.8
70.18196	6.1
71.08627	2.2
72.08129	2.5
74.62838	1.4
79.05483	11.0
81.07061	16.7
82.06584	3.6
83.04966	1.6
83.08622	8.3
84.08165	3.2
85.78505	1.8
86.06065	16.9
86.09667	2.0
91.05505	7.6
93.07056	13.6
94.07356	1.6
95.04982	2.6
95.08602	12.6
96.08124	11.6
97.06520	3.1
97.10156	1.8
98.05405	1.4
98.06069	4.9
98.09689	2.7
99.04449	4.3
105.07030	7.7
107.08590	11.0
108.08128	4.0
109.06538	4.1
109.10184	6.0
110.09677	6.2
110.10438	2.5
114.09174	1.5
116.10746	6.4
117.07024	2.2
119.08598	4.7
121.10150	6.3
122.09705	2.6
123.11753	2.3
124.07618	5.3
124.11259	4.7
131.08585	3.5
133.10129	1.9
135.11748	1.7
142.08615	12.6
145.10100	2.1
147.11700	2.2
149.13277	4.7
151.11188	4.6
154.12148	2.3
159.11647	2.5
166.08606	2.6
166.15933	22.8
169.12283	6.3
171.11758	1.7
194.15428	2.8
206.11839	1.6
210.18527	2.4
212.16461	79.2
213.16809	2.2
214.74234	1.5
238.18007	50.1
256.19083	100.0
257.17517	4.8
310.23892	2.4
315.33487	2.3
333.13254	1.9
363.25366	4.6
365.25562	1.7
406.29462	8.6
424.30661	62.5
424.36157	2.4
425.25702	2.8
425.31052	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	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01854	1.3
55.05505	16.6
57.03429	2.1
57.07067	6.5
57.20246	1.1
57.85412	1.1
59.05014	1.3
62.13577	0.9
65.03932	3.4
67.05497	59.0
68.05827	1.5
69.03432	1.3
69.07062	22.1
70.06583	2.5
70.64262	2.2
70.64632	2.3
71.04985	2.3
71.08611	1.6
79.05486	23.2
81.07048	61.6
81.24155	1.0
82.07384	1.2
83.04942	1.5
83.08607	13.2
85.06536	3.4
88.07628	2.3
91.05465	22.3
93.07032	46.1
95.04951	3.5
95.08596	100.0
95.20438	0.8
96.08923	1.7
97.06522	2.5
97.10165	6.1
99.08057	1.0
102.09152	2.5
103.05427	1.5
105.04516	1.1
105.07019	35.3
107.08582	57.1
108.08910	1.0
109.06497	3.1
109.10144	70.3
110.10502	2.0
111.08064	15.1
111.11703	3.0
117.07016	6.2
119.07696	2.4
119.08566	42.3
121.10130	38.1
121.11018	1.2
122.10420	1.1
123.08087	2.5
123.11701	19.5
129.06989	3.5
130.07768	1.8
131.08542	15.4
133.10121	45.2
135.11678	28.0
137.09604	1.9
137.13214	7.2
139.11160	3.8
142.07852	1.0
143.08559	7.9
144.09271	1.7
145.10097	24.1
147.10506	1.7
147.11671	30.2
149.02335	10.5
149.09625	1.1
149.13260	22.2
150.02618	6.2
151.11160	2.7
151.14783	1.9
153.89009	0.9
155.10641	1.2
156.09274	1.7
157.10127	9.5
158.10872	2.9
159.11670	25.7
161.13252	23.5
163.11148	1.2
163.14799	17.6
165.12717	2.8
167.14310	1.5
169.10081	2.6
171.11642	8.6
172.12450	1.4
173.11728	6.8
173.13258	18.1
175.14806	17.5
177.12787	2.8
177.16376	20.0
179.14262	2.5
179.17950	1.6
183.11717	2.3
185.13268	6.3
186.13922	1.1
187.14789	14.7
189.16367	16.9
191.14297	2.1
191.17938	10.8
193.04941	9.5
193.15886	2.6
194.05286	7.3
195.13751	1.8
195.17438	1.9
197.13263	2.9
199.14806	9.1
201.16365	31.3
203.17941	27.5
205.04190	1.0
205.15894	3.8
205.19501	3.3
207.17476	2.6
211.14796	2.3
213.16393	8.4
215.17931	10.8
217.15918	3.9
217.19501	13.2
219.17421	4.8
224.40916	1.0
225.16362	1.2
227.17912	8.2
229.19521	9.3
231.17531	1.5
231.21106	2.1
233.18997	3.0
239.17998	1.2
241.19440	6.9
243.21025	6.2
245.18851	1.4
245.22748	1.3
247.20647	2.5
253.19685	1.5
255.21095	8.8
256.26294	3.5
257.22675	6.2
257.26645	7.0
259.20593	2.1
261.22095	2.1
267.21021	2.1
269.22583	8.7
271.20630	1.8
271.24249	2.4
273.22034	1.2
281.22592	2.3
283.24152	5.6
285.22174	1.9
295.24326	3.4
297.25528	1.8
299.23755	1.5
300.69321	1.3
309.25665	1.5
313.25146	2.9
331.26117	1.1
365.32004	6.4
405.35144	7.6
422.46396	1.1
423.23090	2.1
423.28824	16.8
423.36124	67.8
424.23584	1.6
424.29065	1.1
424.36459	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50868	1.9
53.03951	2.0
55.05505	21.1
56.96544	2.8
57.03423	4.2
57.07083	9.9
59.04993	2.8
63.18481	2.3
63.93882	2.1
65.03944	2.1
66.22073	2.1
67.05501	47.5
69.03428	4.4
69.07062	35.5
69.37582	20.2
71.04997	2.9
77.75903	1.8
79.05495	27.3
80.05860	2.2
81.03427	3.7
81.07053	78.7
82.07391	2.9
83.04969	2.7
83.08624	15.2
85.02882	2.3
85.06566	3.7
88.04011	2.9
91.05470	30.3
93.07037	61.0
93.07633	3.2
94.07383	2.3
95.04974	5.5
95.08605	100.0
96.08945	2.1
97.02895	2.9
97.06555	3.3
97.10183	7.5
99.08120	2.4
105.07026	62.2
107.04985	2.2
107.08589	79.3
108.78375	1.9
109.06522	5.7
109.10150	74.5
111.08084	4.3
111.11797	2.1
117.07052	6.4
119.04973	2.2
119.08579	75.3
121.06512	3.6
121.10133	63.5
123.08086	4.9
123.11701	29.8
124.12094	2.2
125.09669	4.9
128.06232	2.1
129.07054	4.3
130.07739	3.4
131.08562	25.6
133.10123	54.4
133.11086	3.8
134.37871	1.9
135.08057	2.8
135.11682	47.0
137.09616	3.3
137.13231	19.8
139.11176	4.7
143.08585	8.8
144.09369	4.4
145.10112	32.2
147.11676	53.9
147.12766	3.6
149.09637	4.3
149.13246	38.3
151.11227	3.7
151.14864	4.9
157.10118	12.6
158.10909	3.6
159.11697	41.2
161.06059	2.4
161.13245	32.2
163.11179	3.6
163.14828	20.8
169.10136	5.1
171.11700	9.5
173.11876	3.1
173.13228	25.3
173.14452	2.2
174.14029	2.9
175.14821	33.9
175.16260	2.3
177.12848	4.4
177.16373	24.2
179.14351	4.4
181.10291	2.5
183.11729	6.1
185.13231	11.1
187.14801	21.8
189.16362	51.0
190.16737	3.3
191.14339	3.1
191.17921	30.4
193.15854	2.9
197.13321	5.8
199.14903	9.0
201.12839	1.9
201.16376	26.6
203.17955	37.1
204.18442	2.9
205.15857	4.1
205.19615	4.7
206.11842	4.3
211.14925	4.7
213.16458	8.8
215.17958	27.8
217.15858	2.0
217.19493	23.6
219.17525	9.2
220.13362	3.9
225.16470	3.6
226.50148	2.1
227.17982	7.7
229.19449	11.2
231.17448	3.4
231.21161	4.4
233.18958	12.5
239.17975	3.2
241.19617	7.4
243.21175	9.6
245.19052	6.0
245.22725	3.7
247.20688	5.4
253.19572	3.4
255.21249	7.9
257.22443	2.2
259.20663	4.0
267.21103	4.3
269.22723	8.5
271.20654	4.7
271.24222	3.3
273.22171	4.3
281.22720	4.7
285.22226	4.8
287.23846	3.1
293.22592	2.2
295.24225	4.2
299.23834	2.9
311.27399	3.9
340.68665	2.1
364.24829	20.0
377.32349	3.2
405.25577	2.1
405.35211	22.5
423.23285	11.8
423.36386	98.7
424.24197	2.5
424.36664	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05508	19.0
57.03432	3.5
57.07070	7.1
59.04996	3.2
61.02908	1.4
63.53263	1.3
65.03928	2.4
67.05502	59.0
68.05833	2.2
69.03402	1.3
69.07067	25.6
70.63120	2.8
70.63493	2.9
71.04994	2.8
71.08623	1.5
79.05488	20.3
81.03404	2.0
81.07053	75.7
82.07394	2.7
83.04995	6.3
83.08619	13.6
83.68446	1.4
85.06537	5.6
91.05473	27.1
93.07041	51.7
95.04977	6.6
95.08603	100.0
96.08907	2.5
97.06520	6.1
97.10161	8.7
97.17635	1.4
99.08101	1.4
100.11247	2.4
102.46026	1.4
105.07024	43.0
107.04946	1.6
107.08591	60.2
108.08879	1.5
109.06525	5.8
109.10152	69.6
110.10522	2.1
111.04411	1.7
111.08088	5.7
111.11716	2.7
113.09660	1.9
117.07018	9.3
119.08576	54.9
121.06493	1.6
121.10143	45.3
123.08054	2.5
123.11700	22.3
125.09641	2.4
127.03901	2.0
128.06241	2.2
129.07054	2.4
131.08569	20.4
133.09119	2.2
133.10123	43.4
133.58804	1.3
135.08043	2.0
135.11678	36.4
136.12022	1.3
137.09683	1.9
137.13243	17.5
139.11180	2.1
142.07809	1.6
143.08559	5.8
144.09372	2.1
145.10118	28.5
147.11682	23.7
149.09653	2.0
149.13254	31.2
149.14386	2.5
155.08617	2.1
156.09232	1.8
157.10144	9.9
158.10905	1.9
159.11685	39.4
161.13252	23.7
163.14825	13.6
165.12712	2.1
169.10150	1.7
171.11676	8.2
173.11777	6.2
173.13283	20.9
175.14824	23.7
177.12784	4.7
177.16412	10.7
179.14391	2.0
183.11720	3.2
185.13336	6.5
187.14793	13.9
189.16376	20.0
191.14346	4.6
191.17952	36.8
192.18207	1.6
193.15953	3.3
195.13625	1.7
197.13260	2.3
199.14865	5.8
201.16386	16.5
203.14377	1.9
203.17957	20.5
205.15883	7.4
205.19513	14.4
213.16394	5.3
215.17944	34.0
215.19907	2.1
217.15849	3.1
217.19473	9.7
219.17484	6.6
225.16408	1.8
227.17982	4.1
229.19576	7.2
231.17450	3.3
231.21143	4.8
233.19023	20.3
239.18153	1.6
241.19589	3.5
243.21150	4.3
245.18983	2.9
245.22647	2.4
253.19516	3.3
255.21179	3.8
257.22659	4.7
267.21085	2.5
269.22693	5.3
271.24167	1.8
285.22308	2.4
310.24359	1.8
325.16031	1.6
367.29770	1.9
395.36996	2.4
405.35150	8.7
423.23563	9.1
423.27451	6.9
423.36282	58.5
424.28357	1.6
424.36627	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56156	1.0
53.03943	2.5
55.01869	1.4
55.05259	1.6
55.05505	18.5
56.96548	1.1
57.03421	3.4
57.07061	5.2
58.37090	0.9
59.05002	1.7
65.03922	2.0
67.05499	51.2
67.57484	0.9
69.03409	1.1
69.07066	27.5
71.04976	1.1
71.08613	1.6
71.58141	1.4
75.14349	0.8
77.03933	1.2
79.05489	28.0
79.05966	1.4
81.03405	1.0
81.07051	68.5
82.07397	1.6
83.04980	2.8
83.08616	13.9
85.06560	1.8
91.05470	29.7
93.07038	51.2
95.04962	5.8
95.08600	100.0
96.08936	2.1
97.06531	4.2
97.10159	6.4
99.08105	2.6
103.05496	1.2
105.07022	57.0
106.07331	1.1
107.04949	2.0
107.08585	64.9
108.08933	1.7
109.06539	4.6
109.10147	76.7
110.10513	1.0
111.08056	6.6
111.11726	3.9
115.05443	2.4
116.98602	1.0
117.06996	8.8
119.01937	1.0
119.08575	58.5
121.06474	2.0
121.10133	51.2
122.10477	1.3
123.08065	3.5
123.11702	26.5
125.09634	2.9
127.11189	0.9
129.06995	4.7
131.08559	21.0
133.10121	52.0
134.10535	1.0
135.08060	1.8
135.11681	34.1
137.09619	2.5
137.13245	7.4
139.11182	8.0
140.03371	1.1
142.07735	2.5
143.08554	10.4
144.09373	2.3
145.10117	29.5
147.11673	36.4
149.09637	2.0
149.13255	25.1
150.13641	1.3
151.11200	2.1
151.14784	1.9
155.08598	3.1
156.09305	1.5
157.10126	12.3
158.10893	1.7
159.11690	30.8
159.13016	1.6
160.12289	1.0
161.09547	1.3
161.13243	29.4
162.13580	1.1
163.11156	2.5
163.14807	18.3
165.09117	1.9
165.12766	3.4
165.16472	1.1
169.10123	4.2
170.10834	1.4
171.11690	11.3
172.12502	1.2
173.03000	2.9
173.11816	2.2
173.13228	19.9
174.14029	1.1
175.14821	20.7
177.12813	2.2
177.16377	17.7
179.14310	1.9
183.11688	3.5
185.13225	9.0
187.14793	19.3
189.12752	1.5
189.16364	23.4
191.14333	2.5
191.17950	9.3
193.15936	1.6
195.13725	1.0
195.17357	1.0
197.13268	4.0
199.14742	9.5
200.15520	1.2
201.16373	24.6
203.14294	1.6
203.17946	38.6
204.18303	1.7
205.15836	5.9
205.19562	3.8
207.17482	3.5
211.14812	2.7
213.16423	8.2
214.16949	1.5
215.17928	14.9
216.18443	1.1
217.15919	3.4
217.19490	18.9
217.21588	1.4
219.17421	6.2
223.14874	0.9
225.16415	2.6
227.17915	9.6
228.18671	1.5
229.19470	9.3
231.17430	2.9
231.21098	3.3
233.05153	1.2
233.15352	1.4
233.19061	3.1
235.01683	0.9
239.17937	2.2
241.19504	6.6
243.21013	6.7
245.19051	3.2
246.19124	1.1
247.20679	1.5
253.19604	2.7
255.21085	5.9
257.18964	1.9
257.22562	6.4
259.20618	3.3
267.21088	4.0
269.22549	5.7
271.20657	2.1
271.24347	3.4
273.22012	1.3
281.22690	2.0
283.24048	4.5
285.22192	3.7
285.25500	1.7
287.23788	1.8
289.04169	1.6
295.20813	2.1
295.24261	3.5
297.25769	1.8
299.23828	1.4
303.23138	2.9
309.25821	2.1
311.27139	2.7
313.21646	5.1
313.25290	3.5
314.21841	1.4
323.27457	1.3
327.26685	1.3
331.22720	7.6
349.05505	1.1
349.23706	1.5
351.30670	1.9
365.31903	6.5
367.30035	1.2
381.31674	1.2
405.26041	3.1
405.35236	10.8
423.28000	8.4
423.36246	74.3
424.28003	2.0
424.36606	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05507	12.1
57.00323	1.2
57.07059	1.3
63.17841	1.3
65.03925	1.9
67.05506	18.8
69.07057	16.9
69.88939	1.3
70.55544	1.2
79.05071	1.5
79.05491	18.2
80.01626	1.3
81.07053	39.8
83.04999	1.6
83.08615	4.6
89.70945	1.3
91.05473	18.1
93.06469	2.5
93.07038	33.2
95.04955	3.9
95.08601	56.8
96.08852	1.6
97.06533	1.3
97.10165	2.8
105.07023	56.3
105.38179	1.5
107.07861	2.7
107.08591	45.5
109.06493	1.8
109.10159	23.1
111.08044	2.2
111.95805	1.3
117.07026	9.5
119.08575	62.5
121.10133	32.3
123.11661	6.6
128.06223	1.4
129.07013	4.8
131.08553	29.8
133.10126	40.3
135.11711	13.8
137.13232	3.1
143.08528	9.2
145.10123	48.6
147.08060	1.8
147.11676	27.6
149.05930	1.8
149.13249	23.1
153.09100	1.7
155.08527	2.1
156.09291	1.8
157.10158	10.9
158.10898	3.3
159.11670	26.8
161.09642	2.2
161.13232	22.1
163.14798	22.6
165.09106	1.6
171.11678	7.3
172.12476	1.7
173.11754	2.5
173.13246	34.0
175.14832	48.0
177.16373	19.2
183.11696	4.2
185.13234	8.6
187.14799	44.5
187.16460	2.6
189.16370	48.7
191.14265	2.0
191.17924	4.1
193.12080	2.2
197.13210	2.7
199.14850	11.2
201.16376	51.4
203.17924	22.8
205.19528	2.2
207.17427	1.6
211.14833	3.4
213.16417	6.7
215.14381	1.7
215.17929	8.8
217.15923	1.6
219.13875	3.0
219.17361	1.5
221.13400	1.8
221.15340	7.3
225.16354	5.2
227.17900	8.8
229.19508	7.7
231.17413	1.7
233.15392	2.2
235.16911	4.6
239.17873	5.0
241.19518	6.1
243.21092	1.9
247.16920	5.9
249.18698	1.9
253.19537	2.8
255.20815	1.9
259.16873	2.4
261.18460	2.2
267.21072	5.3
273.18472	1.9
279.21072	1.8
281.22467	2.2
282.23325	2.8
285.18387	2.4
299.20337	1.6
307.24246	2.6
327.23151	3.4
341.24774	2.4
353.24603	2.2
377.31949	15.2
380.27008	3.4
405.31458	3.6
423.23376	4.8
423.32535	100.0
424.32993	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54434	1.4
55.05502	12.5
57.07069	2.3
59.52835	1.3
62.36398	1.3
67.05501	21.7
69.07063	20.6
69.48531	14.0
69.48859	2.1
73.06570	1.7
76.40731	1.4
79.05485	19.0
81.07047	44.5
83.08602	6.7
86.09657	2.0
89.54358	1.3
90.12808	1.3
91.05468	27.1
93.06472	2.8
93.07037	41.2
95.04932	3.0
95.08597	64.7
96.03185	1.4
97.10154	5.7
105.07026	64.4
107.08586	47.8
109.06499	1.6
109.10154	28.1
117.07014	9.8
119.08575	70.0
120.08125	2.1
121.10139	37.2
123.08076	2.1
123.11732	7.5
129.06996	4.7
130.07831	1.8
131.08557	31.9
133.10124	42.7
135.11694	13.1
143.08513	10.9
144.09354	3.2
145.10107	49.2
147.08028	1.8
147.11690	33.5
148.11980	1.7
149.05907	2.1
149.13257	26.9
155.08534	3.2
156.09331	1.9
157.10135	14.5
158.90578	1.6
159.11670	29.6
161.09683	2.5
161.13252	22.6
163.14815	22.0
169.10123	2.9
171.11661	7.5
173.13255	36.8
174.13838	1.9
175.11337	1.7
175.14807	49.3
175.16281	2.9
177.08963	1.9
177.16406	16.7
183.11717	4.0
185.13261	7.1
187.14799	45.9
189.12698	2.2
189.16376	55.1
191.17928	3.1
193.15825	1.8
195.11606	1.8
197.13226	5.1
199.14856	8.1
201.12675	2.2
201.16377	50.6
202.16774	2.1
203.17932	22.0
211.14766	3.6
213.16324	10.0
214.17151	1.8
215.17917	9.5
219.13785	3.6
221.15370	4.1
225.16411	4.5
227.17960	9.1
229.19536	8.8
233.15416	2.0
235.16838	3.3
239.17924	3.0
241.19441	7.8
243.21065	2.1
245.15428	2.6
247.16969	5.9
247.24306	1.6
253.19579	3.5
255.21257	2.1
259.16910	1.9
261.18564	4.0
267.21063	6.3
269.22787	3.0
275.20279	1.7
281.22620	2.1
282.23459	3.2
285.18503	1.9
295.24255	2.2
299.20038	2.0
321.25690	2.1
353.24588	2.0
377.32083	13.3
380.26801	1.7
405.31708	5.0
423.32550	100.0
424.32773	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	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03692	1.3
53.03938	2.8
53.69231	1.2
55.05264	1.6
55.05507	16.1
57.03424	4.8
57.07060	3.2
59.04985	3.0
65.03940	2.5
67.05499	100.0
69.07059	20.3
69.77221	3.3
69.77649	4.9
71.04972	3.1
73.02923	1.4
79.05488	26.2
80.28031	1.2
81.03407	1.9
81.07048	59.6
82.07384	1.4
83.04975	3.7
83.08614	13.0
85.06532	3.7
91.05467	24.8
93.06474	2.8
93.07034	42.0
95.04955	5.2
95.08597	46.2
97.06512	5.7
97.10168	3.6
105.07019	34.5
107.07874	2.3
107.08586	41.0
108.08875	1.5
109.06497	3.8
109.10146	61.4
111.08073	5.8
115.29526	1.4
117.07011	8.2
119.08565	36.0
121.06499	2.6
121.10123	22.7
123.08064	3.6
123.11707	5.3
124.38264	1.4
125.06082	1.5
125.09604	1.7
129.06995	3.1
131.08534	20.6
133.10115	23.8
135.08060	2.6
135.11679	12.4
137.09552	3.2
137.13260	2.7
139.11124	1.3
143.08594	7.9
145.10097	26.6
147.11670	15.4
149.09634	1.5
149.13249	23.1
155.10722	2.9
157.10121	5.2
158.10866	2.3
159.11670	18.4
161.13239	11.8
163.14850	9.9
169.10110	2.2
171.11696	6.5
173.11714	16.3
173.13254	17.4
175.14798	19.0
177.12762	2.4
177.16331	7.0
179.14290	4.1
183.11673	1.8
184.12325	1.4
185.13240	3.6
187.14801	22.6
189.16362	29.9
191.17935	3.1
193.15837	1.7
195.13823	6.2
199.14864	5.0
201.16389	22.7
203.17894	9.9
205.15825	1.6
210.13785	1.5
213.16370	4.3
215.17903	7.3
217.19490	2.1
219.13885	1.4
221.15253	1.6
225.16263	2.1
227.17924	4.1
229.19507	5.5
231.20882	1.6
234.57985	1.3
235.16930	2.2
239.17880	1.5
241.19508	2.4
247.16907	2.5
255.21109	2.4
261.18576	1.5
267.21011	1.8
281.22580	2.5
282.23376	1.9
285.22076	1.6
313.21634	2.9
316.47638	1.2
331.22534	3.1
353.24680	1.4
377.31921	7.4
423.27222	20.7
423.32452	43.3
424.32648	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03692	1.3
53.03938	2.8
53.69231	1.2
55.05264	1.6
55.05507	16.1
57.03424	4.8
57.07060	3.2
59.04985	3.0
65.03940	2.5
67.05499	100.0
69.07059	20.3
69.77221	3.3
69.77649	4.9
71.04972	3.1
73.02923	1.4
79.05488	26.2
80.28031	1.2
81.03407	1.9
81.07048	59.6
82.07384	1.4
83.04975	3.7
83.08614	13.0
85.06532	3.7
91.05467	24.8
93.06474	2.8
93.07034	42.0
95.04955	5.2
95.08597	46.2
97.06512	5.7
97.10168	3.6
105.07019	34.5
107.07874	2.3
107.08586	41.0
108.08875	1.5
109.06497	3.8
109.10146	61.4
111.08073	5.8
115.29526	1.4
117.07011	8.2
119.08565	36.0
121.06499	2.6
121.10123	22.7
123.08064	3.6
123.11707	5.3
124.38264	1.4
125.06082	1.5
125.09604	1.7
129.06995	3.1
131.08534	20.6
133.10115	23.8
135.08060	2.6
135.11679	12.4
137.09552	3.2
137.13260	2.7
139.11124	1.3
143.08594	7.9
145.10097	26.6
147.11670	15.4
149.09634	1.5
149.13249	23.1
155.10722	2.9
157.10121	5.2
158.10866	2.3
159.11670	18.4
161.13239	11.8
163.14850	9.9
169.10110	2.2
171.11696	6.5
173.11714	16.3
173.13254	17.4
175.14798	19.0
177.12762	2.4
177.16331	7.0
179.14290	4.1
183.11673	1.8
184.12325	1.4
185.13240	3.6
187.14801	22.6
189.16362	29.9
191.17935	3.1
193.15837	1.7
195.13823	6.2
199.14864	5.0
201.16389	22.7
203.17894	9.9
205.15825	1.6
210.13785	1.5
213.16370	4.3
215.17903	7.3
217.19490	2.1
219.13885	1.4
221.15253	1.6
225.16263	2.1
227.17924	4.1
229.19507	5.5
231.20882	1.6
234.57985	1.3
235.16930	2.2
239.17880	1.5
241.19508	2.4
247.16907	2.5
255.21109	2.4
261.18576	1.5
267.21011	1.8
281.22580	2.5
282.23376	1.9
285.22076	1.6
313.21634	2.9
316.47638	1.2
331.22534	3.1
353.24680	1.4
377.31921	7.4
423.27222	20.7
423.32452	43.3
424.32648	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
57.03438	2.5
57.07077	6.4
66.77609	1.1
67.05170	1.5
67.05499	14.6
69.07073	8.7
71.08616	5.3
71.32470	1.2
71.57595	1.8
71.57978	1.1
79.05496	6.7
81.03407	1.4
81.07047	17.2
83.04968	1.4
83.08604	3.0
83.91703	1.1
85.06517	4.6
87.38290	1.3
91.05458	6.5
93.07035	6.9
95.04978	2.3
95.08599	13.8
97.06533	2.4
97.10178	1.7
99.08070	2.5
105.07018	8.2
107.08595	9.2
109.06511	24.8
109.10155	5.4
113.00041	2.9
117.06961	1.7
119.08575	6.7
121.10113	3.6
122.07294	2.3
123.08060	39.3
123.11688	2.1
131.08572	2.1
133.10135	4.5
135.08060	8.8
135.11700	1.5
137.09627	2.1
138.69431	1.2
145.10132	3.5
147.11665	4.2
149.09612	1.3
149.13199	2.0
159.11676	2.5
165.12831	1.8
167.14352	1.6
173.13284	1.5
175.14731	1.4
179.14301	95.6
180.14511	1.7
189.70357	1.2
193.15862	3.1
205.15802	2.5
229.19490	1.5
275.20102	2.4
303.26727	2.6
331.26309	43.4
332.26440	1.2
349.27353	12.9
367.25012	1.5
405.30286	1.8
423.31055	100.0
424.31522	6.4
425.91827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70836	0.6
53.03924	2.2
55.01845	2.2
55.05267	0.7
55.05508	7.4
57.03438	3.0
57.07074	7.1
65.03917	0.7
67.05504	23.9
68.05837	0.6
69.03406	1.4
69.07066	9.8
69.95314	0.7
69.95591	3.3
71.04988	3.3
71.08633	5.9
78.45909	0.6
79.05074	1.0
79.05494	14.0
81.03400	1.4
81.06591	1.4
81.07057	23.7
83.04980	1.6
83.08620	4.4
85.06542	3.3
91.05482	8.1
93.06479	1.0
93.07044	14.8
95.04929	1.5
95.08605	18.6
97.02888	7.2
97.06515	2.7
97.10154	1.6
99.04465	3.1
99.08090	2.2
105.07037	7.0
107.04940	0.7
107.08595	10.6
109.02882	1.6
109.05810	1.5
109.06522	26.2
109.10158	12.4
111.08053	2.2
117.06990	2.2
119.08582	9.6
121.06545	0.9
121.10131	8.0
122.07270	2.0
123.08065	41.9
123.11672	2.6
127.03894	1.5
129.06989	0.8
131.08583	3.3
133.10132	6.8
135.08044	8.4
135.11679	5.6
137.09584	2.0
137.13239	0.8
139.11119	0.9
143.08615	0.8
145.04932	0.8
145.10066	3.1
147.11656	3.9
149.09619	2.4
149.13252	2.3
159.11710	4.0
161.09613	1.4
161.13199	1.9
163.14818	1.0
165.12747	1.9
167.14326	1.7
173.11765	2.3
173.13258	2.2
175.14893	1.7
177.12729	2.4
177.16483	0.8
179.14310	100.0
180.14648	2.9
183.21561	0.6
187.14908	0.9
191.14264	1.8
193.15874	3.3
201.16402	0.8
205.15834	3.2
233.19104	1.9
261.22137	2.1
263.20157	0.8
275.19962	2.5
289.25372	1.1
293.21225	1.0
303.26865	2.0
313.25186	1.0
331.26306	43.5
332.26657	1.7
349.27411	9.7
367.24918	1.0
373.89099	0.6
405.30170	1.8
423.31097	99.5
424.31628	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86689	1.0
53.03944	1.4
55.01866	3.9
55.05507	12.0
57.03437	3.8
57.07072	4.1
59.04994	2.4
59.10257	1.1
65.03936	2.7
67.05505	60.4
69.03444	5.6
69.07069	16.7
69.07413	1.6
71.04996	4.5
71.08622	2.9
71.24895	1.1
71.39189	0.9
73.02911	1.2
75.04494	1.7
75.45662	1.1
79.05491	21.1
81.03417	6.0
81.07057	42.1
81.07526	2.5
83.04993	3.4
83.08615	7.7
85.02880	2.1
85.06550	4.2
91.05475	15.0
93.07044	27.1
95.04975	3.7
95.08609	24.1
97.02873	5.0
97.06529	4.2
97.10188	1.8
98.21603	2.4
98.30759	1.0
99.04436	5.7
99.08105	2.9
99.14031	1.0
105.07031	11.9
107.08581	16.6
107.09197	1.4
109.02902	3.0
109.06515	18.0
109.10161	34.4
111.08109	4.5
117.07023	3.9
119.08578	12.6
121.06559	1.7
121.10141	12.8
121.10929	1.4
122.07301	1.2
123.08063	47.1
123.08956	2.4
123.11752	4.3
124.08372	1.1
125.09678	1.1
127.03915	8.7
129.07030	1.4
129.54526	1.2
131.08554	6.2
133.10138	10.7
135.08041	11.6
135.08804	1.0
135.11685	8.4
137.09651	4.7
137.13295	1.3
143.08595	1.4
144.09258	1.0
145.10165	4.4
147.11685	5.2
149.09691	4.0
149.13229	10.8
151.07607	1.1
151.11127	1.8
151.19127	1.2
155.10646	1.4
157.10164	1.9
159.11674	8.3
161.09561	1.5
161.13345	2.6
163.11261	1.4
163.14905	2.0
165.12744	1.3
167.14372	1.6
171.11792	1.6
173.11758	5.8
173.13287	3.0
175.14886	1.7
177.12811	4.8
179.14310	50.3
183.11673	1.2
187.14835	1.8
191.14413	1.7
193.15906	2.1
195.13762	2.4
197.13219	1.3
205.15952	2.4
224.81236	1.1
225.16576	1.2
233.19200	1.4
247.20706	1.6
259.20642	1.3
261.22305	2.6
263.20108	1.4
275.20181	4.7
303.26920	5.4
331.22366	2.3
331.26343	48.6
332.26794	3.1
349.27573	2.6
367.24829	2.2
405.30389	1.2
423.31296	100.0
424.31729	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	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01852	2.6
55.05263	1.8
55.05507	20.6
57.03437	6.2
57.07060	2.8
59.04991	3.0
65.03927	2.9
66.80571	1.4
67.05499	100.0
69.03423	15.6
69.07063	16.0
71.04973	5.4
71.08611	1.9
71.58425	1.5
73.02919	1.3
79.05487	35.5
81.03418	22.3
81.07047	63.0
83.04968	4.8
83.08604	13.4
85.02894	11.1
85.06528	4.5
86.09685	2.1
91.05473	29.6
93.07032	44.8
95.04974	7.7
95.08591	28.1
97.02882	6.5
97.06505	5.8
99.04446	3.3
99.08064	2.0
105.07022	18.9
107.04957	2.4
107.08577	25.3
107.21050	1.4
109.02869	4.0
109.06492	4.6
109.10147	46.8
111.04455	1.5
111.08080	4.9
111.11660	1.1
115.05458	1.3
117.06983	9.6
119.08565	18.3
121.06464	3.3
121.10133	16.3
123.08030	4.0
123.11678	5.1
125.09631	1.5
127.03876	2.0
129.05461	2.7
129.06982	4.8
131.04871	1.2
131.08536	13.2
133.06491	2.1
133.10117	16.8
135.08012	2.9
135.11667	14.9
137.09595	2.4
137.13281	1.8
143.08521	5.2
145.06480	1.5
145.10114	7.6
147.11642	10.7
149.13225	14.8
151.11174	1.6
155.08490	1.6
155.10623	2.3
157.10092	4.2
159.11632	10.6
161.13254	4.4
163.11134	1.6
163.14815	2.8
169.10060	1.6
171.11713	2.7
173.09544	1.9
173.11717	12.2
173.13252	3.8
175.07520	1.2
175.11063	2.0
175.14803	2.0
177.12769	3.6
177.16438	1.4
179.14348	2.3
181.10023	1.7
185.09621	1.5
185.13287	2.3
187.14761	2.6
195.13777	4.4
199.14777	2.4
201.16425	1.5
216.89502	1.3
223.77676	1.3
241.12209	1.2
243.21049	2.8
245.08708	1.3
259.20407	3.9
261.22110	9.3
271.20386	1.5
275.20105	1.4
277.21619	1.7
279.22891	1.2
283.16919	4.2
285.21927	1.7
289.21588	1.5
291.23337	1.5
303.23108	2.7
319.22742	2.1
331.26202	2.2
339.23163	1.5
341.24466	1.5
351.23117	1.6
357.24048	1.8
369.24234	4.9
387.25281	2.5
405.26266	4.8
423.27176	30.3
423.36145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49185	1.7
53.03942	5.5
55.01864	6.2
55.05508	24.5
57.03432	6.9
57.07062	4.7
59.05007	2.6
59.60815	1.8
65.03936	4.0
67.05503	100.0
69.03426	17.7
69.07070	22.0
69.65336	6.5
69.65744	7.2
71.04974	6.1
71.46165	1.8
73.02928	3.0
73.74637	1.9
79.05489	43.1
81.03418	19.6
81.07056	60.8
83.04969	7.6
83.08626	13.8
85.02900	7.5
85.06555	3.3
85.73495	2.0
91.05474	28.0
93.07046	51.3
93.07641	4.0
95.04961	15.3
95.08608	46.4
97.02892	6.9
97.06560	9.5
97.10173	3.6
99.04454	3.6
99.08089	2.9
103.03974	2.5
105.07030	29.9
107.04958	5.7
107.08595	28.8
108.44408	2.1
109.02893	3.9
109.06524	6.9
109.10152	51.8
111.04431	5.5
111.08094	6.1
117.07011	12.9
119.08575	25.4
121.06485	6.1
121.10126	23.5
123.04398	3.4
123.08058	8.3
123.11691	6.5
125.09650	2.7
127.03844	2.3
129.07007	8.4
131.08557	21.6
133.06418	3.5
133.10130	18.5
135.08044	6.6
135.11691	17.8
137.09596	3.0
143.08580	5.8
145.06523	2.6
145.10130	11.7
147.08057	2.6
147.11662	11.6
149.09662	3.9
149.13258	12.6
155.08562	3.4
157.06468	2.5
157.10141	6.6
159.08017	2.4
159.11687	14.4
161.09630	3.6
161.13245	10.1
169.10159	3.3
171.11674	4.8
173.09538	1.9
173.11732	7.0
173.13271	9.5
175.11128	2.4
175.14841	2.9
177.12769	2.7
179.14366	2.6
183.11742	2.4
185.13234	5.4
187.11215	2.8
187.14819	3.5
189.12738	3.1
189.16389	2.9
195.13800	5.0
197.13306	2.6
199.11148	2.2
199.14833	3.1
201.12698	2.3
205.12213	2.5
207.13777	3.7
209.13248	2.7
211.14835	3.7
225.16289	2.3
241.19487	2.7
259.20575	8.3
261.22208	7.4
271.20578	2.3
277.21448	2.7
285.22266	2.2
289.21729	2.6
291.23291	2.8
301.21445	4.4
303.23270	12.7
315.23022	2.5
327.23273	2.4
331.26471	3.9
341.24521	3.7
350.98297	2.7
369.24246	12.8
387.25336	11.7
390.84012	2.7
405.26239	14.1
423.27112	23.9
423.31448	3.3
423.36505	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
52.28615	1.1
53.03941	6.9
55.01868	9.1
55.05505	35.8
57.03429	9.7
57.07058	5.5
59.04987	1.7
65.03929	6.5
67.05499	100.0
69.03423	34.1
69.06719	2.1
69.07062	26.3
69.17259	1.6
71.01322	3.6
71.04977	9.8
71.58869	1.8
72.82777	1.1
73.02893	4.6
79.05486	69.1
81.02922	1.7
81.03411	37.1
81.07047	92.8
83.04967	11.7
83.08609	14.2
84.08123	3.1
85.02899	15.0
85.06517	3.7
87.04462	2.9
91.05475	58.1
93.07034	85.5
95.04958	20.3
95.08599	66.9
97.02896	10.0
97.06516	11.6
97.10164	5.9
99.04443	8.5
99.08076	3.4
103.03928	4.0
103.05423	2.8
105.04520	1.3
105.07018	49.9
107.04936	4.4
107.07864	2.5
107.08581	45.4
109.02850	3.7
109.06497	8.0
109.10141	41.5
111.04445	6.9
111.08051	3.9
115.03922	2.0
115.05426	3.4
115.36178	1.4
117.05541	1.2
117.07007	23.5
117.07821	1.4
119.08565	43.7
121.06470	5.6
121.10127	37.3
123.04401	3.2
123.08047	7.9
123.11699	9.5
125.05995	1.5
125.09615	4.0
127.03901	5.5
127.07516	1.3
128.06197	5.4
129.05461	5.5
129.06989	14.5
130.07727	1.8
131.08554	35.5
131.82428	1.4
133.06461	4.7
133.10120	33.8
135.08044	5.7
135.11678	27.7
137.09596	5.2
137.13249	2.8
139.07538	1.5
139.11169	4.2
141.06969	4.5
142.07756	3.6
143.08565	15.7
144.09184	1.6
144.10237	2.2
145.06456	3.6
145.10094	26.5
147.08023	4.9
147.11676	25.9
149.09639	4.7
149.13249	18.7
151.07571	2.0
151.11176	3.1
153.07048	2.0
153.09090	1.9
155.08549	6.0
157.06424	2.0
157.10104	11.5
159.08040	3.9
159.11684	23.8
161.09573	3.8
161.13237	17.7
163.11111	4.4
163.14816	6.4
165.07031	1.7
165.09122	2.3
165.12802	2.3
167.02127	1.3
167.08568	2.3
167.10500	1.2
169.10107	3.9
171.08054	2.3
171.11687	11.2
173.09584	3.1
173.11844	2.3
173.13261	16.0
175.11145	3.9
175.14838	7.3
177.12715	3.5
179.14262	3.6
181.10060	3.0
183.07956	1.5
183.11647	2.9
185.09547	2.5
185.13213	9.9
186.45357	1.3
187.11185	2.2
187.14850	7.2
189.12730	4.0
189.16331	3.6
191.14174	1.6
193.15961	1.3
195.11697	3.8
195.13744	2.6
197.13220	4.5
199.11147	1.9
199.14786	5.2
201.12636	1.8
201.16368	3.6
203.10626	1.7
203.14258	2.9
205.12222	2.3
205.15750	2.0
207.13651	1.8
209.13327	2.7
209.15388	1.3
211.11177	1.8
211.14851	2.7
213.12738	1.5
213.16428	2.4
215.14383	1.7
219.13893	1.6
223.14915	2.2
227.14359	2.6
227.17926	2.3
229.15863	1.7
231.13788	2.0
231.21101	1.9
235.17012	1.6
241.19489	5.8
243.21049	4.8
247.16884	1.6
249.14835	4.1
255.21072	1.7
259.20557	15.7
261.22113	21.6
271.16983	1.6
271.20508	1.6
273.22086	4.3
274.58078	1.3
275.20428	2.1
275.23743	3.5
277.05292	1.4
277.21634	5.4
280.74402	1.3
283.20538	1.5
285.21973	2.2
287.20172	1.4
289.21497	5.4
291.23209	3.1
301.21576	4.0
303.23187	14.1
313.21475	2.6
315.23090	3.5
319.22446	3.1
327.23203	2.9
331.22580	2.9
339.23312	1.6
341.24774	4.8
345.24164	4.2
351.23090	6.6
357.24210	1.5
359.25504	2.9
369.24243	19.1
387.25226	14.3
405.26328	16.5
423.27066	17.0
423.32028	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.2
53.47891	2.2
55.01869	12.1
55.05512	28.1
57.03423	8.5
57.07056	5.6
65.03940	4.6
67.05502	100.0
67.16448	2.5
69.03079	2.8
69.03429	33.4
69.07063	22.3
69.31857	7.4
69.32276	16.5
71.04977	9.6
73.02906	6.8
77.30251	2.2
77.45441	2.5
79.05491	85.6
81.03413	34.5
81.07053	96.4
83.04988	7.2
83.08627	10.9
85.02896	8.0
85.06527	3.3
91.05476	51.9
93.07045	95.3
93.07634	5.2
95.04980	14.5
95.08607	83.0
97.02889	88.7
97.06541	5.4
97.10145	4.1
98.20776	4.0
99.04450	39.4
101.02352	2.7
105.07018	37.0
107.08592	50.7
109.02888	17.8
109.06513	6.8
109.10154	38.6
111.04401	5.1
111.08060	3.6
111.57774	2.2
117.07008	18.5
119.08584	36.0
121.06445	2.3
121.10148	54.1
121.46539	2.0
123.04442	2.0
123.08035	6.4
123.11704	13.1
127.03914	57.0
128.06306	2.1
129.07001	5.1
131.04852	3.1
131.08546	26.9
133.10123	24.3
135.08072	4.1
135.11685	35.0
137.13255	4.6
139.11127	2.3
143.08533	7.9
145.04942	8.1
145.06467	2.8
145.10109	23.6
147.11691	23.0
149.09723	2.0
149.13257	16.3
155.08504	2.3
157.10159	3.3
159.11684	19.0
161.13243	14.4
163.14841	5.2
169.10094	2.7
171.11656	5.7
173.09610	2.7
173.13266	17.6
175.14778	5.2
177.12634	2.8
177.16261	2.2
183.11705	3.2
185.13326	3.0
187.14816	9.1
199.14735	3.7
201.16367	3.4
225.96861	2.4
241.19522	3.6
243.21101	9.9
259.20593	14.5
261.22153	45.1
273.22092	3.5
287.23801	2.6
329.24786	4.0
339.23129	2.9
357.24252	6.1
369.24094	2.6
405.25632	2.2
423.27133	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01886	8.9
55.05507	16.8
57.03426	6.9
57.07077	3.4
65.03946	1.6
67.05500	52.4
67.38288	1.7
69.03431	13.8
69.07065	17.9
69.37849	11.8
69.38269	6.1
71.04990	5.6
71.08629	3.4
73.02921	2.3
79.05488	30.7
81.03417	14.7
81.07052	54.1
83.05013	3.2
83.08610	8.6
85.02911	6.3
85.06559	2.8
91.05476	22.6
93.07040	38.2
95.04980	7.1
95.08606	37.2
97.02893	27.7
97.06533	3.7
99.04449	21.7
99.08099	2.0
105.07019	17.3
107.08591	23.3
109.02868	13.0
109.06521	18.2
109.10164	20.6
117.07011	6.4
119.08579	18.0
121.10144	17.4
123.08063	55.0
123.11710	6.5
127.03898	22.9
131.08604	9.2
133.10146	11.5
135.08063	11.1
135.11681	10.5
137.09610	4.9
137.13225	2.5
145.04950	4.1
145.10089	8.3
147.11720	9.3
149.09613	4.1
149.13235	8.1
151.11153	2.1
159.11690	9.8
161.13271	5.2
163.11232	2.8
163.14809	2.3
167.63112	1.8
171.11714	3.3
173.11844	3.0
173.13327	6.1
175.14867	3.3
177.12785	5.2
179.14299	41.5
187.14900	2.5
191.14354	2.0
195.11668	2.1
256.83337	1.7
259.20526	3.9
261.22144	8.3
263.20181	2.4
275.20148	5.6
277.21497	2.2
279.22998	1.8
293.21210	3.1
303.26913	4.1
331.26254	40.4
349.27344	12.8
405.30136	2.4
423.31152	100.0
423.98532	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01855	5.6
55.05512	28.1
57.03423	11.0
57.07065	4.8
58.84607	3.0
59.05003	3.7
67.05502	100.0
69.03416	16.5
69.07065	21.4
69.57875	25.5
71.04987	6.0
73.02895	3.3
79.05496	47.6
81.03403	20.3
81.07059	70.7
82.46169	3.6
83.04980	10.9
83.08610	17.8
85.02911	9.6
85.06503	4.2
91.05461	38.9
93.07041	65.9
95.04958	16.0
95.08604	45.3
97.02881	29.2
97.06530	7.3
97.10197	3.8
98.21520	4.0
99.04462	14.5
105.07024	31.5
107.04942	8.4
107.08594	38.6
109.02878	6.1
109.06470	8.3
109.10143	43.0
111.04403	5.6
113.09677	3.7
117.07031	17.2
119.08585	28.2
121.06480	7.3
121.10131	25.4
123.04472	4.4
123.08035	6.7
123.11697	10.0
127.03915	7.0
129.06990	9.5
131.08537	22.1
133.06581	4.5
133.10146	25.6
134.59280	3.4
135.08049	8.7
135.11655	19.9
137.09575	4.0
142.07732	4.1
143.08562	8.9
145.10123	14.1
147.11694	19.4
149.13258	12.0
155.08568	4.7
157.10152	6.6
159.11702	16.9
161.09668	4.7
161.13272	11.9
163.14801	4.4
169.10094	6.6
171.11635	5.6
173.11731	9.0
173.13264	14.0
175.14801	4.0
183.11658	5.1
185.13289	6.8
187.14897	5.6
199.14838	4.8
233.51762	3.3
259.20654	11.6
261.22183	11.0
303.23215	9.6
341.24527	3.8
351.23206	4.0
369.24216	11.9
387.25259	11.6
405.26306	15.3
423.26962	19.0
423.36511	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	423.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.5
51.88461	2.5
53.03938	7.1
55.01874	5.2
55.05508	23.8
56.96566	5.9
57.03426	8.4
57.07084	4.7
65.03929	4.4
67.05499	100.0
69.03420	27.0
69.07063	22.3
70.18306	13.0
71.04974	9.8
73.02899	2.9
79.05484	50.7
81.03412	30.2
81.07047	89.5
82.68286	2.4
83.04968	8.9
83.08617	17.8
85.02917	12.8
85.06550	3.3
91.05468	43.3
93.07035	61.0
95.04962	15.8
95.08601	50.2
97.02887	21.8
97.06532	7.0
97.10126	4.7
98.97596	4.0
99.04453	8.8
99.08089	3.9
101.81487	2.5
103.03940	4.1
105.06314	3.3
105.07014	39.9
107.04950	5.6
107.08591	39.2
109.02861	6.5
109.06500	4.0
109.10144	37.5
109.55071	2.8
111.04421	3.8
116.98632	5.2
117.06970	11.9
119.08567	24.7
121.06493	4.2
121.10133	30.8
121.36671	2.5
123.08083	7.6
123.11713	6.2
127.03899	8.1
128.06258	4.1
129.05562	2.9
129.07010	8.7
129.13348	2.4
131.00180	4.7
131.08563	31.7
133.10127	29.6
134.99629	7.0
135.08055	7.5
135.11687	21.9
137.09639	4.7
142.07764	3.1
143.08560	7.0
144.09299	3.3
145.06447	3.3
145.10136	16.9
146.99641	3.3
147.11659	17.7
149.01228	6.4
149.09630	4.2
149.13257	15.7
157.10147	7.7
158.99675	3.3
159.11678	21.2
161.09654	2.8
161.13292	12.1
161.14441	2.6
163.11218	2.7
163.14812	3.9
165.01555	2.7
165.12671	3.7
167.02293	2.7
169.10097	4.9
171.11693	8.5
173.11871	3.1
173.13266	11.0
175.14833	4.4
177.00735	5.0
179.14323	4.1
183.11761	6.4
185.13205	4.0
187.14922	4.7
195.13760	4.1
201.16389	4.0
209.13161	2.7
227.14444	3.1
241.19856	3.1
259.20670	6.9
261.22101	14.1
275.20227	4.5
283.04630	2.4
285.22223	3.7
293.05136	3.0
293.21069	5.3
303.23227	7.4
315.23007	3.3
317.17865	6.7
335.18832	3.8
341.24857	2.6
345.24310	3.8
351.23346	3.1
369.24365	8.0
387.25394	12.4
405.26257	11.5
423.26898	19.3
423.31931	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01859	2.3
55.05509	21.5
57.03425	5.6
57.07055	3.2
59.04994	3.2
63.00099	1.3
65.03938	2.9
67.05502	100.0
69.03426	9.7
69.07070	19.5
71.02293	4.4
71.04974	5.2
74.14072	1.5
79.05487	29.7
81.03429	11.8
81.07053	58.7
83.04985	3.8
83.08620	12.5
85.02902	4.1
85.06524	5.0
91.05477	30.2
93.07041	39.2
95.04942	9.1
95.08604	33.4
97.02866	2.0
97.06526	5.4
97.10137	3.1
99.04472	3.0
99.08088	3.5
103.03880	1.6
105.07017	20.1
107.04932	2.2
107.08589	21.4
109.06499	2.7
109.10151	60.2
111.04406	2.3
111.08070	6.3
111.11668	1.5
115.05459	2.1
117.07001	9.8
119.08579	17.4
121.10144	16.5
123.08109	4.2
123.11736	4.3
127.03811	1.8
129.07004	3.7
131.08572	11.5
133.10130	12.0
135.08046	2.4
135.11626	8.1
137.09691	1.7
143.08571	2.8
145.10132	6.6
147.08029	2.2
147.11696	7.6
149.13249	18.1
157.10129	2.6
159.11708	10.5
161.13245	4.1
163.11189	1.8
171.11642	3.3
173.11746	15.7
173.13266	5.8
175.14798	2.4
177.12758	3.7
179.14354	2.7
185.13287	3.5
187.11084	2.0
187.14822	3.4
195.13770	7.0
199.14780	2.1
201.16357	2.0
213.16382	1.5
215.17841	2.0
241.19554	2.6
259.20572	3.6
261.22208	4.7
277.21475	2.1
303.23157	4.0
369.24054	4.7
387.25052	4.6
405.26587	7.2
407.90549	1.8
414.43823	1.4
423.27338	25.7
423.32111	2.4
423.36481	2.1
433.98367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.3
55.05500	4.2
56.05031	2.0
57.07029	2.6
61.01161	9.0
67.12061	2.0
68.12778	1.9
69.92894	11.4
70.02973	2.0
70.06568	7.7
71.04950	3.3
72.04517	17.1
72.08156	20.1
73.02896	2.1
78.03790	18.8
81.03407	2.2
83.04958	2.8
84.04526	3.0
84.08152	5.5
85.02898	11.5
86.09711	5.4
88.02202	8.8
91.05479	3.7
93.87583	1.8
94.67908	1.7
95.04942	3.1
97.06536	2.8
99.04436	8.5
99.05577	3.4
102.03761	29.5
103.03942	17.3
109.02868	6.7
114.03711	2.8
116.01713	2.0
119.04987	2.1
120.04791	3.8
120.08092	18.0
124.07536	2.2
126.05513	26.5
127.03899	8.6
131.06375	14.2
132.04793	16.0
134.05984	7.2
136.07555	4.5
141.06590	2.4
142.08623	7.2
147.04372	3.6
149.07430	68.8
152.07043	12.4
154.08606	2.4
156.06488	2.1
159.05899	2.6
175.05392	3.9
176.34398	2.3
177.10222	5.4
180.06548	14.2
184.09657	3.4
185.04184	2.5
198.07608	3.3
205.09761	4.6
211.08635	3.1
213.10266	2.1
216.08775	4.5
225.10191	2.2
231.11699	6.1
239.08104	3.2
253.09753	2.6
257.09357	2.2
261.10858	38.2
275.10590	5.5
278.01703	2.1
293.11633	100.0
294.12094	3.4
299.10181	5.1
327.09802	13.3
345.10721	13.3
387.11844	14.1
405.12579	14.5
405.16925	31.6
423.15704	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	423.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42725	1.0
53.03959	1.1
58.99587	6.9
61.02915	1.6
67.05502	6.8
69.03419	3.6
69.07067	16.8
70.06570	1.4
71.57053	1.4
72.09766	1.0
76.02223	3.5
81.03416	2.7
84.04482	1.6
84.08147	1.7
85.02901	9.7
88.03996	1.7
93.07037	0.9
95.04980	2.4
97.02901	3.3
97.06518	1.1
99.02666	2.8
99.04398	1.2
101.04241	46.3
109.02885	1.5
110.06003	1.4
110.32111	1.0
112.07630	2.5
112.50483	0.8
118.98271	0.9
120.08118	1.6
122.02778	1.2
126.05535	1.2
127.02145	4.8
127.03898	2.2
127.05791	3.5
129.03699	2.9
129.10254	1.1
140.07053	9.7
146.65067	0.9
155.01640	1.5
163.44600	0.9
170.06381	2.5
172.04268	100.0
180.04808	1.5
182.08148	2.6
192.96150	0.9
197.07448	2.3
198.05823	3.5
214.05359	10.9
214.63228	0.9
215.08507	5.1
240.06937	1.2
242.98184	1.0
244.06398	11.4
261.09052	17.0
261.11673	1.5
284.11267	1.7
286.07385	1.3
302.12238	1.3
303.10196	1.3
334.09683	1.9
342.10208	1.4
365.53928	1.0
377.13696	10.0
416.81552	1.0
423.14313	48.0
424.14713	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03433	1.0
57.07065	0.9
59.67452	0.7
59.96056	0.7
67.05495	0.9
69.03429	1.7
69.07073	0.9
71.15639	1.9
72.08138	0.9
79.05491	1.7
81.07053	6.5
83.04958	1.3
85.02905	8.2
86.09653	0.8
88.77705	0.8
91.05479	2.3
93.07028	4.4
95.08585	3.9
97.02861	1.5
100.57755	0.9
105.07027	36.5
107.08598	6.1
109.10143	1.5
119.08575	46.7
120.08884	1.0
121.10143	12.5
123.08090	1.7
125.09626	0.9
127.03954	1.1
133.10106	3.5
135.11687	1.8
137.09654	1.3
151.07619	1.1
151.14790	1.0
161.13246	100.0
162.13609	3.0
165.09120	1.1
179.14308	29.1
179.15837	1.8
197.15361	1.1
207.13805	14.0
216.97705	0.9
224.74411	0.7
225.14838	40.8
226.15146	1.5
243.16086	1.3
290.06631	1.0
304.70630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	35.9
55.05507	13.1
56.05023	7.4
56.96567	6.7
57.03430	9.3
58.99582	9.9
60.04519	5.6
61.02897	5.8
67.05492	12.2
69.03426	16.8
69.07066	35.8
69.60494	38.3
70.06586	20.1
71.04996	13.1
72.08141	7.3
74.00665	12.7
76.02227	15.1
76.04005	12.4
79.05502	8.2
81.03404	6.3
81.07053	20.1
83.04980	6.9
84.04483	43.8
84.08147	8.8
85.02891	32.6
85.04014	7.0
86.06067	7.2
86.09694	16.3
86.99047	7.9
88.03972	5.3
91.05469	15.0
92.01681	8.0
93.07063	13.8
93.09612	4.3
95.04964	9.4
95.08624	15.1
95.91016	5.2
97.02879	12.8
97.06522	100.0
98.09684	5.5
99.04403	4.9
99.05586	11.6
103.03979	7.0
105.07024	18.0
107.04967	6.7
107.08593	11.1
109.02869	9.2
109.06500	10.9
109.10168	5.6
113.05993	4.5
116.01645	34.0
119.08598	18.5
120.08096	7.6
121.10145	21.2
123.08052	12.7
126.05498	6.6
127.04015	5.8
127.05791	5.1
130.04985	36.3
131.04507	6.7
133.10054	7.8
135.08069	15.6
136.07452	6.0
136.94162	4.7
137.09517	10.9
139.03891	5.4
143.08589	5.0
144.01151	16.6
145.06078	10.6
146.05991	7.0
147.11679	14.2
149.09613	17.1
152.07108	6.1
153.01756	6.3
159.11613	5.7
161.13260	14.0
162.02188	39.2
163.07292	4.9
163.11165	11.0
163.47864	4.8
164.53226	5.6
172.07925	12.8
177.03267	38.4
177.12744	14.8
179.04851	5.8
179.14339	7.8
189.12784	15.7
190.08946	33.3
195.13786	11.2
200.07378	10.0
207.13863	18.3
213.10251	7.9
222.08278	9.5
225.14882	29.2
226.07367	6.5
227.07959	6.0
227.11858	9.3
241.06371	6.5
241.09695	11.8
243.11267	5.0
248.09378	4.3
255.11290	30.6
258.08026	11.9
259.10855	9.2
273.03937	8.6
275.10559	8.5
276.09070	15.1
283.10693	23.5
293.11597	22.8
301.11777	45.0
303.05026	12.4
306.07608	6.3
317.13593	8.0
329.11194	5.6
345.10925	5.5
347.12811	8.7
404.22845	5.7
405.12711	6.9
422.13696	9.6
422.18759	10.8
422.23694	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	35.9
55.05507	13.1
56.05023	7.4
56.96567	6.7
57.03430	9.3
58.99582	9.9
60.04519	5.6
61.02897	5.8
67.05492	12.2
69.03426	16.8
69.07066	35.8
69.60494	38.3
70.06586	20.1
71.04996	13.1
72.08141	7.3
74.00665	12.7
76.02227	15.1
76.04005	12.4
79.05502	8.2
81.03404	6.3
81.07053	20.1
83.04980	6.9
84.04483	43.8
84.08147	8.8
85.02891	32.6
85.04014	7.0
86.06067	7.2
86.09694	16.3
86.99047	7.9
88.03972	5.3
91.05469	15.0
92.01681	8.0
93.07063	13.8
93.09612	4.3
95.04964	9.4
95.08624	15.1
95.91016	5.2
97.02879	12.8
97.06522	100.0
98.09684	5.5
99.04403	4.9
99.05586	11.6
103.03979	7.0
105.07024	18.0
107.04967	6.7
107.08593	11.1
109.02869	9.2
109.06500	10.9
109.10168	5.6
113.05993	4.5
116.01645	34.0
119.08598	18.5
120.08096	7.6
121.10145	21.2
123.08052	12.7
126.05498	6.6
127.04015	5.8
127.05791	5.1
130.04985	36.3
131.04507	6.7
133.10054	7.8
135.08069	15.6
136.07452	6.0
136.94162	4.7
137.09517	10.9
139.03891	5.4
143.08589	5.0
144.01151	16.6
145.06078	10.6
146.05991	7.0
147.11679	14.2
149.09613	17.1
152.07108	6.1
153.01756	6.3
159.11613	5.7
161.13260	14.0
162.02188	39.2
163.07292	4.9
163.11165	11.0
163.47864	4.8
164.53226	5.6
172.07925	12.8
177.03267	38.4
177.12744	14.8
179.04851	5.8
179.14339	7.8
189.12784	15.7
190.08946	33.3
195.13786	11.2
200.07378	10.0
207.13863	18.3
213.10251	7.9
222.08278	9.5
225.14882	29.2
226.07367	6.5
227.07959	6.0
227.11858	9.3
241.06371	6.5
241.09695	11.8
243.11267	5.0
248.09378	4.3
255.11290	30.6
258.08026	11.9
259.10855	9.2
273.03937	8.6
275.10559	8.5
276.09070	15.1
283.10693	23.5
293.11597	22.8
301.11777	45.0
303.05026	12.4
306.07608	6.3
317.13593	8.0
329.11194	5.6
345.10925	5.5
347.12811	8.7
404.22845	5.7
405.12711	6.9
422.13696	9.6
422.18759	10.8
422.23694	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	422.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.3
57.03415	2.8
58.99578	13.8
66.96086	2.3
69.07056	4.1
71.48008	5.1
74.00639	3.0
76.02223	69.0
76.03997	4.0
79.05466	8.2
84.04501	26.9
84.08129	2.8
85.02872	3.4
85.04025	6.5
86.98995	2.7
97.06520	100.0
116.01653	22.7
127.03899	5.4
130.04987	21.8
131.04549	2.4
141.15915	2.7
142.03214	5.6
144.01118	10.9
147.12311	2.2
154.06828	6.8
162.00829	2.9
162.02176	41.4
170.02672	4.3
172.07874	6.9
177.03271	14.1
179.04839	80.2
182.31778	2.0
233.05888	19.3
245.06035	2.6
257.09506	9.5
260.16876	2.7
308.09094	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	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13144	0.6
55.01857	1.1
55.05505	1.9
57.03408	1.0
65.51723	0.8
65.97605	0.7
67.05496	1.5
69.03417	3.0
69.07057	0.8
70.06582	1.3
71.04996	0.8
72.08141	1.5
79.05482	2.8
81.03407	1.2
81.07043	9.4
85.02894	9.2
85.06528	0.7
86.09716	0.7
90.12960	0.8
91.05464	3.0
93.07034	7.3
95.04972	0.9
95.08606	4.9
97.02881	1.5
97.06516	0.8
99.04418	0.9
105.07027	39.6
107.08577	7.2
109.02837	1.1
109.06532	0.9
109.10149	2.3
117.07047	0.7
119.08573	51.0
120.08886	1.3
121.10141	17.5
123.08060	1.4
125.09630	1.1
127.03918	1.3
130.27831	0.7
133.10141	4.9
135.11670	1.1
137.13191	0.9
145.04926	1.0
151.14810	1.0
161.13246	100.0
162.13606	3.3
163.14865	0.9
165.09163	1.0
179.14311	29.4
197.15315	1.0
207.13806	15.2
225.14845	47.8
226.15147	2.4
232.73015	0.7
243.15912	1.5
245.09833	0.8
268.30557	0.8
325.60428	0.9
436.01260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87532	0.4
56.96551	1.4
63.75762	0.4
69.03416	1.8
70.06566	0.5
71.57333	0.6
72.08124	0.5
74.00661	0.7
81.03406	1.1
84.04504	1.0
84.08130	0.6
85.02906	5.5
97.02866	1.7
98.97566	1.1
102.31156	0.5
106.54066	0.5
109.02869	0.8
115.02140	2.1
116.98657	1.7
119.04978	0.5
120.01125	0.7
120.08064	0.7
127.03899	1.5
127.99261	0.8
134.99631	0.5
143.01619	19.6
145.04964	0.8
146.99615	1.1
147.04416	1.4
157.07619	0.6
161.01176	0.5
171.01109	100.0
172.01367	1.1
172.26959	0.6
177.00687	0.5
199.04532	0.6
219.01749	0.8
237.02753	0.9
257.03931	0.5
260.05878	11.1
262.12115	0.5
286.10568	0.5
289.68784	0.5
357.03601	0.5
386.08978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29062	0.6
55.01867	1.0
55.05501	1.6
56.05022	0.8
56.96547	0.8
57.03426	0.9
57.86714	0.6
60.04494	0.7
67.01849	2.7
67.05499	2.0
68.99783	1.7
69.03432	3.2
69.07055	1.8
70.06584	1.9
70.86745	2.2
79.05487	1.6
81.03400	1.6
81.07044	3.4
84.04490	2.5
85.02906	1.7
86.09666	0.9
91.05474	3.0
93.07027	2.5
95.04932	0.8
95.08614	4.1
97.02896	2.7
97.06524	1.2
103.05450	0.9
105.07022	2.4
107.08575	2.9
109.02864	4.3
109.06505	0.9
109.10165	1.9
111.00816	0.7
113.42908	0.6
116.37911	0.6
116.98589	1.2
117.99570	1.8
119.08573	3.2
119.94271	0.6
120.08131	1.2
121.01083	3.2
121.10125	1.7
121.49184	0.6
123.08057	1.1
123.11695	0.7
127.03913	1.5
129.00026	1.7
129.06944	1.1
131.08525	1.8
132.08000	0.7
133.10114	0.9
135.11743	1.0
136.06165	3.0
137.05952	4.0
141.36685	0.6
145.06496	0.7
145.10118	1.4
147.11694	1.5
148.02151	2.3
149.00558	15.7
149.13286	1.0
152.08267	0.8
153.01830	81.3
154.02188	0.9
156.99513	3.4
157.10115	1.3
159.11705	2.5
161.13234	1.0
162.03154	1.5
165.00075	1.5
166.00900	0.9
169.03111	0.7
171.02844	3.8
173.13287	1.2
174.07637	2.4
174.09045	0.7
175.11235	0.6
176.01653	13.1
176.07065	1.5
177.05452	5.2
179.03418	2.1
179.07040	1.8
180.02403	2.9
181.03215	1.6
187.11096	0.7
187.14870	0.9
190.08669	0.9
192.04742	1.7
193.01884	6.3
193.03419	0.8
194.00327	4.8
197.13242	0.9
208.04280	29.6
209.02679	15.9
209.04520	0.9
220.13235	0.8
224.07391	0.7
227.03708	1.2
231.17445	1.0
239.02507	1.0
250.86595	0.7
254.04820	100.0
255.05138	1.6
270.07895	3.9
278.35272	0.8
300.16022	0.7
301.08279	0.6
301.11841	1.8
318.87857	0.8
333.04428	1.4
346.16568	1.0
348.21552	1.0
378.19092	2.2
382.68893	0.7
404.22818	1.0
421.34695	1.6
422.25363	7.7
422.34946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.15380	1.7
55.01880	2.5
55.05510	2.0
67.01860	3.8
67.05502	4.6
68.99792	5.5
69.03416	6.6
69.07060	3.1
70.06583	5.7
71.56403	2.2
72.08150	2.8
79.05479	2.4
81.03411	4.1
81.07045	5.1
83.04959	1.6
84.04488	7.7
84.08168	1.5
85.02897	6.1
85.07304	1.5
86.09707	5.0
87.00825	1.6
87.04456	1.5
88.03980	2.4
91.05482	4.2
93.07021	2.9
95.08595	2.2
97.02887	6.4
97.06500	3.0
103.05489	1.5
105.07027	5.0
106.27582	1.5
107.04951	12.3
107.08639	1.7
108.05292	5.8
108.97539	1.7
109.02885	3.9
109.10164	1.9
111.00828	3.0
111.08141	1.6
117.07045	1.5
117.78490	1.5
119.03602	2.1
123.04421	1.4
127.03899	3.9
130.04984	2.4
131.08583	2.8
131.13568	1.5
133.02827	3.2
133.10046	1.6
135.04434	9.4
136.06181	87.4
137.05936	2.5
139.11201	1.7
147.02670	2.8
147.04391	1.8
147.11700	1.5
149.00566	5.3
149.02319	3.5
149.05994	1.9
151.02061	1.7
151.03909	3.3
151.07498	1.5
151.83681	1.5
153.01826	100.0
154.97983	5.9
161.02332	3.1
167.01503	1.3
167.07077	1.9
171.02843	9.7
174.07591	9.1
175.02240	2.9
175.03864	2.2
177.01802	7.2
177.05399	1.9
179.01814	1.9
179.03386	33.9
181.03212	6.8
195.02852	1.9
197.04398	4.7
199.03883	3.3
200.98479	3.4
201.00093	5.1
202.00809	3.6
207.01158	3.8
207.04730	2.6
209.02640	1.8
215.17929	1.4
217.03102	1.7
218.00320	2.3
223.02350	3.5
227.01591	13.9
230.00320	24.4
231.01218	1.9
232.01964	6.7
233.02654	3.0
233.99690	2.1
241.03307	2.0
244.01736	2.4
245.02670	74.7
247.04298	4.8
248.01512	2.1
249.02199	4.7
253.05185	2.8
255.01138	4.6
256.01819	2.5
258.11115	3.2
259.82236	1.7
263.03717	3.3
270.07953	4.5
272.01428	5.5
273.02167	27.4
279.03259	1.8
283.00598	5.7
296.05823	2.6
300.00842	16.3
300.15985	1.9
312.18143	3.8
315.03189	37.8
330.19296	11.7
333.04251	22.6
341.04749	3.1
348.20175	3.2
359.05841	25.5
359.10101	0.9
376.08447	5.3
387.05292	31.3
400.44852	1.5
404.22922	8.7
405.06320	23.9
408.76852	1.7
422.08978	8.6
422.18448	2.1
422.23923	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.9
55.05510	18.6
57.03414	5.3
57.07072	4.8
65.03959	3.1
67.05171	4.6
67.05500	41.2
69.03416	8.7
69.06775	2.9
69.07065	31.4
70.06582	3.2
71.04996	3.7
71.08610	4.8
71.57224	2.8
79.05486	29.1
81.03413	5.7
81.07060	56.1
82.07372	3.3
83.04976	5.4
83.08609	12.9
84.04488	7.2
85.02878	6.6
91.05486	35.6
93.07035	41.7
95.04968	17.3
95.08605	100.0
97.02891	9.0
97.10165	10.5
100.73547	2.9
103.05489	4.0
105.07020	52.3
107.04946	5.1
107.08588	51.9
109.06495	8.6
109.10146	50.6
111.08098	3.4
117.06996	9.0
119.08578	63.0
121.06488	8.4
121.10145	39.2
123.08073	30.4
123.11697	19.1
123.12442	3.9
125.09609	7.0
128.06155	3.7
129.07005	8.4
131.08582	29.9
133.06494	3.6
133.10124	37.9
135.11674	23.5
137.05991	8.6
137.13246	16.4
142.07811	5.3
143.08549	15.1
144.09181	4.1
145.10107	33.0
147.08029	5.6
147.11688	23.1
149.09669	5.0
149.13245	19.9
151.11172	3.1
155.08556	5.8
156.09337	7.4
157.10110	25.6
159.11690	45.2
161.09587	5.6
161.13257	18.7
163.11186	4.2
163.14825	11.1
169.10088	9.6
171.11650	18.6
173.13235	23.4
174.07539	4.3
175.11137	5.8
175.14830	14.9
177.12752	9.2
177.16373	7.0
181.09993	3.7
183.11702	10.9
185.13223	12.5
187.14824	20.3
189.12671	5.2
189.16371	24.0
191.14291	10.2
191.17880	21.1
193.15752	4.1
195.11656	3.2
197.13199	4.7
198.78871	3.0
199.14767	8.7
201.12682	3.7
201.16374	22.0
203.14352	8.9
203.17978	22.2
205.15863	4.2
205.19460	4.4
209.13168	4.1
213.16351	12.6
215.14395	4.6
215.17926	8.6
217.15871	5.5
217.19394	6.5
217.32846	2.9
223.14746	4.1
227.17978	7.2
229.15878	6.6
229.19476	6.8
231.17419	26.7
231.21046	5.8
237.16519	3.6
239.17931	5.8
241.15810	4.1
241.19527	7.2
243.17546	4.4
243.20854	5.0
253.19528	4.0
265.19455	4.5
267.21051	3.6
269.19193	5.5
269.22372	4.8
283.20554	4.6
329.21039	13.6
363.77097	3.1
381.39429	3.1
393.35281	6.1
403.24014	3.2
403.33804	16.3
416.16983	3.4
421.21753	7.1
421.26251	5.5
421.34702	89.8
422.34839	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	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14885	1.6
53.03927	1.5
55.05504	14.3
57.07059	7.2
62.09020	1.6
64.56427	1.8
67.05496	28.0
69.06721	2.0
69.07064	24.3
69.29010	13.6
69.29417	4.1
71.00318	1.4
71.08623	2.0
79.05488	13.6
81.06588	2.8
81.07055	52.8
83.08607	10.4
86.13223	1.5
91.05474	17.8
93.06474	2.7
93.07034	31.2
95.04950	4.5
95.08604	100.0
95.67516	1.5
97.10152	8.3
103.05440	1.7
105.07024	38.3
107.04984	2.2
107.08585	46.2
109.06509	3.2
109.10147	37.1
111.08039	1.7
115.49952	1.5
117.07027	10.1
119.08574	56.0
121.06474	2.4
121.10134	34.9
123.08064	24.8
123.11691	21.6
128.06256	2.2
129.06993	4.7
131.08563	18.5
133.10121	31.5
135.07996	2.5
135.11679	25.0
137.09593	1.8
137.13231	19.4
142.07756	5.1
143.08533	13.0
144.09328	4.3
145.10112	35.2
147.08029	2.0
147.11676	27.5
149.09705	2.1
149.13234	20.3
151.14871	2.8
155.08549	4.4
156.09370	4.2
157.10133	19.0
158.10867	3.7
159.11685	40.0
161.09648	3.7
161.13249	18.1
163.11096	1.9
163.14832	13.5
169.10114	7.0
170.10893	3.8
171.11696	12.7
173.13245	26.1
175.11140	4.8
175.14798	17.6
177.12770	9.4
177.16353	11.4
181.10217	2.3
183.11650	6.9
185.13235	12.9
185.57359	1.9
187.14801	23.2
189.12701	3.8
189.16350	16.4
191.14218	12.5
191.17961	18.8
193.15857	1.9
195.11708	3.0
196.12492	1.7
197.13234	8.9
199.14815	12.9
201.12758	3.0
201.16400	14.1
203.14293	10.9
203.17940	22.5
205.15829	3.7
205.19513	1.6
209.13264	3.2
211.14807	6.8
212.15579	2.1
213.16365	16.6
215.14244	4.1
215.17961	9.2
217.15910	6.8
217.19470	7.2
223.14749	3.2
225.16418	4.3
227.14296	2.6
227.17932	5.5
229.15845	5.4
229.19562	4.9
231.17410	22.8
231.21059	5.2
233.19067	1.9
236.15511	1.7
237.16255	1.9
239.17928	3.8
241.15802	7.1
241.19554	5.2
243.17422	4.3
243.21059	5.0
245.18828	2.4
251.17934	3.5
253.19513	4.1
255.17572	3.2
255.21078	3.9
257.18973	3.2
265.19507	3.6
269.18982	4.6
269.22617	3.1
271.20651	3.6
271.24313	1.9
279.21194	1.8
281.22519	2.0
283.20474	6.0
285.22183	2.0
295.24173	3.6
297.22147	2.9
321.25443	1.7
329.20792	1.8
376.69638	1.5
379.29877	1.7
393.35071	5.3
403.33487	14.7
421.34598	91.9
422.34961	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	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03933	1.4
53.38845	1.0
55.05507	17.8
57.03422	1.2
57.07071	6.8
65.03912	1.9
65.10553	1.0
67.05502	25.7
69.06686	1.2
69.07059	22.2
70.32240	1.0
71.04981	1.5
79.05064	1.2
79.05491	15.5
81.07050	56.4
83.04949	2.4
83.08608	9.8
91.05472	19.3
93.07035	33.0
95.04958	3.9
95.08600	100.0
97.10149	7.8
98.21486	3.4
105.07018	39.5
107.04945	1.8
107.08588	42.8
109.06494	2.7
109.10146	39.3
111.08080	2.3
111.11707	2.1
115.05446	1.5
117.07019	8.8
119.08570	49.3
121.06523	2.2
121.10136	30.6
123.08051	19.7
123.11691	17.3
125.09592	1.4
125.13226	1.0
128.06236	2.8
129.06979	5.4
130.07767	1.1
131.08557	19.3
133.06471	1.0
133.10118	29.3
135.08005	1.6
135.11678	22.7
137.09592	1.7
137.13246	21.9
141.06941	2.3
142.07797	4.9
142.37459	1.0
142.38547	1.1
143.08537	11.9
144.09311	3.6
145.10106	26.4
147.08025	1.4
147.10509	1.5
147.11682	24.8
149.09642	2.7
149.13234	19.6
149.14359	1.2
151.14806	2.2
155.08527	5.9
156.09344	4.3
157.10110	20.6
158.10820	1.3
159.08002	1.4
159.11684	33.6
161.09619	2.5
161.13235	16.6
163.11185	2.2
163.14792	10.8
164.25186	1.0
165.12750	1.1
169.10132	7.0
170.10886	2.3
171.10297	1.3
171.11705	14.4
173.09531	1.1
173.13231	24.2
175.11179	5.0
175.14828	15.4
177.12743	10.2
177.16370	10.4
181.10120	3.0
182.10980	1.1
183.11694	8.0
184.12477	1.4
185.13237	9.6
187.14809	20.2
189.12737	2.8
189.16370	16.4
191.14302	9.6
191.17941	18.8
193.15851	1.6
195.11668	2.7
197.13226	7.1
199.14806	9.3
201.12756	3.7
201.16319	12.0
203.14281	9.2
203.17943	22.8
205.15872	3.2
205.19496	3.3
209.13246	3.9
211.14650	5.2
213.16365	16.0
215.14320	3.6
215.17928	10.3
217.15927	6.0
217.19437	7.4
219.17467	2.9
223.14804	2.8
225.16357	3.4
227.14380	2.0
227.17882	8.1
229.15894	4.8
229.19452	4.9
231.17418	19.0
231.21085	4.3
233.18999	2.0
237.16376	2.8
239.17999	3.8
241.15819	6.1
241.19432	5.5
243.17459	5.4
243.21062	5.0
245.18912	2.0
245.22586	2.4
251.17993	3.5
253.19484	3.0
255.17523	2.3
255.21112	5.5
257.19037	1.9
257.22717	1.8
265.19537	3.2
267.21063	2.4
269.19086	5.0
269.22653	2.7
271.20551	3.2
279.21005	3.2
281.22708	1.7
283.20547	7.0
283.23804	2.2
285.22134	2.1
297.22272	2.8
316.11813	2.0
329.20996	1.4
365.28372	1.9
379.29834	1.6
393.35095	4.4
403.33563	14.9
421.22375	2.4
421.34616	78.9
422.35153	5.3
428.02264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.6
55.05515	15.3
56.23835	2.7
57.03419	11.5
57.07069	20.6
61.21730	2.9
62.70715	3.1
67.05492	31.7
69.07063	27.4
71.04990	4.4
71.08607	5.1
76.40749	2.4
79.05488	18.7
81.07059	41.7
83.04967	7.5
83.08598	8.4
83.14233	2.6
85.02870	3.1
85.06535	8.8
91.05470	18.3
93.06541	3.7
93.07047	32.7
95.04947	8.3
95.08603	34.7
97.06535	16.2
105.07047	16.0
107.08578	28.4
109.06503	22.6
109.10136	16.2
111.04424	4.2
111.08090	5.2
112.52341	2.9
117.07027	3.2
119.08558	15.1
121.06514	7.2
121.10135	13.3
123.08059	16.8
123.11671	5.6
125.05984	7.0
125.35957	2.8
131.08582	7.2
133.10085	9.4
135.06995	4.0
135.08037	66.9
135.11687	15.8
137.05972	19.0
137.09645	4.8
143.08568	3.5
145.10088	10.0
147.11705	9.6
149.09572	7.9
149.13257	7.5
151.07530	9.8
151.11232	5.6
153.12712	4.3
157.10124	3.8
159.11688	7.4
161.09627	7.8
161.13319	6.8
163.11182	4.7
165.12782	8.1
171.11713	3.0
173.13213	4.5
177.12712	17.3
179.14296	8.1
181.12143	5.2
193.12236	4.5
207.13692	3.7
221.18916	3.9
225.12935	3.0
233.19019	3.3
263.20010	5.6
305.24725	48.6
319.26230	20.9
329.21185	5.5
329.24661	13.4
339.19046	9.1
347.21545	5.2
347.25769	100.0
363.19351	6.5
363.66049	3.0
365.26767	12.5
393.29959	8.2
401.56952	3.1
403.28796	5.1
421.25150	8.8
421.29749	73.5
421.35010	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	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	6.7
55.05508	15.1
57.03432	13.2
57.07072	13.2
67.05173	2.4
67.05502	26.2
69.03414	1.5
69.06722	2.3
69.07064	32.8
70.40469	1.3
71.04971	2.8
71.08630	2.7
72.28268	1.3
77.79705	1.5
79.05488	20.4
81.07050	37.6
83.04979	5.8
83.08614	8.5
85.06551	6.5
91.05474	12.9
92.93626	1.3
93.07036	30.3
95.04932	6.4
95.08601	30.9
97.06521	11.7
97.10153	2.4
99.08093	2.7
105.07010	10.6
107.08588	26.6
109.06512	21.9
109.10152	13.3
111.04449	6.1
111.08076	5.6
111.11600	1.5
117.07032	2.0
119.08578	10.2
121.06486	2.8
121.10123	11.3
123.08046	13.8
123.11688	3.2
125.05984	5.4
125.09637	1.7
129.07022	1.8
131.08543	4.4
133.10135	5.7
135.08046	24.0
135.11674	15.9
137.05981	19.2
137.09608	3.5
137.13239	3.8
139.07497	2.8
145.10135	7.9
147.08046	1.6
147.11681	6.0
149.09601	5.6
149.13222	4.0
151.07559	7.8
151.11177	2.7
153.12743	3.3
157.10159	1.8
159.11722	3.0
161.09605	5.3
161.13263	2.4
163.11159	3.7
163.14813	1.9
165.12747	4.3
167.14333	3.0
175.11211	3.2
177.12692	7.9
179.14302	5.5
181.12250	7.5
187.14836	1.7
193.12279	3.3
195.13803	3.1
203.14438	2.2
205.15892	1.6
207.39052	1.3
217.14555	1.4
221.19005	3.6
235.20576	5.1
236.68970	1.4
263.19974	4.8
263.72507	1.5
277.21597	1.9
287.23773	2.0
301.25256	1.5
303.26678	2.4
305.24725	83.7
315.92221	1.3
319.26337	27.5
319.29929	1.0
320.26553	1.8
329.21149	2.0
329.24722	6.2
345.51910	1.3
347.25800	100.0
348.26080	3.3
365.26846	9.9
393.29642	5.2
403.28473	4.0
421.24350	2.7
421.29510	32.8
421.34637	2.8
429.03830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
55.01865	4.5
55.05511	10.4
57.03434	9.7
57.06785	1.9
57.07073	39.9
64.34034	0.9
67.05504	18.6
69.03413	1.6
69.07067	11.3
69.41125	1.0
70.29280	1.2
70.29620	4.5
71.04985	2.4
71.08628	1.6
79.05491	14.1
81.03414	1.5
81.07055	28.5
83.04985	3.6
83.08622	4.3
85.06540	18.7
91.05476	8.7
93.07043	16.0
95.04975	3.4
95.08611	20.0
97.06530	5.9
97.10164	0.9
102.90936	1.1
105.07020	9.3
107.04971	1.5
107.08585	16.2
109.06513	18.3
109.10147	9.1
111.04462	3.6
111.08090	4.2
117.07027	1.4
119.08581	10.8
121.06555	2.1
121.10138	11.8
123.08064	10.4
123.11732	3.4
123.66292	0.9
125.06017	4.8
125.09650	1.9
131.08606	2.8
133.10101	7.9
135.08049	15.4
135.11685	6.1
137.05977	26.7
137.09618	2.5
137.13257	2.8
139.07564	1.4
143.08545	1.4
145.10106	5.6
147.08055	1.5
147.11661	5.8
149.09622	4.8
149.13258	3.2
150.61275	1.1
151.07518	7.9
151.11197	3.3
153.12747	1.7
157.10139	1.9
159.07970	1.3
159.11736	2.4
161.09625	3.4
161.13278	3.5
163.07639	1.0
163.11195	1.9
163.14844	1.7
165.09174	1.7
165.12746	8.1
167.14418	1.1
171.11720	2.0
173.13377	1.2
175.11230	3.2
175.14825	1.3
177.12750	6.3
179.14291	5.0
185.13293	1.2
187.14880	1.2
189.12819	1.7
191.14310	2.8
191.35271	1.1
193.12268	2.6
203.17955	1.6
205.15915	1.3
207.13780	7.8
213.12801	1.1
221.19037	1.3
233.19041	4.6
261.18546	1.1
263.20059	5.8
277.18051	1.7
277.21729	1.2
291.19632	1.1
301.25247	1.8
305.24744	2.5
319.26334	15.6
329.21378	1.6
329.24902	4.4
337.27271	7.4
347.25800	100.0
348.26175	3.8
365.26898	19.1
366.27161	1.2
393.30048	10.8
403.28650	3.0
421.29584	47.7
422.29779	1.3
426.06320	1.1
430.93729	1.2
437.75708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2578
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.02903	5.2
53.03935	7.3
53.16461	4.9
55.01874	10.5
55.05515	37.1
57.03413	16.2
57.07054	6.0
62.66461	6.3
64.33188	5.4
67.05499	99.3
69.03416	11.9
69.07064	26.7
71.04989	8.8
71.58224	9.6
73.42390	6.6
79.05491	81.0
81.03408	38.9
81.07055	84.5
83.04976	10.9
83.08601	23.7
83.12156	5.2
85.02898	9.4
91.05476	100.0
93.07039	87.4
95.04985	37.7
95.08593	50.0
97.02880	10.6
97.06530	10.4
97.10139	10.7
99.37844	5.2
99.97086	5.7
103.44959	5.3
105.07026	84.9
107.04936	17.9
107.08591	42.5
109.06526	11.6
109.10136	39.8
111.04388	7.8
111.08056	8.9
117.07008	43.1
119.08572	69.8
121.06470	17.6
121.10155	36.1
123.04417	7.9
123.08049	9.3
128.06181	7.8
129.06995	33.1
131.08554	73.1
133.06448	12.2
133.10135	68.0
135.08052	12.0
135.11726	31.8
137.02242	6.3
141.06955	7.2
142.07718	8.4
143.08571	24.4
145.10135	55.9
147.08098	6.0
147.11652	46.4
149.13229	16.3
155.08560	11.6
157.10106	30.5
159.08037	9.4
159.11697	44.3
161.09517	11.6
161.13251	25.6
163.11172	6.7
167.08543	8.7
169.10077	15.5
171.11681	28.3
173.13252	30.5
173.14540	5.7
175.11115	5.8
175.14842	13.5
177.16327	6.6
183.11697	15.6
185.09613	8.6
185.13263	19.9
187.14832	16.3
189.12653	7.7
189.16322	8.9
193.12219	11.7
195.11580	9.9
197.13281	11.7
201.16481	8.8
203.10689	10.2
203.14223	7.1
229.19536	6.5
231.17308	6.8
239.17915	11.5
241.19493	15.2
257.19012	10.4
259.20596	32.3
271.20615	7.2
275.19977	12.3
283.20407	6.8
301.21542	41.9
321.35468	6.0
325.21497	6.8
329.21198	34.8
349.21408	8.2
367.22556	25.5
385.23615	27.4
403.24832	58.7
421.25900	71.5
421.34702	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	421.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07605	4.2
53.03928	9.9
55.01865	12.8
55.05513	39.9
57.03419	6.8
57.83112	4.7
61.02914	5.6
67.05499	77.6
67.35264	4.3
69.03422	19.6
69.07059	28.1
71.04977	10.2
71.57133	6.4
73.02922	4.6
79.05487	59.8
81.03420	30.2
81.07050	59.1
83.04977	10.9
83.08615	18.3
83.99789	4.2
84.04471	4.9
85.02880	16.3
85.06534	8.9
91.05484	81.5
93.07042	70.0
95.04955	33.6
95.08604	62.6
97.02870	11.8
97.06525	6.9
97.10146	8.9
99.04407	9.2
105.07021	100.0
107.04971	16.3
107.08593	48.8
109.02885	5.1
109.06500	10.0
109.10143	30.4
111.04447	6.1
111.08071	5.8
115.69550	4.3
117.07003	46.5
119.08580	67.5
121.06522	14.7
121.10126	34.6
123.04464	5.0
123.08071	10.3
123.11758	9.9
127.03901	4.9
128.06224	10.0
129.07018	38.5
131.08560	65.7
133.10129	50.3
135.08041	10.6
135.11678	25.4
137.05986	8.7
139.11119	5.9
141.06966	11.4
142.07784	6.7
142.37079	4.9
143.08540	29.2
145.10117	47.2
147.08017	7.1
147.11688	35.4
149.09605	8.8
149.13257	15.6
154.07724	5.6
155.08536	12.8
155.59171	4.6
157.10120	21.8
159.08089	6.2
159.11694	44.3
159.50246	4.4
161.13239	20.8
163.11230	4.6
167.08545	7.2
169.10187	11.0
171.07990	5.1
171.11679	25.3
173.11993	5.9
173.13240	31.0
175.11198	12.1
175.14778	5.4
181.10110	5.8
183.11681	12.0
185.09631	4.8
185.13255	18.4
187.14835	11.6
189.12704	5.5
195.11633	5.6
197.13289	14.5
199.11133	6.3
199.14781	12.5
201.12637	5.4
211.14854	5.5
213.16463	6.9
229.16071	5.8
231.21071	5.6
239.18033	6.4
241.19455	12.8
253.19466	6.9
257.19107	24.1
259.20496	34.8
271.20639	9.3
273.22229	7.8
275.20013	15.4
283.20691	6.2
287.20132	7.8
301.21609	29.5
311.20038	5.5
313.21628	6.4
319.22626	7.5
325.21594	5.4
329.21039	28.2
349.21686	5.5
367.22415	21.7
385.23651	34.2
403.24780	50.3
421.25833	64.2
421.34464	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	421.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
53.55462	1.8
55.01860	7.3
55.05506	25.5
57.03417	6.0
57.07061	8.0
65.03924	3.9
66.40875	2.0
67.05496	66.3
69.03436	10.2
69.07060	35.4
71.01344	2.3
71.04984	6.4
71.58220	2.8
73.02897	2.4
77.03905	2.6
79.05484	36.6
81.03399	11.5
81.07047	79.2
81.80848	2.1
83.04976	6.8
83.08598	13.5
85.02894	4.1
85.06544	2.3
91.05470	56.4
91.06013	3.8
92.81316	1.9
93.07033	68.0
95.04967	14.0
95.08598	100.0
96.51879	2.6
97.02882	15.8
97.06519	4.1
97.10149	8.6
99.04433	9.2
103.05441	3.3
105.04555	2.1
105.07024	65.2
107.04965	9.2
107.08579	66.5
109.02872	6.1
109.06509	7.4
109.10142	46.8
111.04450	2.7
111.08104	4.7
111.11705	3.6
115.05446	6.1
117.07008	20.4
119.07692	3.8
119.08562	78.1
119.61029	2.3
121.06507	6.3
121.10132	46.5
123.04433	2.1
123.08057	21.5
123.11697	25.4
125.09644	2.3
127.03908	12.2
128.06215	5.2
129.06938	12.6
130.07846	3.7
131.08551	38.7
133.06442	2.2
133.10114	55.8
135.08047	8.2
135.11676	32.5
137.06035	2.1
137.09584	5.8
137.13243	16.6
141.06989	3.8
142.07790	8.6
143.08542	22.1
144.09340	3.0
145.04903	1.9
145.10100	44.9
147.07990	4.9
147.11673	38.6
149.09633	5.1
149.13237	24.0
151.11217	3.3
151.14796	3.2
155.08568	8.3
156.09343	6.5
157.10089	31.2
158.10922	4.5
159.08064	4.0
159.11668	45.0
159.12868	3.7
161.09608	5.5
161.13223	24.2
163.11122	4.3
163.14857	13.6
169.10059	9.7
171.11693	21.7
173.09589	3.0
173.13252	31.9
175.11194	7.1
175.14818	16.2
175.53122	1.9
177.12785	11.8
177.16301	9.6
181.10103	4.5
182.10954	2.5
183.11716	10.5
184.12379	2.9
184.25879	2.1
185.13235	17.5
187.11223	3.9
187.14819	24.2
189.12726	3.2
189.16360	19.2
191.14268	8.3
191.17926	15.7
195.11688	7.1
197.13275	8.6
199.11198	3.1
199.14828	13.6
201.12747	5.9
201.16377	15.6
203.14243	10.8
203.17906	17.9
205.15894	2.9
205.19493	2.6
209.13269	4.1
211.14857	8.4
213.16403	16.2
215.14362	7.2
215.17961	10.4
217.15800	11.0
217.19511	9.4
223.11061	2.7
223.14859	3.8
225.16357	5.1
227.17981	5.9
229.15948	4.4
229.19540	4.7
231.17462	17.8
231.21092	6.9
239.17883	6.0
241.15874	3.1
241.19444	9.8
243.17432	7.0
243.21036	4.2
251.17873	3.3
253.19347	3.2
255.17471	4.7
255.20909	3.5
257.19009	7.9
259.20547	22.4
267.21024	4.8
269.19052	5.7
269.22461	2.3
271.20660	4.8
277.21655	6.6
283.20566	7.5
297.22079	2.7
311.20334	3.4
329.21112	9.4
355.22699	4.9
359.76978	2.2
385.23676	6.0
393.34967	5.0
403.24933	12.3
403.33505	11.2
409.59265	2.1
421.25943	20.6
421.34628	82.7
427.80893	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	421.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05509	55.6
56.96550	6.7
57.03432	5.8
61.02916	7.8
67.05501	36.5
68.05821	3.6
69.03421	8.5
69.07066	16.6
70.14417	9.5
72.04519	3.9
72.44677	2.9
73.02913	5.7
79.05481	28.4
81.03408	6.0
81.07052	33.7
83.04978	8.0
83.08617	28.8
85.02896	9.0
86.42413	2.9
91.03909	3.6
91.05475	25.9
93.07036	22.5
94.06567	15.6
95.04948	9.0
95.08586	23.4
97.02831	3.9
97.10160	40.4
98.21487	3.8
99.42546	3.2
103.19658	2.9
105.07032	20.0
106.06564	7.5
107.04942	6.3
107.08575	20.6
108.08083	3.7
109.06500	4.1
109.10171	21.6
109.10796	4.1
115.05482	3.2
116.98582	3.8
117.06998	8.2
118.06521	4.5
119.08559	19.2
120.08113	5.5
121.10131	11.5
123.08008	4.5
123.11681	3.2
125.09600	19.7
128.06201	2.9
129.06976	6.0
130.06497	4.8
131.07304	4.9
131.08568	11.2
132.08073	10.2
133.06419	3.5
133.10110	10.7
134.06000	3.2
134.09615	21.8
135.08038	4.9
135.10483	3.2
135.11670	7.9
136.11218	11.2
137.96460	3.1
143.08562	6.7
144.08043	5.6
145.10124	8.9
146.06004	10.7
146.09592	15.7
147.06793	5.8
147.11665	4.6
148.07584	5.0
148.11203	18.9
149.09520	3.7
157.10123	4.1
159.08066	3.7
159.11652	11.5
160.11185	13.3
161.09578	4.3
161.13225	4.6
162.09120	5.8
162.12834	4.5
165.86105	3.5
169.10226	3.9
171.10223	3.0
171.11665	5.8
172.07550	7.7
173.11815	4.0
173.13191	6.1
174.09140	6.7
175.14786	3.4
178.05029	5.2
181.77338	3.5
186.09218	4.7
187.12404	3.4
187.14850	3.6
188.10689	56.0
189.11137	5.0
192.06488	20.8
192.10181	4.3
193.12291	4.7
197.13257	3.5
199.14763	3.5
205.13370	4.4
216.10196	7.4
218.08200	3.7
232.09653	22.4
233.12872	12.6
234.11224	16.4
251.13910	31.9
270.14850	9.6
270.94437	3.2
288.19501	8.0
306.20752	14.6
311.20520	3.9
316.15561	5.8
316.18927	24.8
322.17966	3.5
329.21097	8.9
331.14792	3.8
340.15231	6.3
340.19028	46.9
340.65448	4.0
357.21490	4.1
358.20099	63.0
359.20169	3.1
362.15869	9.9
368.18799	6.4
375.22842	39.9
376.21170	5.8
379.06207	3.5
385.20938	5.2
386.19611	22.2
403.21985	21.4
404.20697	9.7
421.23074	100.0
421.34439	10.2
422.23352	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	421.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05509	55.6
56.96550	6.7
57.03432	5.8
61.02916	7.8
67.05501	36.5
68.05821	3.6
69.03421	8.5
69.07066	16.6
70.14417	9.5
72.04519	3.9
72.44677	2.9
73.02913	5.7
79.05481	28.4
81.03408	6.0
81.07052	33.7
83.04978	8.0
83.08617	28.8
85.02896	9.0
86.42413	2.9
91.03909	3.6
91.05475	25.9
93.07036	22.5
94.06567	15.6
95.04948	9.0
95.08586	23.4
97.02831	3.9
97.10160	40.4
98.21487	3.8
99.42546	3.2
103.19658	2.9
105.07032	20.0
106.06564	7.5
107.04942	6.3
107.08575	20.6
108.08083	3.7
109.06500	4.1
109.10171	21.6
109.10796	4.1
115.05482	3.2
116.98582	3.8
117.06998	8.2
118.06521	4.5
119.08559	19.2
120.08113	5.5
121.10131	11.5
123.08008	4.5
123.11681	3.2
125.09600	19.7
128.06201	2.9
129.06976	6.0
130.06497	4.8
131.07304	4.9
131.08568	11.2
132.08073	10.2
133.06419	3.5
133.10110	10.7
134.06000	3.2
134.09615	21.8
135.08038	4.9
135.10483	3.2
135.11670	7.9
136.11218	11.2
137.96460	3.1
143.08562	6.7
144.08043	5.6
145.10124	8.9
146.06004	10.7
146.09592	15.7
147.06793	5.8
147.11665	4.6
148.07584	5.0
148.11203	18.9
149.09520	3.7
157.10123	4.1
159.08066	3.7
159.11652	11.5
160.11185	13.3
161.09578	4.3
161.13225	4.6
162.09120	5.8
162.12834	4.5
165.86105	3.5
169.10226	3.9
171.10223	3.0
171.11665	5.8
172.07550	7.7
173.11815	4.0
173.13191	6.1
174.09140	6.7
175.14786	3.4
178.05029	5.2
181.77338	3.5
186.09218	4.7
187.12404	3.4
187.14850	3.6
188.10689	56.0
189.11137	5.0
192.06488	20.8
192.10181	4.3
193.12291	4.7
197.13257	3.5
199.14763	3.5
205.13370	4.4
216.10196	7.4
218.08200	3.7
232.09653	22.4
233.12872	12.6
234.11224	16.4
251.13910	31.9
270.14850	9.6
270.94437	3.2
288.19501	8.0
306.20752	14.6
311.20520	3.9
316.15561	5.8
316.18927	24.8
322.17966	3.5
329.21097	8.9
331.14792	3.8
340.15231	6.3
340.19028	46.9
340.65448	4.0
357.21490	4.1
358.20099	63.0
359.20169	3.1
362.15869	9.9
368.18799	6.4
375.22842	39.9
376.21170	5.8
379.06207	3.5
385.20938	5.2
386.19611	22.2
403.21985	21.4
404.20697	9.7
421.23074	100.0
421.34439	10.2
422.23352	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	421.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01859	1.6
55.05503	10.3
57.03415	2.5
57.07066	3.0
59.04984	1.5
61.56760	1.3
67.05483	6.1
69.03425	20.7
69.07070	9.9
70.06596	1.7
70.86506	2.9
70.86846	1.4
71.04993	2.4
71.08627	12.5
73.06550	10.1
73.38195	1.5
79.05489	8.3
81.03412	8.6
81.07052	17.0
83.04977	3.9
83.08600	6.2
85.02893	9.4
85.06513	2.7
86.09694	1.6
87.00830	3.3
89.84633	1.3
91.05469	10.2
93.07019	5.9
95.04945	3.0
95.08591	12.7
97.02880	6.4
97.10166	3.1
99.04453	3.1
99.08082	21.6
101.09656	2.1
105.01836	2.2
105.07016	12.6
107.04932	4.9
107.08585	27.3
109.02856	11.3
109.06513	3.9
109.10159	8.8
111.11687	2.0
115.05469	3.0
117.07023	4.7
119.08609	7.3
120.08124	1.9
121.06502	3.8
121.10127	14.6
122.07291	6.0
123.08071	2.3
127.03898	26.3
127.80238	1.5
129.12729	4.2
131.08566	4.3
133.10117	100.0
134.10472	1.6
135.08038	9.1
135.11674	1.7
137.05995	2.0
137.09598	59.4
137.13239	9.2
145.04930	2.9
145.10098	2.9
147.10484	1.3
147.11653	4.1
149.09653	3.6
149.13258	7.7
155.14272	14.1
157.10114	2.5
158.10803	1.3
159.11705	2.4
163.11125	1.6
163.14774	1.3
163.97530	1.4
171.11676	1.7
173.13258	7.8
173.15396	3.6
173.22113	1.2
191.14288	41.6
191.17929	1.3
213.03912	4.0
231.04958	7.8
301.15347	2.0
306.27414	1.8
335.18317	1.7
403.17911	1.7
421.19226	2.1
421.34900	1.9
442.18314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1339
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.02406	0.7
55.01849	0.6
57.03431	1.2
69.03439	3.6
69.22805	7.0
76.02230	2.2
81.04549	0.7
84.04487	1.1
85.02916	3.4
86.09650	0.7
87.04475	0.9
97.02898	2.3
97.06540	1.6
98.20609	1.1
109.02953	0.9
115.03931	1.4
125.07097	1.7
127.03915	100.0
128.04225	1.3
133.04951	1.5
133.93170	0.7
143.08165	1.1
162.02245	0.9
177.87640	0.8
179.04858	1.3
259.16483	3.0
289.09259	1.1
421.21509	1.4
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
53.03931	2.8
55.01864	3.8
55.05503	2.2
56.24805	0.9
57.03431	2.2
57.07073	2.4
61.02919	2.4
67.05501	6.4
69.03423	11.1
69.07072	5.3
70.20213	4.1
71.04998	1.5
73.02898	2.5
77.19437	0.8
79.05489	10.0
81.03410	8.3
81.07050	100.0
81.30373	0.9
81.78821	0.8
82.07394	2.2
83.08612	1.4
84.55639	0.9
85.02898	30.2
85.06538	1.3
87.00826	13.5
91.05486	2.0
93.07043	2.5
95.04965	1.9
95.07990	1.5
95.08596	22.3
97.02888	13.0
99.04430	4.3
103.63739	0.9
105.01854	14.7
105.07021	2.8
107.08594	3.2
108.04490	1.2
109.02865	8.5
109.10143	2.2
111.08057	1.8
115.03896	1.2
119.08570	2.3
121.06545	1.0
121.10144	1.4
121.80260	0.9
125.56751	1.0
126.05516	1.0
127.03905	20.7
129.01865	1.2
132.59401	1.0
133.10083	1.3
135.11717	1.6
137.13252	20.3
145.04942	10.5
147.08112	0.8
147.11629	1.2
149.09586	1.0
149.13254	1.1
153.09125	1.5
153.12727	1.1
155.14345	2.0
159.02893	6.1
159.08113	1.0
159.11607	1.1
165.12744	1.2
174.65657	0.9
189.03979	1.6
190.27943	1.0
195.10182	2.7
223.79788	0.8
231.04953	4.6
248.07613	1.0
249.06154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81467	4.1
67.07464	4.2
68.15848	4.9
69.03419	5.4
70.06568	8.4
70.62908	14.5
71.97031	4.1
85.02914	9.8
86.09687	5.6
91.05494	7.1
93.07065	9.6
95.04961	5.4
95.08577	4.1
99.04462	7.1
105.07030	19.0
107.08606	12.3
109.06514	9.7
117.32763	4.4
119.08578	20.1
121.10136	4.8
123.08087	4.6
131.08578	9.0
133.10092	5.6
135.08046	55.3
135.11752	4.8
137.09621	8.3
145.10109	13.8
147.08012	10.7
159.11697	14.7
163.11127	12.7
165.09088	8.4
175.11179	64.7
177.12784	12.7
187.11203	17.1
193.12167	6.6
205.12222	39.7
223.13274	100.0
241.14317	16.2
345.17319	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	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05508	3.1
57.03424	3.2
57.07069	3.5
64.22411	2.6
67.05491	10.0
69.07066	5.4
69.46847	2.3
70.06599	2.9
71.57684	4.9
74.57929	2.5
79.05478	14.1
81.03408	4.4
81.07049	100.0
85.02902	8.4
87.00812	2.5
91.05459	2.3
93.07041	5.6
95.04994	3.7
95.08601	23.1
97.02895	7.2
105.01865	9.9
105.07038	4.9
107.08592	3.0
109.10159	3.5
109.33662	2.8
119.08533	5.7
123.04396	5.1
127.03923	10.6
131.08528	3.2
137.13246	24.8
145.04973	5.8
147.11636	3.0
164.86629	2.6
165.44070	2.5
171.08043	2.6
322.13345	2.8
391.45465	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	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07829	0.8
60.04508	1.3
61.02928	1.0
67.05493	1.1
69.03407	1.3
70.06573	2.7
70.84589	1.9
70.84935	0.7
71.04969	0.7
71.94557	0.9
79.05473	1.5
81.03407	0.8
81.07066	1.3
84.04491	1.9
84.08128	0.8
85.02901	7.7
91.05463	2.1
93.07025	1.1
95.04974	0.8
95.08601	1.7
97.02878	1.2
99.04473	0.8
105.07027	16.0
107.08616	1.1
109.02831	1.4
117.07045	0.8
119.08573	48.5
120.08098	2.3
121.06544	0.8
121.10095	0.8
123.08072	0.8
127.03905	1.3
131.08533	3.6
133.10046	0.9
135.11684	1.3
136.06192	0.8
136.07542	1.2
137.05956	1.4
140.10703	1.2
144.09372	1.0
149.05960	0.8
159.11682	100.0
160.12009	2.1
161.13206	2.9
175.40245	0.7
177.12720	8.5
179.10675	1.3
195.13765	4.0
197.11742	1.5
205.12218	26.6
223.13277	7.6
241.14368	2.5
243.08778	1.8
244.09595	2.8
290.67148	0.8
378.15326	1.1
402.25150	1.3
418.83362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05508	3.1
57.03424	3.2
57.07069	3.5
64.22411	2.6
67.05491	10.0
69.07066	5.4
69.46847	2.3
70.06599	2.9
71.57684	4.9
74.57929	2.5
79.05478	14.1
81.03408	4.4
81.07049	100.0
85.02902	8.4
87.00812	2.5
91.05459	2.3
93.07041	5.6
95.04994	3.7
95.08601	23.1
97.02895	7.2
105.01865	9.9
105.07038	4.9
107.08592	3.0
109.10159	3.5
109.33662	2.8
119.08533	5.7
123.04396	5.1
127.03923	10.6
131.08528	3.2
137.13246	24.8
145.04973	5.8
147.11636	3.0
164.86629	2.6
165.44070	2.5
171.08043	2.6
322.13345	2.8
391.45465	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	420.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
56.05032	3.4
58.99589	8.9
60.04544	1.3
67.05502	3.2
69.03413	1.8
70.02950	1.9
70.06586	2.0
71.04999	9.1
71.56543	2.5
72.08143	3.7
74.00669	23.3
74.06081	2.2
76.02231	25.5
76.04010	5.2
79.05505	1.8
83.06112	3.7
84.04504	43.9
85.01141	2.6
85.02905	3.0
85.04025	22.3
85.73145	1.7
86.09700	8.3
86.99070	2.6
87.10048	2.7
88.26592	1.6
91.05465	2.2
92.01686	10.2
93.07043	2.1
95.04964	7.7
107.08645	2.2
112.03981	4.0
113.03498	8.3
113.05994	18.3
116.01691	12.5
125.04240	1.6
127.05786	1.7
129.06590	3.0
130.05005	27.8
131.04521	16.9
135.08058	3.7
135.81042	1.3
137.05963	2.2
140.01672	3.9
142.03227	6.1
142.06883	1.3
144.01195	8.2
145.06093	4.9
147.04430	2.2
149.05893	1.6
159.02219	2.6
160.00641	2.9
162.02216	30.5
170.02742	2.3
170.06245	2.8
171.04805	2.1
173.12854	3.9
174.13185	2.7
177.03287	100.0
179.04858	23.7
185.03790	4.8
187.05438	2.0
188.07419	15.5
201.12355	2.1
202.12726	2.5
205.12328	1.7
207.03300	1.5
219.13393	2.4
220.13785	1.7
231.04349	10.7
233.05925	6.3
243.04424	6.0
245.05930	2.3
256.06461	3.3
273.09152	2.3
274.07297	2.1
288.06345	2.1
289.04846	3.0
291.10016	20.8
306.07443	2.0
343.75452	1.4
345.11166	14.8
357.11224	2.5
391.91647	1.3
403.11758	2.6
420.14487	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	419.191
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
51.02375	2.4
53.03937	11.7
55.01866	15.0
55.05498	7.7
56.42525	1.9
57.03431	11.7
57.07078	23.5
59.04989	13.7
61.02919	4.8
67.05492	15.5
68.74115	1.6
68.99777	4.0
69.03425	47.6
69.07058	16.9
70.06586	3.9
70.56081	4.6
71.04994	10.0
72.08134	2.9
73.02924	11.9
73.06508	2.0
73.49632	1.7
78.14194	1.7
79.05484	6.4
81.03415	52.8
81.07064	11.4
83.04967	3.4
83.08593	3.4
84.04493	2.3
85.02898	92.0
85.06540	10.8
86.09701	2.9
87.00824	35.7
91.03959	1.9
91.05466	4.6
93.07058	10.8
95.04953	5.7
95.08601	75.0
97.02881	27.1
97.06526	9.4
99.04440	18.1
99.08102	16.6
105.01865	22.2
105.07018	3.8
107.04944	11.0
107.08578	14.2
109.02879	40.6
109.06535	10.1
109.10157	19.2
111.08076	13.5
111.11704	3.5
113.02350	3.3
113.09639	55.4
114.10022	2.2
115.03924	3.5
117.01842	6.4
120.08096	2.5
123.04430	4.3
125.06063	2.4
127.03913	58.4
127.04818	4.1
127.11170	9.9
129.01854	6.9
133.10141	2.9
135.08060	2.7
135.11658	17.6
136.06158	2.3
137.13219	10.1
139.03842	2.3
145.04968	22.9
147.02914	3.1
147.04382	2.4
151.11174	2.3
153.12735	100.0
154.13042	3.9
155.14308	24.3
159.02879	24.1
167.07065	4.9
168.07361	3.7
169.12267	4.6
171.13805	17.0
181.04976	4.5
186.45335	2.0
191.05486	4.6
197.37929	2.1
211.13377	1.9
213.03989	2.3
213.14871	3.3
231.04999	10.4
241.03351	1.8
287.05548	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	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.8
55.01878	16.6
55.05508	2.5
57.03430	6.8
60.04514	2.8
61.02919	12.5
65.03931	5.5
67.05503	4.0
68.99792	12.2
69.03428	39.2
69.07066	4.0
70.06603	12.1
70.48049	4.7
70.48440	3.8
71.04996	7.3
72.08144	15.1
72.83173	2.5
73.02913	10.7
74.00669	4.7
74.06093	5.6
76.02235	3.1
79.05494	5.1
79.97227	2.6
81.03419	41.6
83.04970	3.6
84.04513	10.9
84.08138	3.1
85.02907	100.0
85.04026	5.1
86.09706	23.6
87.00829	37.6
91.03957	4.5
91.05495	3.2
95.04968	6.3
97.02898	39.7
99.04446	15.1
102.05514	2.9
103.03934	5.8
103.05463	3.1
105.01875	26.3
105.07082	2.7
107.04951	27.1
109.02879	37.1
111.04430	27.8
113.05997	3.3
114.12526	2.4
115.04015	3.3
116.60468	2.3
117.01826	7.9
121.04011	2.4
121.06501	4.7
125.06007	6.5
127.03920	61.2
127.04817	4.7
128.10735	2.5
129.01834	11.6
130.05035	4.1
135.04433	10.0
139.03897	45.2
139.04898	3.7
145.04974	23.3
147.02898	6.1
147.04376	6.1
153.05496	6.1
159.02907	24.4
162.02330	2.9
163.03918	36.1
167.37170	2.3
171.06519	46.1
173.05977	3.3
173.12877	12.4
177.03331	10.8
177.05495	7.3
180.04170	2.6
181.04973	10.9
183.06473	3.6
189.03963	3.3
192.04231	3.7
195.06506	29.1
201.12404	8.0
207.06563	6.2
213.07581	21.7
219.13347	5.9
222.05315	8.3
231.04959	8.2
233.08119	7.7
237.07619	16.6
247.04749	2.9
261.07581	16.1
279.08643	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.9
55.01855	16.1
55.64097	5.1
57.03421	9.5
60.04515	10.5
65.03931	7.2
68.99783	10.5
69.03435	29.6
69.87206	28.7
70.06586	13.9
71.05000	10.5
71.08612	5.9
72.08141	24.2
73.02901	15.9
74.06062	12.6
81.03022	6.5
81.03414	49.1
84.04497	14.5
84.08105	5.9
85.02904	100.0
86.09694	28.0
86.10838	6.7
87.00819	38.7
93.85625	5.9
95.04965	8.4
97.02892	40.7
98.20823	11.3
99.04436	19.4
105.01841	21.4
107.04930	28.0
109.02878	29.8
111.04436	21.6
127.03920	57.9
129.01834	10.1
130.04990	6.4
139.03923	39.4
145.04945	20.3
146.03593	5.5
149.02319	9.1
159.02910	24.2
163.03880	26.1
171.06485	49.1
173.12860	10.2
177.03276	21.8
181.04878	13.3
189.03854	8.1
195.06581	29.7
207.06480	6.8
213.07564	23.0
231.04851	7.7
237.07581	15.1
248.79716	6.7
261.07523	9.9
279.08621	20.2
284.60291	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	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01867	1.2
55.05495	1.0
57.03430	4.4
61.02901	3.2
67.05491	2.6
68.99776	1.3
69.03413	2.8
69.07058	1.7
70.06591	1.4
71.04989	0.9
71.36839	1.6
71.37196	0.8
73.02911	13.1
74.06056	0.9
79.05463	2.4
81.03397	2.2
81.07062	4.6
83.04970	1.3
83.08591	0.7
84.08140	0.9
85.02882	4.0
85.06561	1.0
86.09686	1.4
87.05597	1.0
91.05463	2.1
93.07059	1.8
95.04945	1.2
95.08602	1.7
97.02872	1.8
97.06500	0.8
99.04444	1.2
103.05467	1.6
105.01808	0.9
105.07010	2.5
107.04938	2.6
107.08598	1.7
109.02867	1.4
109.06510	0.8
109.10136	1.3
115.03876	0.8
119.04936	1.6
119.08562	1.9
121.02835	4.5
121.10152	1.0
123.04429	0.9
123.07986	0.9
124.90826	0.6
124.98621	0.8
127.03886	1.9
130.05017	0.8
131.04855	0.7
133.02844	0.9
137.02306	0.9
137.05978	4.2
145.06491	1.0
147.03374	0.6
147.04399	3.2
147.11673	1.9
149.02316	0.8
151.03928	1.7
153.01881	5.1
160.07445	1.1
165.01782	2.1
165.12718	0.8
167.07069	2.2
169.07619	1.2
173.05847	1.2
177.05482	1.0
181.04942	2.0
183.02867	1.0
185.06004	0.8
191.07033	1.4
213.05495	1.5
218.15222	0.8
239.16542	1.4
257.17471	0.9
258.05215	1.4
267.09671	1.5
287.05487	100.0
288.05850	2.2
290.20978	3.4
295.12784	1.3
299.05466	3.6
303.40469	0.7
305.30792	0.7
311.05508	1.0
313.07001	0.9
317.77347	0.7
328.02072	0.7
329.06458	3.1
353.06516	1.5
365.06314	1.0
383.07529	3.4
401.08459	1.7
419.09586	1.4
419.21564	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	419.0971
Annotation	Juglanin
Peak:m/z	Relative Intensity
53.03917	0.7
55.01867	1.2
55.05495	1.0
57.03430	4.4
61.02901	3.2
67.05491	2.6
68.99776	1.3
69.03413	2.8
69.07058	1.7
70.06591	1.4
71.04989	0.9
71.36839	1.6
71.37196	0.8
73.02911	13.1
74.06056	0.9
79.05463	2.4
81.03397	2.2
81.07062	4.6
83.04970	1.3
83.08591	0.7
84.08140	0.9
85.02882	4.0
85.06561	1.0
86.09686	1.4
87.05597	1.0
91.05463	2.1
93.07059	1.8
95.04945	1.2
95.08602	1.7
97.02872	1.8
97.06500	0.8
99.04444	1.2
103.05467	1.6
105.01808	0.9
105.07010	2.5
107.04938	2.6
107.08598	1.7
109.02867	1.4
109.06510	0.8
109.10136	1.3
115.03876	0.8
119.04936	1.6
119.08562	1.9
121.02835	4.5
121.10152	1.0
123.04429	0.9
123.07986	0.9
124.90826	0.6
124.98621	0.8
127.03886	1.9
130.05017	0.8
131.04855	0.7
133.02844	0.9
137.02306	0.9
137.05978	4.2
145.06491	1.0
147.03374	0.6
147.04399	3.2
147.11673	1.9
149.02316	0.8
151.03928	1.7
153.01881	5.1
160.07445	1.1
165.01782	2.1
165.12718	0.8
167.07069	2.2
169.07619	1.2
173.05847	1.2
177.05482	1.0
181.04942	2.0
183.02867	1.0
185.06004	0.8
191.07033	1.4
213.05495	1.5
218.15222	0.8
239.16542	1.4
257.17471	0.9
258.05215	1.4
267.09671	1.5
287.05487	100.0
288.05850	2.2
290.20978	3.4
295.12784	1.3
299.05466	3.6
303.40469	0.7
305.30792	0.7
311.05508	1.0
313.07001	0.9
317.77347	0.7
328.02072	0.7
329.06458	3.1
353.06516	1.5
365.06314	1.0
383.07529	3.4
401.08459	1.7
419.09586	1.4
419.21564	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	419.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03591	0.6
53.68871	0.6
54.35973	0.6
61.15223	0.7
63.43740	0.7
65.02265	0.6
71.09427	0.8
71.09782	1.1
85.02911	1.0
94.93009	20.2
96.48031	0.6
96.92860	0.7
97.93608	0.7
120.94579	2.0
136.94017	100.0
148.94014	32.8
166.95079	48.9
178.95074	3.0
196.96147	14.2
206.88622	1.0
208.97266	3.9
220.96236	1.1
238.97179	1.9
248.89656	10.0
256.98276	8.0
307.92929	0.7
315.73447	0.8
419.03384	8.1
420.08890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01863	5.7
55.05506	23.1
56.96558	2.8
57.03428	4.4
57.07060	6.9
65.03931	5.8
67.05502	52.5
68.76012	1.7
69.03439	13.1
69.07069	30.8
71.01343	14.0
71.04987	6.5
71.08637	5.0
74.28360	2.1
78.04683	2.8
79.05491	45.0
81.03416	25.6
81.07051	89.9
83.04970	6.6
83.08616	19.1
85.02917	13.0
85.06541	4.4
91.05470	40.4
93.07034	72.5
95.01311	4.0
95.04957	30.3
95.08601	100.0
97.02863	7.1
97.06541	7.0
97.10159	11.2
98.97589	3.0
99.04440	4.9
103.05453	5.4
105.07023	45.1
107.04950	8.7
107.08591	53.6
109.02847	5.6
109.06515	21.2
109.09460	3.8
109.10154	53.2
111.04441	20.5
111.08072	4.5
111.11724	3.0
115.05445	4.6
116.98629	2.7
117.07025	16.0
119.04896	3.0
119.08579	36.7
121.06478	15.2
121.10146	33.7
123.04420	33.4
123.08043	13.9
123.11707	19.1
124.07587	5.7
125.05964	2.4
125.09621	3.0
127.03854	3.2
128.06233	2.5
129.06941	3.1
130.07823	2.9
131.08540	17.5
133.06485	7.6
133.10126	32.8
134.99664	2.3
135.08038	13.5
135.11679	22.0
137.05975	40.9
137.09595	17.1
137.13257	5.1
141.06934	1.9
143.08542	8.6
145.06509	9.7
145.10106	20.5
147.08035	9.5
147.11694	19.7
149.09621	11.4
149.13242	18.5
151.07529	11.2
151.11191	7.1
152.03416	2.6
155.08626	2.4
155.10687	5.2
156.09331	1.9
157.10115	5.0
159.08069	7.3
159.11670	14.2
161.09576	12.3
161.13245	15.7
162.09151	2.5
163.07574	3.2
163.11182	7.0
163.14781	10.3
164.10645	5.0
165.09129	14.3
165.12756	3.9
166.04994	10.3
167.07039	83.0
168.07471	3.4
169.10211	3.9
171.11722	5.8
173.05963	11.9
173.09624	2.5
173.13249	9.6
175.11209	4.1
175.14861	7.9
176.03369	3.1
176.14308	2.2
177.09106	4.1
177.12764	8.2
177.16377	3.7
178.04988	3.2
179.10692	8.3
180.13882	8.4
181.04945	31.6
181.08554	3.1
182.05144	2.2
183.11723	3.2
185.13222	4.1
186.21201	2.0
187.11185	2.2
187.14786	5.4
189.12758	2.1
189.16394	3.5
191.07085	2.0
191.14302	2.4
193.12228	2.8
194.04428	2.7
199.08636	4.2
199.14867	3.4
201.16428	2.7
203.14305	4.8
204.13849	16.6
205.08569	4.0
205.15785	2.9
206.15411	24.3
208.17061	3.3
209.13261	2.5
212.09416	6.5
224.16492	4.5
225.11566	2.0
227.11815	7.1
228.10153	3.2
233.08028	5.6
235.09781	4.3
239.08069	2.4
240.08908	2.7
241.09779	2.3
242.10490	2.5
255.11267	6.8
257.09256	2.9
273.12402	4.0
283.10754	58.6
284.11169	4.2
287.10437	3.0
301.11841	54.4
301.15125	3.6
302.12323	2.6
313.25162	3.9
319.12860	31.2
320.13428	2.9
327.26825	2.4
329.11383	17.8
331.26297	2.4
337.25497	2.4
339.26801	2.8
345.28058	3.9
351.26550	2.4
353.28564	2.5
355.26236	5.0
357.27914	3.7
369.27798	4.3
371.19678	3.7
371.29523	4.0
373.27341	7.6
381.27795	13.1
387.14340	8.9
387.28918	12.1
393.18024	2.5
399.19278	18.6
399.28894	45.0
400.19437	2.7
400.24445	2.1
417.15256	17.5
417.20401	5.3
417.30005	91.6
418.15643	2.6
418.30307	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	417.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91417	5.8
53.03937	5.6
55.05511	12.7
57.07042	6.5
67.05511	35.5
69.07052	23.6
69.83676	33.6
71.04985	10.1
79.05513	34.4
81.03390	4.7
81.07057	49.7
83.05038	4.9
83.08611	9.6
85.06527	7.5
91.05467	45.6
93.07033	55.3
95.04982	14.8
95.08607	40.1
98.98488	5.1
103.05436	6.6
105.07028	100.0
107.07962	6.1
107.08599	59.0
109.06524	91.6
109.10145	38.6
111.08080	6.7
113.00037	6.5
117.06999	25.0
119.08572	83.3
121.10128	71.0
123.08038	15.6
123.11724	16.3
128.06177	15.1
129.07004	18.4
131.08571	50.4
133.10132	92.1
135.08037	20.0
135.11673	41.5
137.09584	5.2
138.21333	5.3
141.06924	12.7
142.07748	22.5
143.08537	51.8
145.10117	50.7
147.08002	23.8
147.11700	28.0
149.09607	19.2
149.13298	7.7
153.06953	5.6
154.07695	9.0
155.08536	24.2
156.09315	10.3
157.10118	69.7
159.08037	18.1
159.11684	29.8
161.09653	30.0
161.13251	7.1
167.07086	11.3
167.08562	17.6
168.09261	8.9
169.02631	9.7
169.10150	28.8
170.10873	6.2
171.11679	37.8
173.09610	19.2
173.13280	48.4
175.11168	11.1
175.14772	15.9
179.08522	18.5
180.09351	10.5
181.10081	20.2
182.10938	7.9
183.11656	31.5
185.09607	17.1
185.13255	23.0
187.11188	15.9
187.14816	33.2
191.08392	5.5
192.09285	10.4
193.10121	21.1
194.10931	13.3
195.11690	39.4
197.09666	6.2
197.13283	29.4
199.11169	23.0
199.14787	18.0
201.12659	8.7
201.16411	8.2
203.10544	6.2
206.10863	11.7
207.11655	22.2
208.12338	12.1
209.13214	23.7
211.11197	6.8
211.14807	17.8
213.12769	10.8
213.16382	16.4
219.11621	7.7
220.12431	9.9
221.13203	20.0
223.14816	11.0
225.12709	11.7
225.16319	12.4
227.14281	7.3
231.11555	9.9
233.13206	18.1
234.13957	6.3
235.14786	19.3
236.15541	6.0
237.12791	8.9
237.16353	12.2
239.17891	7.6
243.11592	7.9
243.13838	7.9
245.13199	10.7
247.14859	7.7
249.16449	12.8
253.16118	5.8
259.14709	12.9
261.16385	9.0
265.15640	6.8
272.28195	6.1
277.15958	13.2
277.19327	6.3
279.17487	7.7
281.18811	12.1
293.18692	7.7
295.17075	10.6
301.19461	13.8
317.22757	9.5
343.20538	7.1
357.25711	15.4
359.23630	22.1
375.26706	14.7
389.40039	5.9
399.26791	35.5
417.27783	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14085	0.7
53.03929	0.9
53.61701	0.7
55.05497	1.3
57.03432	1.1
58.31929	0.6
65.03928	1.2
67.05495	1.7
69.07039	0.9
70.71480	0.6
70.76183	1.2
76.75574	0.6
77.19035	0.6
79.05462	3.6
81.03429	0.9
81.07053	10.5
81.87710	0.7
84.37426	0.7
85.02886	0.7
91.05462	1.1
92.05002	0.8
92.47901	0.7
93.07030	1.2
94.06557	0.8
95.08627	1.2
96.08100	1.2
96.25719	0.7
105.06995	1.1
106.06523	0.9
107.04918	1.2
107.08569	2.8
108.04485	0.8
108.08063	1.2
115.05465	1.1
117.07004	1.6
121.10140	0.6
123.04443	1.3
124.05302	1.0
124.07558	3.8
131.04968	0.9
135.11646	1.0
136.07608	1.4
138.09103	1.5
145.06483	2.1
150.05447	0.7
152.03415	2.1
152.07062	1.4
155.06111	0.7
162.09169	2.0
164.10712	3.5
166.04994	9.5
167.07043	22.7
168.06393	0.7
171.06667	0.9
171.09180	1.6
172.11208	1.0
173.05959	3.3
176.03453	3.5
178.04948	1.1
178.12321	1.2
180.13829	1.7
181.04936	8.9
182.04506	0.7
183.09198	0.8
191.07037	1.6
194.04424	1.6
197.07054	0.9
198.07829	3.0
199.08566	4.4
199.12260	1.0
200.10786	3.2
204.13831	5.8
205.08553	1.1
206.15393	9.9
208.16920	1.5
209.10742	2.0
211.08664	1.6
211.12308	1.4
212.09352	9.4
212.10973	0.7
213.10170	2.1
222.14876	3.9
225.10231	0.9
226.07373	1.2
226.10988	1.7
227.08127	2.5
227.11792	7.6
228.10310	3.9
228.12212	1.1
229.10033	0.8
229.13344	0.8
233.08034	1.9
235.09546	1.0
237.10234	2.7
239.08162	2.2
240.08887	3.9
241.09792	3.3
242.10384	1.8
243.07626	0.7
244.08392	3.2
253.09671	1.3
255.08032	1.1
255.11238	11.1
257.09244	8.7
257.12833	1.9
265.09689	2.6
269.09201	1.4
270.09958	4.0
271.07141	0.9
272.11584	0.8
273.12384	3.0
283.10748	100.0
284.11038	3.5
285.08792	1.5
285.12314	1.5
286.09448	1.0
287.10239	6.8
288.11127	3.7
300.11069	1.4
301.11801	65.4
302.12085	2.2
319.12863	60.9
320.13110	1.9
329.11307	17.3
353.18576	1.6
357.18048	2.3
369.18060	0.9
371.19492	1.0
387.14496	3.8
399.19107	35.4
400.19431	2.1
417.15219	4.3
417.20175	14.4
418.15286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06685	0.7
53.03905	0.6
55.05475	1.0
55.57799	0.6
57.03373	1.7
59.65054	0.5
65.03867	1.5
67.05439	1.8
69.03373	1.0
69.07006	1.0
70.06532	0.5
70.29658	0.5
71.02207	1.3
78.04652	0.9
79.05489	4.6
81.03375	1.0
81.07057	6.7
82.06532	0.7
85.02876	0.7
85.08278	0.5
91.05407	2.0
92.04954	0.7
93.07049	3.2
95.04900	1.4
95.08569	1.3
96.08042	1.7
97.06473	1.1
99.08026	0.8
103.05384	0.7
105.06983	1.3
106.04113	0.6
106.06515	1.1
107.04864	2.1
107.08562	3.2
108.04394	0.7
108.08080	0.9
109.06451	0.6
109.10072	0.8
115.05383	1.3
117.06940	1.6
119.08599	1.1
121.10085	0.8
122.09602	0.5
123.04340	2.4
123.05131	0.5
124.05154	0.9
124.07585	4.7
126.06958	0.5
126.09119	0.6
129.06953	0.7
133.10054	0.6
134.09613	1.0
135.11617	0.9
136.07474	1.6
137.05884	0.6
138.09062	1.5
139.03868	0.6
145.06480	3.4
146.05890	0.6
150.05470	1.1
151.03821	0.6
152.03352	1.9
152.04509	0.8
152.07010	1.3
155.06007	0.9
162.09064	1.0
163.07468	0.7
164.10667	3.1
166.03723	1.0
166.04996	9.8
167.07036	30.8
168.06512	1.5
171.06561	0.6
171.09100	1.0
172.07472	0.6
173.05965	4.2
176.03386	2.4
176.14342	0.8
178.04897	0.8
180.13751	1.5
180.33054	0.6
181.04968	10.8
182.09583	0.9
183.09174	1.0
184.09839	1.7
191.06992	2.2
192.02864	0.8
193.06055	0.5
194.04437	1.7
195.06546	0.7
196.10040	0.6
198.07814	3.8
198.67191	0.5
199.08583	3.9
199.12192	1.0
200.10710	2.7
204.13837	7.1
205.08571	1.3
206.15398	10.0
208.17056	1.2
209.10707	1.6
210.04050	1.1
211.08734	2.9
211.12245	1.2
212.09441	9.0
213.06558	0.6
213.10161	2.2
214.10963	0.7
222.14978	3.8
225.06567	0.7
225.10278	1.3
226.07268	1.3
226.10896	1.3
227.08080	2.1
227.11784	9.3
228.10207	5.1
228.12137	1.0
229.09973	0.8
229.13254	0.9
233.08203	1.7
235.09607	0.8
237.10233	2.7
239.08110	2.4
240.08884	4.3
241.09709	3.8
242.10417	1.5
243.07700	1.0
244.08464	2.3
253.09705	2.0
255.07542	1.2
255.11310	10.7
257.09244	7.5
257.12772	2.0
258.09555	0.7
265.09668	2.9
269.09158	1.7
270.09973	4.3
271.10971	0.5
272.11459	0.8
273.12247	2.5
283.10757	100.0
284.11118	4.5
285.08884	1.0
285.12155	1.3
287.10275	7.8
288.11023	3.9
300.11014	1.0
301.11826	72.7
302.12201	2.9
319.12875	57.4
320.13309	1.6
329.11310	15.8
330.11563	1.0
353.18756	1.1
357.18195	2.4
371.19720	1.2
381.17896	0.8
387.14389	3.9
399.19144	33.5
400.19669	1.8
417.15375	5.8
417.20355	12.4
417.28876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50121	0.3
50.77591	0.2
53.03935	0.4
67.05499	1.5
69.75668	0.3
70.95321	0.6
70.95656	0.3
94.06561	6.1
103.76965	0.3
106.06546	2.6
118.43488	0.2
122.06019	5.7
125.06883	0.3
150.05490	100.0
151.05827	0.9
168.06551	34.0
169.06807	0.6
268.41656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70593	3.8
56.96564	49.2
57.10661	3.2
68.51321	3.3
71.55766	4.2
71.74957	3.5
71.95282	4.2
77.26782	3.4
98.97581	71.4
101.12968	3.8
116.98618	100.0
116.99448	4.9
117.98975	5.5
119.01924	10.2
125.10607	3.4
129.17123	4.0
134.99664	98.9
136.99187	4.1
137.02954	12.6
153.00688	24.1
158.01247	7.0
177.00960	19.5
179.00633	5.6
202.83102	3.8
219.01973	17.9
221.01715	5.8
226.23061	3.9
232.96565	4.3
234.99973	5.6
243.02037	4.4
256.96558	8.3
259.00021	4.4
261.03088	47.0
262.03253	20.6
263.02859	16.2
272.94427	5.9
274.97549	40.1
276.97437	17.9
277.00964	10.6
279.00760	4.9
288.92023	10.8
292.98703	31.7
294.98486	17.6
299.99762	4.7
301.01035	8.1
302.01254	6.3
306.93292	5.5
317.80063	4.3
318.98895	4.7
334.96289	8.3
354.93591	6.6
369.64938	4.0
372.94421	20.0
392.96774	6.0
406.88019	4.3
410.89014	13.9
412.92163	4.6
428.90082	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17473	0.4
56.05021	1.4
58.06598	100.0
67.05492	0.5
69.07051	1.8
69.39938	4.1
71.94242	0.4
75.43152	0.4
79.05491	1.1
81.03390	0.5
81.07046	1.3
86.06082	0.4
86.09705	7.0
91.05468	9.9
93.07033	0.8
95.08575	0.7
97.06519	0.5
97.07601	0.5
98.09714	0.7
98.21489	0.9
105.06993	1.0
107.08578	0.6
111.05506	0.5
113.07123	1.3
114.09144	1.7
115.05438	0.9
115.08666	1.7
117.05731	0.9
119.08604	0.6
120.08080	0.4
125.05990	0.7
125.07088	0.8
129.07008	0.9
130.06512	1.5
132.08087	20.8
137.06004	0.5
143.08235	0.4
144.08096	0.8
146.09676	3.1
160.07532	1.0
171.09184	1.3
171.14923	14.2
173.10785	0.5
184.99359	0.5
188.07066	2.8
188.11859	1.2
189.10222	10.9
198.10199	0.5
199.14429	6.5
200.11833	1.2
210.15956	2.2
217.07774	0.6
217.09741	8.5
223.60457	0.4
238.15459	5.1
239.15512	1.7
256.18066	16.3
284.17505	1.3
301.15460	1.2
302.15021	7.8
302.18439	1.0
312.17047	24.0
313.03128	0.5
313.17206	0.6
327.17017	1.4
330.18094	7.8
358.21271	6.4
387.24014	0.7
397.22018	0.6
415.18527	0.7
415.23462	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	415.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95621	1.6
56.96563	24.4
58.06595	3.8
63.37212	1.8
67.05507	3.5
68.10352	1.8
69.03423	2.5
69.07062	3.9
69.50365	7.7
69.50794	7.9
78.64230	1.7
81.07038	5.0
84.96040	11.9
85.36118	1.9
93.06998	2.8
95.08614	4.1
97.96809	2.5
98.97572	57.9
102.97042	2.0
105.07001	3.3
107.08591	2.7
109.02880	2.0
109.10160	2.6
110.97562	10.8
111.08050	2.0
112.99122	3.6
115.97829	3.3
116.98621	51.1
119.04932	1.7
119.08534	2.2
123.11692	2.0
128.98592	18.5
131.00182	5.5
133.10136	3.7
134.99648	32.3
140.00133	3.0
142.91228	1.7
143.00128	4.4
144.98099	3.2
146.99641	19.1
149.01236	6.7
152.98613	3.8
153.00684	2.6
153.01831	2.9
157.10196	1.9
158.99652	15.2
161.01213	10.5
161.02812	2.2
162.99133	6.8
165.00694	3.7
165.41397	1.7
170.99637	8.0
173.01236	3.5
177.00696	20.6
179.02348	2.9
189.00662	7.0
191.02309	3.3
195.01727	2.8
219.01700	16.8
230.97853	2.2
237.02779	37.5
255.04005	2.7
287.11584	2.3
329.12579	14.9
339.08826	1.9
347.13739	100.0
348.14233	3.1
365.14740	3.5
370.15341	10.3
371.13824	2.4
388.16446	1.8
389.14853	11.2
415.13406	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	415.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	4.7
59.05014	10.0
60.84319	4.0
67.05525	4.0
69.03425	7.0
70.06584	19.9
70.62702	11.9
72.08159	8.6
73.06561	7.5
81.19729	3.8
85.02885	16.8
86.09701	12.4
91.05496	11.8
97.02946	5.9
97.06568	5.2
105.07074	4.8
107.08580	3.8
119.04932	21.2
119.08599	4.2
145.10115	4.7
147.04395	100.0
147.05510	6.0
149.11758	7.1
150.12086	5.9
167.06976	6.0
212.32559	3.9
217.08586	6.2
221.07745	4.0
325.06979	5.2
371.07513	4.6
397.13245	7.0
415.10126	9.5
415.19556	5.6
437.25317	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	415.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	7.7
67.66299	3.2
69.03428	8.3
70.06594	19.7
72.08143	7.0
73.06556	9.8
74.06872	3.9
79.05476	5.9
81.03410	4.8
81.07047	3.3
84.80520	3.1
85.02908	16.2
86.09724	16.0
91.05473	15.4
97.02886	6.4
97.06518	6.1
98.97544	3.8
107.04947	5.6
107.08654	4.0
119.04938	17.2
123.69413	3.0
127.03989	4.8
129.06995	3.7
141.01805	5.1
147.04408	100.0
147.05542	7.1
149.09651	4.0
149.11772	5.8
150.12100	3.7
153.01846	3.6
156.05644	5.9
167.07030	4.9
170.13046	3.3
175.69986	3.8
178.62053	3.3
217.08540	12.9
225.33987	3.4
237.02745	4.3
261.07449	6.4
369.13828	3.6
371.07654	4.2
373.34995	3.9
415.10211	10.3
415.19604	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	414.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57689	1.4
53.03949	2.6
55.01854	2.7
57.03426	5.6
57.45693	1.3
59.04997	59.3
60.14526	1.4
61.02929	1.9
65.24179	1.2
69.03428	11.7
69.07061	1.4
70.06599	6.6
71.04990	2.2
71.56441	1.6
72.08147	3.1
73.02914	2.4
73.06550	100.0
74.72997	1.2
81.03425	7.2
81.07066	1.6
84.08138	2.2
85.02430	2.0
85.02904	25.3
86.06072	3.2
86.09702	4.3
87.00816	9.2
91.05437	2.8
97.02884	11.4
98.06063	1.9
99.04463	4.7
105.01852	6.2
109.02864	7.1
110.07146	1.7
117.09127	17.6
119.04908	3.3
120.08065	1.6
127.03900	12.4
131.10655	10.4
137.05927	1.5
145.04939	5.4
147.04399	11.5
148.07576	2.9
149.11720	75.9
159.02873	2.9
166.08557	1.5
167.07042	2.3
217.99539	1.4
286.59219	1.4
396.13190	2.7
414.16418	4.4
436.17154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95212	6.5
59.67257	6.3
70.06573	7.2
70.41228	6.6
71.56889	10.9
71.57249	8.2
75.71884	6.5
76.26239	7.2
77.04971	6.4
94.06568	11.3
94.11313	7.2
133.67146	7.3
150.05486	100.0
168.06580	38.1
259.42535	6.3
270.36530	7.1
272.41379	6.6
415.10184	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.05512	74.8
57.03435	28.5
57.07075	73.3
60.01258	4.4
67.05507	34.8
69.03428	6.2
69.07068	89.4
69.93646	12.0
69.94063	11.8
71.08629	44.3
74.99736	4.3
79.05496	7.5
80.42739	3.7
81.03417	6.4
81.07056	54.1
83.04955	4.3
83.08614	71.8
85.10166	29.7
93.07042	29.5
95.08608	39.4
97.06530	13.3
97.10175	44.5
98.21510	4.7
101.06016	5.2
107.08591	17.4
109.10152	23.0
109.59324	3.6
111.08079	9.5
111.11732	9.8
121.10152	15.5
123.11739	11.5
125.09605	5.5
129.09093	4.6
135.11670	16.1
137.13225	6.7
139.11172	14.4
149.13272	12.7
153.12785	8.7
159.29807	4.5
163.14830	9.9
177.16443	7.0
181.15822	6.1
209.80437	4.2
270.75967	4.1
291.82114	4.6
303.30508	8.7
321.31528	14.0
395.35306	17.5
413.30792	5.4
413.36218	100.0
414.36349	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96764	3.2
53.03949	16.9
55.01859	7.1
55.05517	26.7
57.03434	36.0
61.02912	4.7
67.05498	63.8
69.03430	68.4
69.03797	2.2
69.07063	25.4
71.01353	5.5
71.04971	16.8
71.57739	4.0
73.02899	9.0
79.05487	48.1
81.03417	78.4
81.07051	100.0
83.04980	32.6
83.08624	14.6
84.08177	3.1
85.02904	37.6
85.06544	6.0
87.04443	5.4
87.75488	3.0
91.05475	42.7
93.07044	63.9
95.04958	16.7
95.08607	30.8
97.02892	41.2
97.06516	16.5
97.10138	3.7
99.04434	14.9
99.08067	5.4
101.02376	3.9
103.03922	7.5
103.05472	2.8
105.07031	28.3
107.04942	10.6
107.08597	30.5
109.02902	15.6
109.06524	5.4
109.10146	11.6
111.04441	11.5
111.08075	5.8
115.03875	2.8
115.05437	3.1
117.06987	19.5
119.04952	3.9
119.08580	13.3
121.06487	5.4
121.10168	18.0
123.08088	4.2
123.11708	8.5
127.03893	22.3
129.05486	9.9
129.06970	6.9
131.08540	15.7
133.06459	4.9
133.10135	22.1
135.04390	2.9
135.08051	4.4
135.11702	13.9
137.06038	4.6
139.03845	5.3
139.11195	3.7
143.08572	3.2
145.10127	4.2
147.11664	12.9
147.56412	3.2
149.13255	34.9
151.07619	3.3
157.10136	6.0
159.08037	3.5
159.11665	22.2
161.13264	4.2
163.14890	3.4
165.12721	6.5
171.11687	3.2
173.13139	3.8
177.12756	11.8
183.06589	4.9
183.11749	3.3
195.13777	37.6
201.07483	3.4
213.12648	3.5
213.14728	5.6
219.13638	4.8
219.47435	2.6
269.17514	21.0
275.16553	5.8
297.16885	5.7
303.15857	3.5
331.29523	3.3
339.17975	9.0
395.20728	6.6
399.64526	2.9
413.12643	5.2
413.21680	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1411
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.63659	0.4
56.05027	1.6
57.03436	0.5
61.70426	0.4
63.11450	0.4
65.40704	0.4
69.03430	0.8
70.06596	2.7
70.86271	1.1
70.86639	0.9
74.06078	2.4
80.09702	0.5
82.94081	0.5
84.08147	0.7
85.02887	1.4
86.09687	0.9
91.03908	0.5
95.66943	0.4
97.02844	0.5
98.91779	0.4
102.05533	0.8
105.50845	0.5
116.07076	0.6
117.50224	0.5
118.95552	0.5
119.03540	3.2
120.06567	8.4
123.04414	0.5
123.06630	0.4
136.06177	100.0
137.04593	2.4
137.06618	0.5
154.06926	0.5
162.04102	61.5
163.03816	0.7
167.18103	0.4
183.15013	0.5
243.28603	0.6
268.10406	1.4
281.09909	44.1
282.10229	0.9
315.05054	0.5
316.99445	0.5
382.58203	0.5
413.13535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96764	3.2
53.03949	16.9
55.01859	7.1
55.05517	26.7
57.03434	36.0
61.02912	4.7
67.05498	63.8
69.03430	68.4
69.03797	2.2
69.07063	25.4
71.01353	5.5
71.04971	16.8
71.57739	4.0
73.02899	9.0
79.05487	48.1
81.03417	78.4
81.07051	100.0
83.04980	32.6
83.08624	14.6
84.08177	3.1
85.02904	37.6
85.06544	6.0
87.04443	5.4
87.75488	3.0
91.05475	42.7
93.07044	63.9
95.04958	16.7
95.08607	30.8
97.02892	41.2
97.06516	16.5
97.10138	3.7
99.04434	14.9
99.08067	5.4
101.02376	3.9
103.03922	7.5
103.05472	2.8
105.07031	28.3
107.04942	10.6
107.08597	30.5
109.02902	15.6
109.06524	5.4
109.10146	11.6
111.04441	11.5
111.08075	5.8
115.03875	2.8
115.05437	3.1
117.06987	19.5
119.04952	3.9
119.08580	13.3
121.06487	5.4
121.10168	18.0
123.08088	4.2
123.11708	8.5
127.03893	22.3
129.05486	9.9
129.06970	6.9
131.08540	15.7
133.06459	4.9
133.10135	22.1
135.04390	2.9
135.08051	4.4
135.11702	13.9
137.06038	4.6
139.03845	5.3
139.11195	3.7
143.08572	3.2
145.10127	4.2
147.11664	12.9
147.56412	3.2
149.13255	34.9
151.07619	3.3
157.10136	6.0
159.08037	3.5
159.11665	22.2
161.13264	4.2
163.14890	3.4
165.12721	6.5
171.11687	3.2
173.13139	3.8
177.12756	11.8
183.06589	4.9
183.11749	3.3
195.13777	37.6
201.07483	3.4
213.12648	3.5
213.14728	5.6
219.13638	4.8
219.47435	2.6
269.17514	21.0
275.16553	5.8
297.16885	5.7
303.15857	3.5
331.29523	3.3
339.17975	9.0
395.20728	6.6
399.64526	2.9
413.12643	5.2
413.21680	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.96088	0.6
55.01865	1.0
55.05513	5.8
56.05036	4.8
57.03413	0.9
57.07067	1.4
60.04519	3.2
67.04219	0.7
67.05176	1.2
67.05506	14.5
68.05029	1.0
69.03436	5.2
69.07063	3.3
70.06572	1.5
70.09992	3.0
71.05000	4.0
71.08638	0.8
72.08141	0.8
79.05067	1.1
79.05491	15.8
80.05022	4.1
81.03406	2.8
81.05794	2.4
81.07050	15.4
82.06587	5.5
83.04970	0.9
83.08624	4.6
83.11641	0.8
85.06538	2.2
87.04461	3.4
89.46808	0.7
91.05479	8.0
93.07043	27.3
94.06569	21.4
94.07254	0.9
94.07407	0.8
95.04964	5.1
95.08607	22.8
96.08141	4.1
97.06526	5.9
97.10145	1.5
105.07035	14.2
107.07349	3.6
107.08594	1.6
110.09691	11.5
111.08075	15.4
121.10129	1.1
122.08767	1.7
122.09666	37.9
123.08064	28.1
128.10715	39.6
129.11124	0.7
140.10699	100.0
141.09113	8.8
141.11021	2.0
158.11769	10.7
254.24872	1.0
272.25821	5.5
364.32300	1.0
382.33105	3.4
382.71454	0.9
394.33133	10.8
412.33960	5.3
413.21475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03936	4.4
55.05498	15.0
57.03413	2.9
57.07058	5.5
59.04982	2.3
60.27237	1.9
62.63746	1.6
65.03933	2.7
67.05500	26.6
69.03403	3.6
69.07059	31.2
70.06588	2.2
71.58105	2.3
79.05487	24.5
81.07053	57.6
82.07365	1.7
83.08615	9.3
85.02893	3.3
91.05473	20.0
91.56178	1.6
93.07040	48.8
95.04959	4.4
95.08601	100.0
97.06503	2.2
97.10166	6.4
99.04465	2.0
99.08147	2.5
105.07022	35.3
106.07346	2.1
107.04936	2.0
107.08584	79.4
108.08936	2.5
109.06519	2.1
109.10148	49.6
111.08066	5.7
113.09618	1.9
117.07009	3.1
119.08568	36.5
119.09370	3.1
121.10136	58.4
123.08066	3.1
123.11708	17.4
125.09632	1.9
129.06949	1.8
131.08549	6.3
132.95911	2.0
133.10126	33.4
135.11684	32.2
137.09639	2.3
137.13260	6.9
143.08524	2.6
145.10112	10.2
147.04488	1.9
147.11664	23.9
149.13246	46.4
150.76947	2.1
151.11223	2.0
151.14819	3.9
157.10045	2.1
158.97440	2.4
159.10587	1.6
159.11697	10.7
161.13235	25.6
163.11139	3.0
163.14813	71.0
164.15237	1.9
165.12799	2.0
173.13260	8.2
175.14803	23.7
177.12817	2.8
177.16377	41.5
179.14343	5.8
185.13298	1.8
187.14810	16.8
189.16379	34.8
191.14308	2.9
191.17920	19.1
192.18071	1.6
198.96880	2.2
201.16391	7.7
202.15913	2.3
203.14346	1.7
203.16063	2.4
203.17940	39.4
205.19539	4.9
207.17513	5.2
213.16565	2.2
215.17966	7.6
217.19566	7.1
219.17430	3.2
227.17836	2.3
229.19525	3.9
231.21002	15.9
233.19008	6.1
233.22681	3.3
243.21191	2.8
247.24345	2.5
257.22479	2.0
277.00061	6.5
315.26782	1.8
323.27228	2.0
393.35196	9.8
411.27658	2.5
411.36209	89.7
412.36804	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	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05513	13.6
57.03405	2.1
57.07070	3.5
59.04993	1.4
65.03912	1.8
67.05499	22.7
68.15330	1.5
69.03436	1.7
69.07068	26.7
69.24299	18.8
71.04979	3.5
71.08637	1.9
79.05488	20.8
80.10956	1.4
81.03368	1.8
81.07053	60.1
82.07365	1.6
83.04967	2.6
83.08614	12.4
91.05473	20.1
93.07040	47.0
95.04984	4.8
95.08601	100.0
96.08925	1.8
97.02840	1.5
97.06534	3.0
97.10167	6.7
105.07024	39.0
107.08590	74.7
109.06505	2.3
109.10149	45.2
111.08071	4.1
111.11724	2.7
117.07043	4.5
119.08567	38.7
121.06552	1.8
121.10131	61.0
123.08088	2.4
123.11720	20.3
125.09592	2.9
131.08574	7.0
133.10124	25.4
135.08035	2.2
135.11687	28.6
137.13255	5.4
143.08583	2.1
145.10130	8.7
147.11682	25.2
149.13248	50.5
151.11133	1.7
159.08115	1.6
159.11673	9.4
161.13251	20.5
163.11134	2.9
163.14813	66.4
165.12715	1.8
171.11661	2.0
173.13219	8.4
175.14841	22.7
177.16377	33.8
179.14313	5.7
180.10406	1.5
187.14799	17.0
189.16402	33.6
191.14348	2.0
191.17921	17.8
201.16426	6.8
203.17952	40.9
205.19556	4.8
207.17526	4.1
208.95930	1.8
215.18015	7.1
217.19470	7.9
219.17480	3.2
227.18188	1.7
229.19551	3.9
231.21031	16.1
233.18977	5.1
234.99097	2.6
243.21117	2.7
247.24274	2.7
255.21158	1.9
256.98441	1.7
277.00018	4.1
368.60699	1.6
393.35153	10.2
411.14111	2.0
411.36203	79.8
412.36536	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	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05513	13.6
57.03405	2.1
57.07070	3.5
59.04993	1.4
65.03912	1.8
67.05499	22.7
68.15330	1.5
69.03436	1.7
69.07068	26.7
69.24299	18.8
71.04979	3.5
71.08637	1.9
79.05488	20.8
80.10956	1.4
81.03368	1.8
81.07053	60.1
82.07365	1.6
83.04967	2.6
83.08614	12.4
91.05473	20.1
93.07040	47.0
95.04984	4.8
95.08601	100.0
96.08925	1.8
97.02840	1.5
97.06534	3.0
97.10167	6.7
105.07024	39.0
107.08590	74.7
109.06505	2.3
109.10149	45.2
111.08071	4.1
111.11724	2.7
117.07043	4.5
119.08567	38.7
121.06552	1.8
121.10131	61.0
123.08088	2.4
123.11720	20.3
125.09592	2.9
131.08574	7.0
133.10124	25.4
135.08035	2.2
135.11687	28.6
137.13255	5.4
143.08583	2.1
145.10130	8.7
147.11682	25.2
149.13248	50.5
151.11133	1.7
159.08115	1.6
159.11673	9.4
161.13251	20.5
163.11134	2.9
163.14813	66.4
165.12715	1.8
171.11661	2.0
173.13219	8.4
175.14841	22.7
177.16377	33.8
179.14313	5.7
180.10406	1.5
187.14799	17.0
189.16402	33.6
191.14348	2.0
191.17921	17.8
201.16426	6.8
203.17952	40.9
205.19556	4.8
207.17526	4.1
208.95930	1.8
215.18015	7.1
217.19470	7.9
219.17480	3.2
227.18188	1.7
229.19551	3.9
231.21031	16.1
233.18977	5.1
234.99097	2.6
243.21117	2.7
247.24274	2.7
255.21158	1.9
256.98441	1.7
277.00018	4.1
368.60699	1.6
393.35153	10.2
411.14111	2.0
411.36203	79.8
412.36536	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	411.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05512	15.1
57.07076	3.6
65.03938	3.1
67.05505	24.7
69.07063	23.7
70.12201	10.0
72.06404	1.7
79.05484	21.4
81.07053	58.7
83.08615	8.0
91.05485	19.0
93.07039	53.8
95.04977	3.6
95.08602	100.0
97.06516	1.8
97.10157	7.9
97.10772	2.0
105.07022	35.0
105.07678	2.5
107.08590	83.5
109.06550	2.9
109.10144	48.0
111.08031	4.1
117.06985	2.8
119.08568	36.9
121.10140	60.8
123.08089	3.2
123.11689	17.4
125.09618	2.4
131.08559	5.8
133.10110	28.6
135.11684	31.3
137.09596	2.2
137.13246	8.6
145.10110	9.9
147.11687	26.3
149.13246	46.0
150.83543	1.8
159.11690	7.0
161.13260	19.0
163.11201	2.5
163.14812	64.5
164.15182	2.0
165.12697	2.1
173.13297	5.4
175.14812	21.5
175.67453	1.7
177.12775	3.2
177.16383	34.3
179.14368	5.2
187.14838	15.8
189.16365	35.6
191.17938	19.7
201.16371	7.1
203.17958	37.3
205.19524	5.4
207.17476	3.1
215.17931	6.9
217.19531	6.7
219.17549	2.2
229.19489	2.8
231.21046	18.9
233.19019	6.8
233.22711	2.6
247.20641	2.9
269.22644	2.0
331.46118	1.8
393.35098	13.7
411.26682	8.8
411.36212	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66328	1.4
53.03934	2.3
54.02368	1.3
55.05315	1.1
55.05510	14.0
57.07055	3.2
65.03935	2.4
66.91453	1.3
67.05502	22.2
69.06723	2.2
69.07064	27.9
69.99512	1.3
71.58228	2.7
79.05490	18.5
81.07053	64.0
83.08614	9.9
85.06521	1.5
86.57852	1.6
91.05467	17.1
93.07043	50.3
95.04943	2.1
95.08600	100.0
97.06496	1.9
97.10155	5.3
99.08087	2.8
105.07014	33.1
105.07686	2.5
106.07330	1.6
107.08593	79.9
108.93037	1.3
109.06498	3.3
109.10149	43.3
111.08089	2.5
111.11699	2.2
117.06997	2.8
119.08576	37.4
121.10140	51.5
123.08039	3.5
123.11687	17.4
124.95634	1.5
125.09646	1.8
131.08554	4.5
133.10126	28.3
135.10681	2.8
135.11687	33.4
137.13219	7.6
139.11191	1.6
145.10115	9.3
147.11676	26.8
149.13246	48.3
151.11133	2.4
159.11671	8.6
161.13245	20.0
163.14821	69.2
164.15201	3.2
165.12712	1.8
171.11670	1.7
173.13225	8.3
175.14816	21.9
175.16267	1.8
177.12878	2.1
177.16373	40.2
179.14301	6.7
185.13414	1.5
187.14809	15.0
189.16371	35.3
191.17955	19.0
201.16386	7.5
203.17935	42.5
205.19501	5.8
207.17453	4.2
215.17957	7.6
217.19505	7.3
229.19537	7.0
231.21074	17.0
233.18987	4.2
233.22556	2.2
245.22726	2.6
247.20560	2.6
247.24188	2.6
393.35147	11.8
411.36194	83.0
412.31900	5.8
412.36734	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	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06611	2.2
55.01854	2.9
55.05508	15.5
57.03440	4.0
57.07071	2.8
65.03936	2.3
67.05505	28.2
69.03410	7.8
69.07063	17.5
70.06582	5.2
71.04993	2.1
71.08657	2.2
71.57139	2.8
77.03963	2.1
79.05488	23.9
81.03410	4.6
81.07055	48.1
83.04972	8.8
83.08601	9.9
84.04470	1.9
85.02890	6.7
85.06545	2.6
87.04459	4.7
91.05471	25.3
93.07040	48.5
95.04957	8.5
95.08607	62.9
97.02889	4.0
97.06535	5.1
97.10195	3.8
98.06072	4.2
103.05458	3.6
105.07027	54.3
107.04873	2.1
107.08585	55.8
108.68600	1.9
109.06495	7.0
109.10151	29.9
111.08097	12.3
115.05402	2.5
117.06998	9.4
119.04901	2.6
119.08575	63.2
121.06500	27.4
121.10141	36.8
123.08079	32.5
123.11699	10.8
125.09614	5.2
129.06981	3.1
130.07784	4.2
131.08562	29.8
133.10130	36.9
135.08047	9.7
135.11708	20.2
137.05969	2.9
137.09642	15.3
137.13258	2.9
139.11140	4.5
143.08557	7.8
145.09038	3.4
145.10127	41.4
147.04356	5.5
147.08049	10.2
147.11673	30.8
149.09610	9.5
149.12169	3.5
149.13257	34.8
151.11157	3.5
155.08528	2.6
157.10124	5.4
159.11710	29.7
161.09610	28.8
161.13243	23.9
163.11218	15.7
163.14812	22.6
165.09134	4.6
165.12700	3.3
171.11687	9.7
173.09627	2.1
173.13260	41.2
175.11191	7.7
175.14827	33.1
177.12756	9.0
177.16365	12.0
179.14272	5.7
183.11687	5.7
185.13242	8.6
187.14803	35.8
189.12787	16.6
189.16374	19.1
191.14310	32.4
191.17978	5.6
193.15891	8.1
199.14827	9.5
201.12689	2.3
201.16388	29.2
203.14250	9.9
203.17950	14.0
205.15866	70.1
205.19627	2.9
211.14862	4.4
213.16350	5.1
215.14319	7.8
215.17924	3.8
217.15924	10.3
217.19473	3.2
219.06424	2.9
219.17467	28.7
227.17877	4.3
229.19345	4.5
231.17412	6.0
245.18922	4.6
255.21017	4.4
258.17084	17.7
269.22562	2.5
372.58325	2.2
375.30365	7.7
383.33374	4.4
393.31503	41.5
411.32523	100.0
412.27042	5.2
412.32993	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	411.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76638	0.5
60.42155	0.5
61.22945	0.5
62.88906	0.5
65.10812	0.5
65.85836	0.4
69.86881	2.9
70.06554	0.7
76.15213	0.5
79.05442	0.5
86.09674	0.6
90.73744	0.6
91.05446	0.5
91.89256	0.5
104.81224	0.5
105.13432	0.5
120.08055	0.6
143.16095	0.5
164.20593	0.5
182.09851	0.5
207.08568	1.4
249.09775	1.9
255.10548	0.6
267.10895	4.0
291.10751	1.0
309.11664	1.8
316.78070	0.5
411.15881	100.0
412.16446	2.8
433.64963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.05500	11.3
57.07071	2.1
60.64837	1.5
67.05502	24.7
69.07069	23.1
69.78644	8.4
79.05055	2.3
79.05487	23.3
81.07050	64.9
83.08607	8.6
91.05466	20.2
93.07036	49.9
95.04948	3.9
95.08604	100.0
97.06504	1.8
97.10145	6.1
98.21482	2.5
105.06297	2.2
105.07021	58.8
107.08590	72.1
108.08899	1.5
109.06503	3.6
109.10147	43.6
111.08053	4.7
117.07011	4.8
119.08574	42.7
121.06516	2.3
121.10138	52.0
122.10454	1.6
123.08038	2.1
123.11723	11.6
129.07030	3.2
130.07794	1.4
131.08556	16.8
133.10115	33.4
135.08067	2.3
135.11678	24.1
137.13222	3.2
143.08514	7.2
144.09290	1.5
145.10124	27.6
147.11678	33.9
149.09608	1.7
149.13254	53.7
151.14696	1.5
155.08479	1.8
157.10118	5.5
158.10938	1.4
159.11703	22.9
160.12444	2.0
161.09550	1.9
161.13249	20.2
163.11168	2.9
163.14809	36.4
169.10211	2.0
171.11703	4.3
173.13246	16.4
175.11223	1.7
175.14818	29.2
177.12791	4.5
177.16377	47.0
183.11739	1.9
185.13287	4.0
187.14799	25.5
189.16360	29.7
191.17966	12.0
197.13036	1.5
199.14850	5.2
201.16367	12.8
203.16049	2.2
203.17940	43.2
203.19749	2.8
205.15863	14.2
205.19516	6.3
213.16370	10.9
215.17915	8.7
217.15874	4.0
217.19542	4.3
219.17484	4.8
225.16570	2.6
227.17888	6.9
229.19511	5.1
231.17397	7.7
231.21150	3.3
233.19052	2.2
241.19470	4.5
243.21048	4.5
253.19589	2.1
255.21140	5.6
257.22635	2.1
259.20618	2.4
267.21066	1.5
313.25418	1.9
351.30496	10.9
353.32352	1.6
391.33582	10.1
409.34641	74.1
410.34872	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	410.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01866	2.9
57.03418	3.4
61.02900	3.6
67.05492	1.8
68.99766	4.4
69.03414	7.1
69.57210	3.3
69.57616	9.6
70.06580	4.0
71.05006	2.2
73.02908	3.1
81.03410	12.6
83.04990	1.8
85.02902	26.6
87.00838	9.5
91.05470	2.9
97.02863	9.2
99.04455	5.2
103.03936	3.0
103.05486	1.9
105.01844	3.3
109.02869	6.1
115.05430	2.8
117.01855	1.8
117.05759	7.6
117.07015	7.0
120.08080	4.0
127.03912	11.1
129.01787	2.5
129.06993	10.9
130.06526	18.0
131.06924	2.9
132.08084	5.9
143.07301	30.5
144.08075	96.0
145.04988	2.4
145.08430	2.7
154.06453	1.7
156.08058	29.8
157.08888	8.1
158.06027	3.2
158.09645	100.0
159.02896	2.9
159.10013	2.5
160.07518	11.4
162.09129	6.7
167.07297	6.4
168.08081	27.3
170.09637	4.5
172.07611	4.1
174.09131	10.5
180.08083	3.9
181.08830	3.2
182.09714	7.8
184.07564	28.3
186.09122	90.4
191.07202	4.4
192.08101	2.5
194.09647	3.1
196.07579	2.0
196.11177	4.5
198.09062	3.2
203.07051	2.5
204.10187	76.7
205.10519	2.9
206.09660	4.9
209.08357	2.2
210.09148	4.5
214.08434	2.1
224.10677	7.7
228.10168	5.9
234.09103	2.0
240.10121	2.2
252.10190	17.5
270.11200	7.9
288.12210	3.0
312.12387	2.9
330.13300	7.8
348.14435	5.0
356.11194	6.6
374.12311	34.5
392.13379	39.8
410.18555	5.0
410.25293	2.7
411.19958	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81594	1.3
53.03933	1.6
55.05503	15.4
57.03412	1.4
57.07053	3.8
65.03929	2.0
67.05499	23.7
69.03402	1.5
69.06725	1.9
69.07063	25.7
70.06571	1.3
71.04941	1.3
77.03872	1.5
79.05479	23.3
81.07048	66.5
83.08608	11.0
91.05475	23.3
93.07034	53.1
93.07628	2.2
95.04960	5.0
95.08598	100.0
96.08933	1.6
97.06506	2.1
97.10157	6.0
104.45499	1.4
105.07021	56.8
106.07412	1.6
107.08582	69.2
109.06512	3.9
109.10143	47.2
111.08060	4.5
111.11705	3.0
117.06985	5.1
118.32846	1.5
119.08566	45.7
121.10135	48.1
123.08064	3.2
123.11697	15.3
125.09615	3.7
128.06226	1.8
129.07069	2.7
131.08569	14.6
133.10124	36.9
135.08083	2.8
135.11676	26.5
136.11992	2.4
137.13271	4.6
139.11140	1.3
141.06883	1.4
143.08565	9.7
144.09302	2.4
145.10115	25.7
146.10344	1.6
147.11674	43.2
148.12053	2.1
149.02347	4.8
149.09653	2.9
149.13242	56.3
151.11211	2.0
151.14822	1.8
157.10126	8.9
159.11682	24.5
161.09564	1.7
161.13234	22.0
163.11142	3.3
163.14799	37.1
165.12697	2.9
165.16370	2.8
169.10042	2.4
171.11662	7.0
173.13266	15.7
175.11237	3.0
175.14815	28.2
177.12791	2.5
177.16368	42.2
181.10197	1.6
183.11606	1.5
185.13214	7.5
187.14798	31.6
189.12712	1.6
189.16357	35.8
191.17928	16.8
193.04945	3.4
199.14853	6.7
200.20099	3.2
201.16379	11.6
203.14342	2.8
203.17934	41.7
204.18263	1.9
205.15843	12.5
205.19492	10.4
211.14815	1.6
213.16345	9.0
215.17952	9.0
217.15862	4.1
217.19524	5.9
219.17461	4.4
225.16261	1.8
227.17943	5.3
229.19524	4.0
231.17455	7.9
231.21089	4.0
233.18970	3.6
237.07552	5.3
237.16342	1.4
239.17894	2.7
241.19476	7.3
243.21140	4.2
245.18979	2.9
253.19522	2.2
255.21080	5.0
257.22592	2.3
259.20547	2.4
267.21094	1.7
269.22540	2.7
295.24033	1.9
325.15686	1.4
335.08594	1.8
347.61655	1.4
351.30539	7.9
391.33572	9.5
409.34610	76.3
410.25238	6.3
410.34924	5.6
423.98459	1.4
432.00925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01870	2.6
55.05515	17.2
57.03439	2.8
57.07064	3.9
60.84186	1.6
67.05501	28.8
69.03425	6.2
69.07065	37.6
69.46221	15.2
70.06588	2.1
71.01342	1.8
71.04990	2.1
72.08159	2.4
74.02464	1.6
79.05486	32.7
81.03426	4.4
81.07050	77.7
83.04971	8.6
83.08617	12.6
85.02905	4.1
86.06059	2.4
86.40388	2.2
87.00853	2.2
88.04003	3.8
91.05475	28.2
93.07036	69.2
95.04952	8.3
95.08601	100.0
97.02889	4.6
97.06518	7.3
97.10144	8.7
103.05424	2.1
105.07024	73.7
107.04961	2.4
107.08589	74.0
108.08119	2.9
108.08890	1.8
109.02834	2.2
109.06515	7.1
109.10150	55.4
111.08098	4.8
117.07003	6.6
119.08576	56.0
121.06510	4.8
121.10136	58.3
122.10456	2.5
123.08048	3.7
123.11705	15.8
125.05984	5.1
125.09634	4.1
127.03908	1.7
129.07010	7.3
130.07701	2.1
131.05023	1.6
131.08563	25.1
133.10126	44.2
134.09631	1.9
135.08066	3.9
135.11685	30.4
137.09671	2.1
137.13234	6.0
139.11140	2.9
142.07727	3.2
143.07054	4.7
143.08530	11.2
145.10107	40.0
146.10515	2.0
147.08005	3.8
147.11676	43.1
149.09659	3.4
149.13246	63.0
150.13542	2.0
151.07538	3.7
151.14873	2.0
155.08537	2.2
157.10132	15.7
158.10893	2.5
159.08055	2.6
159.11694	31.6
160.12173	1.7
161.06065	2.0
161.09607	2.4
161.13258	29.8
163.11249	2.7
163.14809	33.6
165.09073	2.6
169.10101	5.1
170.10933	2.0
171.11702	6.7
173.09683	3.3
173.13257	20.6
175.11256	3.5
175.14832	27.7
177.05553	2.1
177.12694	3.4
177.14989	2.8
177.16389	29.9
183.11641	4.1
185.13234	6.8
187.14793	31.1
189.12663	2.9
189.16360	31.5
189.17900	2.6
191.17969	12.1
195.11781	2.5
197.13210	3.7
199.14830	6.7
201.16356	12.2
203.14388	3.6
203.17937	42.8
205.15877	10.9
205.19565	7.6
211.14830	4.6
213.16417	8.6
215.17947	10.1
217.15811	3.9
217.19446	8.8
219.17352	2.8
220.13387	4.8
225.16296	2.7
227.17931	7.1
229.19553	4.9
231.17447	7.3
231.21066	3.6
233.18999	3.4
239.18146	2.5
241.19533	4.6
243.21121	2.4
245.18976	2.3
251.27628	1.7
253.19479	3.3
255.21097	3.5
259.20367	2.7
266.65283	1.8
267.20999	2.2
269.22632	2.5
293.18420	3.2
295.24078	2.1
313.25226	2.0
350.23209	48.1
351.23743	4.2
351.30414	10.9
381.34967	2.0
391.25998	4.2
391.33640	9.8
402.65787	2.1
409.26981	25.4
409.34622	66.4
410.34995	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05513	11.3
57.07067	3.1
62.55642	1.3
65.03939	2.1
67.05177	1.8
67.05505	26.1
69.07062	23.0
69.25617	15.2
77.03895	1.7
79.05488	21.9
81.07052	66.0
82.07375	1.3
83.08602	7.8
91.05474	20.8
93.07040	54.4
95.04955	4.8
95.08601	100.0
97.06527	2.4
97.10162	6.7
98.20662	2.3
98.97600	2.3
103.05421	1.6
105.07025	65.5
107.08588	64.9
108.08929	1.3
109.06505	5.7
109.10146	47.8
110.10493	1.6
110.97598	2.9
111.08067	4.8
116.98646	3.2
117.06985	6.8
119.08576	46.0
120.08886	1.6
121.10135	45.9
123.08079	1.9
123.11694	16.8
128.98572	4.3
129.07033	2.8
131.08559	15.9
133.10118	41.1
134.10497	1.6
135.11679	31.4
137.09641	1.8
137.13252	4.3
139.11140	1.8
142.07695	1.3
143.08582	7.6
144.09340	1.8
145.10115	27.7
146.99648	2.8
147.11685	39.7
149.13249	58.9
157.10133	6.3
158.11009	1.4
159.11682	28.9
161.09662	1.7
161.13239	22.2
163.14819	33.8
165.16409	2.0
170.99657	2.6
171.11681	7.1
173.13260	16.2
175.14806	30.1
176.15199	2.0
177.16371	33.6
179.18059	1.5
185.13249	5.8
187.14809	29.1
189.00644	1.4
189.16388	41.0
190.16737	1.7
191.17946	15.1
193.15901	1.6
197.13251	1.3
199.14821	5.3
200.36331	1.3
201.16386	15.2
203.14302	2.9
203.17953	46.2
205.15895	9.2
205.19478	8.0
211.14769	1.6
213.16364	9.6
215.18011	8.1
217.15848	4.6
217.19582	4.5
219.17349	3.9
227.17929	6.1
229.19514	5.2
231.17404	7.4
231.21054	3.8
233.18965	2.6
241.19572	4.8
243.20964	2.5
249.02847	4.8
253.19418	2.8
255.21078	5.5
267.21069	1.6
269.22675	2.0
273.25793	1.7
281.22665	2.1
305.01944	7.6
305.04987	1.4
323.02786	2.5
339.12335	1.3
351.30444	10.6
391.33527	8.6
409.26013	2.8
409.34610	68.7
410.25943	1.7
410.35077	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05500	13.7
57.07055	2.4
65.03922	1.3
67.05501	26.8
68.32575	1.1
69.07063	19.2
77.03899	1.2
79.05485	25.7
81.07050	63.0
83.08606	10.6
91.05471	23.9
92.05788	1.3
93.07039	50.4
95.04958	4.5
95.08601	100.0
96.08949	1.8
97.06539	1.7
97.10175	5.8
98.30606	1.2
105.07022	55.1
107.08586	67.5
109.06517	4.1
109.10149	44.7
110.10526	1.2
111.08057	4.3
111.11698	3.3
117.07024	4.7
119.06056	1.2
119.08569	45.3
120.08970	1.5
121.06529	1.9
121.10134	50.3
123.08086	1.9
123.11720	14.6
125.09619	1.6
129.06984	2.5
130.07788	1.3
131.08545	14.7
133.10110	33.3
135.11678	29.1
137.13202	3.1
143.08562	6.0
145.09036	2.2
145.10120	27.5
147.08073	1.5
147.11676	41.9
147.12799	2.7
149.09619	2.1
149.13249	57.9
151.11182	1.3
151.14783	1.8
155.08539	1.6
157.10126	6.5
159.11687	23.5
161.13248	25.0
163.11145	1.7
163.14818	35.0
169.10165	2.1
171.11679	7.2
173.13239	14.9
175.11302	1.2
175.14830	24.7
177.12762	2.4
177.16371	35.7
183.11690	2.5
185.13240	4.9
187.13138	2.4
187.14815	31.0
189.16371	36.5
191.14180	1.8
191.17955	12.5
197.13341	2.2
199.14856	5.8
201.16406	11.9
203.14336	1.6
203.17935	44.6
204.18182	1.9
205.15883	11.7
205.19533	7.8
212.09389	1.6
213.16379	10.6
215.17886	7.9
217.15909	5.0
217.19553	6.4
219.17442	4.0
225.16371	2.2
227.18010	6.0
229.19547	3.6
231.17511	8.6
231.21080	3.3
233.18898	2.3
237.16684	1.7
240.12347	1.7
241.19540	4.5
243.21097	3.8
245.18971	2.1
253.19609	1.9
255.21048	6.0
259.20779	1.5
259.24228	1.3
267.21161	2.1
270.17307	1.3
271.20529	1.7
281.22708	1.4
283.24088	1.4
295.24048	1.9
351.30420	13.3
354.73038	1.3
391.33441	9.9
392.24341	4.9
409.26035	15.7
409.34604	73.1
410.25598	9.1
410.35028	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43347	1.0
53.03942	1.8
55.05508	10.7
57.07059	2.0
63.56010	1.0
65.06525	1.1
67.05502	26.0
68.48784	1.1
69.07063	22.0
69.24172	14.1
74.08069	1.2
77.44473	1.2
79.05489	24.0
81.07049	67.7
83.08602	9.0
91.05469	21.2
93.07038	53.6
95.04970	3.8
95.08601	100.0
95.34312	1.3
96.08949	1.7
97.06506	2.2
97.10167	7.3
105.06303	1.3
105.07027	58.1
107.08586	61.4
109.06529	3.0
109.10151	50.0
111.08073	3.7
111.11703	2.1
117.07030	6.9
119.07903	1.2
119.08570	44.2
121.10134	49.6
123.05367	1.2
123.08049	2.8
123.11695	15.4
125.09639	2.1
129.06998	2.3
131.08549	15.2
133.09102	2.0
133.10123	38.1
135.08075	1.5
135.11678	28.4
137.09509	1.4
137.13258	3.3
143.08556	5.9
144.09325	1.6
145.10114	28.4
147.11678	43.5
149.09598	2.6
149.13254	59.2
151.14885	2.0
155.08522	1.6
157.10136	6.1
159.11696	22.9
159.13026	1.5
161.13243	24.4
161.14597	1.6
163.11160	2.0
163.13423	1.9
163.14813	38.4
171.11688	5.3
173.13278	16.1
175.11223	2.1
175.14819	27.6
177.12756	1.4
177.16380	37.2
177.17831	2.4
178.16711	1.6
183.11635	1.5
185.13264	4.6
187.14809	33.0
189.12790	1.4
189.16371	36.2
191.17944	13.6
199.14755	6.0
201.16365	10.3
203.14365	3.1
203.16002	2.3
203.17946	49.4
204.18341	1.8
205.15851	13.6
205.19449	10.1
207.17445	1.7
211.14784	1.4
213.16336	11.2
215.17932	7.3
217.15877	5.0
217.19420	6.3
219.17535	3.7
225.16360	1.4
227.17888	6.7
229.19536	4.0
231.17484	6.6
231.21092	4.2
233.19023	1.7
239.18048	1.4
241.19482	4.6
243.21135	2.3
253.19519	2.0
255.21109	4.3
257.22601	1.9
259.20563	1.7
269.22470	1.7
281.22690	1.5
285.22009	1.5
351.30450	12.4
381.35150	1.9
391.33572	9.9
409.34653	75.1
410.34906	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01273	1.9
51.95856	2.0
53.03939	4.3
54.77330	2.1
55.05507	22.0
57.07060	4.1
64.49625	1.8
64.69707	1.9
67.05502	33.3
67.44083	2.0
69.03426	6.3
69.07066	30.9
70.06586	4.4
72.08135	2.8
79.05487	28.7
81.03426	3.7
81.07054	62.5
83.04971	6.0
83.08603	12.8
86.06073	2.5
87.04465	4.8
91.05473	28.0
93.07043	55.3
95.04958	8.3
95.08607	100.0
97.02917	2.4
97.06512	5.1
97.10161	8.0
98.21510	6.8
103.05442	2.4
105.07027	59.1
107.07870	3.7
107.08588	65.3
109.06546	8.1
109.10153	45.8
110.10533	2.1
111.08085	5.0
111.11690	2.5
117.07014	8.3
119.08575	50.9
121.06480	3.9
121.10136	45.2
123.08099	3.1
123.11671	17.0
125.05995	3.3
125.09630	2.8
129.07024	6.5
131.08577	19.8
133.06502	2.8
133.10135	35.6
135.08055	4.6
135.11697	29.3
137.05937	4.5
137.09615	3.5
137.13248	7.2
143.07060	3.3
143.08569	11.6
145.10126	40.8
147.11676	46.1
148.11995	2.2
149.02290	10.6
149.09592	3.2
149.13255	51.2
151.07561	3.1
151.14822	2.5
155.08553	5.0
157.10138	12.9
159.11679	33.3
160.18358	2.3
161.13251	28.0
163.14827	25.3
169.10121	5.2
171.11629	14.3
173.13242	22.9
175.11253	3.5
175.14806	21.7
177.12875	2.7
177.16388	33.2
179.14272	5.5
183.11711	7.0
183.13487	2.0
185.13243	10.3
187.14790	24.0
189.16383	32.5
191.14311	4.8
191.17938	15.0
193.04915	15.4
193.12163	2.7
197.13251	5.4
199.14801	10.4
201.16371	15.6
203.14394	3.3
203.17944	38.0
205.15852	12.6
205.19496	8.1
211.14839	5.0
213.16338	11.6
215.17960	9.5
217.15968	4.0
217.19446	4.7
219.17407	11.4
225.16458	3.0
226.17192	6.8
227.18005	5.9
229.12434	2.7
229.16214	2.5
229.19478	9.8
231.17445	4.4
231.21046	4.2
241.19540	5.9
243.21083	5.5
244.22816	4.3
253.19539	3.2
255.21039	5.6
257.22751	2.5
259.20541	3.0
267.21002	2.5
269.22604	11.1
281.22559	2.8
351.30377	7.9
374.19553	20.9
391.26102	2.8
391.33560	14.1
409.26944	11.6
409.34659	88.0
410.25391	10.7
410.34579	3.0
424.78616	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01863	5.7
55.05506	17.0
57.03429	8.0
57.07072	11.9
65.03936	3.8
67.05497	37.3
69.03431	4.7
69.07066	23.9
69.24050	23.3
70.11568	1.9
71.04980	5.7
71.08617	15.1
79.05492	19.7
79.74348	1.7
81.07050	50.3
83.04964	5.0
83.08609	7.1
85.06541	5.2
86.85923	1.7
91.05481	21.8
93.07039	33.8
95.04960	33.2
95.08601	33.2
96.11736	2.0
97.06522	11.5
97.10131	3.2
98.20716	4.7
99.08084	12.0
105.07022	35.4
106.40582	2.1
107.08588	26.4
109.06512	48.2
109.10157	16.2
117.06984	4.9
119.08585	30.9
121.06504	16.9
121.10144	14.5
123.08039	9.9
123.11701	5.1
131.08572	14.3
133.10127	16.8
135.08054	7.5
135.11696	8.8
137.09619	3.6
138.09077	2.2
139.11208	3.3
142.07779	4.4
143.08536	7.4
145.10098	19.6
146.10606	1.9
147.08005	5.7
147.11696	13.0
149.09671	4.9
149.13316	5.7
151.07573	5.0
151.11116	2.9
157.10101	7.1
159.08034	3.2
159.11659	8.9
161.09628	2.1
161.13277	5.9
163.11220	8.4
163.14871	3.8
165.09045	6.1
165.12744	88.2
167.10741	2.2
169.10121	3.5
171.11693	3.4
173.09612	2.6
173.13249	4.8
175.11101	3.8
175.14792	4.7
177.12756	3.8
179.14255	2.1
183.11699	2.6
185.13257	2.9
187.10982	2.2
187.14816	2.6
189.12831	2.9
189.16438	4.1
191.14311	3.4
201.16377	3.3
203.14337	4.2
203.17966	2.3
207.13713	2.5
209.19009	10.4
219.17461	2.8
221.15413	9.4
235.81161	2.0
249.18172	2.2
261.18600	2.2
279.19531	2.6
289.25250	17.8
307.26282	3.4
317.24747	100.0
318.25110	4.3
335.25806	30.9
391.28342	6.7
409.29785	43.8
409.34622	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
53.42387	1.5
55.01857	2.4
55.05257	2.1
55.05513	18.4
57.07066	3.8
59.04987	3.2
64.43078	1.7
65.03944	3.0
67.05502	15.2
69.03423	7.7
69.07063	5.9
71.04988	1.8
71.49820	2.9
77.03929	2.1
79.05053	2.3
79.05488	22.4
80.06247	1.4
80.14000	1.3
81.07053	27.7
83.04976	5.5
85.06547	2.7
91.05481	34.6
93.07043	36.9
95.04968	50.6
95.08607	24.9
97.06544	7.6
103.05450	5.4
105.07030	100.0
106.07243	1.6
107.08597	22.4
109.06512	10.8
109.10128	6.7
111.08113	1.4
115.05503	3.9
117.07027	12.7
119.04922	2.5
119.08577	61.2
121.06511	11.5
121.10149	8.9
123.08073	17.3
123.11736	1.8
128.06177	3.5
129.06978	9.1
130.07774	6.2
131.08557	21.5
133.06462	4.4
133.10159	15.9
135.08034	14.3
135.11728	3.7
137.09605	8.7
141.06990	3.4
142.07800	12.9
143.08575	12.3
144.09271	3.4
145.06445	1.7
145.10123	35.3
147.08011	15.1
147.08884	1.4
147.11696	37.5
147.12801	2.7
148.08823	1.9
149.09621	13.2
150.10445	1.8
150.12535	1.5
151.07565	17.0
153.09106	1.8
155.08521	7.6
156.09302	4.5
157.10150	18.0
159.08086	4.9
159.11697	9.8
161.09612	7.4
161.13293	3.4
163.11182	4.5
165.07076	2.7
165.07664	1.6
165.09122	30.0
167.08580	2.7
168.09331	3.0
169.10144	7.7
170.10915	2.9
171.08064	1.7
171.11690	6.2
173.09621	5.1
173.13268	5.9
175.11176	27.5
177.09102	4.3
178.09869	3.3
179.08589	2.5
181.10127	5.0
182.10931	2.1
183.11691	9.8
185.13293	3.9
186.10362	1.5
187.11234	4.5
189.12746	5.1
191.14355	2.3
193.10172	2.0
195.11699	3.1
196.12517	1.8
197.13304	3.3
199.11209	2.8
201.12750	8.0
201.16347	3.3
203.14310	11.5
207.11940	1.6
207.13799	7.4
209.13283	3.1
209.15280	2.5
211.11243	2.2
211.14879	4.8
213.12775	2.8
215.14294	1.7
216.15060	3.4
219.11752	1.9
219.13792	5.9
221.13145	3.0
221.15359	52.7
225.16345	2.2
229.15930	2.0
231.13870	3.8
233.49750	1.6
234.16188	17.1
243.13806	1.5
271.91986	1.4
286.19333	3.8
287.20090	6.4
300.20920	3.9
329.21014	3.9
391.26334	3.6
409.27371	24.8
410.27548	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03949	3.5
55.01871	3.2
55.05508	18.6
57.07065	4.7
58.60921	1.9
59.04999	2.2
64.46538	1.8
64.92976	1.9
65.03942	3.8
67.05501	20.0
69.03417	9.9
69.07061	5.1
69.96149	4.9
69.96555	7.0
79.05493	26.2
81.07050	32.3
83.04984	4.4
83.08608	2.9
86.90681	2.0
91.05482	36.5
93.07046	39.8
95.04965	51.7
95.08602	34.4
97.06528	6.0
98.21495	2.7
103.05476	4.6
105.07030	100.0
107.08590	22.7
109.06496	11.6
109.10149	7.2
115.05405	3.1
117.07034	16.9
119.08575	58.7
121.06510	18.2
121.10134	16.2
122.81731	2.3
123.02999	1.8
123.08076	19.3
128.06183	5.0
129.06998	8.3
130.07800	4.9
131.08571	23.9
132.09279	2.8
133.06479	5.7
133.10138	18.3
135.08051	13.9
135.11668	3.0
137.09613	9.5
141.06981	4.0
142.07784	12.7
143.08549	18.3
144.09320	3.8
145.10129	41.6
146.10852	1.9
147.08047	16.4
147.11671	37.9
149.09616	15.4
151.07523	18.5
153.09160	3.3
155.08524	9.5
156.09297	6.3
157.10147	21.2
159.08022	6.1
159.11693	16.5
161.09601	8.2
161.13278	4.9
163.11221	4.9
165.09128	36.7
167.08548	3.4
168.09360	3.5
169.10170	11.6
171.11691	13.4
173.09644	3.7
173.13258	7.8
175.11159	25.5
175.55464	2.6
177.09140	5.5
178.09834	3.0
181.10117	5.4
182.10866	5.6
183.11711	12.6
185.09599	2.1
185.13257	5.9
187.11145	4.7
187.14757	2.2
189.12746	5.0
191.14301	2.7
193.10109	2.2
195.11679	3.7
197.13252	5.5
199.11131	3.8
199.14584	2.8
201.12746	9.4
203.14297	13.7
207.13812	7.3
209.13220	4.8
211.14841	5.7
219.13786	4.4
221.13428	2.4
221.15355	64.2
227.14317	3.1
229.15900	5.9
231.13786	3.6
233.15356	4.4
234.16119	13.9
239.14412	2.5
249.16176	2.4
286.19147	5.4
287.20016	7.4
300.20724	5.5
307.23944	2.2
329.21143	4.0
391.26385	6.9
409.22528	2.7
409.27374	35.8
410.27887	2.2
430.66812	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01863	3.8
55.05509	18.0
57.07077	3.8
59.04992	4.3
67.05497	24.4
69.03423	11.0
69.07068	6.6
69.94688	19.7
79.05486	28.0
81.07055	37.8
83.04956	6.1
90.14302	3.7
91.05466	37.6
93.07040	51.9
95.04961	50.3
95.08598	34.9
97.06522	11.5
101.65826	3.4
105.07026	100.0
107.08602	24.5
109.06510	12.4
109.10152	14.5
115.05428	4.2
117.06995	15.9
119.08584	60.9
121.06498	19.9
121.10141	12.9
123.08042	24.1
128.06189	5.2
129.06993	9.9
130.07750	7.1
131.08568	22.3
133.06467	5.3
133.10120	29.4
135.08049	17.3
135.11655	5.9
137.09631	7.7
142.07744	14.3
143.08559	15.6
145.10123	47.1
147.08032	21.0
147.11681	44.6
149.09630	11.9
150.53172	3.6
151.07547	27.4
155.08533	6.3
156.09271	5.7
157.10115	27.1
159.08025	4.3
159.11700	15.8
161.09615	9.9
161.13251	6.5
163.11211	8.4
165.09135	41.6
168.09364	5.9
169.10124	12.7
171.11676	12.2
173.09648	6.5
173.13263	8.9
175.11177	25.5
177.04178	3.5
181.12262	7.7
183.11732	13.6
185.13277	7.3
187.11195	5.1
189.12772	8.0
195.11586	5.2
197.13269	5.0
199.14874	4.6
201.12767	12.0
203.14252	19.5
207.11813	3.6
207.13826	11.7
209.13385	4.5
209.15288	5.0
211.14807	7.0
219.13788	5.4
221.15361	63.8
229.16017	4.4
231.13762	6.5
233.15384	6.4
234.16153	12.3
253.15663	3.8
287.20078	9.0
329.20963	7.2
391.26114	6.5
409.27274	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.05513	22.5
57.07069	5.1
59.04994	3.2
62.01040	1.4
65.03941	1.9
67.05503	19.6
69.03416	8.1
69.07047	4.4
71.04976	2.2
79.05486	19.6
81.03439	1.5
81.07059	26.7
83.04967	4.2
83.08597	2.4
84.18356	1.6
85.06527	2.7
91.05475	35.1
93.06475	2.8
93.07042	37.2
95.04967	48.3
95.08607	25.3
97.06520	6.3
103.05492	2.3
105.07027	100.0
107.04963	1.8
107.08594	21.1
109.06514	10.8
109.10158	8.3
115.05439	2.9
116.06245	1.7
117.07022	10.9
119.04975	2.3
119.08579	62.7
121.06504	16.4
121.10139	11.8
123.08076	17.7
125.06001	2.9
128.06219	3.6
129.06998	6.5
130.07759	3.4
131.08559	18.6
132.09335	2.0
133.06458	3.9
133.10107	18.3
135.08032	15.2
135.11697	3.8
137.05888	2.2
137.09610	7.7
141.06978	4.5
142.07809	11.8
143.08574	14.1
144.09343	3.3
145.06461	2.2
145.10120	35.5
147.08055	15.4
147.11685	41.5
148.08717	1.4
149.09607	11.2
149.13336	1.7
151.07533	17.6
153.09103	2.7
154.07668	1.8
155.08551	5.4
156.09312	4.5
157.10139	16.4
159.08026	5.3
159.11705	12.4
160.08841	1.7
161.09619	7.6
161.13248	4.6
163.11176	4.4
165.09113	33.2
167.08510	3.1
168.09344	2.6
169.10133	9.4
171.11722	7.6
173.09636	5.2
173.13208	5.5
174.10265	2.7
175.11177	27.6
177.09048	5.0
178.09828	2.6
181.10100	4.4
182.10870	2.2
183.11681	7.0
185.09694	2.4
185.13225	6.1
187.11203	2.9
187.14735	1.8
189.12723	6.7
193.10211	2.7
195.11537	1.9
197.09674	1.8
197.13272	3.2
199.11171	3.4
201.12718	11.6
201.16412	2.6
203.14360	15.5
207.11864	2.7
207.13824	6.3
209.13390	2.9
209.15335	3.6
211.14841	5.0
213.12715	3.6
215.14278	2.2
216.14993	1.8
217.12227	2.2
219.13809	3.8
221.13362	2.3
221.15347	57.7
229.15877	5.9
229.28131	1.9
231.13763	2.6
233.13326	1.9
233.15401	2.8
234.16122	18.9
239.14378	2.0
239.17378	1.4
253.15927	2.2
266.62695	1.8
286.19394	3.3
287.19962	5.6
300.20941	4.1
325.21332	2.1
329.21133	3.8
391.26236	3.4
409.27310	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01860	2.2
55.05513	16.5
57.07074	8.7
59.05003	3.2
64.00785	1.9
65.03923	4.2
67.05509	22.7
69.03441	10.3
69.07054	9.4
69.49743	18.1
73.11141	2.0
79.05494	19.7
81.07056	37.9
83.04971	5.0
83.08626	2.9
85.06526	2.6
87.15903	1.9
88.38828	1.9
91.05479	39.7
92.40253	1.9
93.07040	47.8
94.70457	2.1
95.04967	48.2
95.08604	33.4
97.06519	8.4
103.05497	3.0
105.07027	100.0
107.08595	27.6
109.06490	13.3
109.10152	10.6
109.79810	2.0
115.05450	3.5
117.07037	12.1
119.08577	65.3
120.09344	2.1
121.06501	20.5
121.10127	16.6
123.08065	15.9
123.11657	3.6
128.06242	5.1
129.06999	9.4
130.07831	4.0
131.08562	23.2
133.06509	4.9
133.10135	21.9
135.08035	15.1
135.11664	2.4
137.09624	11.7
141.06924	4.9
142.07750	15.7
143.08568	20.8
144.09326	4.4
145.06464	3.4
145.10109	40.7
147.08032	19.5
147.11658	33.8
149.09599	11.1
149.13196	2.3
151.07559	23.1
153.09180	3.4
155.08577	7.9
156.09317	7.1
157.10135	21.2
159.08041	3.9
159.11668	14.3
160.08755	2.7
161.09627	7.0
161.13239	4.8
162.40947	2.2
163.11209	5.8
165.09111	34.6
167.08578	3.7
168.09322	3.9
169.10127	11.3
170.10843	3.0
171.11728	9.4
173.09656	5.8
173.13284	7.2
174.10428	2.9
175.11197	21.5
177.09085	2.6
177.12672	2.4
178.09929	2.0
181.10107	5.1
181.12286	2.9
183.11711	9.1
185.13287	7.2
187.11205	3.8
187.14890	3.7
189.12773	6.5
191.10606	2.3
195.11726	5.1
196.12607	2.2
197.13191	4.1
199.11224	3.7
199.14906	2.4
201.12689	6.9
201.16403	5.4
202.09566	2.4
203.14276	16.8
207.11942	2.9
207.13741	10.9
209.13376	2.5
209.15352	3.4
211.14832	4.7
213.12877	2.3
215.14326	2.2
219.13846	3.5
221.15353	77.6
229.15860	7.5
231.13736	3.6
233.15353	4.1
234.16135	14.0
243.13783	3.2
286.19202	4.5
287.20053	5.3
300.20892	6.0
329.21237	5.1
391.26199	4.0
409.27298	35.9
410.27478	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	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53613	0.6
55.05493	1.0
60.41355	0.5
62.76364	0.6
67.05485	2.4
67.72215	0.6
69.07043	0.8
69.64632	4.2
79.05494	1.3
81.07046	3.4
91.05482	1.1
93.07030	1.9
95.08595	2.5
96.55670	0.6
99.63905	0.6
105.07032	1.7
107.08584	1.6
109.06548	0.7
109.10150	2.1
119.08602	1.7
119.64510	0.6
121.10159	0.9
131.08601	0.7
133.10127	1.3
135.11725	1.3
145.10138	1.0
147.11671	1.4
154.19131	0.6
161.13255	0.7
213.18213	0.7
275.20035	1.1
409.25598	100.0
410.25961	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49323	0.3
57.48299	0.3
60.54931	0.3
67.05482	0.4
69.43482	2.7
70.06611	0.3
81.07041	0.4
85.02898	0.4
86.09720	0.4
89.65398	0.3
91.64670	0.3
93.07039	0.3
97.06546	0.3
107.08595	0.4
164.23425	0.3
165.45206	0.3
189.08846	0.5
229.11958	0.7
247.13086	0.8
285.09274	1.2
349.10220	0.3
362.11270	0.3
409.18311	100.0
410.18661	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	409.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	27.0
55.32000	12.1
56.05033	21.1
62.36261	11.0
65.14633	14.5
66.85381	11.9
67.05499	36.7
69.07063	13.1
70.06588	90.4
70.81361	32.0
70.81725	23.1
72.08154	34.6
76.02252	13.0
79.05499	26.0
81.07056	96.7
82.19962	12.4
84.04494	35.7
84.08159	17.6
85.02901	20.5
86.09705	40.2
88.98658	15.1
91.05489	54.2
93.07050	41.7
95.08620	81.2
98.09602	14.8
99.04437	15.3
105.06996	65.6
107.08571	38.7
109.02853	33.3
109.10155	35.4
116.01672	15.6
118.01186	12.0
119.08586	64.4
120.08135	28.0
121.10157	23.0
122.06056	14.0
123.11723	25.4
124.57294	10.9
130.04953	18.1
133.10146	58.5
135.11688	44.2
136.07579	18.6
137.09563	14.4
147.11699	38.5
148.52652	13.8
162.05510	99.4
163.14825	46.3
164.01720	26.0
165.16426	20.4
167.07057	14.6
175.14854	99.8
177.05551	13.2
190.98405	11.3
193.15904	57.4
200.14044	17.8
211.16965	100.0
225.30824	11.4
229.18047	34.9
247.19044	41.0
260.11319	16.2
261.10825	37.1
262.11160	58.3
284.98346	15.7
321.58240	14.1
331.08807	15.9
391.15262	15.0
409.10876	53.3
409.18777	97.7
410.18182	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	409.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	1.7
55.05507	23.7
56.05014	1.6
56.05838	6.6
57.03431	1.1
58.99583	14.3
60.99150	2.4
61.01138	1.2
64.47742	1.2
65.18809	1.1
67.01846	1.1
69.14716	1.0
70.81396	1.2
70.81719	1.8
72.08128	1.9
73.01119	1.4
76.02227	6.9
76.03989	2.9
78.01787	3.3
81.07061	1.8
83.06100	1.3
83.08616	19.7
84.04495	19.5
84.08941	10.3
85.01104	1.1
85.04823	3.4
86.09676	1.9
86.99038	8.4
88.02190	2.5
88.98618	2.1
95.08549	1.5
98.09698	1.2
101.09656	1.9
102.05520	2.0
107.08556	1.5
116.01665	40.1
116.02497	2.0
117.02084	10.0
118.01192	2.6
120.08096	1.9
129.06581	3.3
130.04993	3.5
131.05333	1.1
136.07564	2.1
137.65915	1.1
142.03214	2.0
144.01125	12.8
145.01505	6.5
157.10475	1.1
158.07942	1.4
159.08397	13.5
160.08708	13.3
161.07025	1.7
162.02190	61.9
163.02550	24.6
164.01730	5.4
164.06964	1.1
181.04387	1.3
198.19456	1.1
199.08681	2.5
200.09544	1.2
211.08643	4.6
211.12001	1.2
212.09308	1.5
213.10147	2.1
215.04446	1.2
215.11774	1.8
217.09711	2.2
225.10136	5.1
229.09637	1.4
231.11353	1.1
237.10031	1.1
239.08151	7.6
239.11763	5.7
240.08812	2.6
241.09698	4.9
242.10460	1.4
243.07643	1.7
243.11244	7.8
247.05685	1.1
252.09099	1.3
253.09602	5.6
257.09064	2.1
258.09955	1.6
259.10721	4.2
260.11414	2.4
261.10724	3.8
262.11029	24.6
263.11389	27.3
264.10968	2.0
267.07599	2.0
267.11191	6.1
268.08395	6.6
269.09171	1.5
269.12579	1.6
271.10724	27.8
273.12366	2.3
275.10153	1.8
277.11880	3.1
279.13712	3.3
280.14035	6.6
281.09326	1.3
285.08853	1.9
285.12274	4.7
289.11826	2.1
295.10736	5.3
300.11133	1.3
303.13266	1.6
313.11703	4.7
317.11292	1.2
318.12238	1.5
323.10294	9.0
327.13312	1.3
332.87405	1.2
333.14670	1.9
334.15140	11.3
335.12463	3.0
341.11310	13.9
345.14383	2.6
349.14041	1.4
355.12811	4.4
359.12286	2.4
373.13904	11.3
377.13284	1.5
391.14896	25.7
409.15985	100.0
410.16064	2.5
424.62234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27990	2.7
53.03943	2.8
54.14394	2.6
55.01866	7.5
55.05515	5.2
56.05028	3.9
67.05488	3.3
69.03429	4.7
69.98021	5.7
69.98409	7.5
70.06589	4.9
70.55595	2.4
73.02901	2.6
80.05804	3.9
81.07047	4.2
84.04507	18.5
84.08128	5.0
85.02885	7.2
86.09725	6.2
87.04444	3.0
91.05457	3.7
93.07033	3.6
95.01318	28.4
95.04903	2.8
95.08591	3.4
97.02869	3.3
98.06062	3.8
98.97569	2.8
100.07601	2.6
105.07037	4.7
107.08572	5.2
110.07125	3.4
111.00816	4.1
112.03949	3.6
116.98605	3.8
119.08576	5.1
120.04367	2.7
120.08076	3.7
120.27569	2.8
125.09673	3.2
126.05495	6.2
130.04997	3.6
130.06522	50.3
132.04437	38.4
133.10141	4.2
143.06004	3.3
146.06062	16.2
155.06049	7.8
156.04433	4.0
156.06802	4.4
157.07596	81.5
158.06024	25.7
159.05566	4.8
159.09280	3.0
161.13213	4.3
168.10960	3.2
169.07585	13.4
173.07127	8.7
174.07814	3.1
175.08719	15.5
175.11118	3.3
176.07037	2.6
176.14401	4.2
183.05521	3.2
184.03850	2.5
184.06294	7.9
185.07082	59.0
196.07584	4.2
197.07121	7.7
199.04936	3.2
201.06618	9.3
202.07349	8.4
203.08162	47.7
205.07556	4.4
211.05066	6.5
211.08546	4.7
213.06641	8.3
215.04503	9.5
215.08205	5.4
223.08574	21.7
225.06569	4.9
229.06076	8.6
231.07709	7.2
241.06070	33.4
243.07657	7.8
247.07094	4.5
251.08151	11.5
253.06100	17.3
257.09213	7.6
259.07175	20.0
267.07602	9.3
269.09210	4.7
271.07101	36.1
277.06015	4.6
279.07532	8.2
285.05283	4.8
285.08643	13.8
287.06628	54.0
287.09836	5.2
289.08221	7.2
295.07224	3.1
299.06720	19.0
303.09702	28.9
305.05307	4.3
313.08142	14.2
315.09500	3.5
317.07620	8.1
323.06586	5.2
331.09256	59.7
341.07611	7.1
347.22531	5.0
349.10263	3.3
359.08728	81.3
359.75809	2.9
360.08881	5.6
365.11774	5.8
377.09729	100.0
378.10046	4.5
409.11234	6.9
409.18259	61.9
424.08771	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	409.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	18.0
60.82293	4.8
71.27634	11.1
90.45226	4.8
96.14325	5.4
98.97549	5.8
116.98624	11.7
117.03332	5.9
119.01938	35.4
131.01918	13.4
132.51140	5.8
133.03442	16.0
134.99690	7.6
143.01915	16.8
145.03545	11.9
155.01929	6.7
157.03479	6.9
161.02953	33.5
163.04552	8.5
173.03004	22.5
175.04457	7.5
177.05501	16.6
187.00821	10.8
188.97011	6.0
189.02429	11.7
191.03967	6.1
197.03035	8.0
217.01967	15.3
231.03706	12.0
233.02742	14.7
239.03719	5.8
247.02937	5.8
253.07616	6.7
259.02896	5.9
275.02411	6.2
289.03998	20.3
301.04208	10.1
303.09280	7.2
307.05164	27.9
316.97946	7.8
319.05038	10.7
321.10339	9.2
356.37665	6.1
365.08545	10.1
391.08105	7.1
409.07336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01871	6.7
55.05498	6.1
55.98298	1.2
57.03426	6.4
58.66982	1.4
60.16491	1.1
61.02910	3.9
67.05483	3.8
68.99789	2.7
69.03081	2.3
69.03427	32.3
69.07066	6.8
70.06568	1.5
70.20341	6.7
71.04974	4.5
73.02895	5.1
79.05483	3.4
81.03416	21.7
81.07049	7.8
82.07370	1.8
83.04951	2.0
83.08598	2.6
85.02903	100.0
87.00820	30.6
91.05448	4.5
93.07036	4.3
95.08629	8.8
97.02888	27.8
97.06551	1.7
97.10211	1.5
98.97619	2.2
99.04450	12.9
105.01862	52.1
105.07028	11.7
106.07342	2.3
107.08572	4.4
108.04498	1.5
109.02881	23.4
109.10126	4.1
110.10442	2.4
117.01839	3.0
119.08561	5.3
121.10122	4.6
123.11667	3.1
124.67958	1.4
127.03913	67.9
129.01839	3.5
131.08580	1.9
132.54250	1.4
133.10098	4.8
134.10535	1.3
135.07994	2.7
135.11694	3.4
137.13228	2.3
145.04955	29.0
145.10098	2.9
147.02876	2.7
147.11655	2.9
151.07555	3.2
153.12749	1.9
159.02899	14.2
159.11673	1.8
163.14755	1.3
183.13852	1.7
185.45613	1.9
185.47398	1.4
187.14664	1.7
189.03949	3.9
189.16414	2.2
190.12573	1.3
201.16380	2.1
213.03958	2.4
231.04980	17.5
249.06129	3.9
251.16420	4.2
337.16403	3.8
408.25266	5.1
408.32101	1.5
408.37012	6.0
409.25601	1.6
433.09445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01862	7.3
55.05510	24.7
57.07064	4.7
67.05493	19.9
69.03423	24.2
69.07055	8.9
69.39118	4.2
70.06595	8.4
71.56739	5.2
71.57186	5.2
72.08145	7.2
79.05483	40.4
80.05016	4.8
81.03399	10.8
81.07045	21.4
83.04978	9.2
83.08627	13.3
84.04494	7.7
85.02905	10.9
85.06544	10.9
86.09688	23.3
87.04480	10.2
91.05482	33.9
93.07055	24.5
94.02895	6.3
94.06548	6.3
95.04964	23.8
95.08608	8.0
96.04462	6.3
97.02866	5.8
97.06541	7.9
100.11263	5.7
103.05443	5.2
105.07018	81.6
107.04968	21.0
107.08582	41.6
109.06510	15.2
109.10135	8.4
110.06042	11.4
114.01889	10.0
115.05468	6.8
115.31290	4.5
117.07005	11.6
118.06496	5.4
119.08569	52.9
120.08112	15.9
121.10141	21.9
123.08051	20.5
124.03938	6.3
124.07558	13.5
125.09636	5.7
128.03430	5.7
128.06233	5.7
129.06984	15.0
131.08565	56.3
133.06444	15.1
133.10110	52.0
134.06044	9.4
135.08090	5.9
136.06187	16.7
136.07526	10.6
137.09586	8.7
140.03438	7.9
141.07016	5.5
142.07758	25.8
143.08531	12.7
145.10123	43.9
146.09663	6.7
147.08095	7.9
147.11687	66.7
149.09657	9.6
151.07518	20.1
152.03391	6.3
153.01810	36.2
154.04977	6.8
155.08514	5.2
156.09335	6.7
157.10127	49.2
158.04521	5.0
159.08028	7.2
159.11676	8.2
160.07596	6.5
162.05508	6.1
166.05058	5.7
167.08591	10.2
168.06572	4.5
169.10091	6.4
171.11766	4.9
173.09688	6.1
173.13263	15.9
173.94368	5.7
175.11166	81.3
178.05029	19.2
180.06537	11.1
182.10869	13.7
182.15439	8.3
187.14861	12.7
188.05519	16.5
188.10669	7.9
189.12724	10.3
191.14281	11.0
197.13211	24.1
203.53970	4.6
204.06601	4.6
207.13821	18.7
215.14287	75.6
228.08504	5.2
233.15234	28.8
240.08624	6.8
250.17894	6.2
252.08586	23.2
254.10361	5.7
267.15860	10.7
270.09558	11.5
276.12350	8.6
298.14359	14.0
300.15866	10.0
306.16815	6.1
316.15500	8.9
318.16937	11.6
334.16434	23.4
344.18466	6.7
346.16412	15.3
350.16025	10.0
364.17496	14.2
372.18100	32.7
373.03751	5.9
390.19052	30.7
392.78705	4.5
408.20035	100.0
408.24948	6.1
408.32098	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03937	3.4
55.05514	20.7
57.07063	8.0
64.54948	2.9
67.05508	34.0
69.07064	29.1
79.05487	16.9
80.50724	2.5
81.03400	3.0
81.07053	73.0
83.08613	14.4
86.09697	4.9
91.05472	23.2
93.07034	36.4
95.04957	12.1
95.08607	96.2
97.06512	5.6
97.10175	8.8
105.07024	38.7
107.08592	56.0
109.06585	3.3
109.10157	53.4
111.08126	2.6
117.06979	7.1
119.08578	41.7
121.10152	40.5
123.11691	28.4
125.09644	3.7
129.07028	4.3
131.08604	16.9
133.10126	35.6
135.11684	24.9
137.13252	24.3
143.08548	7.9
144.09334	4.0
145.10126	27.0
147.11670	18.4
149.13219	20.7
151.14879	3.1
157.10136	13.6
159.11678	23.6
161.13300	21.9
163.14809	17.8
171.11728	9.4
173.13307	11.4
175.14885	9.4
177.16367	23.0
185.13219	6.9
187.11404	2.8
187.14867	15.0
189.16377	19.8
191.17969	17.7
201.16368	26.7
203.17960	27.4
205.19545	7.4
211.14853	4.2
213.16307	5.2
215.17978	17.9
217.19464	14.7
224.75771	3.4
227.17995	8.2
229.19571	10.7
230.01918	5.2
231.21111	8.6
241.19435	5.5
243.21086	4.2
245.22549	4.0
255.21167	10.4
257.22720	13.5
269.22675	20.7
271.24310	6.3
283.23999	5.0
297.25693	3.1
309.15829	2.9
355.04004	3.3
404.56866	3.6
407.36798	100.0
408.32159	3.4
408.37057	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	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15741	1.4
53.03950	2.1
55.01876	3.2
55.05509	17.7
57.07074	8.8
62.09815	1.3
63.32478	1.3
67.05505	30.8
69.07066	30.9
70.06641	1.4
71.08626	1.7
71.57070	2.0
72.08158	1.5
76.53547	1.4
79.05488	17.6
81.07055	64.6
81.07526	3.4
83.04981	1.8
83.08616	13.5
85.02913	1.8
91.05482	18.8
92.09161	1.4
93.07037	38.7
95.04986	5.4
95.08604	100.0
96.08965	1.6
97.06554	2.2
97.10141	8.3
105.07022	47.8
107.04938	1.8
107.08595	47.5
109.06569	3.4
109.10157	65.5
111.08089	1.9
111.11765	4.4
117.07061	6.3
119.08578	44.8
120.08098	1.4
120.08978	1.8
121.06508	2.7
121.10143	46.5
123.11694	29.7
128.06204	2.8
129.07010	4.1
130.05040	2.3
131.08566	16.9
133.06438	1.7
133.10123	41.8
135.08069	2.4
135.11690	28.3
137.09636	3.0
137.13246	21.5
139.48251	1.5
142.07896	2.0
143.08546	9.8
145.10118	23.4
147.11674	27.3
149.09607	1.9
149.13249	21.6
155.08582	3.3
156.09419	2.6
157.10114	12.9
158.10953	2.3
159.11700	25.4
161.13245	25.9
161.14436	2.2
163.14809	16.8
169.10170	4.2
171.11676	9.4
173.13260	18.4
175.14806	15.7
177.16382	21.6
179.17967	3.2
183.11699	3.3
185.13322	6.9
187.14845	18.8
189.16373	26.0
190.17094	1.8
191.17943	17.3
195.11890	1.8
197.13271	4.0
199.14842	8.8
201.16374	22.5
202.00392	1.8
203.17931	27.9
205.19470	8.2
209.13315	1.9
211.14818	3.2
213.16354	7.9
215.17966	16.1
215.19691	1.8
217.19504	17.6
217.88307	1.5
227.17989	7.7
229.19513	14.1
231.21144	4.5
239.18045	2.2
241.19437	7.8
243.21199	6.6
245.22765	3.3
255.21121	15.4
257.22696	10.4
265.19604	2.3
269.22656	19.1
271.24271	5.6
283.24133	3.6
297.25943	5.9
351.30515	2.9
365.31851	2.5
389.31958	2.0
407.24948	12.0
407.36920	95.3
408.37277	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03952	1.4
55.01868	2.0
55.05515	16.4
57.03426	1.4
57.07070	6.6
65.03929	2.5
67.05500	27.7
69.03433	2.9
69.07066	27.4
69.93918	6.5
70.06580	2.1
71.04998	1.5
71.08608	1.6
79.05491	15.3
81.03418	2.0
81.07055	68.6
83.04944	2.1
83.08624	11.2
85.02879	1.8
86.09683	2.9
87.62232	1.5
91.05476	17.5
93.07043	31.1
95.04969	5.2
95.08605	100.0
96.08964	2.4
97.06525	2.6
97.10188	8.9
103.05440	2.0
105.07026	39.2
105.07677	2.7
105.69572	1.5
107.04963	1.8
107.08592	48.1
109.06519	3.8
109.10154	62.7
111.11687	3.8
115.05471	1.6
117.07018	5.4
119.08578	45.2
120.08125	2.1
121.06477	2.3
121.10142	36.2
123.11703	28.7
128.06219	1.7
129.06990	3.3
131.08563	12.8
133.10127	38.0
133.11096	2.8
135.11679	25.2
137.05981	3.5
137.13254	21.5
141.06995	2.8
142.07765	2.3
143.08578	9.0
145.10127	20.3
147.04437	1.7
147.11688	22.9
148.32721	1.8
149.13249	18.5
151.14867	3.9
155.08575	1.8
156.09334	1.8
157.10109	8.7
159.11697	24.6
161.13260	20.1
163.14815	15.5
169.10112	2.8
170.10870	1.6
171.11697	9.2
173.13281	13.0
175.14850	12.7
177.16368	21.1
179.17879	1.9
183.11714	2.7
185.13240	8.0
187.14772	13.9
189.16370	22.2
190.53427	1.6
191.17931	17.1
197.13208	2.4
199.14836	6.5
201.16360	27.5
203.17949	33.4
203.19733	2.7
204.18198	1.5
204.75835	1.4
205.19557	5.6
211.14786	2.0
213.16435	4.8
214.76901	1.8
215.17915	17.6
215.19536	1.4
217.19489	21.0
219.21117	2.9
227.17981	6.3
229.19493	12.3
231.21120	6.0
239.18130	2.2
241.19518	10.0
243.21107	8.7
245.22581	1.9
255.21078	10.5
257.22598	11.5
269.22610	15.3
271.24277	3.3
283.24188	5.4
297.25903	3.3
311.27496	2.3
313.28830	2.0
323.27109	1.9
337.28989	1.8
351.30569	2.1
389.23828	2.3
407.14749	2.3
407.25577	6.8
407.36798	94.1
408.37241	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03948	2.7
53.15881	1.3
55.05504	12.9
55.05738	2.3
57.07076	7.5
67.05497	29.6
69.07067	23.0
69.69083	3.7
69.69498	7.5
79.05489	12.5
81.07055	61.5
81.66609	1.5
83.08622	10.5
84.74112	1.4
91.05471	10.8
93.07034	27.7
95.08601	100.0
97.10155	6.8
105.07025	31.4
107.08589	39.3
109.06520	1.8
109.10146	55.6
110.10427	1.4
111.11720	3.5
117.07055	4.2
119.08579	39.6
121.10140	37.2
123.11703	28.5
125.13236	1.4
129.06998	2.7
131.08560	8.8
133.10123	34.1
135.11693	25.6
137.13252	20.5
143.08571	5.9
144.09329	1.8
145.10117	15.2
147.11694	21.7
149.13254	17.5
151.14824	2.7
157.10135	6.2
159.11696	19.2
161.13261	20.0
163.14822	15.4
171.11722	6.2
173.13268	12.5
175.14828	11.6
177.16380	16.6
183.11662	1.5
185.13345	5.9
187.14836	11.9
189.16379	18.2
191.17937	17.9
199.14879	4.9
201.16371	18.2
203.17958	29.9
205.19554	5.5
213.16368	6.1
215.17940	12.4
217.19490	21.5
219.21010	1.7
227.17975	6.2
229.19447	13.2
231.21014	7.4
241.19479	6.8
243.21188	6.7
255.21146	11.5
257.22690	10.2
257.25226	2.0
269.22653	14.0
271.24310	4.0
283.24332	4.7
297.25903	3.5
323.27487	1.8
337.28964	2.9
351.30524	3.8
407.24667	4.1
407.36823	81.7
408.37326	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05511	14.1
57.07076	7.2
60.26377	1.6
67.05505	28.4
69.07067	28.8
71.08612	1.7
71.30662	2.3
71.30994	2.7
79.05495	10.9
80.12166	1.4
80.63691	1.3
81.06581	3.6
81.07056	53.9
83.08609	16.3
91.05468	13.0
93.07046	27.6
95.04979	2.4
95.08604	100.0
97.10172	6.8
105.06348	0.9
105.07021	27.4
107.08591	38.4
109.10152	61.8
111.11716	5.9
117.06984	4.2
119.08570	38.1
121.10145	33.9
123.11705	30.7
124.12061	1.7
129.06941	1.9
131.08568	11.8
133.09128	2.4
133.10130	35.2
135.11682	29.4
137.05962	4.2
137.13242	20.0
143.08585	5.1
145.10109	21.7
147.11682	27.7
149.13252	16.9
150.12851	1.4
151.14813	5.1
155.08656	2.1
156.09328	1.7
157.10120	10.4
159.11687	22.8
161.13245	22.6
163.14839	15.1
169.10081	2.2
171.11674	5.6
173.13232	18.4
175.14859	14.4
177.16386	16.7
179.17924	3.8
183.11624	1.7
185.13222	5.3
187.14799	15.5
189.16385	18.6
191.17947	18.9
197.13312	3.4
199.14781	4.8
200.15547	1.5
201.16415	19.9
203.17969	29.1
203.19753	2.9
205.19540	6.7
211.14839	1.6
213.16437	6.7
215.17937	18.8
217.19493	19.9
221.09515	1.7
227.17999	5.9
229.19493	16.5
231.21048	8.4
239.18053	2.0
240.18449	1.6
241.19585	9.0
243.21146	9.1
253.19691	2.1
255.21100	19.5
257.22589	13.7
269.22610	14.5
271.24203	2.3
283.24188	5.2
297.25787	6.6
309.83844	1.8
311.27600	2.4
323.27380	3.3
337.28845	3.4
351.30411	2.0
364.30878	1.7
407.15271	3.0
407.24539	13.0
407.36758	94.4
408.24905	1.8
408.37543	3.5
410.99728	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05511	15.1
57.07052	5.1
64.23764	1.5
67.05495	25.1
69.07066	29.5
69.93064	2.7
69.93479	6.7
79.05486	14.3
79.59701	1.7
81.06583	3.4
81.07048	60.3
83.08626	11.3
91.05473	9.5
93.07033	30.1
95.04965	2.4
95.08600	99.9
97.10149	6.9
104.14838	1.6
105.07026	31.1
105.07703	3.3
107.08585	44.4
109.10146	66.8
110.10502	1.9
111.11689	4.3
115.05473	1.7
117.07009	2.6
119.08575	43.8
121.09324	3.2
121.10139	39.8
123.11699	31.2
131.08548	11.7
133.10117	35.5
133.38998	1.8
135.11679	27.0
137.13245	20.1
141.67776	1.7
143.08533	6.3
145.10098	20.5
147.11676	27.2
149.13254	19.1
151.14830	6.2
157.10117	7.5
158.10889	2.6
159.11667	21.1
161.13255	23.6
163.14816	17.2
171.11725	9.5
173.13240	12.7
175.14830	12.0
177.16379	21.0
179.18005	2.1
185.13293	5.1
187.14830	13.5
189.16345	18.4
190.59500	2.1
191.17947	20.3
199.14830	4.7
201.16373	21.6
203.17944	27.5
205.19481	7.4
213.16408	7.4
215.17935	14.4
217.19479	23.1
227.17981	7.0
229.19519	15.8
231.21059	6.0
241.19582	6.9
243.21066	9.6
245.22614	1.9
255.21004	15.5
257.22552	13.3
269.22662	15.9
271.24246	4.0
283.24161	8.7
295.23917	1.8
297.25708	6.0
311.27322	2.8
321.16400	1.9
337.28979	2.2
407.24094	32.9
407.36710	100.0
408.24460	3.3
408.37042	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	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01869	1.6
55.05502	16.6
57.03416	1.7
57.07070	7.1
65.03927	2.1
67.05170	2.9
67.05502	30.9
68.40134	1.5
69.07067	31.9
70.17726	6.2
79.05484	20.8
81.07052	67.0
83.05001	1.9
83.08606	14.7
87.05617	1.5
88.34316	1.4
91.05475	19.4
93.07030	32.6
95.04980	7.0
95.08600	100.0
96.08936	2.6
97.10165	7.3
98.21442	1.4
105.07019	41.7
107.04940	15.6
107.08585	52.0
109.06489	2.6
109.10149	61.7
111.11724	3.8
115.05479	3.8
117.07030	5.9
119.08574	42.0
121.10131	40.8
123.04428	20.9
123.08118	2.3
123.11694	31.7
124.04803	2.0
125.06057	3.1
129.07001	4.4
131.04984	3.6
131.08540	13.0
133.06419	6.3
133.10118	39.6
133.11081	2.6
135.08098	1.5
135.11682	29.5
137.05968	51.9
137.13242	19.2
138.06314	2.9
142.07764	1.6
143.08519	8.5
144.09319	2.8
145.10110	22.5
147.04402	5.5
147.08029	2.5
147.11678	26.9
148.05200	5.1
149.05981	4.0
149.13268	21.8
150.13609	1.7
151.14751	1.5
155.08601	2.5
157.10107	8.3
157.89726	1.6
159.11696	24.0
160.12476	1.7
161.06000	5.1
161.13242	20.7
162.06764	9.8
163.07578	8.0
163.14810	15.8
169.10205	2.9
171.11661	8.1
173.13255	18.1
175.07481	2.1
175.14787	13.8
177.16399	18.4
183.11696	3.5
185.13284	7.7
187.14801	17.8
189.16370	19.3
191.17938	18.2
192.18307	1.5
197.13345	3.2
199.14830	5.5
201.16362	23.2
203.17946	32.6
203.19734	2.2
205.19624	5.8
211.14975	2.2
213.16400	6.7
215.17902	15.0
217.15984	2.6
217.19479	18.8
225.09151	3.0
225.16412	2.8
227.17987	5.2
229.19533	14.3
231.21136	4.8
239.10596	1.8
239.18060	3.2
241.19487	7.5
243.21078	8.0
247.08585	1.8
253.08586	3.0
253.19528	2.2
255.21054	13.0
257.19208	1.4
257.22589	11.8
269.22635	16.0
271.09741	6.7
271.24255	2.8
283.24237	6.2
285.11240	21.4
286.11633	2.7
297.25769	3.2
318.24231	1.7
323.27548	2.4
337.28903	1.5
351.30365	1.8
365.32092	1.6
389.31827	1.7
407.14941	68.7
407.24658	9.3
407.36847	90.0
408.15240	11.7
408.37073	4.0
430.88919	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.36215	2.4
52.49560	2.3
55.05511	17.3
55.42785	2.0
57.07069	5.9
61.59385	2.2
63.25641	1.9
67.05498	26.6
68.50999	2.0
69.07063	27.1
69.29844	26.9
79.05080	2.4
79.05473	12.8
81.07054	57.7
83.08610	14.8
91.05447	11.6
93.07047	28.9
95.04927	3.4
95.08601	100.0
97.10175	7.7
105.07031	31.6
107.08593	43.8
109.10155	60.8
111.11708	4.2
117.07019	4.5
119.08582	39.5
120.50901	2.5
121.10141	37.9
123.11719	33.3
129.07011	3.5
131.08583	12.2
133.10110	37.8
135.11691	27.1
137.05913	3.9
137.13237	21.2
143.08565	7.1
145.10112	20.9
147.11685	24.6
149.13245	18.1
151.14799	6.2
157.10167	9.4
159.11665	26.4
161.13249	18.9
163.14764	12.9
171.11696	8.6
173.13287	18.4
175.14827	11.5
177.16341	17.2
179.17961	3.7
185.13213	4.2
187.14783	12.9
189.16382	19.3
191.17924	20.0
197.13452	3.2
201.16403	18.4
203.17950	27.6
205.19604	5.2
213.16464	7.8
215.17943	14.4
217.19519	19.0
219.21059	3.5
226.16875	2.3
227.17952	6.1
229.19499	13.6
231.21078	7.8
233.71904	2.6
241.19530	6.5
243.21175	7.9
244.91856	2.4
255.21072	18.1
257.22638	16.0
269.22659	14.8
271.24240	4.0
283.24298	6.2
297.25854	5.2
323.27478	3.4
351.30280	2.9
373.08923	2.6
407.24963	3.8
407.31625	4.9
407.36765	90.8
408.37137	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03923	2.3
55.05503	14.2
57.03419	1.8
57.07056	5.6
64.88979	1.5
67.05499	27.8
67.42645	1.2
68.05833	1.3
69.07064	30.9
71.08617	1.4
71.58465	2.6
79.05497	13.2
81.07051	58.9
83.08619	13.2
84.08160	1.7
91.05473	13.6
93.07038	31.4
95.04940	3.8
95.08600	96.6
96.08916	1.6
97.10154	6.2
103.05451	1.8
105.07025	32.3
107.08580	47.0
109.10143	62.2
111.11679	3.4
117.06991	6.1
119.08568	40.3
121.10132	39.9
121.11018	1.3
121.40534	1.5
123.11691	32.6
124.12093	1.4
129.06973	1.7
130.07727	2.2
131.08549	14.5
133.10117	35.9
135.11681	24.8
137.13245	21.5
142.07758	1.9
143.08557	5.5
144.09364	1.6
145.10117	21.2
147.11671	24.0
149.13240	21.5
151.14784	2.7
156.09442	1.6
157.10098	6.4
158.01730	1.4
158.10884	2.6
159.11688	25.0
161.13243	22.5
163.14815	13.3
165.16393	1.2
169.10172	1.5
170.10953	1.4
171.11725	8.9
173.13239	14.9
175.14827	13.9
177.16388	19.1
179.17960	2.8
181.10025	1.9
183.11650	2.2
185.13324	6.5
187.14772	12.0
189.16385	20.1
191.17943	19.3
192.18289	1.3
199.14819	5.7
201.16376	20.0
203.17946	29.1
205.19519	7.4
205.84091	1.5
211.14790	2.5
213.16367	8.9
215.17924	15.0
217.19472	19.9
219.21007	2.5
227.17955	6.2
229.19479	12.7
231.21033	8.4
241.19495	4.1
243.21138	8.2
245.22676	3.5
255.21048	12.5
257.22647	11.6
267.45123	1.9
269.22598	12.6
271.24249	4.4
283.24203	5.8
297.25729	6.4
311.27133	1.6
323.27292	2.0
325.28876	2.4
328.48911	1.3
337.28781	1.9
351.30511	2.7
365.32126	2.6
405.80386	1.4
407.27762	4.2
407.36703	100.0
408.37064	5.5
416.27383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03435	5.1
57.07074	7.1
65.79694	0.5
66.93050	0.5
67.05493	2.3
69.07063	1.2
70.83223	1.4
71.08622	4.1
76.19659	0.5
77.64156	0.4
81.07052	1.9
83.08617	1.6
85.10172	1.8
95.08598	3.7
95.28542	0.5
97.10187	0.6
109.10152	2.1
113.00010	100.0
123.11748	0.5
131.01045	0.9
142.51765	0.6
169.02603	96.6
170.02977	0.7
239.23715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2792
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.03950	7.1
55.05501	28.8
67.05502	56.2
69.01247	9.4
69.03429	10.2
69.07071	22.3
69.23907	10.6
69.24250	100.0
77.10176	8.0
79.05492	48.4
81.07055	66.0
83.05010	9.8
83.08610	22.1
83.51244	8.6
91.05471	75.2
93.07040	64.6
95.04972	27.8
95.08595	68.1
97.06541	10.7
97.10165	12.8
105.07035	80.5
107.08564	37.3
109.10184	46.1
117.07008	22.6
119.08580	65.8
121.06478	10.9
121.10170	24.5
123.11720	17.3
128.06284	10.9
129.07016	18.9
131.08554	55.3
133.10147	33.3
135.11713	16.8
143.08568	22.1
145.10098	38.8
147.11707	10.7
148.19691	6.9
155.08592	8.9
155.98172	9.7
159.11661	20.2
169.10155	12.3
171.11702	13.2
181.10168	12.5
183.11771	12.4
185.13249	11.9
199.14804	10.1
201.64938	7.8
203.17976	13.5
208.93912	8.1
217.19589	9.0
343.26318	12.8
351.91681	8.0
353.24780	16.3
371.25809	31.7
389.21729	15.2
389.26859	59.6
407.25403	10.4
407.36807	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
59.84486	0.9
60.40777	0.8
67.05491	2.1
69.07052	2.5
69.89669	5.5
79.05511	1.5
81.07029	2.8
83.08598	1.0
84.08131	8.0
90.42412	0.9
91.05465	1.8
93.07034	3.2
95.08617	4.6
97.10154	0.9
105.07052	2.6
107.08581	4.1
107.43468	0.9
109.10133	1.8
117.75662	1.0
119.08562	2.1
121.10150	2.9
123.11675	1.0
131.08548	1.0
133.10146	2.8
135.11696	1.2
145.10155	1.7
155.77769	0.9
157.10139	1.4
159.11708	1.5
167.15839	0.9
169.12460	0.9
183.10440	0.9
201.16370	1.2
203.17957	1.2
217.19495	1.2
252.99863	1.5
253.75986	1.1
321.16641	4.4
348.67599	1.0
401.33920	1.0
407.24020	100.0
407.36432	3.0
408.24207	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	407.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
55.49407	0.5
57.03442	4.9
57.07075	7.2
67.05498	2.0
67.83127	0.6
69.07045	1.4
69.49426	5.1
71.08622	4.5
79.63782	0.6
81.07057	2.8
83.08613	1.7
85.10179	2.1
95.08589	4.2
97.10165	0.8
98.21498	1.3
109.10155	1.2
111.11788	0.5
113.00012	100.0
123.11655	0.6
131.01050	1.5
139.01476	0.6
154.02708	0.6
169.02606	94.8
220.76906	0.5
239.23737	0.7
252.35674	0.6
426.79584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
57.01136	0.9
57.07072	2.5
61.72848	1.0
67.05499	7.5
69.07070	6.6
79.05474	3.5
81.07059	13.7
83.08588	3.2
87.01703	1.0
91.05464	3.3
93.07038	8.3
95.08602	18.9
97.10177	1.7
104.77792	1.1
105.07039	8.0
107.08598	9.0
109.06503	1.2
109.10162	12.8
119.08577	7.9
121.10155	8.4
123.04433	0.9
123.11726	4.9
131.08542	2.6
133.10129	6.4
133.50696	0.8
135.11703	5.0
137.05975	3.0
137.13231	4.3
143.08546	2.4
145.10127	3.8
147.11690	4.9
149.13257	3.7
154.20572	0.8
157.10083	1.7
159.11671	5.8
161.13220	5.2
163.14801	2.6
173.13266	2.7
175.14825	1.8
177.16360	2.6
185.13225	1.0
189.16385	2.6
191.17981	3.6
201.16389	2.3
203.17853	4.6
213.16310	1.5
215.18033	3.2
217.19588	3.6
229.19525	2.5
231.21056	1.3
243.21155	1.9
255.20999	2.2
257.22473	1.5
269.22598	2.3
285.11139	1.1
407.15042	3.7
407.24017	100.0
407.36508	14.5
408.24451	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	407.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.0
56.96566	17.4
57.78495	9.1
67.05489	52.0
67.24010	9.4
69.07047	24.2
71.52580	8.6
76.84383	9.4
79.05499	30.0
79.91930	8.8
80.40068	8.8
81.07034	54.9
82.65343	11.4
83.08591	14.4
84.08170	10.7
91.05473	26.1
93.07041	40.9
95.04977	10.8
95.08604	100.0
95.09175	13.0
96.54533	9.5
105.07024	44.1
107.08598	49.6
109.10158	52.4
112.99973	11.0
114.02372	9.7
119.08558	38.5
121.10135	46.6
123.11722	28.3
131.08612	20.8
133.10117	38.1
135.11684	20.3
137.13232	15.7
137.18669	9.9
145.10117	18.0
147.11678	28.2
149.13281	17.4
157.10132	15.6
159.11726	23.2
161.13315	17.7
163.14781	10.2
171.11670	13.5
173.13223	16.0
177.16438	16.7
185.13239	9.3
187.14989	11.8
189.16382	14.6
203.17943	28.9
217.19495	17.0
229.31001	12.2
257.22537	11.3
263.27814	10.1
269.22534	12.5
322.60373	10.5
389.23035	36.0
407.24329	50.8
407.37033	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83480	1.9
67.05493	5.4
69.03426	2.7
69.07059	3.6
70.06581	2.0
70.43636	7.7
71.04979	3.9
72.29468	2.0
76.02221	2.5
77.23682	2.3
79.05505	6.7
81.03406	5.4
81.07059	24.8
84.04479	3.1
85.02895	14.4
85.06535	5.6
91.05470	7.8
93.07040	15.2
93.07530	2.4
95.04978	3.1
95.08607	7.2
97.02915	3.8
97.06548	2.9
99.04446	2.2
105.07029	39.2
107.08575	10.6
109.02853	1.9
109.06539	5.6
109.10161	8.4
119.08582	25.1
121.10127	19.5
123.08067	2.1
127.03910	4.0
129.07039	2.0
131.08571	70.7
132.08919	1.9
133.10117	32.1
145.04984	2.5
145.10136	8.9
147.11674	4.8
149.13220	2.7
151.11174	60.8
153.05226	2.1
156.08357	2.2
161.13251	47.1
162.13664	2.5
163.14873	10.5
173.13263	100.0
174.13618	3.2
179.14307	18.6
191.14302	82.2
192.14691	2.4
194.69182	2.2
197.15436	5.4
209.15331	49.2
210.15591	1.8
227.16354	9.4
259.11133	8.1
389.13559	3.1
407.14301	3.8
412.96823	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	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01867	5.7
55.05500	7.8
57.03428	4.2
65.03951	2.8
67.05496	8.8
69.03432	25.8
69.07066	5.7
70.06586	4.4
70.83483	7.6
71.04974	5.0
79.05491	9.6
81.03408	7.6
81.07044	14.0
83.04980	35.7
85.02876	10.2
86.09706	3.5
91.05492	16.4
93.07023	9.5
95.04954	8.8
95.08592	11.1
97.02885	11.1
97.06495	5.6
99.04451	13.4
103.03938	6.3
105.07009	19.1
107.04935	5.9
107.08598	9.7
108.27872	2.6
109.02859	17.3
109.06498	6.3
109.10071	4.1
111.04444	3.5
115.05408	5.6
117.07011	8.2
119.08580	13.5
120.08072	7.3
121.02896	3.4
121.06503	7.1
121.10096	2.8
123.04448	4.7
123.08054	5.0
127.00598	2.9
127.03912	12.2
127.38977	2.5
128.06219	9.3
129.06979	13.4
131.08531	13.4
133.06502	4.1
133.10107	4.8
135.08046	100.0
136.08385	3.7
137.05937	3.9
138.06270	2.4
141.06985	7.4
142.07779	9.8
143.08582	19.1
145.06485	9.3
145.10112	9.2
147.04427	4.2
147.08054	8.0
147.11713	3.7
149.09590	6.1
149.13330	3.2
151.03923	4.9
151.07520	3.8
153.06961	14.6
155.08568	9.9
156.09322	16.7
157.06439	8.9
157.10118	18.2
158.07257	5.6
159.08034	13.8
159.11693	11.0
161.09642	2.7
165.06982	7.5
166.07773	10.8
168.09331	12.1
169.06491	4.8
169.10094	6.8
171.08038	15.7
171.11729	13.4
172.08827	19.8
173.05931	3.4
173.09605	16.4
174.06754	3.3
175.07544	8.1
175.11205	4.0
177.05537	4.1
181.04977	4.3
181.10078	8.4
183.05589	3.3
183.11705	12.1
184.08804	8.8
185.05986	3.6
185.09572	17.0
186.10432	5.7
187.11253	16.7
189.09090	3.0
197.05945	6.5
199.11176	47.6
203.10698	30.6
209.09610	13.9
211.07486	3.2
212.08293	16.0
215.10660	88.6
217.12236	6.4
227.10672	50.8
233.08107	2.8
233.11671	26.8
234.12338	3.6
245.11714	89.9
263.12817	11.0
274.21661	4.0
287.12778	4.2
300.16028	3.9
315.12277	7.0
333.13245	22.1
345.25159	3.7
346.16440	7.4
371.14996	4.0
407.25571	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	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01866	7.9
55.05507	2.1
56.96561	1.8
57.03436	4.4
61.02925	8.1
67.05495	8.0
67.15743	1.4
68.99791	3.4
69.03428	40.0
69.07070	2.2
70.06590	1.5
71.04993	4.3
71.57745	2.8
72.78348	1.5
73.02908	5.8
79.05488	5.6
81.03410	28.0
81.07048	13.5
83.04963	2.3
85.02903	100.0
86.09680	1.9
87.00825	41.9
91.05476	4.7
93.07046	4.3
94.85191	1.7
95.08605	3.9
97.02891	31.5
99.04456	14.5
102.05592	1.6
105.01187	3.3
105.01863	52.0
105.07016	6.1
107.08566	4.4
108.04459	2.2
109.02876	24.3
109.10124	3.3
111.08059	1.7
115.03977	2.5
117.01860	3.0
117.07051	2.2
119.08566	4.3
120.08073	1.7
121.10170	1.5
123.08011	2.1
123.11705	1.8
126.05477	2.7
127.03914	63.1
129.01849	2.3
131.08655	2.4
133.10146	2.1
137.05949	2.0
145.04950	27.2
145.10152	2.8
147.02911	3.7
147.11641	2.2
157.10202	1.7
159.02878	14.7
162.12755	4.8
163.11194	2.2
167.83478	1.5
189.03946	2.7
213.04018	1.8
231.04909	14.6
231.13873	1.7
249.06091	1.9
292.15405	5.0
306.44556	1.7
308.18381	3.4
335.14954	2.2
406.25909	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	406.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04728	1.6
55.01857	5.9
55.05500	5.9
56.05033	13.3
57.03431	10.4
57.03660	1.6
58.99583	27.7
67.05464	2.3
68.05025	2.9
69.07051	2.5
70.34337	5.8
73.01114	2.2
73.29858	1.6
74.00650	6.1
76.02227	41.8
76.03947	2.3
79.05497	9.4
80.05038	2.7
81.07048	44.0
81.83445	1.7
83.06094	3.2
84.04500	56.9
85.01125	7.3
85.34042	1.7
86.00661	12.1
86.99039	16.9
87.02687	12.3
88.02210	5.7
92.27531	1.4
93.07033	1.6
94.01756	1.6
94.06541	3.1
95.08591	5.8
96.08134	2.1
97.06514	5.9
98.09690	23.3
99.08081	8.7
102.05538	9.0
105.07017	3.8
110.09671	5.6
112.03949	7.0
113.04231	13.6
114.03671	1.8
115.05789	2.5
116.01672	49.8
122.09678	4.9
123.08046	2.8
127.05830	2.6
129.06595	7.1
129.07423	2.3
130.04996	16.4
130.06865	10.3
130.08655	1.6
142.03224	3.2
143.02695	2.9
144.01144	15.3
145.06046	2.4
156.08412	30.3
156.10191	20.5
157.06854	13.6
158.53465	1.7
162.02199	33.0
174.09489	16.3
179.04822	10.0
210.11192	2.4
216.06812	8.7
233.05951	2.5
259.11105	100.0
260.11649	2.8
313.12259	2.3
331.13126	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	406.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	12.4
55.01850	12.5
55.05501	3.7
57.03418	10.8
58.99562	4.8
61.02917	9.9
68.99764	4.5
69.03428	42.7
70.06586	8.9
70.47221	10.7
71.04964	6.2
73.02897	9.1
76.02216	6.4
80.90202	3.2
81.03411	35.7
81.07029	10.3
84.04492	10.1
85.02899	100.0
87.00829	34.2
87.02704	4.1
88.03357	3.7
88.48528	3.1
97.02881	43.6
98.06020	3.6
99.04440	17.1
102.05495	5.5
103.03937	4.5
105.01867	34.6
108.04442	7.6
109.02876	41.7
116.01635	9.0
117.01811	4.6
117.52314	3.5
124.07566	4.3
126.05447	6.6
127.03906	73.1
129.01819	9.1
130.05054	4.1
133.02837	5.9
141.05414	11.0
145.04927	33.6
147.04382	6.0
156.08435	5.6
157.06715	4.7
159.02885	24.5
162.02179	6.0
165.05396	10.5
174.09404	5.0
177.05431	7.2
189.03902	10.1
203.07103	5.1
207.06560	7.2
216.07088	3.3
231.04907	11.0
231.06882	4.9
249.07585	9.4
253.57092	3.5
259.11136	36.1
319.04593	4.1
328.37006	3.4
360.67902	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	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
50.11340	2.2
53.03939	8.8
53.29581	2.5
55.01859	11.4
55.05511	32.4
57.03424	8.3
57.07074	3.3
61.02922	3.1
65.03941	4.2
65.47555	2.5
66.29887	2.5
67.05501	58.5
69.03430	25.7
69.07066	27.8
71.04984	8.2
71.10107	5.1
72.19868	2.5
73.02904	5.2
79.05487	63.2
81.03416	24.0
81.07053	67.7
82.44393	3.0
83.04993	13.4
83.08600	11.4
85.02899	6.2
85.06506	3.4
86.09723	3.3
91.05475	65.3
93.07040	65.9
95.04963	20.3
95.08602	47.5
97.02876	8.0
97.06538	8.7
97.10169	8.7
99.04454	5.2
103.05500	14.7
105.07028	57.0
107.04951	17.8
107.08584	40.3
109.02865	2.4
109.06512	9.2
109.10159	23.1
111.04446	12.8
111.08076	3.9
115.05452	8.5
117.07015	28.9
119.08578	49.6
119.56152	2.7
121.06492	13.3
121.10128	26.7
123.08018	6.4
123.11705	8.1
125.09579	4.8
127.03873	3.8
128.06219	7.2
129.05498	5.0
129.07010	27.6
130.07722	4.2
131.04927	4.2
131.08553	42.7
133.06494	8.4
133.10104	30.4
135.08083	7.3
135.11678	16.7
137.05963	3.1
137.09595	3.4
141.06989	5.3
142.07788	7.4
143.08542	19.3
145.06535	4.8
145.10118	38.9
147.08049	7.0
147.11681	22.1
149.09625	6.5
149.13255	9.0
153.07016	3.3
155.08525	7.6
156.09312	3.5
157.10133	20.0
159.08040	5.7
159.11673	26.7
161.09624	9.2
161.13216	14.7
163.07626	2.6
163.11218	6.1
163.14804	3.6
165.07039	3.3
165.12718	2.9
165.31906	2.5
167.08464	3.8
169.10075	12.7
171.08066	6.4
171.11688	20.0
173.09654	7.4
173.11839	3.8
173.13214	17.3
175.07593	3.0
175.11217	6.7
175.14723	3.9
177.12793	3.3
181.10100	5.3
183.11736	12.8
185.09613	4.9
185.13293	14.1
187.13336	2.7
187.14838	8.7
189.09169	3.3
189.12750	5.6
195.11761	6.5
197.09599	3.7
197.13274	5.4
199.11218	5.5
199.14851	9.8
201.12857	4.6
201.16527	3.9
203.14453	4.2
207.11746	3.1
209.13251	3.4
213.12810	2.8
223.14848	3.8
225.12764	3.3
239.14369	2.9
245.84874	2.7
255.21091	5.0
257.20996	6.4
259.20554	7.5
261.22125	2.8
271.20523	4.6
273.22244	6.0
275.20020	4.0
277.21655	8.9
285.22229	4.4
289.21591	11.5
291.23386	3.9
299.19922	3.2
301.21655	11.2
303.23151	3.7
313.21564	4.5
315.23334	12.5
319.22360	6.0
327.23206	7.9
331.22699	5.3
341.24875	7.2
345.24231	8.5
351.23178	14.1
359.25842	4.8
369.24203	40.4
387.25305	31.8
405.26315	100.0
405.34970	5.9
406.27188	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33697	1.4
52.28416	1.5
53.03936	5.6
55.01862	5.4
55.05505	23.7
56.96559	2.6
57.02603	1.4
57.03426	4.9
57.07062	3.2
65.03928	5.1
67.05501	67.8
67.61646	1.2
69.03426	2.7
69.07059	24.5
69.84560	1.3
70.03593	5.9
71.04978	3.0
79.05487	62.1
80.59719	1.3
81.03413	5.7
81.07051	70.3
82.86562	1.5
83.04983	4.1
83.08623	10.4
85.02900	2.2
85.06537	4.0
91.05474	68.1
92.99136	1.3
93.07040	57.7
95.04952	17.4
95.08601	48.4
97.06527	6.4
97.10167	5.3
102.40482	1.5
103.05460	2.8
105.07024	61.5
107.04929	9.2
107.08595	27.3
109.06516	8.0
109.10162	14.0
111.08083	2.5
115.05488	2.9
116.98582	1.6
117.07016	27.7
119.08570	37.4
121.06487	9.2
121.10133	19.2
123.04442	2.6
123.08058	5.3
123.11707	3.0
125.09618	3.0
128.06192	4.0
129.06990	19.8
131.08562	33.0
133.06488	4.1
133.10123	25.2
134.64772	1.6
135.08040	5.4
135.11681	13.3
137.05978	2.6
137.09563	3.8
141.06972	6.2
142.07739	2.4
143.08527	14.8
145.06477	2.2
145.10117	23.8
147.08069	5.2
147.11673	12.5
149.09608	4.9
149.13269	4.4
151.11197	3.3
153.07004	1.7
154.07874	1.4
155.08539	8.5
157.10094	14.3
159.08064	3.9
159.11659	15.7
161.09557	4.2
161.13231	10.4
163.11165	4.8
163.14764	1.4
169.10124	8.4
171.11690	14.3
173.09654	3.5
173.13257	10.8
175.11176	4.3
175.14812	6.4
177.12663	3.4
181.10182	2.2
183.11661	7.2
185.13220	11.5
187.11220	3.5
187.14827	5.7
189.12737	5.9
195.11746	2.1
197.13280	6.7
199.14838	4.5
201.12732	6.4
201.16379	2.4
203.14261	2.7
205.12259	1.9
207.11797	1.5
207.13730	3.4
209.13327	2.0
211.14825	2.7
213.16351	1.5
215.14351	4.2
219.13795	2.8
221.15326	3.3
223.14835	1.9
229.16057	2.1
233.15385	3.8
267.20981	3.5
285.22089	7.7
295.20575	6.4
303.23132	15.5
313.21603	27.6
323.09314	1.9
331.22626	32.4
349.23792	6.5
372.19077	1.5
381.48657	1.7
387.25244	3.5
405.26346	100.0
406.26752	4.3
427.18365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60918	1.4
53.03936	3.4
55.01860	4.7
55.05507	22.3
56.96552	3.4
57.03414	3.1
57.07057	2.5
65.03928	4.5
67.05502	60.5
69.03406	2.1
69.07068	18.8
69.34582	14.3
71.04977	3.9
73.95446	1.2
79.05487	52.2
81.03413	3.3
81.07053	59.8
83.04968	4.0
83.08623	7.6
85.02882	2.5
85.06530	4.7
91.05473	57.3
93.07035	53.0
95.04959	13.9
95.08601	39.4
97.06528	8.0
97.10165	4.6
99.08105	1.4
103.05450	2.5
105.04521	1.4
105.07026	50.4
107.04948	6.0
107.08587	24.8
109.06505	8.2
109.10159	14.3
111.04481	1.3
111.08080	2.9
115.05459	2.2
117.07014	18.0
119.08578	34.1
121.06491	7.2
121.10139	20.2
123.08047	3.6
123.11685	2.4
125.05905	1.5
125.09600	1.8
128.06216	3.6
129.06993	14.0
130.07788	2.3
131.08557	30.4
133.06491	3.7
133.10121	21.0
135.08090	5.3
135.11665	8.1
137.06020	1.5
137.09624	4.4
139.11118	2.2
141.07011	4.2
142.07791	3.6
143.08549	12.8
145.06511	3.9
145.10103	23.0
146.53812	1.4
147.08070	3.4
147.11661	12.1
148.54666	1.4
149.09644	4.0
149.13315	4.7
151.11201	2.3
155.08582	6.5
156.09352	1.5
157.10062	11.6
159.08055	2.3
159.11729	13.6
161.09654	3.3
161.13263	8.8
163.11215	4.3
163.14803	1.5
167.08588	1.8
169.10112	6.6
171.11661	12.2
173.09740	2.4
173.13239	10.7
175.11183	3.6
175.14839	5.0
177.12787	4.6
183.11728	5.5
185.13248	8.7
187.11224	3.8
187.14778	6.6
189.12814	4.8
191.14339	2.2
195.11758	2.4
197.13261	8.8
199.14879	4.9
201.12790	7.2
201.16370	2.2
203.14249	3.0
205.12248	2.3
207.13770	2.6
209.15108	1.9
211.14821	3.2
213.16457	1.5
215.14252	2.6
219.13953	2.2
221.13368	2.2
221.15335	3.3
225.16573	2.1
227.14499	2.1
229.15984	1.6
233.15439	3.7
247.17076	1.7
267.21030	3.0
285.22083	7.6
295.20459	8.7
303.23209	12.0
313.21579	26.9
318.43301	1.5
331.22656	31.9
349.23868	4.3
369.24298	2.0
380.03180	1.5
387.25439	2.4
405.26392	100.0
405.35156	4.3
406.26627	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	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
50.52613	2.9
53.03933	9.7
55.01863	11.1
55.05507	23.7
57.03425	7.3
57.07063	4.7
57.28261	2.7
67.05497	47.6
69.03426	52.4
69.07066	14.8
71.04986	9.8
71.34553	2.6
71.58729	5.7
77.22662	3.2
77.33815	3.0
77.96114	3.1
79.05488	35.5
81.03415	100.0
81.07050	52.4
83.04977	13.4
83.08606	4.7
85.02895	11.9
91.05480	35.8
93.07040	37.4
95.04982	10.3
95.08598	37.1
97.02888	11.1
97.06538	6.2
99.04459	26.3
105.07022	45.4
107.04972	4.1
107.08587	26.6
109.02876	37.6
109.06519	6.3
109.10151	21.3
111.04443	25.5
117.07000	17.1
119.08564	30.5
121.06481	5.5
121.10141	23.2
123.08076	7.0
123.11694	5.7
125.02299	3.7
127.03909	31.3
128.06195	4.6
129.05476	9.2
129.06999	13.5
131.08545	33.2
133.06516	4.3
133.10150	22.9
135.11697	13.3
143.08589	11.5
145.06497	5.7
145.10088	20.8
147.08067	3.0
147.11688	15.8
149.13245	9.3
155.08534	4.7
157.06317	3.3
157.10143	11.0
159.08051	5.4
159.11697	12.4
161.09659	4.9
161.13292	9.0
163.14804	3.7
171.11673	8.1
173.09422	2.9
173.13274	12.1
175.11188	5.1
175.14948	6.2
183.11700	6.8
184.07303	5.5
185.09602	3.4
185.13229	6.2
187.11192	3.1
187.14842	5.7
189.12776	2.8
197.13283	4.6
199.14717	3.7
201.16229	3.2
212.47722	3.1
235.63922	2.9
261.21951	4.2
277.21707	5.8
301.21738	3.2
315.23260	12.9
341.24860	5.0
345.24103	3.5
351.23380	4.1
359.25806	6.1
369.24228	20.8
387.25327	23.5
405.26230	43.8
405.30731	3.2
405.34995	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	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03940	8.1
55.01863	15.8
55.05307	3.6
55.05513	42.6
57.03418	13.1
57.07063	6.3
58.52511	3.8
60.51910	3.8
63.23508	3.8
65.03916	7.2
67.05502	100.0
69.03427	51.7
69.07062	38.3
71.01327	8.3
71.04980	10.6
71.58221	9.3
79.05489	81.5
81.03406	49.6
81.07053	97.5
83.04980	23.6
83.08616	14.6
85.02900	16.4
85.06528	5.2
91.05479	92.3
93.07040	94.7
93.39722	4.1
95.04953	25.5
95.08601	75.9
97.02890	14.6
97.06516	11.7
97.10178	10.7
99.04444	8.3
99.08060	5.2
105.07027	89.9
106.03482	4.3
107.04943	15.2
107.08592	55.1
109.02870	14.0
109.06512	12.9
109.10168	30.0
111.04434	19.6
111.08086	8.2
115.03928	7.2
115.05467	7.8
117.07024	49.4
119.08581	68.7
121.06490	17.3
121.10137	39.5
123.04429	7.2
123.08087	8.0
123.11722	10.0
127.03915	7.3
128.06180	7.5
129.05516	7.3
129.06987	30.9
130.07771	8.2
131.08548	64.9
133.06499	13.2
133.10123	47.9
135.08028	15.8
135.11694	28.9
137.09567	7.0
141.07008	12.8
143.08560	34.5
145.06479	11.8
145.10114	50.5
147.08044	11.7
147.11684	32.7
149.09607	11.3
149.13242	13.0
155.08563	12.0
157.10078	25.7
159.08015	12.1
159.11691	41.8
161.09608	11.9
161.13278	16.6
163.11176	9.3
167.29636	4.3
169.10143	15.3
171.08028	10.0
171.11731	28.4
173.09627	11.2
173.13245	31.8
175.11221	14.0
175.14850	8.9
177.12680	9.1
179.08574	4.3
181.10095	5.4
183.11668	12.3
185.09610	8.8
185.13307	23.6
185.14647	4.3
187.11108	8.3
187.14821	14.0
189.12701	7.4
191.14365	5.4
197.13208	11.4
199.11145	9.1
199.14822	13.2
201.12692	6.4
203.10669	4.5
203.18126	4.9
209.13249	6.6
211.11269	6.1
211.14781	7.2
213.12717	8.5
213.16365	9.2
221.13414	5.8
227.14220	5.9
241.19522	9.3
259.20633	10.0
271.20447	6.3
273.22177	7.8
275.19904	4.5
277.21597	10.1
285.22162	6.5
289.21680	9.2
291.23129	4.8
301.21536	7.7
303.23129	14.4
313.21500	9.7
315.23163	12.2
319.22659	10.3
323.23514	4.9
327.23193	13.6
331.22488	8.3
335.41177	4.6
341.24820	20.3
343.22513	5.5
345.24289	16.7
351.23303	23.3
369.24219	50.2
387.25299	55.8
405.26315	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03947	5.0
55.01872	12.9
55.05507	37.0
55.47017	2.3
57.03432	10.7
57.07069	6.3
65.03935	6.7
67.05502	79.7
69.03430	37.8
69.07063	32.0
69.25552	2.5
70.74809	2.1
71.04994	7.7
71.08622	2.2
71.58379	3.2
71.89679	2.4
73.02929	3.6
75.93015	2.3
79.05492	75.0
79.05956	3.7
81.03416	37.0
81.07055	100.0
82.27036	2.5
83.04965	15.4
83.08628	17.0
85.02911	14.2
85.06547	5.8
91.05479	82.0
93.07042	73.5
93.07631	4.7
94.02912	2.3
95.04969	21.6
95.08606	62.0
96.05158	2.6
97.02889	14.5
97.06524	9.6
97.10176	9.3
99.04454	9.6
99.08083	3.4
103.05432	5.3
105.07030	77.3
107.04949	13.7
107.08584	47.6
109.02869	6.9
109.06496	14.8
109.10157	29.0
111.04427	12.7
111.08067	4.1
113.02380	2.6
115.03920	3.1
117.05498	2.6
117.07011	45.6
119.08576	68.2
121.06538	12.6
121.10149	28.8
123.04433	7.0
123.08080	9.5
123.11716	7.4
125.09612	7.1
127.03943	4.8
128.06256	7.7
129.05510	5.1
129.06979	30.5
131.04889	3.0
131.08568	58.0
133.06505	9.5
133.10127	40.7
135.08073	8.0
135.11684	20.3
137.05992	2.9
137.09660	7.5
139.07590	2.8
141.07008	9.0
142.07780	7.7
143.08554	25.8
145.06487	13.6
145.10126	44.7
147.04451	3.4
147.08058	16.8
147.11681	30.3
149.09616	5.7
149.13206	13.6
151.07555	5.9
151.11261	4.7
155.08531	13.8
157.06596	5.4
157.10141	23.4
159.08083	6.8
159.11674	35.8
161.09651	10.3
161.13271	21.9
163.07471	5.0
163.11182	6.6
163.14841	3.3
164.06911	2.8
165.06993	4.3
165.09111	2.6
167.08620	4.9
169.10086	11.3
171.08080	4.8
171.11655	18.8
173.09618	4.4
173.13232	25.7
175.11201	7.0
175.14835	6.8
177.12776	3.6
179.08557	2.6
181.10065	4.6
183.08067	3.4
183.11693	14.3
184.07396	3.8
185.09610	6.7
185.13274	15.3
187.11186	9.6
187.14857	8.1
189.12772	6.7
189.16420	2.8
191.14294	3.1
193.10280	4.2
195.11786	5.9
197.09642	3.3
197.13304	9.8
199.14836	10.1
201.12776	7.7
201.16417	4.0
203.14449	3.5
207.11908	3.1
209.13315	7.8
211.11227	5.6
211.14806	4.3
213.12732	4.3
213.16440	3.4
215.14293	3.8
217.15939	4.1
219.13797	3.2
225.12776	3.2
227.14304	3.9
241.19751	3.1
255.20950	2.3
257.15515	3.1
257.19156	3.6
259.20541	8.6
271.20554	2.9
273.18860	2.2
273.22119	11.0
275.24097	2.4
277.21756	4.1
283.20541	3.1
285.22217	8.0
287.20053	2.3
289.21716	9.4
291.23120	6.9
297.22128	2.6
301.21558	12.6
303.23132	7.4
313.21683	6.6
315.23282	14.7
317.24802	5.6
319.22617	5.7
323.23767	4.3
325.21606	3.4
327.23264	10.4
331.22617	7.4
332.32318	2.4
340.61487	2.6
341.24759	17.2
345.24295	9.4
351.23138	15.8
359.25778	6.6
369.24243	52.7
387.25323	54.2
405.26382	70.3
405.31259	2.7
405.35126	2.9
406.26678	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	405.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	6.1
53.03934	12.2
55.01857	15.6
55.05507	47.0
57.03429	12.8
57.07067	5.6
63.46743	4.3
65.03916	6.6
67.05498	100.0
69.03420	37.7
69.07065	47.4
70.96012	10.4
71.04971	14.8
79.05490	88.7
81.03416	33.4
81.07057	95.1
83.04967	21.0
83.08604	23.5
85.02901	9.3
85.06509	5.0
85.76775	5.2
91.05476	91.8
93.07034	93.1
95.04973	30.2
95.08598	70.1
97.02864	19.2
97.06527	14.2
99.04482	9.6
103.05482	5.8
105.07023	78.0
107.04943	20.1
107.08582	58.2
109.02893	13.1
109.06506	20.4
109.10167	30.3
111.04428	12.3
111.08033	5.2
115.05383	6.9
117.07022	43.7
119.08578	69.7
121.06512	16.9
121.10130	43.9
122.62390	4.9
123.08059	18.0
123.11713	7.5
127.03862	8.0
128.06229	9.3
129.05429	6.9
129.07013	38.7
131.08566	53.2
133.06494	11.5
133.10088	46.3
135.08057	16.2
135.11653	26.4
137.06020	7.2
137.09547	8.0
141.07074	6.6
143.08548	26.0
145.06544	5.5
145.10136	59.5
147.08055	18.6
147.11703	34.8
149.13257	15.1
151.07591	6.7
155.08516	15.5
157.06361	7.0
157.10062	24.0
159.08043	10.3
159.11639	34.1
159.15364	5.5
161.09605	10.2
161.13211	12.3
163.14752	7.0
169.10124	11.6
171.11673	15.6
173.09671	10.3
173.13269	24.5
175.11174	12.3
175.14839	11.3
177.12712	8.1
181.10071	8.3
183.11714	11.6
185.09592	9.9
185.13257	18.9
187.14758	12.7
189.12660	6.6
193.10039	5.7
195.11708	8.0
197.13245	6.3
199.11127	6.1
199.14836	13.3
199.31081	5.7
213.12625	5.9
215.14348	6.1
271.20837	5.2
277.21628	6.2
285.22116	6.3
289.21704	10.1
296.23502	5.1
298.88724	6.1
301.21646	12.3
303.22870	7.3
313.21243	5.4
315.23193	5.4
319.22653	14.3
327.23193	7.4
341.24725	8.9
345.24265	6.9
351.23123	9.9
369.24142	34.4
387.25320	29.7
405.26190	72.5
406.26715	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	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.74146	2.1
52.77999	2.1
53.03929	9.6
54.14748	2.0
55.01862	14.2
55.05505	47.4
57.03412	9.4
57.07069	6.9
59.04982	3.1
64.46487	2.0
65.03927	4.6
67.05501	93.7
69.03423	33.8
69.07063	32.1
69.43592	16.5
71.01337	3.3
71.04982	11.8
72.67755	2.2
73.02911	7.5
79.05483	76.9
81.03413	34.0
81.07048	100.0
83.04971	20.4
83.08615	16.3
85.02892	16.2
85.06532	5.5
87.04446	2.5
91.05471	90.8
91.83213	2.7
93.07037	94.5
95.04948	22.9
95.08599	72.6
97.02869	14.2
97.06503	12.2
97.10148	8.4
98.21484	3.0
99.04438	8.7
99.08085	3.9
103.05413	3.3
105.04501	4.0
105.07024	85.6
107.04955	13.2
107.08588	49.7
109.02852	6.0
109.06478	14.3
109.10146	32.4
111.04444	15.6
111.08072	6.6
114.09818	2.5
115.03954	2.7
115.05433	8.4
116.06199	2.3
117.07008	43.9
119.08575	71.4
121.06522	11.9
121.10139	34.9
123.04385	4.1
123.08062	12.8
123.11709	6.4
125.09601	5.0
127.03896	5.7
128.06190	11.7
129.05487	5.3
129.06979	20.9
130.07730	3.7
131.04982	2.5
131.08559	59.8
133.06483	13.5
133.10118	51.4
135.08044	11.2
135.11714	22.8
137.05945	3.3
137.09576	7.4
139.07440	2.9
139.11133	2.6
141.06981	8.9
142.07755	7.1
143.08545	31.2
145.06502	11.5
145.10126	52.6
147.08020	12.6
147.11671	30.5
149.09610	9.4
149.13211	16.0
151.07497	6.7
151.11154	3.2
153.06985	3.6
153.09023	4.7
155.08525	14.4
157.06459	3.4
157.10106	23.6
159.08047	8.5
159.11679	37.2
161.09615	8.8
161.13254	15.1
163.07545	3.8
163.11177	7.8
163.14803	4.7
165.09119	2.9
167.08537	4.9
169.10150	13.4
171.08031	5.7
171.11705	22.0
173.09654	5.7
173.13243	24.4
175.07588	2.4
175.11191	8.6
175.14792	8.6
177.12773	5.6
181.10112	5.6
183.08006	3.1
183.11694	11.9
183.71867	2.3
185.09625	6.3
185.13242	19.5
187.07512	2.4
187.11139	8.8
187.14832	10.0
189.09152	5.7
189.12753	8.5
191.14317	3.0
193.10275	3.0
193.12288	3.3
195.11749	6.6
195.13748	2.3
197.09612	5.0
197.13280	5.7
198.97687	2.4
199.11140	7.7
199.14832	8.6
201.12781	7.0
201.16393	6.1
203.14285	5.5
207.11703	3.6
209.13237	6.8
211.11198	3.4
211.14876	4.5
213.12785	5.2
213.16393	3.3
215.14333	3.0
217.15887	2.7
221.15303	3.0
223.14815	5.0
225.12669	4.0
229.15987	3.3
235.14828	4.0
237.16344	3.6
239.18027	2.9
241.15858	2.7
241.19366	3.1
247.17010	2.6
257.18939	2.4
259.20563	10.2
261.22028	6.0
271.20630	8.7
273.22107	7.6
275.20004	3.9
277.21606	5.8
283.20505	4.2
285.22067	8.0
287.28748	2.7
289.21603	11.7
291.23160	7.0
297.21951	4.7
299.19977	3.6
299.23605	4.5
301.18408	2.9
301.21457	15.4
303.23141	10.1
313.21655	4.5
315.23047	14.3
319.22714	9.1
323.23679	4.7
327.22934	11.7
331.22592	6.0
339.23053	2.9
341.24686	12.7
345.24246	9.9
351.23062	16.6
359.25867	6.9
369.24219	66.8
387.25305	38.8
405.26288	94.6
405.31665	4.8
406.26688	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	405.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01858	4.8
55.05510	39.8
57.03455	2.9
57.07060	3.7
64.17522	2.5
65.03936	4.9
67.05136	3.6
67.05499	59.5
69.03428	3.3
69.06726	3.3
69.07063	35.5
70.64640	7.9
71.04990	6.1
79.05486	46.6
81.03437	3.4
81.07047	76.4
83.04998	4.3
83.08615	36.3
85.02896	3.5
85.06506	4.0
91.05473	87.8
91.06015	5.8
93.07047	52.3
95.04951	15.2
95.08595	41.0
97.06531	8.6
97.10161	9.7
99.08090	4.1
103.05450	4.6
105.07025	67.8
107.04967	9.0
107.08585	24.8
109.06493	6.9
109.10159	15.2
111.08070	9.5
115.05453	6.3
117.07008	59.5
119.04929	3.1
119.08577	31.7
121.06495	8.4
121.10146	20.9
123.08076	7.5
125.09611	5.6
126.89375	2.7
128.06223	11.4
129.06993	52.0
130.07735	3.4
131.08557	100.0
133.06464	7.3
133.10110	24.4
135.08064	6.6
135.11664	10.4
137.09557	2.8
139.11192	7.5
141.06978	18.5
142.07773	5.9
143.08549	41.2
145.06470	9.1
145.10101	35.1
145.11179	3.9
147.08035	7.6
147.11693	9.4
149.09637	7.5
149.13219	2.9
153.07033	4.7
154.07729	3.1
155.08546	36.9
157.06497	6.3
157.10118	24.3
157.31172	2.6
159.08115	6.9
159.10304	3.5
159.11668	14.3
161.09648	3.0
163.11130	5.0
165.07050	5.4
167.08546	16.1
169.10185	17.0
171.11685	14.1
173.09621	4.6
173.13242	6.3
175.09648	3.9
175.11125	6.7
177.12773	4.7
179.08586	7.0
181.10057	20.3
183.11713	11.0
185.09558	4.1
185.13228	12.6
187.11124	3.2
187.14798	3.2
193.09996	4.5
195.11690	17.7
195.13356	2.6
197.13187	6.1
199.11136	4.5
199.14740	4.1
201.12755	4.5
201.16399	3.8
205.12392	3.5
207.11650	3.8
209.13223	9.2
211.14838	8.4
213.12723	6.7
213.16298	3.3
215.14232	4.8
221.13234	11.0
223.14824	17.8
225.12744	4.4
229.15784	3.5
233.13272	3.8
233.15288	13.5
235.14806	9.3
239.14288	7.7
241.15863	3.7
247.16922	3.1
253.15654	4.1
257.15442	5.4
258.85257	3.4
259.16922	4.2
271.16940	5.4
285.18564	4.9
323.23453	6.2
333.22040	17.6
341.24689	12.2
351.23145	32.2
369.24176	23.5
387.25317	29.5
395.28925	3.5
405.26590	4.7
405.35098	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	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97794	0.7
51.27073	0.8
55.01871	5.3
55.05509	11.9
57.03437	5.8
57.07068	4.1
67.05505	6.7
69.07067	13.0
71.08626	3.3
79.05484	3.9
81.07061	7.1
83.08615	10.9
87.30190	0.8
89.28719	0.7
91.05493	1.4
93.07061	4.6
93.47141	0.8
95.08594	5.8
97.06536	1.7
97.10173	7.4
105.07032	1.1
107.08573	2.7
109.10164	1.5
111.08102	1.7
111.11714	2.0
113.00014	100.0
121.10124	4.8
123.11699	1.0
125.68936	0.9
131.01074	1.6
131.56638	0.8
135.11702	4.6
149.13261	1.3
151.01505	0.9
167.78368	1.0
169.02608	91.4
219.21117	2.2
237.22095	6.1
408.15805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01873	3.9
55.05506	25.7
56.96523	2.4
57.03422	3.6
57.07069	3.1
61.02896	3.1
65.03928	4.7
67.05502	63.9
69.03410	3.5
69.07062	24.8
69.24105	2.3
69.24496	29.3
71.04975	2.8
73.33353	2.4
79.05487	53.2
81.03400	4.9
81.07055	71.1
83.04975	5.7
83.08620	16.4
85.02871	2.4
85.06539	3.7
91.05472	69.0
93.07035	58.8
95.04974	15.4
95.08600	51.7
97.06525	7.7
97.10163	5.5
98.21461	5.1
105.07026	57.8
107.04958	7.3
107.08588	34.0
109.06513	8.7
109.10136	18.6
111.08075	4.5
112.84843	2.3
117.07014	23.6
119.08578	44.2
121.06497	8.7
121.10128	22.7
123.04463	4.3
123.08101	10.5
123.11679	6.6
125.09686	3.6
127.32040	2.5
128.06201	4.3
129.06987	12.3
131.08569	36.8
133.06534	3.5
133.10117	29.3
135.08076	6.1
135.11694	9.6
137.09639	4.7
141.06981	5.7
142.07733	2.6
143.08536	17.2
145.06494	3.8
145.10112	29.1
147.08051	4.6
147.11702	17.0
148.23137	2.4
149.13258	4.4
151.11247	3.0
153.09093	2.6
155.08571	9.8
157.10091	12.3
159.08063	3.4
159.11671	16.5
161.09624	3.1
161.13284	9.3
163.11215	2.9
167.08638	3.2
169.10182	9.2
171.11644	16.5
173.09650	3.9
173.13225	15.6
175.11143	4.5
175.14865	8.0
177.12773	5.7
181.10213	2.8
183.11728	6.7
185.13177	12.6
187.11255	4.4
187.14871	10.4
189.12822	4.2
197.13300	8.2
199.14854	6.9
201.12784	6.8
201.16348	6.9
203.14345	3.3
207.13770	2.8
209.13268	5.1
211.14879	4.0
211.74796	3.0
213.12910	2.7
215.14363	3.9
219.13864	2.8
225.16402	4.1
233.15504	2.8
262.48718	2.2
283.87921	2.6
285.22147	10.0
295.20508	6.4
303.23233	15.2
313.21585	28.6
331.22665	30.5
349.23743	6.9
405.26407	100.0
405.34689	17.1
406.26718	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	405.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
69.07052	0.7
72.04516	14.4
78.10854	0.5
81.07016	0.7
88.03976	0.7
91.05475	1.3
105.07053	0.8
106.06528	4.1
107.07363	0.8
107.08602	0.8
109.10165	0.7
117.05705	1.1
118.06540	7.8
119.07365	0.7
119.08604	0.5
120.08104	0.7
130.04961	1.0
130.06549	1.1
131.07300	5.7
132.08080	3.2
133.08871	0.9
134.09666	2.0
137.05980	0.9
139.03922	0.7
139.93568	0.6
144.08115	5.0
146.09636	9.7
158.09633	2.0
159.10457	0.7
159.11736	0.5
160.11221	8.2
162.12759	0.7
172.11201	8.1
173.12062	0.8
174.12762	2.0
186.12758	1.9
187.08769	0.7
187.10629	0.5
188.14264	0.9
189.10207	2.7
200.14308	0.6
201.10281	0.7
203.11781	1.8
215.08246	0.6
215.11803	0.8
217.13339	6.4
244.20595	8.7
272.20074	59.2
273.20422	3.3
290.21133	25.4
291.21326	0.7
298.21680	2.4
316.22693	18.2
316.26248	1.2
317.23184	0.9
325.22958	0.9
341.22205	1.3
342.20584	3.9
343.23828	5.4
359.23212	3.5
360.21701	2.2
361.24838	25.2
362.25177	1.3
369.21710	5.1
370.20123	3.5
387.22757	27.7
388.21057	12.4
389.21472	0.7
405.23816	100.0
406.24103	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
55.05498	8.2
56.05029	5.0
56.96540	3.5
65.03931	11.6
67.05500	12.6
69.03430	5.8
69.07047	8.8
69.32318	7.0
69.32720	36.6
70.47353	3.4
71.01353	3.5
71.04967	5.3
74.59359	3.3
75.04478	4.2
76.53567	3.7
78.04716	3.7
79.05504	22.3
81.03417	6.1
81.07059	19.8
85.02905	15.6
86.09694	5.3
89.44125	4.2
90.33640	3.7
91.05477	42.0
93.03422	23.8
93.07049	17.1
95.04975	15.6
95.08596	16.4
97.02876	4.9
97.06533	12.7
100.11275	4.2
103.05469	8.8
105.06998	18.1
106.04165	40.1
107.04961	14.0
107.08603	11.8
109.10166	5.1
110.06055	4.0
111.04425	4.2
114.09198	5.2
115.05437	4.9
116.98625	3.7
117.03405	7.5
117.07001	4.6
119.04958	8.5
119.08587	16.0
120.08110	4.5
121.06506	51.0
121.10122	8.8
122.06055	4.9
123.04438	7.1
124.05199	4.5
125.05978	17.0
127.03979	4.3
129.06982	7.7
130.04956	4.3
131.04941	5.7
131.08572	6.9
133.06529	5.2
133.10138	8.3
134.03606	7.1
135.04454	7.2
135.11610	5.6
137.05995	37.1
139.03925	9.0
143.04964	4.5
143.08553	4.5
145.02844	10.2
145.06552	3.9
145.10110	8.2
147.04405	7.9
147.11687	6.2
148.05122	4.9
149.05975	71.3
149.13354	4.7
151.03906	43.7
151.07434	3.9
152.08336	4.2
153.05406	5.6
153.09073	23.7
157.06453	4.5
157.10117	6.6
159.11694	4.7
161.05988	4.3
163.03911	7.6
167.07008	22.3
171.11734	4.3
172.05240	4.1
173.13329	5.7
175.07590	3.9
177.05447	58.6
177.12694	3.3
178.06210	5.8
181.04956	43.1
181.08571	38.0
185.13196	3.7
187.07440	5.5
189.16451	5.2
191.06978	5.2
193.08543	5.6
201.16454	4.8
203.07069	6.1
209.08098	100.0
210.08704	4.8
213.08691	3.8
215.17973	5.0
216.86147	3.6
229.19576	3.5
233.08067	20.7
237.11140	4.2
262.09164	4.5
267.14911	4.7
290.21002	4.4
334.26337	4.6
361.02173	10.0
369.13055	4.5
379.03220	4.9
387.14505	14.1
387.22809	6.1
405.23743	16.8
405.35214	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01890	1.2
55.05498	1.8
57.03435	1.0
58.25402	1.1
58.36271	1.1
60.16775	1.0
65.03939	10.0
67.05492	4.4
69.03411	3.4
69.07057	2.9
71.11880	1.4
71.12222	2.0
79.05489	9.9
80.99368	1.0
81.03419	6.7
81.07057	5.1
82.04196	2.5
83.08610	1.1
84.08169	1.0
85.02907	7.1
91.05478	4.8
93.03410	2.0
93.07035	3.0
94.04179	2.5
94.72110	0.9
95.04984	5.0
95.08613	2.9
97.02884	2.3
97.06523	4.5
102.09838	1.1
103.05485	1.9
105.07029	2.8
105.98173	0.9
107.04292	1.5
107.04954	17.7
107.08582	2.7
108.02171	1.1
109.02898	1.1
109.06481	1.3
109.10173	2.2
110.03660	5.0
111.04440	4.0
111.08106	1.3
115.05442	6.7
116.06222	1.2
116.83880	1.3
117.06983	3.4
119.08542	2.3
121.06485	1.8
121.10113	2.5
122.03641	4.2
123.04415	3.9
124.05206	3.7
125.05975	6.7
127.03931	2.9
127.67027	1.1
128.06221	4.1
129.07002	11.3
131.04939	2.2
131.08546	2.1
133.06451	3.0
133.10129	1.6
137.05974	40.3
138.03133	1.8
139.03920	1.6
140.04628	1.3
142.02576	2.5
143.04865	5.1
143.08562	1.7
144.05707	2.1
145.06473	6.4
145.10176	1.3
146.03563	1.2
147.04410	4.5
147.08073	2.3
147.11790	1.4
151.03903	26.8
151.05084	2.2
152.04605	2.1
153.05487	2.6
153.99551	1.0
157.06477	12.1
159.11835	2.3
160.05194	3.3
161.05956	6.3
161.09676	1.3
166.02643	1.2
167.07039	36.9
168.07355	2.0
171.04433	5.7
171.06601	8.0
172.05182	8.6
173.05977	2.9
173.13298	1.2
174.06725	2.1
175.07556	7.5
179.07014	1.0
181.04950	100.0
182.05212	2.4
182.15401	1.1
183.06488	1.5
187.07547	5.8
189.05443	3.2
189.09105	8.0
191.07005	3.6
193.10123	1.1
195.06483	2.8
197.13313	1.1
200.04642	2.9
201.05457	2.4
203.07007	17.9
205.08513	5.0
206.05745	2.4
210.14957	1.3
215.07028	2.3
218.05725	5.2
219.06462	2.0
219.08316	1.4
219.10156	1.5
221.08008	9.2
233.08069	59.2
234.06587	1.6
234.08737	1.2
235.07422	1.6
235.09689	2.7
245.08064	2.9
247.07649	1.5
248.08432	1.5
249.09114	2.6
251.09207	1.6
263.09042	8.9
265.08615	2.3
277.08542	4.5
279.06479	2.3
281.11862	1.2
293.08066	1.3
294.08835	2.4
307.09418	1.4
309.11124	3.9
316.09454	1.5
325.10757	2.8
327.12897	1.5
337.10733	5.8
341.13901	1.3
342.10803	2.5
351.12134	2.4
354.11035	1.4
357.13300	11.6
369.13272	4.3
387.14420	28.9
394.44644	1.1
405.24094	1.9
405.35165	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	405.1541
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
55.01869	4.6
55.05517	2.6
56.93931	1.8
56.96562	7.3
57.03426	7.9
62.12712	2.1
65.03939	9.4
67.05504	6.3
69.03427	5.8
70.06579	4.5
71.04995	37.4
71.57664	3.1
73.02925	2.7
76.02239	2.2
79.05492	8.0
81.03412	6.9
81.07053	6.1
82.04203	2.9
83.04982	4.9
85.02905	49.8
86.09700	4.7
89.42474	1.8
91.05476	6.7
93.03339	2.1
93.07035	2.1
95.04958	4.9
95.08595	3.4
97.02898	2.2
97.06545	4.0
98.97575	6.7
99.04445	1.9
102.05544	2.2
105.07019	2.5
106.60699	2.1
107.04952	15.4
108.02108	1.8
109.02914	2.1
109.06547	2.8
110.03649	3.8
111.04423	3.6
115.05450	6.3
116.98611	6.2
117.06969	2.8
119.01110	1.8
122.03632	4.8
123.04449	2.3
125.06007	6.9
127.03893	4.3
128.06235	4.7
129.05486	5.5
129.07033	10.8
133.06406	2.3
134.99646	3.5
137.05972	44.3
138.03076	3.0
138.05479	1.9
143.00128	2.5
143.04900	5.8
144.05696	4.6
145.06490	6.0
146.99643	2.5
149.01244	2.6
151.03897	22.7
151.04994	3.1
153.01808	3.7
156.52516	1.8
157.06503	10.1
158.99617	2.1
160.05193	3.2
161.01227	7.0
161.05965	6.5
165.05519	2.3
167.07021	37.4
171.04405	6.1
171.06546	8.9
172.05203	13.5
173.05934	3.6
174.06778	2.9
175.07536	6.7
177.00699	4.5
179.02252	3.6
181.04953	100.0
182.05350	2.8
182.74336	1.9
187.07542	5.4
189.05458	2.7
189.09123	8.3
191.07098	4.3
195.06541	3.2
200.04727	6.1
201.00766	2.0
203.02188	3.8
203.06996	17.2
203.08575	2.2
205.08658	5.3
218.05748	7.3
219.01781	4.6
221.08105	5.7
233.08073	69.0
237.02892	2.5
245.08115	2.8
247.07669	2.0
251.09123	2.2
259.10989	2.2
260.04468	1.9
263.09232	11.1
277.08646	3.6
291.10266	2.0
293.08234	2.9
294.08752	2.7
302.04291	3.9
317.06586	30.3
318.06866	3.5
319.10501	2.2
325.10645	2.6
337.10831	6.4
341.13947	2.9
343.11847	2.6
351.12070	3.1
355.09460	3.2
357.13101	10.6
369.13394	5.1
373.02145	2.4
373.10016	2.6
376.00946	11.7
387.14377	29.6
388.14969	2.2
391.03351	27.7
392.03772	3.6
394.02127	5.9
409.04376	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	405.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
55.05516	2.0
57.18412	1.6
67.05493	4.3
67.33355	1.8
69.03435	4.0
69.96062	8.6
74.60034	1.7
79.05452	2.3
81.03402	3.5
81.07051	4.7
83.05016	2.0
85.02886	3.8
86.09692	2.7
89.72879	1.9
91.05486	5.7
93.07049	2.8
94.95461	2.0
95.04934	2.1
97.02848	2.6
97.06521	2.4
99.04426	2.2
105.07041	2.4
107.04998	3.5
107.08595	3.1
109.02879	2.8
113.15961	1.8
115.72090	2.1
116.98593	2.4
119.04944	2.6
119.08587	3.5
120.08117	2.0
121.06494	2.5
127.03931	2.2
137.05949	9.5
139.03918	6.6
146.06097	2.8
147.88705	2.2
151.03897	2.2
161.05977	2.6
163.07526	2.8
167.07068	6.2
172.07463	2.3
173.13055	2.5
181.04976	5.3
183.09279	2.4
184.07625	2.2
188.07051	3.9
189.10291	2.8
197.07101	14.0
199.08704	4.4
202.08601	2.5
207.09163	4.1
211.08644	20.3
212.09254	3.0
213.10306	4.7
225.06618	22.5
225.10150	18.6
227.08200	5.7
227.11765	4.3
229.09637	1.9
232.70306	1.9
233.08025	5.5
235.08562	4.0
238.07124	2.5
239.08138	42.1
240.08876	4.1
241.09729	4.0
243.07652	4.6
243.11337	3.0
245.12836	41.0
251.08029	2.2
253.06004	2.5
253.06821	2.6
253.09679	31.9
255.07596	3.8
255.11263	5.3
257.05667	5.2
257.09180	14.7
265.09818	3.3
267.07651	15.0
271.10748	17.8
271.17834	1.9
273.08722	2.6
281.06018	2.0
281.09171	36.1
283.10837	6.9
285.08737	8.0
289.11807	11.8
293.09290	4.1
297.08749	3.4
299.06885	5.0
299.10226	50.8
301.11673	3.2
309.08673	54.5
310.08804	3.5
311.10260	11.7
313.08090	3.5
317.11243	3.8
327.09729	79.0
328.10162	2.8
329.11398	12.1
337.08167	6.6
345.10800	100.0
346.11102	6.8
355.09222	21.9
365.50656	2.2
373.10291	95.2
374.10550	5.3
377.13458	2.3
387.11853	5.9
405.12778	19.9
405.23938	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	404.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.3
55.05508	79.6
56.49331	9.8
57.03419	13.3
60.31299	11.3
63.47134	10.3
67.05508	66.7
68.37876	11.5
69.07052	43.7
71.08623	31.3
71.37120	24.7
79.05482	52.5
81.07050	100.0
83.08610	35.3
91.05468	48.1
93.07054	52.0
95.04977	14.4
95.08616	81.6
97.10152	55.8
99.08060	32.2
105.07016	49.3
107.08596	28.8
109.10165	60.8
116.74459	11.7
117.06960	14.5
117.56444	10.2
119.08549	46.4
121.10123	34.9
125.09614	31.3
131.08549	23.9
133.10124	43.2
135.11668	26.8
140.14348	28.9
143.08516	19.0
145.10100	32.3
147.11668	16.2
149.13388	12.7
153.45261	11.2
159.11707	35.8
161.13271	26.4
169.10121	13.7
173.09521	11.6
173.11697	26.1
173.13213	24.5
175.14825	13.9
185.13205	15.6
187.14813	20.1
189.11179	24.6
189.16417	20.0
199.14731	14.0
201.16388	13.5
227.12711	30.8
229.14397	19.9
241.19527	19.2
245.13689	16.3
277.21600	17.1
286.20145	18.0
351.25452	17.9
368.28067	13.6
404.24692	13.5
404.34018	16.5
405.22653	41.4
405.35205	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	53.6
56.05028	12.3
57.03429	23.5
61.32582	10.7
67.05501	64.9
69.07057	35.8
71.08625	53.3
71.58029	20.7
79.05488	71.5
81.07044	100.0
83.05009	19.7
83.08614	45.4
88.15922	13.7
91.05473	29.9
93.07045	62.1
95.04941	21.7
95.08617	70.0
97.10179	73.0
99.08067	41.3
100.31541	14.3
105.07029	41.1
107.08583	49.5
109.10142	63.0
117.07040	13.8
119.08588	50.4
121.10135	45.7
125.09635	47.8
129.07014	14.5
131.08589	16.3
133.10109	30.0
135.11662	23.9
138.50551	11.4
140.14297	26.1
140.66687	11.9
143.08536	23.7
145.10112	36.8
151.11136	16.3
154.52513	12.9
155.08611	16.5
159.11722	18.4
161.13246	19.1
163.14809	14.9
173.11765	36.7
173.13245	16.7
175.14857	16.3
187.14764	25.6
189.11217	37.5
194.15321	14.7
199.14784	17.9
216.14572	12.0
227.12781	32.0
229.14262	20.5
253.17888	20.6
261.77350	13.1
268.19128	18.5
277.21591	25.5
286.20081	26.9
351.25311	36.7
368.27969	21.2
386.23856	23.7
397.91513	12.0
404.24893	26.4
405.22012	26.7
405.35114	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42632	8.5
69.03419	15.7
70.06588	25.8
70.85729	18.7
71.50233	9.3
72.08149	9.2
81.07075	12.9
84.87711	10.4
85.02904	45.5
86.09707	23.7
91.05503	23.3
97.02905	10.4
104.51501	11.0
105.07028	20.9
107.08588	33.3
119.08575	24.5
123.11688	25.3
131.08516	16.3
135.08058	17.7
138.06592	10.2
145.10120	15.4
147.08087	14.8
149.09583	17.5
150.56100	9.6
156.09354	18.9
157.02412	10.3
161.13364	12.5
171.11696	23.6
183.20084	9.9
189.12750	45.6
207.13811	100.0
397.35782	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72344	11.5
67.05503	23.7
69.03411	10.9
70.06605	28.7
70.86098	21.3
71.05019	14.6
79.05507	19.4
81.03390	10.2
82.20070	10.2
85.02895	51.0
86.09703	30.5
91.05450	11.8
93.07053	26.6
105.07032	27.0
107.08567	14.2
107.27212	9.3
119.08602	27.0
119.97495	10.4
121.10141	15.7
121.80997	11.3
123.11758	15.3
131.08543	17.2
135.08086	16.4
143.08585	13.9
145.10097	13.0
147.11716	30.4
150.06755	10.5
156.09315	19.4
161.13309	13.6
170.01715	11.1
171.11760	33.7
189.12746	60.3
207.13751	100.0
281.09152	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40421	2.1
55.01864	3.1
55.05506	3.0
56.96532	2.6
67.05497	5.6
69.03445	2.2
69.07072	2.5
69.23849	15.5
69.24263	5.9
79.05487	8.6
81.03392	2.7
81.07053	11.1
83.04977	2.5
85.02892	2.4
91.05471	8.9
93.07063	5.4
95.04996	2.6
95.08612	3.4
97.06541	3.6
98.09728	2.1
98.21471	3.1
105.07024	4.1
107.04919	5.3
107.08598	2.6
109.02880	2.6
109.06542	2.6
117.07048	2.9
119.04927	2.5
119.08599	2.4
120.08141	4.5
121.06490	2.7
121.10136	2.4
129.06981	4.9
131.08536	3.0
133.06425	2.5
133.10136	2.2
136.06128	2.7
137.05972	4.5
139.03891	2.4
145.06354	1.9
145.10121	4.6
147.04410	4.4
148.07533	3.3
149.02382	2.1
152.11938	2.0
159.11629	2.2
161.05986	4.0
167.07047	2.1
173.05875	2.3
175.03773	2.3
177.05389	2.4
179.03305	2.1
181.05016	6.0
187.11102	2.9
189.05502	3.7
191.10638	2.2
197.09644	3.0
199.11124	2.9
215.10785	3.0
217.04939	2.9
221.04424	5.6
233.11681	4.9
251.10658	2.7
269.11731	7.0
287.12701	6.3
297.11148	4.0
305.13779	2.7
315.12192	13.0
333.13300	100.0
351.14276	19.5
352.81546	2.3
364.95651	2.0
394.80475	2.1
404.23911	2.3
416.15991	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	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05503	3.9
61.12811	1.6
67.05503	4.1
69.03440	2.4
69.07056	3.9
70.06561	2.6
71.09583	2.0
71.09906	3.3
79.05479	6.3
81.03435	2.4
81.07044	7.0
83.05002	2.1
85.02882	3.2
86.90145	1.5
91.05466	7.8
93.07037	6.8
95.04980	3.3
95.08604	2.5
97.06540	2.3
100.54589	1.6
103.05447	2.7
105.07030	4.8
107.04946	4.3
107.08628	2.7
109.02852	2.6
115.05428	2.3
117.07059	3.0
119.04983	2.3
119.08584	4.8
121.02891	2.6
121.10128	2.5
123.04422	2.8
125.02363	1.7
129.06992	4.8
131.08594	3.2
133.10129	2.8
135.04405	1.7
136.06195	4.8
137.05978	6.4
139.03903	3.3
143.07185	2.0
143.08549	3.6
145.06393	3.6
145.10104	3.7
147.04396	2.5
147.08119	1.9
148.07582	3.9
149.02399	2.0
151.03932	3.9
159.11671	2.5
163.03870	1.9
163.11211	1.6
165.05476	2.5
167.07043	2.8
169.10049	2.1
173.05925	2.2
175.03940	2.9
175.07515	1.8
179.08546	2.0
181.04932	5.5
187.11118	3.9
189.05481	4.0
205.12199	3.3
211.11067	2.1
215.10689	2.5
221.04478	6.6
233.08041	3.7
233.11671	3.8
235.06146	1.7
241.12233	2.2
243.10242	2.0
244.26219	1.6
256.06787	2.4
263.09402	1.8
269.11789	3.6
275.22043	2.0
283.14319	2.2
287.12717	7.2
297.11221	4.1
303.12366	2.4
305.13846	2.7
315.12317	15.2
333.13300	100.0
334.13675	5.3
351.14413	14.2
389.22998	2.4
404.25024	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
56.57307	1.1
58.99580	18.5
69.03416	1.9
69.07079	2.9
69.92422	3.1
69.92836	5.7
76.02225	100.0
76.03986	4.6
79.05494	8.4
84.04501	35.9
86.09698	3.6
86.99052	5.0
97.06524	88.8
116.01681	25.6
116.79105	1.2
130.04988	22.1
142.03239	11.8
144.01154	12.0
162.02200	46.1
170.02690	3.3
179.04851	68.0
187.05322	1.8
215.04836	1.7
226.10863	1.6
229.14308	1.6
233.05910	22.2
245.05888	3.4
290.08047	1.8
291.06378	2.8
307.29639	1.3
308.09055	17.8
404.15250	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	403.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05410	3.9
56.04935	11.1
56.05244	2.7
57.03376	0.7
57.05256	0.8
58.04010	1.1
59.04945	0.8
60.04453	1.3
60.05548	2.2
60.05822	0.9
67.05395	6.9
67.05788	1.1
68.04958	0.9
69.03352	1.2
69.04443	9.8
69.04848	1.5
69.06956	4.4
69.97509	1.3
69.97900	1.9
70.06496	2.6
70.06826	0.9
71.04881	7.1
71.05311	1.3
72.04408	6.1
73.06461	0.8
74.02331	4.3
74.05965	8.9
74.06419	1.4
76.28472	0.7
79.05375	4.5
80.04927	1.1
81.03321	0.8
81.06938	9.5
81.07458	1.0
82.06458	4.0
83.04913	1.4
83.05974	0.7
84.04402	1.5
84.05534	1.6
84.08021	2.2
84.08474	0.7
85.02807	1.9
85.06420	0.8
86.05968	1.2
86.09610	1.1
91.05350	2.7
93.06906	9.0
94.06446	1.2
94.10667	0.6
95.04826	1.1
95.08475	4.7
96.05487	32.8
96.06165	2.1
96.08001	2.8
96.08577	1.0
97.02795	0.7
97.03899	0.9
97.06393	2.1
97.10048	1.9
97.85548	0.6
98.07057	0.9
99.05431	0.8
99.07917	1.3
102.05512	3.2
105.06918	2.0
107.08463	2.1
107.65746	0.7
108.05471	3.7
109.06283	2.3
109.10048	1.6
110.07150	6.3
110.09577	1.2
111.07887	0.8
116.08205	6.5
118.04877	2.2
118.05720	0.6
119.08469	1.2
120.06452	1.7
121.02762	0.9
121.09995	3.0
122.07037	2.9
123.11585	0.7
124.08598	1.2
128.08191	6.2
131.08493	1.2
133.10048	1.6
134.56882	0.7
135.07594	0.8
135.11603	0.9
136.08569	1.0
138.10078	0.9
138.12767	7.8
139.03723	1.4
139.10995	1.3
140.14230	0.9
142.09637	2.0
149.13165	1.1
150.05368	1.2
152.11665	2.0
153.05296	0.9
163.03793	0.9
164.14243	0.7
166.12137	0.9
168.13673	2.0
177.12602	1.0
180.14883	0.9
181.04779	1.1
184.13092	1.0
184.14496	1.0
186.14825	1.7
192.13803	0.8
194.15225	1.0
198.16052	0.7
202.14363	1.3
206.16483	3.7
210.14851	0.9
212.16319	3.0
223.13220	1.0
234.13866	0.9
234.15997	13.2
248.70566	0.8
252.17053	8.0
252.19455	1.4
254.18471	2.6
268.15509	1.0
270.18112	42.0
271.18454	1.4
283.00613	0.9
283.86801	0.9
299.13641	0.8
300.00851	1.1
302.20676	4.7
303.19101	0.9
309.13644	0.7
315.03235	1.5
325.08167	1.8
326.20706	2.5
327.23941	1.5
336.19128	1.4
348.84921	0.7
354.20016	3.1
358.23203	1.0
371.22864	100.0
372.23099	3.5
403.25507	57.1
404.25699	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	403.1963
Annotation	Spionoside B
Peak:m/z	Relative Intensity
56.96558	16.0
57.86120	14.2
69.03421	23.0
70.06581	37.5
70.92706	34.3
72.08147	49.7
81.03423	15.4
81.07046	14.7
84.04459	15.4
84.08146	15.6
85.02909	45.3
86.09711	47.3
88.03963	12.9
91.05463	22.9
93.07030	20.7
95.04932	16.6
97.02921	12.3
97.06506	18.6
105.07028	29.9
107.08587	30.7
109.06555	15.9
119.08548	100.0
121.06517	16.2
121.10130	15.8
123.08018	20.5
135.08022	25.1
135.11671	29.1
137.09615	30.5
145.28642	13.6
147.04391	15.6
151.07539	18.4
159.11697	56.8
163.11188	43.5
165.09119	17.0
177.05501	20.4
177.12740	32.6
183.44362	11.8
187.11221	25.1
205.12183	61.6
223.13298	27.5
237.02834	14.2
403.25256	18.9
404.14957	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	403.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78624	2.5
55.01849	2.7
55.05497	8.0
57.03448	4.0
67.05489	12.0
69.03411	5.6
69.07056	8.8
70.02958	26.8
70.06585	8.6
70.64046	6.8
71.04974	5.5
74.02435	25.3
79.05501	13.7
80.85015	2.6
81.03400	4.5
81.07056	23.6
83.04977	17.6
83.08600	6.1
85.02887	9.4
85.06508	4.0
86.09707	21.2
87.05593	54.5
88.03996	25.7
91.05485	16.8
93.07041	30.8
94.06540	6.0
95.04971	13.1
95.06084	2.8
95.08599	16.1
97.06519	15.2
100.15321	2.6
105.07030	23.5
107.08589	14.2
108.08141	2.8
109.02863	2.7
109.06516	7.4
109.10184	5.9
111.04435	3.3
111.05589	3.8
111.08076	15.1
114.51568	2.7
115.05054	2.9
116.03452	8.5
117.07010	4.6
119.08588	13.0
120.08083	8.5
121.06492	15.4
121.08859	5.2
121.10164	4.2
122.06028	3.5
123.04396	3.7
123.05556	3.2
123.08044	5.7
123.11666	7.7
125.05976	12.3
127.03921	5.4
133.06073	100.0
133.10123	10.6
135.08029	9.7
136.07561	40.2
137.05998	5.2
139.03865	4.1
139.07544	12.5
141.06557	3.9
143.06998	3.9
143.08572	3.6
145.10123	4.1
147.08017	3.0
147.11697	24.3
148.07585	24.2
149.08368	15.0
149.09390	2.7
149.13251	3.0
150.09126	3.9
151.03867	5.2
151.07536	5.2
151.11186	6.5
153.09103	2.8
157.10077	7.1
161.05917	2.9
163.11220	3.5
164.07014	8.8
165.12732	8.0
167.07039	4.6
169.12209	11.4
169.13484	2.4
171.11626	3.3
175.11235	18.3
177.45836	2.6
181.04970	17.6
189.12817	13.5
193.12260	19.6
199.11237	8.8
211.13219	16.1
217.12230	16.0
221.08112	5.6
223.13271	13.4
235.13287	12.7
253.14224	7.5
262.14343	3.3
271.14554	19.9
286.14447	4.4
287.05795	2.7
299.13849	38.1
304.15314	16.4
308.14938	5.0
322.16541	28.6
332.14948	4.6
340.17307	3.5
350.16153	2.9
368.17145	3.7
373.12686	4.1
375.16022	3.2
385.19476	6.8
403.15259	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	401.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01873	13.1
55.05508	14.1
57.03434	3.8
57.07074	92.5
67.05495	26.9
69.03152	2.5
69.03433	25.8
69.07069	21.3
70.06583	3.6
70.64212	2.7
70.64563	7.9
71.01374	3.1
71.04976	7.4
71.08630	74.1
73.02902	6.1
79.05460	3.3
81.03420	26.5
81.07050	39.2
83.08622	33.3
84.19933	2.5
85.02888	4.7
85.10177	37.2
87.04395	2.3
88.07632	4.8
93.07030	2.9
95.07987	3.0
95.08602	58.2
97.02888	100.0
97.10156	17.2
99.04456	42.3
99.11713	5.1
101.02357	3.3
103.34803	2.5
103.61628	2.6
109.02877	26.4
109.10155	35.7
111.11734	6.1
123.11709	16.5
125.13277	5.2
127.03919	50.7
135.46794	2.4
136.47841	2.4
137.13234	8.5
140.09653	2.8
143.49423	2.2
145.04953	4.3
147.11678	2.3
151.14818	2.5
153.12845	2.6
165.16347	4.6
221.22505	6.0
230.96513	3.7
239.23686	87.3
239.26108	4.7
240.23946	5.3
257.24600	4.4
377.14719	5.7
383.27786	3.8
401.38184	20.8
414.10883	2.6
419.15918	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	60.6
56.96561	33.5
57.03412	20.5
67.05496	52.9
69.03423	19.0
69.07066	100.0
69.50477	65.3
69.50895	61.1
79.05488	98.7
80.87224	14.5
81.07053	88.8
83.08591	44.7
86.54302	15.7
88.51756	13.8
91.05479	51.4
93.07034	77.0
94.21549	16.9
95.04945	24.3
95.08585	55.7
97.02887	16.8
97.06538	17.4
97.10167	40.5
105.07018	46.1
107.04951	45.4
107.08580	54.7
107.82318	15.0
109.02864	17.7
109.10137	38.1
117.07001	30.9
119.08562	56.8
121.10150	30.7
125.09665	25.9
131.08539	32.1
133.10141	48.8
135.08040	26.3
137.05934	16.4
143.08562	18.6
145.10117	47.3
147.11658	20.2
153.11092	16.2
157.10123	28.9
161.09596	17.9
169.10071	23.0
189.11195	28.5
227.12683	30.3
229.07545	23.8
242.09012	15.5
245.13817	21.0
247.08505	19.7
269.10629	20.3
275.20120	29.2
286.20074	34.4
290.52246	21.3
385.23904	22.0
403.24921	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	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07502	15.3
55.05508	74.1
56.93931	15.2
57.03439	20.8
58.54416	14.4
65.89649	13.6
67.05508	100.0
69.03425	17.8
69.07066	76.0
70.97211	45.8
75.79002	14.2
79.05505	74.0
81.03410	27.5
81.07055	63.6
83.04963	32.3
83.08612	35.4
84.44386	14.8
85.02908	31.5
91.05477	63.5
93.07040	40.7
95.08612	51.2
97.06536	20.3
97.10168	49.7
102.13764	16.0
105.07022	56.4
107.08564	73.2
109.10154	22.2
111.04446	19.9
117.99692	15.2
119.08578	30.1
121.10136	28.4
125.09641	46.0
127.81370	15.8
129.06995	19.1
131.08554	37.5
133.10130	20.0
142.43604	16.2
143.08568	21.4
145.10127	28.4
159.11703	18.3
189.11194	27.2
198.47343	15.1
199.00839	16.6
227.12849	27.9
255.62195	19.3
273.41391	18.4
275.19888	17.9
286.20078	22.1
366.26477	18.9
371.91672	14.4
383.96594	17.6
403.24725	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	401.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.0
57.07058	24.2
61.51716	6.6
65.03932	7.1
67.05499	23.7
69.03418	13.2
69.07062	13.8
70.70349	6.6
71.04963	11.6
71.08604	13.2
71.58955	9.4
79.05482	21.7
81.03417	11.0
81.07042	36.3
83.08629	10.0
85.02906	12.8
91.05467	44.7
93.07017	46.6
95.08590	30.5
97.02888	10.3
105.07012	84.9
107.08598	36.8
109.02875	18.8
109.06506	50.0
109.10156	14.5
111.99794	9.2
117.07017	20.4
119.08555	79.2
121.10131	17.6
127.03857	12.7
128.06213	13.4
129.07007	14.4
131.08575	58.4
133.10124	90.0
135.08008	12.8
135.11690	14.1
142.07761	26.5
143.08537	42.4
144.09294	8.9
145.10120	100.0
147.11682	15.1
155.08565	13.6
156.09328	19.1
157.10086	59.9
158.10869	13.8
159.11604	35.5
167.08545	15.0
169.10107	20.8
170.10979	14.2
171.11661	30.9
173.13213	51.9
175.14812	11.6
179.08446	16.0
181.10095	21.6
183.11662	23.8
185.13306	15.9
187.14838	44.3
193.10182	10.3
195.11592	12.8
197.13229	15.8
199.14905	11.4
201.12755	9.9
207.11766	12.8
209.13284	24.3
221.13298	9.4
235.14940	7.1
239.23518	8.3
245.13312	9.4
249.16232	9.6
252.19025	7.8
260.15543	7.6
265.19409	8.3
272.82523	8.0
303.03329	7.7
383.27676	9.4
401.27817	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84208	1.9
53.03933	2.1
55.05515	2.6
58.03018	2.1
64.03751	1.7
66.63629	1.9
67.05492	3.2
69.03439	3.5
79.05505	15.0
81.07047	3.9
83.04985	2.7
86.09686	3.3
91.05506	9.5
95.04948	4.8
96.31762	2.2
97.06519	2.3
105.07030	2.8
107.04962	27.5
107.08581	2.7
109.06528	2.8
109.52966	2.3
115.05434	5.1
116.06219	4.0
117.07007	3.9
122.03625	2.1
123.04427	7.3
124.05203	7.2
125.06043	5.9
128.06206	2.5
129.07005	9.5
131.08559	12.3
132.05701	2.2
135.50912	2.1
137.05998	4.0
141.07011	6.1
144.05698	7.1
145.06467	7.4
147.04390	2.9
149.06006	2.2
152.04651	4.0
152.06221	2.1
153.05406	2.9
156.05705	12.8
157.06459	4.4
158.07249	4.1
159.08055	16.3
161.05916	2.6
163.03818	2.6
165.06972	2.4
167.07042	100.0
169.06389	2.8
173.05959	3.8
175.07510	2.8
179.07072	4.0
181.04886	4.1
181.08571	2.8
184.05203	4.5
186.06693	3.5
187.07555	11.9
190.07747	2.4
191.08601	4.7
195.06412	2.8
202.06305	7.9
203.08546	3.3
205.06721	3.3
205.08568	20.0
207.06468	6.7
208.05186	24.1
208.08781	3.0
209.08022	2.8
217.08571	36.0
218.07225	4.9
219.08038	15.3
219.10172	8.8
220.08711	3.9
221.05959	7.5
223.11131	2.1
224.04691	2.7
229.08519	6.4
231.08029	8.2
231.10043	2.8
233.05972	3.0
233.09622	7.4
234.06744	2.7
235.07590	4.5
236.04626	7.1
236.08298	4.3
237.09279	2.4
239.06956	4.0
245.06123	2.0
245.09612	5.0
246.06732	2.7
247.07463	15.4
247.09682	26.2
248.08240	12.4
249.05405	4.9
249.09062	5.8
250.06149	4.0
251.10677	3.3
254.05765	7.4
259.07422	3.1
261.09125	5.8
262.09683	4.8
263.07050	5.4
263.10660	8.4
264.04303	2.0
264.07834	8.9
265.08563	5.1
267.06409	7.0
269.08099	17.3
271.09674	9.0
272.06818	4.0
275.07025	8.8
276.07721	8.3
277.08633	4.8
279.07184	2.5
279.09982	9.9
282.08859	15.8
285.07660	2.6
290.09354	5.4
291.10214	17.0
292.10846	2.1
293.08072	8.8
295.09799	2.5
299.09039	7.1
300.06311	2.6
301.06973	3.2
304.07407	3.2
307.06445	2.3
307.09387	10.0
308.10413	8.7
309.07626	2.6
309.11154	3.1
310.08447	8.6
311.12854	3.5
315.08627	67.6
316.09158	4.0
319.09711	10.7
321.07562	4.2
321.11041	3.8
322.08286	2.9
322.11987	2.2
323.09360	3.8
323.12756	17.2
323.16284	3.0
328.09363	4.2
330.10959	65.4
331.11749	12.8
336.09747	5.5
337.10651	7.4
339.12143	10.7
341.13928	2.4
343.11786	23.1
351.12271	27.6
352.12796	5.6
353.10150	7.2
356.12537	5.1
368.12430	10.0
369.13123	3.6
371.14923	4.2
383.14908	60.8
384.15927	2.2
401.16135	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01846	1.9
66.35368	1.7
67.05501	3.2
69.03424	4.0
69.07035	2.1
69.74136	2.0
70.60468	4.2
78.04703	2.4
79.05484	18.1
81.03417	4.2
81.07037	6.9
83.04960	2.4
85.02868	2.6
86.09719	1.8
91.05482	11.9
93.07030	4.0
95.04981	6.8
95.08598	3.6
97.02872	2.2
103.05461	3.5
105.07005	5.4
107.04945	31.8
107.08596	3.2
109.06516	3.7
115.05460	4.6
117.07007	5.5
119.08577	2.6
119.92300	1.9
122.95792	1.8
123.04420	7.0
124.05238	4.2
125.05975	5.3
128.06248	3.0
129.06998	7.8
131.08516	8.8
133.10083	1.9
135.11708	3.9
137.05942	2.8
141.06944	3.2
144.05690	8.8
145.06485	6.6
145.10117	2.3
146.30028	2.2
147.04416	2.5
151.03841	3.5
152.04680	4.3
153.01814	5.2
153.05447	4.3
156.05693	15.3
157.06490	3.7
159.08026	17.8
161.06030	2.5
163.03862	2.6
167.07042	100.0
170.07104	2.0
173.05882	4.7
175.07629	3.0
177.05513	2.5
179.06914	3.4
181.05016	3.0
181.08620	4.7
182.07224	2.9
184.05199	4.9
186.06808	3.7
186.38008	2.0
187.07614	11.2
189.06946	2.9
190.07764	2.2
191.06987	4.2
194.07394	1.9
195.06578	2.6
202.06226	5.5
202.07887	4.2
203.08574	3.5
205.06828	2.9
205.08530	11.2
207.06580	4.7
208.05176	21.4
208.08946	2.1
209.05850	2.4
210.06839	3.2
211.07552	4.0
215.08675	2.6
217.08559	35.2
218.07269	3.7
219.08043	11.4
219.10168	6.2
220.08879	5.8
221.06024	9.0
221.09726	3.4
222.06450	2.2
226.06178	2.5
229.08618	6.7
230.07326	2.5
231.08110	7.5
231.10114	2.7
233.09631	6.0
234.06697	3.9
235.07564	4.5
235.11250	2.1
236.04723	6.2
236.08336	4.5
238.06227	3.5
240.04221	1.9
245.09703	4.1
246.06729	2.6
247.07504	11.6
247.09689	21.2
248.08293	13.4
248.10460	2.2
249.05714	3.2
249.09065	2.9
250.06401	2.8
251.10851	2.6
254.05739	5.7
257.04355	4.7
259.07629	3.3
261.09134	6.4
262.09860	3.7
263.07047	3.5
263.10611	8.1
264.07858	5.6
265.08633	6.4
266.05719	2.6
266.70624	2.1
267.06497	7.4
269.08115	17.8
271.09659	8.7
272.06766	5.4
275.06989	5.9
276.07797	5.9
277.08542	5.5
279.10233	10.2
282.05423	4.0
282.08859	16.7
284.06555	2.3
290.09360	5.9
291.10086	13.8
292.07373	4.6
292.10715	2.2
293.07999	6.9
293.11276	2.3
299.09152	8.1
300.06409	2.6
301.06906	3.5
305.07996	2.6
307.09583	11.3
308.10410	6.3
309.11072	2.4
310.08319	7.7
311.12732	4.2
315.08633	53.6
316.08972	2.7
319.09595	9.9
321.07550	2.7
321.10867	4.0
322.08313	2.9
322.12219	2.6
323.09338	3.2
323.12732	17.3
328.09470	4.6
330.10959	64.3
331.11792	14.6
336.10013	6.1
337.10660	8.3
339.12363	8.7
343.11713	21.2
351.12289	23.5
352.13028	3.8
353.10239	5.3
368.12573	9.0
369.13315	3.4
371.14777	3.5
372.98196	2.2
383.14859	57.4
401.16000	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	400.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05504	3.6
56.05036	1.7
57.07071	14.6
58.06594	4.2
59.04978	0.4
64.25632	0.3
67.05505	2.0
69.07047	1.3
69.51488	1.0
69.51917	1.5
70.06565	0.9
70.71984	0.3
72.04479	1.0
78.58933	0.3
79.05462	1.1
81.07027	1.2
83.08605	1.2
84.04482	0.9
85.02931	0.3
86.09671	0.6
88.44321	0.3
91.05458	0.5
97.10165	4.7
98.06049	15.2
98.09684	0.8
99.09244	0.3
100.06997	0.4
100.07612	7.0
101.58553	0.3
105.06979	0.4
107.08591	0.8
109.10154	2.6
112.07579	3.5
120.08070	1.3
121.08386	0.5
122.24461	0.3
125.09624	4.8
126.12781	1.0
127.11184	14.6
141.10172	0.7
154.12268	3.2
182.15396	25.8
183.15814	0.4
183.18544	1.1
184.16959	69.8
185.17291	0.8
199.18062	0.7
200.16444	42.3
201.16789	1.1
201.19460	0.3
239.21407	0.4
241.22649	0.4
258.25308	0.5
274.24783	0.3
300.26447	0.4
382.34125	3.0
383.32504	0.5
400.35315	100.0
401.21210	0.7
401.35611	3.3
407.35394	0.3
409.75912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	18.7
71.55887	3.3
98.97584	67.6
100.97189	3.7
103.10545	2.1
116.98620	92.0
118.98218	2.7
118.99009	3.2
134.99654	100.0
153.00693	20.2
158.01221	3.8
177.00922	2.6
190.95428	6.2
194.72150	2.2
208.96446	5.6
214.95512	2.1
216.98782	2.4
219.02019	4.8
232.96481	10.2
234.93860	1.7
234.96440	5.1
234.99864	6.4
236.99713	6.3
250.97507	8.3
252.97456	5.0
255.00891	3.1
256.96487	9.7
258.96884	3.2
258.99750	19.6
260.00226	2.9
260.99832	10.3
261.02942	4.2
263.02942	4.1
274.97507	99.2
275.97812	11.6
276.94089	2.6
276.97568	28.3
277.00870	41.1
279.00784	16.8
281.00598	2.6
283.00052	6.2
284.99954	7.6
292.98550	92.6
293.98920	8.0
294.98618	19.6
297.99130	6.9
300.14554	2.3
300.97598	10.8
301.01083	21.5
302.01193	5.0
303.00827	27.5
304.00995	6.5
310.99677	2.9
316.00140	7.4
316.98767	2.9
317.98981	3.3
318.98584	41.6
319.02072	4.3
319.98679	3.5
342.00143	2.7
358.98630	1.9
376.99051	15.6
400.00610	2.7
401.01395	6.9
418.98114	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	400.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05505	6.0
56.05029	2.1
56.96561	1.6
57.03436	1.3
58.06603	5.5
63.51049	1.1
64.28316	0.9
68.05006	2.2
69.03409	1.5
69.40692	0.9
69.71173	6.1
70.06589	26.1
72.08151	100.0
79.05502	1.4
81.07041	4.6
83.08610	3.6
84.08140	18.6
85.02892	3.0
85.07666	6.7
86.09682	1.1
87.05573	2.0
91.05470	1.6
93.07056	1.5
97.02866	1.5
98.09677	14.8
99.08122	0.8
102.05527	1.1
105.06964	1.0
107.04921	0.9
108.08105	2.7
109.06500	2.8
110.07156	1.3
110.08907	2.1
110.09674	41.0
112.07600	1.3
112.11237	17.1
113.07111	2.9
115.12315	8.2
119.04961	1.5
127.12316	6.6
129.13841	4.3
134.99614	1.0
136.06160	2.9
138.09117	1.8
140.14340	6.6
141.64333	1.0
142.04951	1.0
147.04364	1.6
152.07045	1.7
152.14340	26.0
152.15567	1.3
155.11829	1.7
155.15364	2.2
156.14934	5.0
157.16997	24.1
157.18228	1.8
166.08652	3.2
176.07083	0.9
178.12273	3.8
184.09715	4.0
190.08640	1.1
191.07202	1.1
193.10866	0.9
194.07964	1.4
194.11752	11.4
195.12546	1.6
206.11742	2.8
209.20137	1.8
222.11247	7.9
224.12787	3.0
226.22768	73.1
227.23013	1.2
232.13383	1.2
236.12935	1.3
238.10696	1.2
254.13826	2.0
259.14572	1.3
260.12842	2.4
262.18829	1.0
265.19104	2.4
277.15466	3.0
278.13861	3.1
281.21045	1.2
282.21765	1.6
292.19998	1.0
293.15088	2.1
294.13281	1.8
295.16531	3.2
296.14914	7.1
304.19885	0.9
311.16055	6.6
313.17499	5.4
314.16129	2.4
322.21118	4.7
340.22354	1.2
346.21149	6.5
348.58505	0.9
364.22400	5.6
382.23291	13.3
383.21472	5.1
400.12775	1.7
400.24393	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05514	3.8
56.05024	2.6
56.96560	4.9
57.03429	2.4
58.06587	2.3
64.23916	1.4
69.03410	1.9
70.06594	21.9
70.72903	5.5
72.08154	100.0
73.02930	2.0
79.05462	1.7
81.03401	1.6
81.07076	4.0
83.08596	3.9
84.08140	16.6
85.02884	3.1
85.07658	7.6
86.09704	7.0
97.02885	6.4
98.09688	14.0
98.97589	3.5
107.04930	1.9
109.06533	4.1
110.09671	32.1
112.11247	12.6
115.12331	6.0
119.04919	2.2
123.10465	2.3
125.15633	1.7
126.09187	2.8
127.12331	5.0
129.13873	2.4
132.10167	2.9
136.06177	17.3
140.14366	4.8
146.99684	2.2
152.07031	2.9
152.14359	20.6
154.44533	1.8
156.14970	7.3
157.17000	14.6
158.25841	1.9
166.08672	3.6
178.12250	2.1
184.09726	2.4
186.96878	4.3
193.00227	1.8
193.10980	1.8
194.11777	11.5
199.79852	1.8
204.97789	2.9
206.11792	2.7
208.96588	2.0
222.11215	17.0
224.12965	1.8
226.22778	49.1
251.09589	2.5
265.19202	3.8
268.10428	2.1
277.15399	1.9
278.13986	3.1
281.21094	2.4
282.21802	4.4
293.14923	2.9
293.18811	2.3
294.13297	2.8
295.16525	3.6
296.15027	5.7
311.16040	5.3
313.17542	4.4
314.15918	2.3
346.21234	3.8
364.22339	6.0
365.20792	1.8
382.23297	16.4
383.21710	6.5
400.24493	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	399.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01879	9.3
55.05507	15.9
57.03437	3.4
57.07062	4.3
65.03918	2.6
67.05177	2.4
67.05508	32.9
69.03426	4.9
69.07073	20.0
70.06582	1.9
71.01342	1.2
71.04993	4.5
71.08627	1.9
71.57493	1.3
71.57899	2.6
79.05489	28.1
81.03419	31.1
81.07053	51.1
82.03711	1.2
83.04990	6.2
83.08619	6.6
85.02886	3.6
85.06532	2.3
87.04450	1.4
91.05477	56.6
93.07042	46.3
94.07398	1.8
95.01320	2.3
95.04967	50.5
95.08606	59.2
97.02873	3.6
97.06522	4.9
97.10145	4.9
103.05462	4.8
105.04589	1.4
105.07030	47.0
107.04951	27.6
107.08587	31.1
108.08175	1.2
109.02865	5.9
109.06534	14.6
109.10159	34.6
111.04447	4.8
111.08078	2.6
111.11694	1.9
113.81540	1.4
115.05445	4.4
117.07008	18.1
119.04916	3.1
119.08580	48.2
120.08100	2.6
121.06497	27.3
121.10130	21.8
121.54276	1.1
123.04426	6.9
123.08060	6.0
123.11690	11.3
125.09667	1.4
128.06209	4.8
129.07022	6.7
130.07817	1.4
131.04968	1.3
131.08577	15.7
132.05692	2.0
132.08127	1.6
133.06503	11.5
133.10120	28.5
134.09615	2.0
135.08043	11.7
135.11694	12.5
136.07581	1.6
137.05991	8.1
137.09605	11.2
137.13234	3.9
138.09145	1.4
139.07590	1.4
139.11198	2.2
142.07753	2.0
143.08556	12.0
145.06488	7.8
145.09064	1.6
145.10121	14.5
146.07288	3.0
147.08046	51.1
147.11655	14.8
149.09619	8.9
149.13251	8.5
150.09175	1.6
151.07599	2.0
151.10001	1.9
151.11189	5.1
155.08572	2.8
155.10655	2.2
157.10130	10.0
159.08061	16.2
159.11679	10.8
160.08780	3.0
161.09612	42.9
161.13245	10.3
162.09105	3.5
163.11188	5.5
163.14769	4.4
164.07117	1.7
165.09129	3.6
165.12848	1.4
166.04996	3.7
169.10092	3.0
171.08101	1.3
171.11641	5.9
171.58156	1.5
173.09610	5.2
173.13232	6.2
175.11148	7.2
175.14847	4.4
176.14339	1.6
177.09105	3.5
177.16280	1.2
178.04970	7.8
178.12202	4.0
179.10634	2.9
179.14236	1.3
180.13782	11.1
183.11725	3.0
185.09709	1.5
185.13258	4.9
187.11134	3.0
187.14844	4.2
188.10820	2.1
189.16405	3.7
192.06519	4.8
197.13342	1.6
199.11189	1.8
199.14810	1.5
201.12703	2.4
201.16309	1.6
203.14357	1.9
204.13783	8.1
206.15411	33.5
206.17406	1.7
207.15759	2.5
211.14801	1.7
213.12764	1.7
213.16260	1.8
215.14351	1.7
215.18004	2.4
225.16400	1.5
229.15860	2.1
231.17365	2.0
246.11307	1.8
271.24292	2.1
283.10898	3.3
289.18222	1.9
301.11890	4.7
313.03632	1.7
329.11182	1.4
339.26822	1.7
341.24622	2.0
353.28366	2.5
355.26343	2.5
357.27881	1.5
363.26709	2.6
369.27802	2.8
371.29489	3.5
381.27783	11.8
382.27579	1.9
399.10825	4.7
399.19489	15.3
399.28934	100.0
400.19589	2.0
400.29205	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	399.191
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
55.01856	1.3
55.05499	3.3
57.03413	1.2
57.07059	0.9
62.37796	0.6
65.03934	1.7
67.05505	6.5
69.03419	1.2
69.07060	5.0
70.06588	18.0
71.04976	0.8
71.06928	0.8
79.05486	3.6
81.03397	0.7
81.07046	6.1
83.04962	1.4
83.08625	1.0
84.08118	1.6
86.09697	11.3
91.05447	6.0
92.05003	1.5
93.07032	5.8
94.06566	2.0
95.04944	3.2
95.08604	3.8
96.08112	0.8
97.02858	0.9
97.06506	1.2
99.04488	0.7
103.05464	4.3
105.07026	5.0
107.04965	0.8
107.08587	7.3
108.08115	2.2
109.06528	1.4
109.10145	2.4
110.09650	0.7
117.07011	1.7
118.06557	0.9
119.04941	0.8
119.08568	2.3
120.08093	32.2
121.06507	1.3
121.08430	2.1
121.10133	1.6
122.09656	2.4
123.08042	1.2
123.11681	1.0
124.07604	1.6
125.59401	0.7
130.06506	1.7
131.08572	1.3
132.08080	1.9
133.10123	4.2
134.09654	5.8
135.08023	1.6
135.11658	1.9
136.07553	4.2
136.11189	2.2
138.09132	2.7
143.08514	1.0
144.08049	0.8
145.10034	1.0
146.05980	1.3
147.04404	0.8
147.06804	0.8
147.08003	1.0
147.11674	0.8
148.07594	0.7
148.11179	1.5
149.12029	1.0
149.13184	0.7
150.05486	2.2
150.09113	2.7
150.12788	2.0
151.09909	3.4
151.11087	1.5
157.10100	0.9
158.09654	0.8
159.11690	1.7
160.07558	1.7
160.11221	1.0
161.09666	1.0
162.09111	17.2
163.13556	0.7
164.07079	3.0
164.10680	6.6
166.04985	14.3
171.06747	0.8
171.11630	0.8
175.08632	0.9
176.10696	2.5
176.14267	5.7
177.11481	3.1
178.04948	5.2
178.12236	9.5
178.15892	2.9
180.13821	19.0
188.10661	1.7
188.14348	2.2
189.16566	0.8
192.06519	4.2
192.13829	0.8
199.08594	1.0
199.12248	0.8
199.90132	0.6
200.10635	1.1
202.12238	1.3
204.13820	36.0
205.14514	1.5
206.15381	77.7
207.15697	1.8
209.12878	2.3
212.09395	3.4
218.15475	1.7
220.13394	0.9
227.11729	3.5
228.10197	1.7
239.08212	1.0
240.08629	0.8
243.07547	1.0
244.09688	2.4
246.11266	3.3
248.12726	1.2
250.14398	0.9
255.11290	3.6
257.09177	1.7
257.12845	1.9
269.09116	0.8
270.09979	1.2
272.09036	2.2
272.11624	1.3
273.12512	1.3
283.10742	19.4
283.13904	1.3
284.11224	0.9
285.08978	1.2
285.12277	1.6
301.11832	13.9
307.18082	0.9
311.10379	1.5
312.95029	0.8
325.19110	0.8
329.07419	1.1
329.11273	15.9
335.17401	1.1
353.18375	3.9
356.19684	1.8
363.17215	0.8
371.19574	4.2
381.17917	5.8
390.19992	0.8
396.79599	0.6
398.34726	0.7
399.19104	100.0
400.19434	3.6
419.78766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01873	1.3
55.05499	3.0
57.03431	1.4
57.07070	1.2
65.03926	1.4
65.33981	0.6
67.05502	5.4
69.03419	0.9
69.06714	0.9
69.07060	5.7
70.06588	17.0
71.08633	0.9
71.57704	1.2
72.23518	0.7
74.18410	0.6
77.41248	0.7
79.05483	4.6
81.03402	1.2
81.07056	7.5
83.04983	1.7
83.08620	1.3
84.08145	0.9
85.02913	0.9
85.10204	0.8
86.09701	11.1
91.05476	4.6
92.05029	0.8
93.07030	6.2
94.06557	1.6
95.04968	1.6
95.08582	3.9
96.08134	1.5
97.02873	1.4
97.06551	1.8
97.10217	0.9
100.96535	0.6
103.05455	5.0
105.07029	5.2
105.81994	0.7
107.04935	1.2
107.08594	8.8
108.08109	2.4
109.06516	1.5
109.10146	2.4
111.04415	0.9
117.06997	1.9
118.06528	1.4
119.08567	3.2
120.08097	30.1
121.06477	1.2
121.08395	1.4
121.10123	3.2
122.09625	1.6
123.04409	0.8
123.08079	1.0
123.11667	1.5
124.07549	1.3
131.08549	1.8
132.08076	2.0
133.08907	0.5
133.10121	2.8
134.05968	0.8
134.09659	5.9
135.08003	0.9
135.11682	2.9
136.07588	3.9
136.11209	2.0
138.05501	1.0
138.09129	2.5
143.08522	0.8
144.08115	0.7
145.10123	1.9
146.05989	1.1
146.09660	0.7
147.06683	0.9
147.11641	0.8
147.57976	0.6
148.11157	1.1
149.08344	0.7
149.09535	0.9
149.12000	2.2
149.13196	1.0
150.05551	1.3
150.09131	2.5
150.12779	2.4
151.09933	4.1
151.11195	1.3
152.10696	0.8
153.01848	1.2
157.09990	0.7
158.06085	1.0
158.94064	0.6
159.11684	1.5
160.07561	0.9
161.06050	0.9
161.08394	1.0
161.09589	1.4
161.13275	0.7
162.09129	17.0
163.11096	0.8
164.07120	3.7
164.10719	7.5
166.04991	11.5
171.05292	0.7
171.06662	1.3
176.03484	0.6
176.10696	1.9
176.14333	6.0
177.11485	2.5
178.04973	4.6
178.12257	10.0
178.15793	3.7
180.13834	17.6
187.11246	1.0
188.10698	1.2
188.14316	1.3
190.12219	0.9
192.06526	6.3
192.13760	1.3
198.07800	1.2
199.08684	1.6
200.10658	1.2
202.12329	0.8
202.16986	0.8
204.13829	37.1
205.14513	2.0
206.15392	84.9
207.15752	2.5
209.12897	2.1
210.12981	0.7
211.08844	1.0
212.09439	2.4
218.15414	1.1
220.13306	1.0
225.02661	0.7
227.11763	4.0
228.10220	1.3
229.13448	0.9
237.10358	0.9
239.08246	1.0
244.09715	2.0
246.11273	3.3
250.14462	0.9
253.09906	0.7
255.11259	4.9
257.09262	1.2
257.12903	1.2
267.14822	0.7
269.09076	0.9
272.09171	2.8
272.11737	0.9
273.12344	1.8
283.10770	21.5
283.13971	1.1
285.08801	1.1
285.12302	1.6
299.21216	0.8
301.11838	15.0
311.10355	1.1
311.68384	1.5
329.11307	15.1
335.17603	1.7
353.18503	3.3
356.19559	1.8
370.15665	1.0
371.19601	4.0
381.18069	5.9
381.21838	0.7
399.19116	100.0
400.19449	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	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01863	1.3
55.41570	0.6
57.03433	7.0
61.02926	3.1
68.34251	0.7
69.03431	10.9
70.06581	2.0
70.53772	1.4
70.54114	1.3
71.04996	1.8
72.08131	0.9
73.02919	1.6
75.04467	1.6
79.05473	0.9
81.03410	5.0
85.02902	24.9
86.06071	0.7
86.09697	2.2
87.04434	0.9
91.03931	1.5
91.05494	1.1
95.04948	1.8
97.02891	8.7
98.97601	0.8
99.04450	2.7
102.04670	0.9
103.03960	2.7
103.05465	52.3
104.05800	0.7
105.07005	1.7
109.02863	2.9
115.05447	0.7
115.33898	0.6
117.05554	1.2
127.03903	5.6
129.05463	0.6
129.06964	0.8
130.04097	1.1
131.04926	100.0
132.05289	0.7
132.82840	0.7
132.83795	0.6
133.06482	1.6
136.02283	0.6
136.06154	1.3
137.05951	0.8
137.63673	0.7
145.04944	3.2
148.05176	12.4
161.06000	4.0
162.06813	0.9
163.07538	43.1
175.07584	1.1
192.08452	0.7
201.09109	2.4
237.11241	1.4
323.79691	0.8
398.57053	0.7
399.16080	0.7
424.04483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99272	1.1
55.54979	1.1
55.89563	1.1
56.05035	2.8
56.96558	3.6
58.75463	1.0
61.01180	1.6
69.03420	2.7
70.06046	5.4
70.06584	2.9
71.08617	3.1
72.08127	1.8
73.20163	1.1
79.89172	1.1
81.05143	1.5
84.08171	1.8
84.96027	1.2
85.02903	4.8
91.05460	1.1
91.52769	1.2
94.19531	1.2
97.02890	14.9
98.97573	1.7
102.05531	4.8
116.98626	2.9
134.99670	1.8
136.06187	20.6
145.03268	1.3
146.05994	10.5
146.99677	1.4
147.06670	1.3
147.07941	1.3
152.05121	1.4
160.07501	1.4
173.07135	5.1
174.05540	4.4
175.08583	1.7
188.07091	2.3
191.08157	5.3
199.08575	1.3
201.06573	1.9
213.00851	1.5
219.07620	8.4
233.09225	1.6
237.02667	1.7
237.08688	5.4
249.02516	1.4
250.09354	14.9
250.56056	1.4
264.09326	1.4
279.09772	2.6
283.46774	1.2
298.09628	1.8
357.06595	1.5
381.11841	4.4
399.12625	100.0
400.13068	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	399.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
60.12338	0.5
69.07050	1.7
72.76999	0.5
81.07055	1.2
83.04926	0.6
85.36990	0.5
93.07016	0.6
97.02884	0.9
98.21633	1.2
105.07044	0.7
107.08564	0.9
112.11871	0.5
119.01908	2.4
157.05176	0.5
161.02905	1.7
187.00766	1.3
195.22760	0.5
201.03671	0.7
223.70950	0.6
227.05179	0.8
229.87166	0.6
243.04703	6.7
255.45558	0.6
256.81100	0.6
271.04184	2.3
277.94324	0.7
287.03720	21.3
288.03827	0.7
289.05301	2.1
295.15176	0.7
313.16214	3.7
355.17264	19.0
399.16232	100.0
400.16727	3.1
407.26648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50645	0.7
55.01870	1.6
55.05494	2.9
56.05018	0.8
57.03416	0.7
60.99969	0.7
67.05508	4.4
68.03234	0.8
69.03424	1.0
69.07058	4.0
70.49907	1.2
70.50241	1.5
79.05482	2.0
81.03374	1.2
81.07057	3.5
83.04986	3.7
83.08624	1.0
85.02895	1.3
86.09692	0.9
86.26190	0.7
91.05473	2.5
93.07017	2.8
95.04927	1.0
95.08613	4.0
97.02898	1.9
97.06530	1.9
101.00832	1.2
105.00444	0.7
105.07021	2.3
107.08563	2.1
109.10092	0.9
111.04399	0.9
119.01900	5.6
119.08570	1.9
120.08069	0.9
123.11742	1.1
130.06491	1.4
131.01897	0.9
131.08519	1.0
133.10115	1.0
136.06190	1.1
137.02917	1.1
137.05940	0.9
143.01912	1.4
145.10097	1.0
146.05980	0.8
147.11664	1.4
149.13254	1.0
153.01825	1.0
157.03535	0.7
158.06046	1.2
159.11746	0.8
161.03011	1.8
187.00885	1.5
203.04237	0.9
205.01846	0.9
227.05234	2.1
231.07690	1.0
271.04190	3.5
271.16995	0.8
287.03729	2.2
309.17340	2.6
313.03250	1.5
313.16165	3.9
327.18405	1.9
331.15976	1.2
337.16257	1.3
355.08105	1.2
355.17227	31.5
377.17667	0.7
381.21564	0.9
381.28058	0.9
399.11096	5.0
399.16202	100.0
400.16611	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	399.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77128	0.8
55.05501	0.8
56.05029	1.7
56.96556	1.7
64.81322	0.7
69.03455	1.0
69.07044	0.8
70.06585	1.7
71.08579	1.0
71.09403	1.5
71.71191	0.8
74.06097	0.8
75.69495	0.7
84.08118	0.7
97.02888	4.8
100.75579	0.7
102.05527	2.0
104.91300	0.7
110.07157	1.2
120.08044	0.9
136.06184	7.0
147.06467	1.2
170.22453	0.7
189.53745	0.6
246.45599	0.7
250.09421	5.5
274.36530	0.8
309.70035	0.7
351.10760	0.9
399.12634	100.0
400.12936	1.7
420.88315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65619	0.5
54.98637	0.5
55.02048	0.5
56.96566	13.3
62.53112	0.5
70.39137	0.9
70.39517	0.9
71.95270	2.3
79.12332	0.5
96.14593	0.5
96.37542	0.5
98.97578	56.6
116.98617	72.3
119.01919	1.4
130.93294	1.0
134.31485	0.5
134.99655	63.0
140.00183	2.3
153.00713	11.4
158.01228	3.4
172.94368	1.5
177.00984	1.2
179.00636	0.7
190.95386	5.8
192.98746	1.0
208.96509	4.4
214.95457	1.4
219.01891	0.7
232.96465	8.4
234.99803	1.6
250.97530	7.8
256.96436	12.4
258.99918	3.0
259.99951	0.6
261.03058	1.8
263.02713	0.8
273.98987	0.6
274.97504	100.0
275.97797	2.0
277.00876	6.2
279.00662	1.0
280.80505	0.6
282.99991	1.1
288.92352	1.0
290.95325	0.8
292.98553	99.6
293.98911	1.1
297.99121	7.0
298.97623	3.7
299.97913	0.7
301.00925	2.9
302.01297	1.2
306.99893	0.6
310.99588	1.5
316.00079	4.4
316.98758	9.7
317.98911	1.8
340.00653	0.5
372.94690	1.3
374.99268	4.1
398.97537	0.8
403.41638	0.6
410.89053	0.6
411.89594	0.7
416.98648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05503	5.8
59.21806	1.0
67.05502	10.8
69.07062	9.1
69.26888	9.7
69.27311	4.1
79.05485	10.3
81.06585	2.2
81.07049	27.1
83.08616	3.7
91.05482	11.1
93.07038	26.4
95.04971	2.4
95.08597	24.0
97.10173	2.1
98.21519	2.4
101.17016	1.1
105.07021	36.2
107.08582	32.6
109.10143	9.0
111.08102	1.6
117.07011	1.6
119.08572	34.7
121.10137	17.1
123.11732	2.4
131.08546	3.5
133.10124	23.2
135.11649	6.5
143.08597	1.6
145.10103	5.4
147.11668	23.0
149.13248	100.0
150.13614	2.0
153.09064	2.4
157.10139	2.6
159.11665	7.1
161.13246	86.5
162.13654	1.7
163.14809	25.9
171.11694	1.4
173.13272	3.5
175.14833	24.4
177.16388	7.7
185.13237	1.2
187.14813	3.5
189.16359	33.3
191.17921	1.3
201.16386	11.8
203.17946	22.5
215.17937	5.1
215.30780	1.2
227.17926	2.9
229.19537	1.3
235.16959	3.6
241.19559	3.5
243.21109	1.8
247.16875	3.1
249.18452	2.5
255.21083	1.7
273.18399	1.6
277.89844	1.4
281.22586	1.6
287.19952	1.8
327.23300	1.5
351.30423	19.4
379.30255	1.4
397.26172	1.6
397.30981	29.8
398.31485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.19211	0.8
55.05511	7.2
57.07075	0.9
65.03931	1.0
67.05172	1.1
67.05502	12.1
69.07058	11.9
71.04993	1.0
73.07830	0.7
79.05486	12.0
81.07049	32.5
83.08613	3.9
85.06519	1.0
86.06068	2.0
91.05471	15.0
93.07036	29.9
95.04939	1.9
95.08602	30.6
97.10178	1.4
105.07021	43.1
107.08584	34.4
109.10161	12.1
111.08053	1.1
117.07028	2.4
119.08574	40.2
121.09316	1.6
121.10142	21.0
123.11698	3.6
131.08540	5.6
133.10121	25.5
135.11681	6.9
137.13235	1.1
143.08487	1.8
145.10115	7.5
147.04395	1.5
147.11682	26.5
149.13248	94.0
150.13596	1.8
151.07451	0.8
151.11243	1.0
153.09102	2.6
157.10150	2.4
159.11674	9.4
161.13246	100.0
162.13628	1.8
163.13422	1.1
163.14821	23.0
167.10701	0.9
171.11693	2.1
173.13237	5.6
175.14818	29.1
177.16391	5.8
179.10690	1.0
185.13239	1.7
187.14828	3.1
189.16379	34.4
191.17949	1.2
193.12224	1.0
193.15764	1.3
199.14905	1.5
201.16364	10.4
203.17943	23.6
204.18173	1.1
205.19475	1.2
207.17474	1.6
213.16405	1.7
215.18030	4.4
219.64740	0.8
221.15378	1.4
227.17993	4.6
229.19461	1.4
235.16930	3.7
241.19597	3.2
243.21017	1.3
247.16982	3.1
249.18623	2.0
255.21048	1.9
261.18399	1.3
273.18414	1.8
281.22620	1.6
287.20242	0.9
301.21786	1.4
327.23480	1.2
351.30347	17.6
397.20184	0.9
397.26413	1.8
397.31006	32.3
398.31241	1.0
411.48557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56443	1.3
53.03941	1.6
55.01872	2.1
55.05503	8.6
55.35555	1.1
57.03413	1.7
57.07059	1.5
58.88416	1.1
65.03928	1.3
66.65365	1.1
67.05510	15.4
69.03415	1.9
69.07070	11.9
69.12656	1.1
70.06557	1.2
71.01334	2.1
71.04984	1.2
71.08631	1.4
73.02908	2.3
76.46835	1.1
78.51424	1.2
79.05493	14.0
80.74256	1.2
81.06590	2.0
81.07055	36.6
83.04978	2.4
83.08595	2.9
85.02887	4.2
86.09665	2.2
89.42057	1.2
91.05472	13.9
93.06484	1.8
93.07044	32.3
95.04946	5.5
95.08607	30.6
97.02888	2.1
97.06516	1.5
97.10138	2.9
99.04456	1.3
103.05460	2.0
105.01871	1.2
105.07028	39.7
106.07370	1.2
106.56509	1.3
107.08591	38.5
109.06490	1.4
109.10152	11.9
110.69377	1.2
111.08076	1.9
115.05441	1.7
117.06994	4.6
119.04916	3.3
119.08581	33.0
120.08138	1.8
120.08900	1.8
121.10129	20.5
122.80824	1.2
123.08092	2.1
123.11675	3.3
131.08566	4.3
133.06480	1.4
133.10127	26.1
135.08034	1.9
135.11685	6.9
137.05908	2.6
137.13200	1.7
143.08545	2.4
145.10080	7.6
147.04399	16.3
147.11691	23.6
149.13252	100.0
150.13557	2.7
153.09053	2.0
157.10072	2.6
158.10634	1.4
159.11668	8.6
161.13248	94.2
162.13602	2.3
163.11177	1.6
163.14806	19.4
165.12636	1.4
167.10677	1.6
171.11641	2.3
173.13231	3.9
175.14822	23.1
177.12752	1.2
177.16388	6.9
179.10635	1.6
183.11676	1.7
185.13309	2.5
187.14778	4.6
189.16364	33.8
191.17955	1.4
199.14780	1.5
201.16388	9.2
203.17931	26.7
205.19356	1.3
207.17435	2.2
213.16518	1.6
215.17937	3.3
221.15431	1.3
221.18723	1.4
227.17955	3.0
229.19487	2.1
235.16995	3.1
241.19382	2.6
247.16919	4.6
249.18423	2.8
255.21031	2.0
273.18417	2.2
327.23105	1.7
351.30402	15.7
379.29962	1.7
397.10925	1.8
397.31046	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	397.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17664	0.9
55.05508	5.0
57.07063	1.4
65.03940	1.5
67.05501	10.4
69.07068	8.0
79.05490	8.9
81.07053	30.5
83.08611	3.5
85.10143	1.0
91.05466	10.0
93.07037	31.4
95.04955	1.9
95.08606	26.3
105.07025	35.4
107.08592	32.9
107.09669	1.1
109.10146	10.8
117.07008	2.2
119.08573	41.1
121.10130	18.1
121.11018	0.9
123.11698	2.9
128.50584	0.9
131.08559	4.0
133.10127	22.0
134.10556	1.3
135.11684	7.1
143.08563	1.6
145.10101	7.5
147.11679	22.1
149.13252	99.5
150.13615	3.6
153.09097	3.9
157.10069	1.9
159.11658	7.3
161.13245	100.0
162.13629	2.2
163.14818	24.3
167.03456	2.1
167.10625	1.8
171.11676	2.7
173.13239	4.5
175.14812	26.5
177.16360	7.2
185.13312	1.4
187.14781	2.7
189.16376	32.4
190.16821	1.7
191.17886	2.0
201.16402	9.0
203.17946	27.9
205.19452	1.2
207.17525	0.9
213.16266	1.1
215.17931	4.3
221.15332	1.2
227.17911	4.8
229.19514	1.6
235.16972	3.6
241.19539	2.4
243.21219	1.6
247.16925	3.3
249.18500	1.5
255.21083	1.8
261.18558	1.1
273.18439	2.1
281.22641	1.6
287.20139	2.1
327.23096	1.4
351.30414	15.6
352.30627	1.2
379.29892	1.7
397.26266	1.5
397.30948	29.7
398.31317	1.7
415.96176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.05508	1.8
56.96569	20.8
67.05501	7.6
69.03433	8.9
69.07056	3.6
70.06580	1.9
70.14530	2.5
70.14928	2.2
71.01340	1.0
71.04967	1.4
71.95248	3.8
73.02917	1.3
79.05485	4.2
81.07062	11.9
82.07385	1.1
85.06557	1.6
86.06067	54.3
87.04453	1.3
87.06390	4.6
91.05475	4.2
93.07041	5.0
95.04942	2.1
95.08598	4.7
98.97578	30.6
104.07095	3.4
105.07029	3.8
107.08582	4.3
109.06494	1.9
109.10145	4.4
116.98615	48.8
119.04912	1.9
119.08573	4.2
121.10174	2.0
125.09622	1.2
129.07004	1.3
131.08524	2.9
133.10150	3.2
134.99661	60.8
137.13335	1.0
139.28725	1.1
140.00224	4.1
145.10188	1.5
147.04387	3.1
147.11705	2.8
149.13242	3.0
153.00706	17.9
157.10124	1.3
158.01213	5.5
158.15410	1.4
159.11671	1.3
161.13255	2.8
175.14740	1.3
176.02301	1.4
189.16365	1.5
225.97954	1.4
275.20062	1.9
276.20358	1.7
287.02234	1.2
292.21368	1.2
315.01694	1.9
322.01236	2.0
343.01187	1.2
355.04892	3.1
357.02835	3.8
358.03598	11.2
359.03967	1.5
373.06003	6.6
375.03632	2.7
376.04599	29.0
393.81729	1.4
396.27048	9.6
396.32031	1.9
397.05939	100.0
397.27148	8.2
397.32129	1.8
398.06073	2.9
399.06195	1.7
415.06973	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71113	1.2
55.01856	1.8
60.99291	1.2
65.03931	3.7
67.05492	2.7
68.47560	1.3
69.03423	1.9
70.10160	6.2
70.10444	1.7
79.05486	3.5
81.07043	2.3
85.02898	1.9
91.05477	15.0
93.13367	1.2
94.04178	3.2
95.04955	3.9
103.05453	3.1
105.07033	5.0
107.04951	2.9
109.06500	1.9
115.05447	3.6
117.07029	1.8
119.04928	6.9
121.06487	2.1
122.03664	8.0
125.09627	1.4
127.03916	1.6
128.06218	4.2
129.07024	6.7
131.04950	2.3
131.08542	6.7
133.02835	1.3
133.06425	1.5
133.10168	2.3
135.04413	1.5
136.05133	1.1
136.39337	1.2
137.05971	100.0
141.07007	7.2
142.07774	2.4
143.08560	3.2
144.05727	3.7
145.06471	3.6
145.10107	1.5
146.03528	1.6
147.04411	4.1
147.08006	1.5
147.50134	1.2
149.05942	3.9
151.03909	1.7
151.07530	13.1
152.06212	1.6
153.05701	2.0
153.07007	5.5
154.07794	2.0
155.08539	4.9
157.06477	5.0
157.98875	1.3
158.07281	4.7
159.08040	6.5
160.05078	1.4
161.05983	15.9
161.09631	5.3
163.07556	1.9
165.05789	1.4
165.06956	6.3
167.07196	1.3
167.08524	2.6
168.05734	1.8
169.06476	4.3
169.07722	1.5
170.07303	3.1
171.08084	7.2
172.05104	1.3
172.08865	5.0
173.06084	1.7
173.09663	3.4
175.07529	6.9
181.06511	2.1
182.07291	7.9
183.08052	5.1
184.05197	2.2
184.08777	3.5
185.06013	4.5
185.09630	11.7
186.06668	2.3
187.07570	8.0
187.11238	3.2
189.09105	3.4
189.12799	2.7
191.07010	8.6
193.06602	1.6
194.07294	2.3
195.07977	2.1
197.05972	2.9
197.09601	12.0
198.06776	16.9
199.07547	13.2
199.11168	2.3
200.08322	3.5
201.08990	6.6
202.07770	2.0
203.08591	2.3
210.06631	1.6
211.07567	6.4
212.08313	4.5
213.09100	27.0
214.09558	1.7
215.06990	1.8
215.08839	2.4
215.10651	9.4
217.08510	2.5
217.10367	1.8
217.12180	2.6
225.09071	16.9
227.10632	2.2
228.07738	1.7
229.08484	4.2
229.10396	2.0
231.08105	3.6
235.13234	1.4
242.09444	1.8
243.08032	2.4
243.10173	21.1
244.08856	1.8
245.09557	2.9
245.11739	3.6
247.07469	1.9
247.11160	2.0
248.08430	2.6
249.09158	2.3
255.10184	8.2
257.09555	4.1
258.06863	2.3
258.10144	1.4
259.07541	2.6
260.08136	2.1
261.09344	6.2
262.09683	3.2
264.07855	4.7
265.08463	3.8
271.07532	3.7
273.11255	77.5
274.09512	2.4
275.10620	5.1
276.07806	4.5
277.08627	6.0
277.12061	2.1
278.09488	2.5
285.09042	2.9
286.09970	1.8
287.07132	1.6
287.10593	1.6
288.07788	2.1
289.08624	5.4
289.12329	4.3
290.09396	4.0
291.06985	1.6
291.10184	7.4
292.07495	3.0
292.10825	3.6
293.08051	3.7
293.11737	3.9
301.08640	3.8
302.09323	3.3
303.10208	6.5
305.08044	2.6
305.11658	5.6
306.08984	2.5
307.09570	10.8
308.10345	7.4
309.11151	1.7
315.10150	2.1
317.11795	5.2
318.08868	1.8
319.09686	4.1
319.13281	3.1
320.10385	3.1
321.11252	7.6
321.14612	1.4
322.11859	3.7
323.12820	2.6
325.10764	4.1
329.11594	1.6
331.09473	1.7
333.11206	5.5
334.12106	2.2
335.12833	8.7
336.13449	3.5
339.12256	4.1
346.11710	1.7
347.12775	2.8
348.13403	1.4
349.14340	7.4
351.12268	16.4
353.13965	4.0
354.14603	26.0
361.14355	3.8
367.15384	4.8
379.15396	13.2
397.16461	91.6
398.16925	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	396.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
55.05511	2.0
56.96561	1.7
57.03429	0.6
58.06585	0.5
67.05501	5.6
68.05030	1.2
69.03427	18.3
69.07056	3.3
69.19479	0.5
69.40018	4.5
71.04990	0.6
79.05489	4.8
81.03374	0.5
81.07051	10.0
83.04980	0.7
83.08599	1.3
85.02917	0.5
86.06062	100.0
87.04468	3.0
90.81776	0.5
91.05469	3.2
92.27963	0.5
93.07047	3.9
95.04977	1.4
95.08587	3.7
97.06509	0.9
97.10156	0.5
98.97598	1.9
99.04459	0.8
102.52013	0.5
103.05459	0.6
104.07108	4.6
105.07030	4.1
107.04954	1.3
107.08577	3.0
109.06548	1.7
109.10136	1.8
116.98637	3.2
117.07013	0.8
119.08598	3.6
121.06464	0.8
121.10142	2.1
123.08085	0.8
123.11710	0.9
129.06888	0.7
131.08542	1.9
133.10115	2.5
134.99637	4.4
135.08047	0.6
135.11713	0.9
135.88087	0.5
145.10107	1.6
147.04445	1.1
147.11694	2.9
149.11937	0.5
149.13208	1.1
153.00694	1.1
158.01233	0.6
158.15448	1.3
159.11717	0.7
161.13275	1.7
163.11160	0.6
165.12735	0.5
175.14706	0.7
189.16412	0.5
217.19434	0.7
250.14500	1.2
257.18890	1.0
266.17596	1.0
275.20013	5.5
293.21017	1.8
350.26535	2.4
358.03757	0.8
364.24899	0.6
373.05563	0.6
376.04593	2.0
396.27295	27.5
397.05975	8.4
413.63693	0.5
415.06982	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	395.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01851	0.8
55.05515	6.4
55.31740	0.7
57.07067	1.9
65.03928	1.5
67.05170	1.2
67.05499	13.3
69.03450	1.0
69.07067	12.8
69.58758	5.1
69.59158	1.4
70.56789	0.9
72.33643	0.7
77.03912	0.9
79.05492	11.7
81.07051	26.5
83.08614	5.6
91.05476	10.0
92.06459	0.8
93.07038	27.1
94.07401	0.7
95.04971	1.7
95.08601	46.0
96.08911	1.5
97.06519	1.8
97.10140	3.2
105.07027	23.9
106.07376	0.9
107.04976	0.8
107.08590	32.9
108.08893	0.7
109.06500	1.5
109.10147	22.1
111.08067	2.7
111.11708	1.2
117.06979	2.9
119.08572	22.3
121.06494	25.8
121.10135	24.0
123.08043	2.1
123.11716	6.4
128.06157	1.1
129.07001	1.5
131.04861	0.9
131.08557	6.3
133.10126	19.5
135.08032	3.2
135.11684	10.7
137.09590	0.9
137.13263	2.3
143.08560	2.5
145.06320	1.0
145.10088	8.7
146.07243	4.1
147.08040	36.1
147.11679	13.2
149.09604	5.3
149.13255	23.5
150.13524	0.9
151.11182	0.8
157.10109	1.9
159.11719	4.3
160.08861	2.0
161.09612	100.0
161.13222	6.4
162.09966	2.1
163.11191	7.1
163.14813	17.3
165.16371	0.9
169.10172	0.8
171.08078	0.8
171.11673	1.2
173.09581	1.1
173.13251	7.5
175.09732	1.0
175.11192	8.6
175.14789	8.1
177.12720	1.0
177.16386	13.5
185.13303	1.3
187.11174	1.6
187.14807	9.0
189.12727	39.4
189.16331	9.2
191.14291	14.2
191.15915	1.3
191.17908	6.2
191.65633	0.8
199.14812	1.4
201.16426	3.1
203.14366	4.4
203.17953	26.5
204.18283	1.5
205.15865	3.2
205.19504	2.5
211.14879	0.9
213.16405	1.7
215.14313	2.1
215.17929	2.4
217.15871	3.0
217.19339	1.0
219.17407	1.3
227.18013	1.0
229.15887	5.1
229.19516	2.2
231.17435	2.2
231.20985	0.8
253.19501	1.3
255.21037	1.3
261.39987	0.8
325.25195	0.9
377.31958	3.9
395.33063	37.2
396.33301	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	395.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60101	0.5
53.03928	0.9
55.01852	0.6
55.05506	7.7
57.03430	0.8
57.07070	1.7
63.59027	0.6
67.05500	12.8
69.07062	16.1
69.47332	4.5
69.47740	1.3
71.04997	0.7
77.03854	0.7
79.05054	1.1
79.05485	12.1
81.07047	31.4
82.07327	0.6
83.04972	0.8
83.08611	5.3
91.05468	11.7
93.07037	31.7
94.07403	0.8
95.04941	2.4
95.08601	52.4
97.06520	1.3
97.10167	3.2
105.07021	27.8
107.04921	0.8
107.08586	38.9
109.06490	1.4
109.10149	22.1
111.08064	5.1
111.11689	2.1
115.05414	0.8
117.06989	1.6
119.08572	24.4
121.05659	1.3
121.06497	23.2
121.10133	28.3
122.10491	0.9
123.08040	3.0
123.11695	9.5
129.06967	1.4
131.04936	0.9
131.08539	7.2
133.06512	0.8
133.10118	20.3
135.08054	3.8
135.11681	12.8
137.09683	1.5
137.13242	2.8
143.08539	1.5
145.06488	1.0
145.10115	10.3
146.07236	3.4
147.08037	39.3
147.11678	14.2
149.09628	5.9
149.13245	33.9
150.13550	0.8
151.11165	1.1
151.14793	1.2
157.10132	3.1
159.07999	1.2
159.11703	5.7
160.08810	1.8
161.09605	100.0
161.13214	8.4
162.09961	1.6
163.11160	6.7
163.14801	25.3
165.16350	1.1
169.10092	0.9
171.11716	1.7
173.09688	1.3
173.13228	7.3
175.11195	8.2
175.14790	11.7
177.12776	1.5
177.16374	18.2
183.11636	0.9
185.13272	1.9
187.11180	1.4
187.14827	13.3
189.12727	41.2
189.16336	13.7
190.13188	1.0
191.14301	18.2
191.17915	7.9
193.15903	0.9
199.14839	1.4
201.16411	5.4
203.14345	4.9
203.17935	29.1
204.18228	1.2
205.15877	3.6
205.19569	1.1
213.16389	2.4
215.14363	1.6
215.17905	4.2
217.15858	3.4
217.19443	1.3
219.17462	2.0
227.17912	2.9
229.15883	4.4
229.19470	4.6
231.17416	2.3
231.21021	1.3
241.19395	1.6
243.17516	0.8
243.21086	1.5
253.19579	1.2
255.21080	3.0
267.21057	1.3
271.20587	1.2
278.98227	0.7
283.24158	1.0
325.25186	1.0
367.33694	0.7
377.32111	6.6
395.33072	47.4
396.33353	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	395.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.05505	8.3
57.07067	3.2
67.05166	1.9
67.05500	16.1
69.07066	15.8
70.01251	3.0
70.01668	3.7
79.05485	13.3
81.07052	34.7
83.08607	6.6
91.05469	13.4
92.32442	1.4
93.07040	35.0
95.04996	3.2
95.08601	54.6
97.06519	1.5
97.10153	3.9
103.05491	1.6
105.07026	29.9
107.08588	41.9
109.06520	2.3
109.10145	28.8
109.10843	2.4
109.21516	1.3
109.36860	1.3
111.08080	6.0
111.11688	1.7
117.07002	2.7
119.08570	27.8
121.06499	22.4
121.10143	34.0
123.08054	3.6
123.11691	7.9
126.21018	1.3
129.06972	2.3
131.08536	6.7
133.10127	18.9
135.08044	5.1
135.11668	13.8
137.09636	1.7
137.13248	3.6
143.08551	3.2
145.10141	11.3
146.07245	3.4
147.08037	38.9
147.09218	2.2
147.11664	16.8
149.09604	4.6
149.13260	31.5
149.14386	2.4
153.89925	1.3
157.10089	2.7
159.08090	1.5
159.11707	7.8
160.08818	1.6
161.09607	100.0
161.13246	8.7
162.09932	1.6
163.11147	8.4
163.14816	25.3
171.11731	1.4
173.09627	1.9
173.13237	8.4
175.11118	6.3
175.14804	12.9
177.12845	1.9
177.16386	19.9
187.11111	1.9
187.14824	14.1
189.12729	39.8
189.16333	17.8
191.14313	14.8
191.17969	9.2
201.16391	5.8
203.14389	3.5
203.17960	33.3
205.15843	3.8
213.16399	2.2
215.14325	1.9
215.17953	2.3
217.15933	3.3
217.19579	1.8
219.17458	2.5
227.17909	2.5
229.15791	2.9
229.19533	3.8
231.17422	4.1
240.40321	1.3
245.19005	1.8
255.21104	2.5
279.03848	1.3
299.23489	1.3
377.31824	7.7
395.33044	56.3
396.33490	3.4
401.23285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	71.4
59.58841	45.7
71.01154	100.0
71.01490	86.7
98.97569	54.7
105.92999	47.0
119.01978	46.2
131.52921	46.0
140.60477	41.9
231.03445	60.8
239.34810	55.1
308.66452	47.6
324.76251	49.1
395.09747	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01878	1.3
55.05514	9.9
57.03431	1.3
57.07073	3.7
59.95528	1.0
67.05498	15.6
69.03420	2.3
69.07060	17.5
70.06590	2.1
71.31300	1.6
71.31622	1.3
71.98125	1.1
75.92152	1.1
79.05494	13.8
81.03433	2.8
81.07051	29.8
83.08612	7.0
84.08149	2.2
85.02910	4.7
85.06541	1.2
86.09696	1.4
87.00849	1.9
87.33396	1.1
91.05466	12.3
93.07040	33.8
95.04955	2.9
95.08598	52.5
97.02916	2.3
97.06542	2.8
97.10168	1.7
100.07666	1.6
100.11247	1.9
101.41061	1.1
103.05470	2.7
105.01888	3.5
105.07032	25.7
107.04965	1.8
107.08587	37.2
107.09300	2.1
109.02831	1.7
109.06535	1.6
109.10149	24.5
109.10823	1.7
109.48462	1.0
111.08086	4.6
111.11747	1.9
117.07027	3.8
119.08572	25.7
119.09359	1.9
121.06507	23.6
121.10139	29.0
123.08074	2.4
123.11726	8.8
127.03914	3.0
128.04230	1.3
129.06993	1.4
131.08574	10.5
133.10117	21.9
135.08054	3.7
135.11696	12.6
137.09589	1.5
137.13232	2.5
138.09250	1.3
143.08563	1.8
145.05002	1.5
145.10104	10.2
146.07297	3.7
147.04390	1.4
147.08037	34.7
147.11659	13.4
149.09639	3.5
149.12047	1.8
149.13249	30.3
149.14369	2.2
151.14813	2.2
157.10170	3.6
159.08047	1.4
159.11673	8.7
160.08794	1.9
161.09610	100.0
161.13234	5.9
162.09996	1.7
163.11154	9.6
163.14813	20.4
165.16344	1.4
168.13875	1.2
169.14288	1.8
171.11670	2.4
173.13235	8.9
174.10406	1.3
175.11186	8.8
175.14830	11.2
177.12685	1.3
177.16374	16.1
182.15474	1.6
185.13332	1.7
187.11208	2.0
187.14789	11.4
189.12740	39.0
189.16376	14.3
191.14287	19.2
191.17914	7.4
196.13309	2.9
197.13477	1.2
199.14842	2.4
201.16402	5.5
203.14377	4.4
203.17932	29.9
203.19737	1.8
205.15901	3.3
213.16418	2.3
215.14217	1.6
215.18001	3.4
217.15869	4.0
219.17355	2.3
227.17967	1.7
229.15964	4.5
229.19373	2.2
231.17493	3.5
231.20978	1.6
245.18970	1.3
255.21094	2.9
271.20602	2.1
283.24417	1.7
310.21906	1.3
377.32077	5.0
395.33142	45.1
396.21616	3.5
396.26965	2.6
396.33173	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	394.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64951	0.3
53.03946	0.3
55.05516	2.1
56.05032	0.4
57.03429	0.3
57.07072	0.5
65.03938	0.4
67.05502	2.3
68.05016	0.7
69.03443	0.8
69.07065	3.7
69.32526	3.1
70.06588	4.8
71.04999	0.4
79.05480	4.2
81.07052	4.7
83.08622	0.8
84.08117	0.5
85.06534	0.4
86.06071	1.4
87.04464	7.0
88.07613	0.5
91.05465	1.6
93.07042	3.9
95.04955	0.8
95.08586	3.5
96.08173	0.4
98.05425	0.7
98.06050	9.3
98.06672	0.6
99.08096	0.5
102.44533	0.4
103.05469	1.1
104.19487	0.4
105.07022	15.7
106.07384	0.3
107.08597	4.5
108.08157	0.7
109.06520	0.6
109.10168	1.2
116.07114	1.4
117.07008	0.4
119.08572	4.1
120.09009	0.4
121.10149	1.8
123.11679	0.3
124.07606	0.9
129.07027	0.5
131.08591	0.5
133.10136	3.2
134.09639	0.7
135.11685	1.8
136.11244	0.5
137.13190	0.3
145.10117	0.5
147.11682	1.9
149.02362	2.4
149.03438	0.5
149.09584	0.3
149.13260	1.3
157.10101	0.5
159.11714	0.3
161.13242	3.0
162.12784	3.6
163.14880	0.9
164.10750	0.4
164.14349	1.6
170.11826	0.4
175.14905	1.3
175.28188	0.4
177.16478	0.5
178.15965	0.8
184.13368	0.5
189.16379	0.5
193.04927	2.3
205.19519	0.9
217.19615	1.5
222.14960	0.3
228.23360	1.3
231.21121	0.4
248.16411	5.5
250.18024	3.0
264.19550	4.3
266.21368	1.0
272.20258	0.8
308.25943	1.3
315.80035	0.3
324.21701	0.9
362.26883	0.8
394.29614	100.0
395.29971	2.8
404.32938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01864	5.7
55.05500	10.7
57.03426	5.9
57.07073	3.8
61.02914	8.9
66.31972	3.2
67.05495	7.1
69.03425	46.4
69.06727	5.0
69.07072	71.2
69.97421	10.6
70.06568	7.1
71.04975	9.6
72.08122	3.0
73.02918	8.7
76.52429	2.8
77.40884	3.4
79.05486	8.0
81.03425	28.5
81.07049	10.7
85.02903	100.0
85.06527	6.2
87.00819	37.8
88.62088	3.3
91.05467	11.0
93.07040	12.5
95.04969	5.7
95.08604	9.5
96.03439	2.7
97.02905	32.1
97.06544	3.4
98.97611	3.8
99.04440	13.0
105.01860	41.9
105.07014	10.1
107.04939	3.2
107.08574	9.0
108.04451	3.4
109.02872	24.0
109.06483	4.4
109.10141	10.2
110.79220	2.8
111.04465	4.3
111.08084	13.7
111.11681	15.5
115.03874	5.1
117.07039	3.3
119.08576	10.1
121.06462	5.1
121.10144	5.1
123.04451	3.1
123.08064	3.1
123.11718	4.1
127.03921	46.4
127.11160	4.0
129.01866	5.5
129.12761	8.4
131.08617	5.2
133.10112	7.0
135.11705	4.9
136.06190	9.5
137.05940	4.7
137.09612	5.6
141.12755	5.2
143.08612	3.9
145.04994	22.7
145.10155	4.9
147.04352	5.1
151.11177	3.5
159.02911	10.7
159.11693	4.6
162.07745	16.5
175.11241	3.2
179.10681	6.1
199.87450	3.2
201.12671	4.3
219.13809	5.3
231.05014	10.1
237.14932	7.1
249.06062	3.6
279.03784	4.5
323.14868	14.9
341.15594	5.8
376.24927	4.0
394.25916	7.9
394.30725	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01868	7.7
55.05508	5.1
56.05022	1.0
57.03436	6.3
58.35149	1.1
61.02930	6.3
62.60379	0.9
67.05506	1.8
68.99782	1.8
69.03429	34.0
69.07067	29.4
69.53923	4.3
69.54348	4.5
71.04992	3.7
73.02912	6.5
74.57437	1.1
79.05505	1.1
81.03415	18.8
81.07072	1.1
83.01376	1.0
85.02902	100.0
87.00827	44.1
87.04486	1.2
93.07060	1.7
95.04970	1.1
97.02884	30.2
99.04443	13.3
103.03916	1.3
105.01862	64.7
106.07349	1.1
107.08607	1.5
108.04465	3.0
109.02134	1.3
109.02877	23.5
109.10139	1.3
111.11729	4.1
115.03979	1.2
117.01865	3.8
119.08587	1.8
127.03908	66.7
129.01842	3.3
145.04956	34.8
147.02895	1.9
159.02899	16.1
189.03955	4.0
191.14331	1.2
213.03999	2.0
219.13838	1.7
231.04988	16.0
249.06061	3.8
417.11505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
53.93382	0.5
55.01863	6.0
55.05508	7.8
57.03438	6.2
57.07081	0.9
60.04526	0.6
61.02924	6.7
67.05490	2.5
68.99791	3.0
69.03426	38.0
69.07064	44.7
69.36123	4.1
69.36529	1.4
70.07411	0.6
71.01354	0.9
71.04988	4.8
73.02924	6.2
74.81011	0.6
79.05502	1.0
81.03416	24.0
81.07050	2.5
81.14664	0.6
83.01315	1.1
83.04980	1.1
84.04478	0.6
85.02900	100.0
87.00825	45.9
87.04497	1.3
90.32859	0.6
90.83077	0.6
91.03936	1.3
93.07072	1.4
95.04954	1.1
95.08604	1.1
97.02887	40.3
97.10146	0.8
99.04449	13.7
101.02393	1.1
103.03939	0.9
105.01860	79.4
105.07022	1.4
107.08607	0.7
108.04497	3.2
109.02874	24.7
109.10189	1.4
111.11716	5.7
115.03917	1.6
117.01829	1.6
123.02888	0.6
123.11742	0.8
126.05518	1.6
127.03909	71.2
128.04253	1.0
128.14384	0.7
129.01813	3.0
135.11662	0.8
145.04953	37.3
147.02882	2.3
147.11728	0.8
151.11172	1.0
159.02876	12.6
159.09183	1.7
159.11617	0.6
171.02846	0.9
177.03922	0.9
189.02452	0.6
189.03905	3.9
213.03922	2.5
219.13855	1.2
229.09657	0.7
230.06621	0.9
231.04991	20.3
237.14746	0.8
248.07681	1.6
249.05998	7.5
252.12633	0.6
263.12024	0.8
394.25598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10760	0.9
53.03944	1.5
55.05511	11.9
57.07070	6.0
59.43095	1.0
62.43915	1.0
67.05501	19.4
69.06721	1.7
69.07068	24.8
69.92879	3.1
69.93292	3.0
71.08615	1.8
72.08123	1.2
79.05492	11.3
81.07053	48.6
83.08604	7.5
84.15603	1.0
91.05486	10.2
93.07043	27.4
95.04951	1.8
95.08602	70.7
97.10168	6.1
105.07028	27.5
107.08588	34.1
109.10152	30.8
109.10907	1.1
111.11702	2.7
117.07004	4.0
119.08578	34.2
121.10137	27.6
123.11703	20.1
125.13293	1.5
128.06223	1.5
129.06989	3.6
131.08560	14.0
133.10120	24.2
135.11665	13.1
137.13255	16.3
143.08542	9.8
145.10115	23.2
147.11696	18.0
149.13246	34.0
150.13655	1.2
151.14816	2.0
156.09357	1.4
157.10104	7.8
159.11682	28.4
160.12259	1.3
161.13228	11.2
163.14812	20.6
165.16301	1.9
169.10132	1.9
171.11668	7.9
173.13264	14.4
175.14822	21.2
177.16377	16.6
183.11688	1.6
185.13271	5.3
186.13936	1.4
187.14813	24.1
189.16396	15.7
191.17986	6.2
197.13350	1.7
199.14806	9.3
201.16385	17.4
203.17972	21.2
205.19582	1.5
211.14873	1.5
212.15527	1.3
213.16373	19.5
214.17072	1.1
215.17967	17.9
217.19588	6.7
219.21007	1.2
226.17215	1.1
227.17896	8.8
229.19507	9.6
231.21086	5.7
239.17906	1.3
241.19501	17.9
243.21118	13.4
255.21056	18.7
255.64680	1.0
256.21552	1.7
257.22681	3.3
267.21063	1.2
269.22586	9.4
271.24359	1.7
281.22620	1.4
283.24216	3.1
297.25772	4.7
309.25757	2.9
323.27243	2.9
337.28766	1.5
351.30325	2.5
381.40854	1.2
393.35132	100.0
394.35385	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	393.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05312	1.1
55.05511	12.0
56.39880	1.0
57.07078	5.7
65.03931	1.7
67.05173	1.9
67.05505	20.2
69.06720	1.9
69.07062	22.1
70.60402	4.0
71.08627	2.2
79.05492	13.1
79.38725	1.2
81.03394	1.2
81.07051	52.1
83.04955	2.0
83.08620	10.0
91.05466	14.0
93.07040	29.5
95.04982	3.4
95.08604	72.6
97.10161	6.1
105.07027	32.6
107.08590	37.2
109.06512	1.2
109.10144	31.8
111.11686	2.1
117.07023	8.2
119.07695	1.7
119.08571	35.6
120.08886	1.6
121.06508	1.3
121.10134	30.0
123.11713	18.1
125.13228	1.6
128.06175	2.0
129.06981	7.3
130.07704	1.2
131.08565	17.7
133.06424	1.4
133.10136	23.8
135.11693	18.1
137.13243	14.8
141.06952	1.4
143.08549	13.4
144.09355	2.4
145.10118	22.6
147.11699	16.9
149.13257	30.4
151.14810	3.1
155.08577	1.4
156.09322	1.4
157.10124	11.4
159.11673	32.4
161.13225	11.1
163.14824	23.5
171.11694	8.9
173.13252	18.6
175.14810	21.8
177.16388	16.2
183.11673	2.5
185.13252	7.4
187.14804	25.8
189.16342	15.0
191.17986	6.6
197.13251	1.8
199.14766	10.0
201.16347	17.1
203.17937	21.0
205.19667	1.9
213.16328	15.2
215.17947	17.2
217.19589	6.9
219.21159	1.9
225.16371	2.3
227.17989	8.8
228.18584	1.2
229.19527	9.1
231.21074	4.3
239.18015	2.9
241.19476	13.7
243.21060	14.7
245.22736	2.1
247.81514	1.4
255.21057	18.6
257.22733	3.6
269.22629	9.4
273.21909	1.9
273.47131	1.4
275.77512	1.2
283.20767	2.0
283.24261	3.2
285.25549	1.6
295.24255	1.9
297.25827	4.5
301.21619	11.2
309.25735	1.7
323.27286	2.6
349.23801	1.6
351.30466	1.3
375.25345	4.4
393.26822	2.9
393.35141	100.0
394.35474	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.05514	9.3
57.07058	5.3
64.69064	1.1
67.05170	2.1
67.05500	22.6
69.07062	26.1
69.23794	5.7
69.24224	7.9
71.08601	1.2
79.05483	12.0
80.34985	1.1
80.94338	1.0
81.07050	44.5
83.08622	8.0
85.02874	1.5
88.78678	1.1
91.05474	11.2
93.07041	25.6
95.01299	1.6
95.04973	2.1
95.08601	61.9
96.08981	1.3
96.82824	1.1
97.02863	2.3
97.10184	7.1
98.20807	3.0
105.07020	28.3
107.08583	31.7
109.09562	1.1
109.10147	30.1
111.11717	1.9
117.07006	4.1
119.08578	31.3
121.10131	30.0
123.11698	16.1
128.06180	1.4
129.06950	3.6
131.08542	7.6
133.10114	23.7
135.11690	15.4
137.13226	11.2
141.01797	4.0
143.08519	9.2
144.09300	1.2
145.10124	17.2
147.11679	19.5
149.13248	19.1
151.14848	1.4
156.09348	3.1
157.10089	7.3
158.04460	3.7
158.10873	1.6
159.11693	18.6
161.13228	13.5
163.14832	14.1
169.10115	1.3
171.11671	11.2
173.13249	11.7
173.92030	1.0
175.14815	21.5
177.16370	11.9
183.11737	3.9
185.13271	7.2
187.14792	22.6
189.16371	17.4
191.17987	7.3
197.13245	4.4
199.14804	8.3
201.16347	14.8
203.17947	25.3
205.19562	2.1
211.14833	2.5
212.15607	3.0
213.16354	16.6
214.13173	1.1
215.17952	13.5
217.19496	5.2
218.06639	2.2
219.21126	1.9
226.17023	1.6
227.17891	7.0
229.19489	6.2
231.21097	3.9
241.19467	10.4
243.21054	9.8
253.19341	1.4
255.21118	12.0
257.22580	3.7
267.21207	1.6
269.22583	7.2
281.22604	1.6
283.24121	1.4
295.24292	1.5
297.25739	2.7
323.27335	3.0
368.53439	1.2
393.26767	2.8
393.35117	100.0
394.35361	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.35971	1.4
55.05506	12.7
57.07077	7.0
59.39446	1.3
67.05173	2.0
67.05501	21.4
69.07066	24.8
69.93198	3.3
69.93614	5.2
71.36151	1.3
79.05499	9.8
81.07056	53.9
83.08620	8.6
91.05469	13.8
92.49427	1.4
93.07048	24.9
95.04961	2.8
95.08603	75.6
97.10177	4.7
105.07020	29.9
107.08588	37.4
108.09117	1.3
109.09458	1.1
109.10147	34.1
111.11708	2.0
114.74541	1.4
115.03861	1.5
117.07010	3.1
119.07802	2.3
119.08574	29.5
121.06479	1.7
121.10141	25.6
123.11694	18.4
129.06995	5.3
131.08566	14.9
133.10130	20.8
134.99599	1.8
135.11682	14.9
137.13246	14.8
142.07771	2.0
143.08566	9.5
144.09363	2.7
145.10121	24.1
147.11697	20.3
149.05975	2.1
149.09700	1.7
149.13261	26.8
151.14793	2.6
157.10155	7.0
159.11679	21.9
161.13246	13.1
163.14796	20.2
169.10043	1.6
171.11639	7.9
173.13251	14.1
175.14822	20.5
177.16348	16.1
185.13293	6.3
187.14824	26.3
189.16371	13.2
191.17964	6.2
197.13301	2.0
199.14804	8.0
201.16406	13.6
203.17912	20.4
205.19653	2.2
213.16403	19.0
215.17912	15.5
217.19528	10.6
227.17932	7.6
228.58501	1.4
229.19516	6.0
231.21077	5.3
241.19568	15.4
243.21048	11.7
255.21068	17.0
257.22607	4.0
261.71951	1.7
269.20062	1.9
269.22565	12.1
270.23325	1.6
281.22717	2.6
283.24222	3.3
297.25903	4.5
309.25848	2.1
323.27237	2.6
337.28812	2.2
351.30457	2.1
393.26263	7.2
393.35141	100.0
394.26605	1.9
394.35480	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
55.05496	17.2
55.73921	5.4
56.10553	5.4
57.07072	9.8
65.03923	7.2
67.05499	40.3
69.07054	25.2
69.44963	28.5
69.45391	24.2
77.22990	6.1
79.05505	40.1
80.75511	5.0
81.07055	63.3
83.04962	5.7
83.08611	10.5
85.06533	6.5
91.05468	57.2
93.07040	84.2
95.04964	76.1
95.08603	56.2
97.06546	8.6
98.20727	10.1
98.98456	8.6
100.84849	5.8
105.07019	100.0
107.08595	61.0
109.06490	21.2
109.10140	23.8
113.28040	5.8
117.06990	24.8
119.08569	94.1
121.06485	20.5
121.10120	32.0
123.08057	7.4
123.11712	11.7
128.06215	12.4
129.06979	17.4
131.08574	50.8
133.10117	55.3
134.93248	6.1
135.08051	11.6
135.11687	25.2
141.07053	9.0
142.07770	29.1
143.08563	29.6
144.09328	15.7
145.10120	84.1
147.11679	22.3
155.01042	11.9
155.08521	19.7
156.09341	15.7
157.10126	51.0
159.07935	7.1
159.11678	50.0
161.09616	13.9
167.08566	8.2
168.09251	6.5
169.10060	26.6
170.10953	10.0
171.11584	29.1
173.13239	24.1
175.11188	15.2
175.14804	19.4
179.08617	8.1
181.10194	9.4
183.11684	26.2
184.12517	7.8
185.13246	14.9
187.03542	6.9
187.11288	7.4
187.14755	15.6
195.11708	11.1
196.12444	9.5
197.13235	14.9
199.14772	7.9
201.16383	11.3
209.13258	13.2
211.14836	13.3
221.13237	9.5
251.17740	6.6
253.15860	6.9
315.24615	6.9
337.20615	7.6
359.02557	7.2
393.27570	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
54.07539	2.5
55.05508	19.0
57.07066	10.5
65.03931	3.5
67.05504	34.4
69.03404	2.6
69.07060	25.9
71.05001	4.3
71.08619	3.5
74.11445	2.6
79.05495	37.6
81.07051	56.8
83.04990	3.2
83.08604	9.4
85.06564	4.5
86.84911	2.7
91.05478	63.1
93.07040	76.9
95.04961	67.9
95.08597	57.5
97.06525	7.0
97.10175	3.6
98.21654	5.6
103.05459	5.9
105.07030	100.0
107.08586	50.4
109.06522	16.6
109.10149	30.2
111.08067	4.7
115.05476	6.2
117.07021	22.3
119.08577	89.5
120.08853	2.5
121.06484	27.0
121.10155	37.4
123.08057	7.9
123.11686	6.7
128.06230	13.5
129.06995	19.6
130.07780	10.3
131.08562	46.5
133.06447	2.9
133.10126	50.6
135.08040	6.7
135.11702	23.2
137.09589	4.8
141.07002	9.6
142.07780	25.0
143.08559	44.4
144.09351	13.8
145.10114	73.0
147.08066	5.5
147.11696	26.6
149.09627	3.4
149.13208	4.3
153.06996	2.9
154.07819	3.9
155.01086	5.7
155.08577	10.1
156.09329	11.6
157.10120	56.2
158.10904	10.0
159.08170	4.4
159.11705	49.4
161.09605	15.8
161.13268	5.8
163.11156	6.3
165.06998	3.2
166.07791	3.0
167.08591	8.2
168.09435	4.8
169.10127	23.0
170.10930	5.2
171.11693	25.4
173.09671	3.8
173.13257	25.1
175.11194	10.4
175.14780	17.3
179.08548	4.1
181.10130	11.6
182.10925	4.7
183.11713	18.4
184.12422	5.2
185.13246	14.3
187.11145	6.7
187.14819	10.4
193.10133	6.7
194.10878	5.2
195.11716	14.1
196.12425	4.9
197.13251	15.7
199.14825	11.3
201.16405	7.8
206.10909	3.8
207.11612	6.1
209.13278	10.9
210.14207	4.0
211.14798	8.1
213.16327	5.4
221.13223	5.2
223.14790	8.1
225.16423	5.5
235.14769	5.9
237.16367	4.0
251.17885	3.1
253.15926	4.9
253.19525	4.9
265.19513	5.5
320.41092	2.8
357.91360	2.8
375.26892	6.1
393.27701	16.3
394.73810	3.2
407.30780	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96801	0.7
55.05499	1.7
57.07068	2.2
67.05497	2.6
69.07055	2.1
69.93331	1.6
69.93741	1.8
75.86699	0.6
79.05511	1.5
81.07040	6.0
91.05475	2.1
93.07037	2.6
95.08601	7.1
98.21393	1.1
100.23969	0.5
105.07030	2.6
107.08598	3.8
109.10155	2.9
119.08598	3.3
121.10149	2.5
121.94004	0.6
123.11723	2.1
131.08572	2.8
133.10155	2.2
135.11653	1.5
137.13261	1.8
143.08580	1.0
145.10129	2.4
147.11687	1.9
149.13278	2.9
157.10184	1.0
159.11656	3.3
163.14867	1.6
171.11682	1.3
173.13316	1.7
175.14774	1.6
177.16333	1.3
185.13184	0.9
187.14870	2.3
189.16388	1.5
191.17871	1.0
201.16351	1.7
203.17958	1.6
213.16351	2.1
215.17932	1.4
229.19475	1.1
241.19592	1.9
243.21150	0.9
255.21094	1.9
256.69321	0.6
269.22675	1.4
309.20395	0.6
373.38574	0.6
375.24710	1.2
375.79883	0.6
393.26117	100.0
393.35104	9.0
394.26520	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.3
57.07072	2.8
65.03945	2.1
67.05510	27.6
68.43630	2.3
69.07070	11.2
70.02944	14.3
74.02438	23.1
79.05487	17.0
81.07056	39.5
83.08597	4.7
87.05077	4.0
87.05589	66.1
88.03991	70.7
91.05475	12.9
93.07049	23.7
95.04984	2.4
95.08605	37.0
98.21547	4.7
105.07023	11.0
107.08590	14.3
109.10151	19.5
116.03448	11.5
117.06966	3.5
119.08592	14.7
121.10123	14.5
123.11711	10.6
131.08575	7.9
133.06081	100.0
133.10118	7.4
135.11682	8.5
137.13235	3.8
143.08575	4.4
145.10086	10.5
147.11679	4.2
149.13260	11.0
157.10117	4.0
159.11713	8.9
161.13193	5.2
163.14832	4.9
171.11630	3.0
173.13277	6.0
175.14735	4.1
177.16273	3.0
187.14764	5.2
189.16341	4.4
201.16394	2.8
213.16469	3.8
215.17915	3.3
227.17972	2.4
241.19456	5.0
243.21127	5.7
255.21162	4.2
261.22086	9.9
313.21542	3.8
324.31204	2.4
330.24155	3.8
341.21005	2.6
376.24686	9.2
393.35214	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
56.57878	0.8
57.03428	1.0
67.05505	4.3
69.07052	3.4
71.08661	0.9
71.57214	1.2
79.05476	3.7
81.07056	8.8
83.08630	1.6
91.05470	3.9
93.07028	5.0
95.04958	1.9
95.08604	11.8
105.07016	7.6
107.08590	6.5
109.10153	5.2
117.07011	2.0
119.08575	6.3
121.10131	4.1
123.11678	2.7
129.07033	1.4
131.08554	3.6
133.10124	3.7
133.73265	1.1
135.11690	1.8
137.13243	2.3
141.06969	1.0
142.07741	1.2
143.08568	1.8
145.10117	4.5
147.11667	3.4
149.12228	1.0
149.13208	5.0
157.10103	2.5
159.11642	6.3
161.13225	2.1
163.14809	3.9
173.13234	1.8
175.14825	3.4
177.16393	1.9
187.14815	3.7
189.16374	1.1
191.17995	0.9
199.11098	0.9
201.16466	2.7
202.66721	0.9
203.17952	2.0
213.16362	2.9
215.17992	2.4
217.19588	1.3
229.19377	1.5
231.79100	0.8
241.19522	2.2
243.21043	1.9
255.21104	1.9
265.09497	0.9
269.22470	1.0
272.64374	0.9
393.26096	100.0
393.35107	12.6
394.26343	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	393.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01864	3.5
55.05506	6.8
57.03430	12.1
62.02439	7.5
67.05497	5.9
69.03415	23.2
69.07061	4.2
70.06583	11.8
70.70269	10.5
71.01346	6.1
71.04968	5.6
72.08138	13.9
75.42446	3.3
79.05489	7.6
79.34952	3.6
81.03400	16.7
81.07065	8.0
83.04964	3.4
84.08158	4.0
85.02913	9.5
86.09704	15.3
91.05476	13.9
93.07043	7.7
95.04978	10.3
95.08598	3.8
97.02849	5.3
98.97588	3.7
99.04436	20.5
102.05540	5.5
103.03937	12.9
103.05447	7.0
105.07041	10.5
107.08572	3.6
109.02885	7.0
115.05472	6.1
117.05495	8.7
117.06996	6.7
118.06548	5.2
119.08537	4.1
120.08115	26.6
121.10136	3.8
127.03906	13.5
128.06181	17.0
129.06985	9.8
131.04906	7.0
131.08595	4.8
133.10133	6.4
135.06531	13.4
137.05963	3.8
141.06985	12.3
143.08563	5.9
145.06487	11.7
145.07622	14.7
145.10127	6.2
146.03754	3.6
147.08073	5.8
147.09134	32.4
156.05702	7.9
157.06516	16.5
158.07295	6.3
159.08069	5.2
159.09178	18.7
160.05197	12.0
160.09984	4.5
161.05960	9.0
161.09599	4.2
163.07564	6.3
163.11235	4.2
169.06491	12.8
170.07179	3.7
171.08029	17.8
171.11699	3.1
172.08693	5.6
173.06000	22.3
175.07520	12.0
184.05125	6.1
184.09975	6.9
185.05991	25.8
185.10753	27.5
185.16536	4.4
187.07487	6.5
188.08333	8.3
189.09010	4.9
191.08182	100.0
192.08498	3.6
193.08626	3.7
199.07501	83.0
199.12297	4.7
200.08316	55.4
201.05424	7.0
201.07436	4.1
201.09070	8.2
201.12468	5.3
203.10701	10.4
205.08559	28.5
213.10170	3.8
215.11874	8.1
216.07684	18.8
231.10136	71.8
231.12242	5.6
234.13426	7.3
245.12871	10.7
249.11208	6.1
260.10416	8.1
261.36993	3.4
263.14041	5.1
271.10861	4.3
273.14835	4.3
289.04486	3.5
289.11691	4.2
291.12161	3.6
301.14322	5.4
302.17447	7.1
306.14471	11.5
307.12823	30.4
350.13409	9.5
362.13727	5.1
367.19717	3.3
375.18314	3.8
393.14063	80.4
393.19080	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	393.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61897	0.7
56.67123	0.7
57.03405	0.9
57.77998	0.7
69.03411	1.8
69.07053	2.7
69.65810	5.7
69.67128	0.8
70.06570	1.5
71.04985	0.8
72.99440	1.0
73.02886	1.0
81.03387	1.1
81.07047	1.0
85.02888	2.2
86.09699	2.1
90.36145	0.8
91.05449	1.6
97.02869	1.0
97.06525	2.0
98.20835	1.0
102.29683	0.8
105.07012	4.0
107.04933	1.2
115.07528	2.4
119.01936	1.1
143.07001	1.2
145.06221	0.9
145.12166	1.2
161.02997	1.1
217.10719	2.1
219.69418	1.0
243.08755	5.4
271.04260	2.5
307.11600	5.1
322.63483	0.8
331.11487	1.6
349.12540	38.5
350.12747	1.6
378.15579	1.1
393.11511	100.0
394.11823	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	393.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56873	0.5
59.14606	0.5
68.05000	1.9
70.06572	1.2
72.08119	0.8
78.34329	0.6
78.45215	0.5
85.02900	0.7
96.06902	0.5
109.10169	0.6
111.96278	0.6
120.08072	1.5
130.05022	0.7
133.06422	0.6
149.04576	1.2
166.07213	0.9
172.05986	1.0
189.06308	0.8
201.06465	1.4
202.07211	2.0
203.07997	2.2
204.08788	6.8
215.07985	2.2
216.08791	100.0
217.09441	4.1
218.10342	5.3
225.06447	10.6
226.07195	3.5
227.07809	0.8
229.09502	1.3
230.10367	9.0
240.08780	51.8
241.09351	1.9
242.10463	1.0
246.09871	7.1
258.09912	2.4
259.10779	0.5
268.08337	4.1
272.11349	3.9
282.68106	0.5
283.09253	1.5
300.10883	54.5
301.11197	1.1
311.08929	1.2
315.12079	1.5
333.13153	3.3
343.11426	2.3
361.12460	5.2
375.14069	4.2
393.15173	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	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01855	3.2
55.05499	3.4
57.03418	3.0
61.02906	3.8
63.05097	1.1
65.03930	2.8
67.05502	100.0
68.99772	1.9
69.03427	17.8
69.07059	2.7
69.94961	5.2
71.04972	1.8
73.02909	3.4
79.05476	3.1
81.03415	13.0
81.07059	11.6
85.02898	44.7
87.00816	18.2
91.05463	2.0
93.07040	1.3
95.04960	1.2
97.02888	18.8
98.21458	1.4
99.04433	4.0
103.22526	1.1
105.01194	1.6
105.01862	30.5
105.07014	1.6
107.08597	2.6
108.04460	2.8
109.02867	11.7
109.10151	53.1
115.03867	1.3
126.05489	1.1
127.03908	29.6
129.01859	2.0
133.10104	1.1
136.06181	1.8
139.62671	1.0
145.04950	15.5
147.02849	1.4
147.45386	0.9
159.02866	6.9
162.12869	1.0
168.77086	1.0
171.11740	1.0
189.03940	1.9
231.04991	9.2
237.52971	1.2
248.07628	1.5
249.05998	2.2
278.15729	1.3
287.20389	1.3
300.50833	1.2
314.58612	1.2
392.26205	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	392.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52599	1.9
53.03938	2.7
55.01850	3.1
55.05502	5.1
56.05009	3.1
57.03429	3.1
57.07050	3.2
58.25766	2.0
61.84082	1.9
67.05479	6.7
68.05009	5.5
68.79367	2.2
69.03393	5.8
69.07049	7.6
70.06570	4.0
70.22563	9.4
72.08103	2.9
76.39665	2.1
79.05482	20.4
80.04984	4.1
81.03417	4.5
81.07040	7.9
82.06586	4.9
83.08583	6.5
84.04501	5.2
85.02895	5.8
86.09704	20.9
91.05468	23.5
93.07044	17.0
94.02928	4.0
94.06545	5.1
95.04943	7.5
95.08582	7.2
96.04456	7.6
97.02892	2.8
97.06545	3.0
99.04493	2.8
103.05437	3.8
105.07030	39.8
106.06542	6.9
107.04939	3.2
107.08601	18.0
108.08102	4.2
109.06477	3.8
109.10133	5.8
110.02397	4.3
110.06059	11.6
112.03925	4.4
114.01876	15.3
115.05428	4.4
117.07027	10.5
119.08583	30.7
120.08073	8.9
121.10115	10.7
123.08069	2.9
124.03915	5.6
124.07587	2.9
126.05488	6.8
128.03427	9.3
128.06184	8.4
129.06956	8.8
131.08560	43.6
133.10109	46.9
134.05981	3.9
135.08023	7.4
135.11636	4.9
136.03871	2.7
136.07570	6.1
137.05978	5.0
138.01826	6.2
138.05449	3.6
140.03423	13.4
141.07008	4.6
142.04990	2.7
142.07765	10.3
143.08566	28.1
144.09309	3.1
145.10107	19.4
147.11673	7.3
152.03346	3.1
154.04999	13.6
155.08450	2.8
156.09311	6.6
157.10110	29.9
158.04494	3.9
158.09729	2.7
158.10825	11.4
159.11670	8.5
161.09601	13.9
162.05518	4.4
162.09019	3.3
164.07114	2.7
169.10080	6.1
170.04439	3.7
170.10899	2.4
171.11649	9.2
172.11243	2.6
173.09616	3.3
173.11771	3.4
173.13251	49.7
175.14806	3.6
178.04979	8.6
180.06528	6.9
184.12430	6.4
187.14775	4.0
188.05580	18.8
189.16301	3.6
191.14308	7.8
199.14801	43.3
199.17928	3.1
202.07010	2.9
217.15877	32.8
228.08656	9.8
241.41113	2.4
244.09744	5.0
252.08591	14.5
254.10214	10.0
254.15219	2.6
270.11276	2.5
273.07669	2.6
276.12390	2.5
282.14993	2.6
288.19531	2.5
300.15860	8.8
318.13394	4.2
318.16797	4.2
374.19641	24.4
392.20609	100.0
399.49481	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	392.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.05500	1.7
56.05021	2.2
57.03437	13.8
58.99587	7.9
61.01143	1.3
65.03959	1.0
67.05495	1.8
70.06601	1.0
70.11794	3.1
76.02230	51.5
76.04001	2.1
83.06111	2.3
84.04507	26.1
84.08147	5.9
85.02921	1.4
85.06545	23.8
86.99051	2.3
87.02692	1.7
88.02220	2.7
89.00623	2.9
92.75385	0.9
96.08141	1.1
99.02664	5.0
99.05597	2.1
100.39703	1.0
108.08110	1.2
112.03960	2.3
116.01682	13.7
117.03716	100.0
124.07607	1.2
125.04240	2.6
125.07843	1.0
129.06621	4.5
130.04997	13.7
136.07599	1.9
137.07990	1.0
141.04826	1.3
142.03224	3.0
142.06851	8.3
142.08646	1.1
143.05276	4.0
144.01146	8.1
147.04378	1.8
149.02345	1.1
150.02682	1.1
160.07932	20.2
162.02203	27.9
170.02841	1.1
179.04849	21.9
187.05368	2.0
192.81410	1.0
228.06866	1.5
233.05911	4.9
245.09557	72.5
246.07951	3.6
246.10129	1.3
263.10709	4.4
270.13364	1.5
288.14325	1.6
299.10785	1.2
317.11664	13.8
329.11771	1.2
392.14935	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	391.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01873	1.7
51.05775	1.8
51.73923	1.9
53.03933	3.2
55.01847	2.6
55.05313	1.9
55.05505	20.8
56.05004	2.8
57.03410	3.4
57.07055	7.9
58.04662	1.9
62.69826	1.9
67.05506	28.1
67.53265	1.8
69.03413	5.3
69.07058	24.7
70.06580	3.2
71.04974	2.4
71.57583	3.5
73.02898	2.2
74.02428	2.5
79.05476	18.2
80.05004	2.9
81.03374	2.6
81.07048	57.7
82.06564	2.7
83.05012	2.9
83.08610	8.7
85.02892	2.5
87.05592	4.9
91.05479	22.5
92.05814	1.9
93.07031	29.5
94.06519	2.2
95.04944	6.9
95.07982	3.7
95.08595	76.0
97.08867	2.4
97.10148	6.2
98.09682	3.8
98.31294	2.2
105.07014	41.4
107.08585	35.5
108.08088	12.7
109.06559	2.7
109.10152	29.3
110.09659	2.2
111.11660	2.4
115.05438	2.9
117.06999	9.7
118.99046	1.9
119.08564	35.9
120.08124	2.1
121.06461	3.2
121.10128	15.3
122.09641	4.7
123.08043	4.4
123.11699	16.1
125.13226	2.0
128.06178	3.9
129.06987	9.4
131.08546	40.7
133.06227	2.2
133.10101	20.2
135.11682	11.1
136.07559	1.9
137.13229	17.4
141.06970	5.2
142.04948	1.9
142.07780	6.4
143.08530	22.4
145.06165	2.6
145.10120	56.6
147.08075	2.9
147.11673	15.4
149.02310	15.5
149.13248	15.5
150.09109	9.4
151.14877	2.7
154.08621	11.1
155.08527	12.2
156.09189	2.3
157.10132	21.9
159.11661	27.1
161.13260	16.6
163.14822	15.5
165.12759	2.1
167.03409	3.1
168.09219	2.6
169.10118	16.0
171.11674	10.7
172.12415	2.9
173.13252	19.4
175.14806	29.9
177.16356	8.3
181.10123	2.3
182.10950	2.0
183.11678	14.7
185.13268	10.1
187.14809	100.0
189.16357	40.6
189.17896	1.5
191.17856	10.9
195.11682	3.2
196.09656	5.6
197.13228	13.6
199.14754	10.8
201.16351	51.4
203.17938	5.3
209.13225	3.9
211.14813	12.9
213.12320	36.3
213.16402	17.2
215.17920	7.4
217.19478	6.5
223.14767	3.0
225.16440	10.7
227.17941	7.1
229.19482	6.2
237.16415	4.0
239.17947	14.4
241.19455	12.8
243.21140	3.9
253.19475	76.4
254.19858	3.1
255.20999	3.9
257.22678	2.6
265.19489	2.5
267.21017	9.6
281.22589	2.1
288.13013	2.1
293.22549	3.4
307.24371	3.8
321.25833	2.7
335.27484	2.4
348.27985	3.2
359.12338	2.5
373.25601	3.4
374.23410	2.8
391.26007	23.9
391.33578	81.2
392.34042	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	391.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01855	3.0
55.02430	2.3
55.05507	12.6
57.07061	7.3
67.05502	25.7
69.03415	6.9
69.07072	20.7
70.06588	5.8
70.30423	9.4
71.04993	2.7
72.04498	4.5
79.05495	15.0
79.05882	3.1
81.03416	3.8
81.07052	46.8
83.04967	3.3
83.08611	8.5
84.08139	2.7
85.02875	4.1
91.05502	17.4
93.07031	30.0
95.04944	6.0
95.08603	79.8
97.02895	4.5
97.06486	3.2
97.10184	4.7
102.03745	3.0
103.05466	2.8
105.07021	29.8
106.06551	3.3
107.04963	3.7
107.08589	40.9
108.08057	3.6
109.10153	30.1
115.05446	5.6
117.07005	7.3
119.08585	33.7
120.08060	6.3
120.08891	3.6
121.10161	24.4
123.11706	13.5
129.07013	7.2
131.08588	18.6
133.10120	27.0
134.09630	3.9
135.11708	20.3
136.07593	4.4
137.05969	5.6
137.13258	12.9
143.08563	14.7
144.09380	2.8
145.10112	23.9
147.04387	2.9
147.11674	20.4
148.11217	3.1
149.02339	20.5
149.08357	2.9
149.13249	20.5
151.14824	8.4
155.08517	4.0
157.10118	11.7
159.11713	20.0
161.05956	4.4
161.13246	14.1
162.12796	9.4
163.14807	22.1
167.08475	4.4
169.10126	8.0
171.11658	14.1
173.13295	13.5
175.14830	13.9
177.05475	3.3
177.16374	5.9
182.10873	3.5
183.11671	9.0
185.13240	10.1
187.07487	2.9
187.14803	25.5
188.14131	2.9
189.16386	54.9
191.17892	3.6
197.13226	5.6
199.14757	12.3
201.16403	20.1
203.17975	17.1
204.18668	2.9
209.05994	2.4
209.13368	3.3
211.14716	2.5
213.16309	13.4
215.06984	4.0
215.17967	10.4
217.19576	3.1
219.15041	3.0
225.16449	3.9
227.17941	14.8
229.19557	15.3
230.11780	31.5
233.16454	5.2
239.17873	15.7
241.19490	21.8
243.21039	3.9
246.11002	3.1
251.17842	2.8
253.19588	27.5
255.21014	20.2
260.12711	4.8
263.14096	2.8
267.21121	8.1
269.22717	3.8
276.23203	2.8
277.15387	9.5
281.22604	2.9
286.20175	2.5
287.09326	2.9
293.18671	5.9
293.22397	3.5
299.16840	2.6
335.27148	3.3
347.16833	5.7
348.28098	3.7
349.28577	4.2
363.37146	2.6
373.10129	3.1
374.23392	4.2
386.13464	2.3
391.26086	24.5
391.33557	100.0
392.34018	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	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.1
55.01849	1.7
55.05504	9.4
57.07053	4.2
59.54048	1.6
65.03918	3.6
67.05497	13.4
69.03407	3.1
69.07061	10.5
69.11600	1.9
71.58186	3.8
79.05481	19.0
81.07056	32.6
83.04961	3.6
83.08610	2.2
85.06502	3.3
91.05474	31.8
93.07038	28.0
95.04968	32.2
95.08598	18.5
97.06501	2.8
103.05427	2.5
105.07026	55.8
107.04893	2.2
107.08001	1.9
107.08585	23.7
109.06465	8.1
109.10113	7.7
110.69912	1.8
115.05409	5.1
117.07008	11.4
119.07809	3.2
119.08571	43.8
121.06519	11.5
121.10136	16.2
123.08025	4.1
123.11657	3.1
128.06163	8.5
129.07008	11.2
130.07724	6.9
131.07759	1.8
131.08568	23.0
133.06438	3.6
133.10130	15.8
135.07988	4.6
135.11757	2.0
137.77249	1.7
141.06935	6.3
142.07777	14.2
143.08575	25.8
144.09265	3.4
145.06430	3.1
145.09077	2.7
145.10115	35.3
147.08009	5.0
147.11636	5.0
149.02255	8.6
149.09604	5.0
149.13232	2.1
153.06975	4.3
154.07732	3.0
155.08560	14.4
156.09343	10.8
157.10126	28.8
158.10837	3.4
159.08011	5.1
159.10468	1.8
159.11662	14.3
161.09579	6.7
161.13206	2.4
165.06882	5.3
166.07684	3.3
167.08548	9.9
167.80760	1.9
168.09276	4.3
169.10123	17.4
170.10777	5.1
171.07994	3.5
171.11664	21.0
173.09558	6.9
173.13249	11.1
175.11157	3.3
175.14685	2.9
179.08536	13.7
180.09271	4.5
181.10059	10.9
182.10864	7.2
183.11659	15.5
184.12350	3.7
185.09576	2.5
185.13177	6.3
187.11122	5.6
187.14809	3.0
189.12491	1.8
191.08534	2.8
191.14261	3.6
192.09258	5.5
193.10071	12.2
194.10855	8.2
195.11655	16.5
196.12360	5.3
197.09584	3.2
197.13255	11.9
197.14717	2.4
198.10231	2.0
198.13834	2.6
199.11099	5.9
199.14763	5.6
201.12808	3.4
203.08502	1.9
204.09244	2.4
205.10083	3.0
206.10808	7.2
207.11720	17.1
208.12373	5.2
209.09563	2.7
209.13257	15.3
210.13870	3.2
211.11102	2.4
211.14703	7.4
212.07539	1.9
213.12698	3.7
215.10596	2.1
215.14217	3.1
218.10855	2.8
219.11653	7.7
220.12407	4.3
221.13240	12.5
222.13895	4.9
223.14714	9.3
225.12526	3.2
225.16187	5.1
227.14340	3.4
229.15945	2.2
231.11647	4.9
233.13118	8.1
233.15282	5.4
234.13974	2.8
235.14746	8.1
236.15448	2.7
237.12651	2.4
237.16362	4.2
239.18013	2.3
243.11615	4.0
245.13155	4.1
246.13956	2.9
247.14743	5.9
248.15526	2.6
249.16286	9.4
251.14195	3.7
251.17908	4.4
259.14697	3.7
261.12540	2.0
261.16153	4.6
263.17780	5.5
267.17352	4.2
269.13196	1.9
271.14520	3.5
273.16092	2.9
275.17838	4.9
277.19318	4.5
281.19058	2.1
282.19611	6.5
287.17953	2.3
289.19455	2.3
291.17392	3.0
293.18829	3.3
295.20221	2.1
297.18448	4.2
307.20276	2.3
317.18561	3.5
335.19800	3.7
355.24298	3.1
363.26404	2.9
373.25299	13.9
391.24930	100.0
391.35757	8.0
392.25549	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.96553	1.4
59.40915	0.7
62.76103	0.7
67.05482	2.2
69.07066	1.1
69.54554	5.1
72.59894	0.6
79.05466	1.9
81.07041	2.5
83.08624	0.9
84.82170	0.6
91.05461	1.5
93.07008	2.0
95.04956	0.8
95.08587	2.2
100.93511	0.7
105.07027	1.9
105.22226	0.7
107.08590	2.0
108.08122	0.8
109.06506	0.8
109.10140	2.7
117.07003	0.9
119.08585	1.9
121.10171	0.8
131.08556	0.8
133.10121	1.6
135.11761	1.0
137.09575	0.6
140.30637	0.6
143.08557	1.2
145.10136	1.5
149.02289	3.8
156.47702	0.7
157.10126	1.3
159.11725	1.0
170.06433	0.7
173.13188	0.9
175.93770	0.6
251.13800	1.5
259.12036	1.5
260.12555	1.4
271.83914	0.7
285.41913	0.7
293.18604	0.9
321.16724	1.6
332.16757	0.9
350.17126	2.1
368.18323	5.8
391.24524	100.0
392.24930	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	391.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.15116	1.0
55.01870	1.6
55.05505	4.4
56.05016	1.3
56.96573	1.1
57.07082	2.1
61.02904	0.9
65.03907	1.0
67.05511	7.2
68.65901	1.1
69.03424	1.4
69.07064	5.5
70.06579	2.1
70.19991	1.9
70.20403	4.2
72.04512	18.7
79.05499	7.0
81.07056	9.8
83.27061	1.0
85.02938	2.6
87.05543	1.1
88.03986	1.8
88.68462	1.4
91.05473	6.9
93.07040	12.9
94.06573	1.5
95.04977	2.1
95.08598	7.9
97.02885	1.6
97.10134	1.1
103.05454	1.4
105.07023	6.9
106.06556	1.8
107.07368	2.4
107.08589	5.8
108.08117	4.2
109.02872	1.0
109.10164	4.4
116.03460	1.1
117.07005	2.3
118.06521	1.3
118.90356	1.1
119.07306	1.1
119.08592	8.3
120.08103	3.7
121.10149	3.0
122.09663	2.8
123.11649	1.2
127.03968	2.3
129.06976	1.0
131.04863	1.0
131.08536	3.0
132.08096	1.5
133.08897	1.8
133.10106	5.4
134.09650	52.4
135.08047	1.2
135.10086	1.2
135.11618	4.9
136.07567	1.3
137.06021	1.4
137.13307	1.8
138.09094	1.6
143.08539	1.7
144.08113	1.1
144.98198	1.1
145.10098	4.7
146.09605	6.6
147.04353	1.7
147.10388	4.6
147.11684	2.8
148.11230	11.2
149.02319	8.2
149.13258	2.4
150.09117	1.7
155.08586	1.2
157.10103	1.9
159.11629	2.2
160.11203	3.1
161.13248	4.7
161.90770	1.0
162.12775	57.3
163.13242	1.8
163.14728	1.2
164.14403	1.1
171.11734	2.5
173.13255	2.3
174.12782	2.9
175.14853	1.3
176.14342	13.4
177.15065	4.3
178.11020	4.9
178.15854	1.8
187.14760	1.5
188.14325	13.2
189.16417	2.2
190.15916	12.3
191.09392	7.1
191.11824	2.2
192.10124	2.2
201.16461	1.3
204.10062	1.3
204.17493	1.4
205.07356	1.1
205.13394	2.2
215.15419	2.2
217.19585	1.5
219.14935	9.6
228.72272	1.1
231.14883	7.0
232.13324	1.6
233.16492	28.5
234.11435	1.3
234.14899	11.8
234.16920	1.1
246.11324	3.0
247.18080	2.6
249.19630	6.6
259.14462	7.8
259.20651	1.0
260.12799	18.4
263.13953	2.1
276.15906	4.2
276.23260	5.2
277.15472	58.1
278.15839	3.2
279.17114	1.1
293.18564	61.7
293.65256	1.1
294.19012	1.7
302.24808	3.1
321.18146	1.7
328.22498	2.0
332.22171	2.3
345.25342	2.8
346.23685	2.1
347.16885	1.7
347.23340	1.7
347.26938	8.1
373.24823	3.7
374.23169	14.1
391.25897	100.0
391.33945	2.7
392.26431	7.9
407.51825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.4
56.96552	1.6
57.07061	0.7
59.00564	0.6
67.05500	3.5
68.57542	0.6
69.07053	2.9
71.58184	1.2
78.08441	0.6
79.05476	2.8
81.07052	3.4
83.04942	0.8
83.08592	1.0
91.05455	2.1
93.07011	2.4
95.04939	0.9
95.08574	3.4
105.07024	2.7
107.08569	3.1
109.06490	1.8
109.10139	2.4
110.07092	0.7
117.06987	1.4
119.08546	2.0
121.10125	1.5
127.13889	0.7
129.06999	0.9
131.07556	0.6
131.08521	1.5
133.10081	1.8
135.11655	0.8
143.08493	1.1
145.10092	2.6
147.11650	1.0
149.02356	4.8
149.13173	0.9
157.10107	0.8
159.11736	1.2
161.13283	1.3
163.11157	0.8
173.13303	0.9
175.14836	0.9
183.11690	0.8
187.14740	1.5
199.14833	0.8
201.16341	1.2
217.07484	0.7
239.17722	0.7
241.19461	0.8
251.13870	1.4
253.19325	0.8
256.62820	0.8
262.99286	0.8
269.10590	0.9
293.18631	1.0
321.16550	2.5
351.18356	1.9
362.11121	0.7
369.19421	2.3
391.24500	100.0
391.33325	3.7
392.24966	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
56.96565	0.6
57.07049	0.5
67.05505	1.0
69.76821	2.8
71.12945	0.4
72.09419	0.4
79.57629	0.4
81.07048	0.6
81.56934	0.4
91.05467	0.5
93.07032	0.8
93.57555	0.5
94.36598	0.5
95.04922	0.6
95.08585	0.5
98.20759	0.6
105.07043	0.6
119.08643	0.7
133.10162	0.5
149.02347	2.7
171.11696	0.4
212.67522	0.5
285.94278	0.6
385.69739	0.5
391.24530	100.0
392.24890	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71380	0.4
51.59078	0.4
56.96550	0.5
67.05489	0.8
69.07065	0.5
70.06589	0.6
81.07040	0.8
93.07030	0.7
95.08620	0.7
98.20789	0.9
105.07021	0.7
107.08567	0.5
109.10122	0.5
119.08588	0.9
148.31511	0.4
149.02400	1.1
176.56700	0.4
317.20956	0.5
329.32434	0.9
391.24539	100.0
392.24948	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01859	11.1
55.05496	17.7
57.03136	3.5
57.03423	8.2
57.07064	8.4
67.05502	26.8
69.03425	21.9
69.07058	8.9
70.06593	6.2
70.38011	12.6
71.04977	17.7
72.04517	19.1
72.07735	3.6
72.08136	3.7
79.05476	12.8
79.65634	3.8
81.03403	17.4
81.07058	21.2
83.04976	11.2
83.08614	10.0
85.02908	39.6
85.06529	5.6
87.00804	9.5
87.05610	3.9
91.05480	18.7
93.07023	16.0
95.04983	19.7
95.08599	17.9
97.02885	21.0
97.06534	9.5
99.04453	6.4
100.11246	8.2
105.01869	10.3
105.07013	12.7
107.04962	5.5
107.07385	5.4
107.08587	44.2
108.08102	7.7
109.02883	17.7
109.10143	10.8
114.10278	4.9
117.07012	5.8
119.08575	16.9
120.08093	6.4
121.10139	11.2
122.09657	6.9
123.08015	4.9
125.09619	47.4
127.03907	26.2
131.08557	8.5
133.10117	11.5
134.09645	36.5
135.11705	9.3
136.07629	4.9
137.09579	5.2
137.13156	4.9
143.10664	63.9
145.04927	6.6
145.10144	9.2
146.09615	6.9
147.11653	6.9
148.07576	6.1
148.11160	8.8
149.02315	28.1
157.10121	7.5
159.02893	9.6
159.11678	10.9
161.13290	6.9
162.05663	4.0
162.12767	60.0
164.07013	9.0
167.10675	14.7
171.11688	5.3
173.13248	6.8
176.14369	8.4
187.14864	4.3
188.14391	18.5
190.15881	5.8
191.09303	5.3
210.14912	4.9
215.15260	4.4
231.14955	5.0
233.16499	34.0
234.14729	7.7
249.19644	4.7
259.14465	6.3
260.12839	16.2
269.12741	8.0
276.23123	4.9
277.15439	48.6
287.14063	8.6
293.18579	34.8
321.18106	4.6
332.22256	8.8
347.16809	12.2
347.23230	5.5
347.26978	10.2
373.25031	5.8
374.23328	10.8
391.26154	100.0
391.33615	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	391.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01859	11.1
55.05496	17.7
57.03136	3.5
57.03423	8.2
57.07064	8.4
67.05502	26.8
69.03425	21.9
69.07058	8.9
70.06593	6.2
70.38011	12.6
71.04977	17.7
72.04517	19.1
72.07735	3.6
72.08136	3.7
79.05476	12.8
79.65634	3.8
81.03403	17.4
81.07058	21.2
83.04976	11.2
83.08614	10.0
85.02908	39.6
85.06529	5.6
87.00804	9.5
87.05610	3.9
91.05480	18.7
93.07023	16.0
95.04983	19.7
95.08599	17.9
97.02885	21.0
97.06534	9.5
99.04453	6.4
100.11246	8.2
105.01869	10.3
105.07013	12.7
107.04962	5.5
107.07385	5.4
107.08587	44.2
108.08102	7.7
109.02883	17.7
109.10143	10.8
114.10278	4.9
117.07012	5.8
119.08575	16.9
120.08093	6.4
121.10139	11.2
122.09657	6.9
123.08015	4.9
125.09619	47.4
127.03907	26.2
131.08557	8.5
133.10117	11.5
134.09645	36.5
135.11705	9.3
136.07629	4.9
137.09579	5.2
137.13156	4.9
143.10664	63.9
145.04927	6.6
145.10144	9.2
146.09615	6.9
147.11653	6.9
148.07576	6.1
148.11160	8.8
149.02315	28.1
157.10121	7.5
159.02893	9.6
159.11678	10.9
161.13290	6.9
162.05663	4.0
162.12767	60.0
164.07013	9.0
167.10675	14.7
171.11688	5.3
173.13248	6.8
176.14369	8.4
187.14864	4.3
188.14391	18.5
190.15881	5.8
191.09303	5.3
210.14912	4.9
215.15260	4.4
231.14955	5.0
233.16499	34.0
234.14729	7.7
249.19644	4.7
259.14465	6.3
260.12839	16.2
269.12741	8.0
276.23123	4.9
277.15439	48.6
287.14063	8.6
293.18579	34.8
321.18106	4.6
332.22256	8.8
347.16809	12.2
347.23230	5.5
347.26978	10.2
373.25031	5.8
374.23328	10.8
391.26154	100.0
391.33615	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	391.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58579	1.0
65.03938	1.9
67.05499	4.5
70.70037	3.7
76.67319	1.1
79.05497	1.7
81.07042	1.5
81.96465	1.0
91.05465	2.4
93.05764	1.2
93.07023	1.2
94.06546	4.4
95.04960	1.6
96.08109	3.1
108.08107	17.4
118.06512	5.0
119.07299	3.6
120.08076	4.8
122.06007	3.7
123.06799	3.7
124.07591	40.0
124.08497	2.2
125.07945	3.7
136.07570	94.1
137.07907	1.7
142.08655	1.3
146.05997	5.1
147.06822	2.2
148.07552	4.2
160.07562	1.5
161.07146	1.3
164.07060	40.0
165.07408	1.4
170.08421	1.2
173.10713	2.0
181.08887	2.6
195.09164	1.3
196.11243	2.5
197.10728	2.5
198.11476	1.8
201.10287	2.4
211.08690	3.4
212.09387	1.9
213.10181	6.2
213.13893	3.6
223.12141	1.6
224.10735	2.6
225.10155	6.4
226.10953	12.6
227.11790	2.2
239.08215	1.2
239.11674	1.3
240.09026	1.6
240.12624	2.1
241.09735	7.8
241.13332	24.1
253.09695	1.1
254.10536	5.1
259.14426	10.4
269.12848	91.9
270.13126	4.5
279.98843	1.1
287.13889	100.0
288.14346	3.4
290.71231	1.1
305.14911	26.0
337.34174	1.1
345.14288	1.1
355.12817	3.0
373.14157	5.3
391.14886	7.0
392.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05532	0.6
67.05490	1.0
69.07034	1.0
69.93143	3.6
70.06577	1.7
81.07034	1.2
84.08119	0.7
85.02898	1.6
86.09724	0.6
94.06563	1.2
94.79805	0.6
95.04958	1.3
97.02886	0.8
98.20753	0.8
105.47961	0.6
108.08122	2.6
108.27358	0.7
109.10129	1.2
114.27563	0.7
120.04439	1.1
128.24089	0.6
138.05516	2.2
146.06009	1.3
147.93524	0.7
148.07541	2.7
149.02301	1.9
166.05009	1.7
173.46370	0.8
174.05446	1.1
185.46909	0.7
189.10219	2.8
196.07646	0.7
196.09990	0.8
197.07047	1.6
197.10834	1.5
198.07803	1.1
199.08669	3.1
200.09225	0.8
201.10161	1.1
202.08672	0.9
202.11023	0.9
203.11636	0.8
209.10742	1.0
210.07755	1.1
211.08647	9.7
211.12268	2.3
212.09299	4.2
213.10197	5.3
219.53046	0.7
221.10747	2.0
222.09082	2.3
222.11212	0.7
223.08658	0.9
224.09142	1.4
224.10970	1.6
225.06834	4.7
225.10217	27.3
226.10846	2.8
227.11783	2.9
228.10234	1.2
229.09679	2.9
230.11896	0.9
237.10263	1.4
239.08061	2.9
239.11763	19.0
240.08931	1.2
240.12277	1.1
241.09741	5.8
241.13367	1.6
243.07672	2.0
243.11168	1.0
244.12051	1.3
245.12842	24.4
249.10237	2.5
250.08533	1.8
251.08247	1.4
251.11852	1.0
252.08682	3.8
253.09737	12.0
254.10455	3.1
255.11278	5.4
257.09039	1.0
257.10175	0.9
257.12845	8.8
259.10849	1.4
267.08215	0.9
267.11267	26.0
268.11929	2.4
269.08954	0.9
269.12698	3.4
273.12350	1.6
279.11447	0.8
281.09189	1.1
283.10812	2.5
284.11447	3.1
285.09027	1.3
285.12311	12.1
295.10767	17.3
297.12320	2.3
301.11801	5.4
303.13229	0.9
313.11801	100.0
314.12115	2.4
315.13382	2.6
323.10159	1.8
331.12866	24.8
332.13211	0.8
341.07523	1.2
341.11304	10.8
345.14316	0.8
359.08810	1.2
359.12369	30.9
373.13937	28.8
373.17694	0.5
373.23846	0.8
391.14987	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	391.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60672	0.8
55.01869	1.7
57.91240	1.0
58.68001	0.8
58.68340	0.9
61.02900	1.5
67.05492	3.4
69.03429	2.2
69.07061	1.1
70.06585	2.3
70.92223	2.0
70.92577	1.3
79.05463	0.9
81.07050	1.8
83.04966	1.0
85.02917	1.7
86.09695	1.2
93.07044	1.2
94.06586	0.9
95.04973	1.8
97.02919	1.1
97.06549	1.7
99.04430	1.2
108.04468	1.5
108.08109	1.6
109.10149	3.4
120.04466	0.8
127.03916	1.1
130.06519	3.0
138.05507	2.4
142.12236	1.1
146.05978	2.4
148.07562	2.5
148.60701	0.8
149.02347	3.3
158.06027	1.0
161.10724	1.0
166.04962	2.7
168.06561	1.4
173.11789	1.3
174.09117	1.4
181.08931	1.4
182.08212	0.9
183.09161	1.5
185.10785	1.6
189.10233	2.8
196.09767	1.0
197.07114	1.6
197.10762	3.0
198.07727	1.2
199.08672	4.1
201.10287	1.0
202.08600	1.3
206.08090	1.1
207.09105	1.1
209.10759	1.5
210.07718	1.2
211.08655	16.0
211.12216	2.3
212.09471	3.7
213.10172	7.4
221.10796	3.1
222.09180	2.8
222.11446	1.0
223.08598	1.6
224.09181	1.5
224.11026	2.1
225.06879	5.8
225.10202	28.6
226.10843	3.6
227.11797	3.3
228.10356	1.1
229.09735	2.5
238.10709	1.4
239.08138	3.5
239.11760	19.6
240.08922	1.8
240.12448	1.5
241.09645	3.1
241.13452	3.0
243.07645	3.4
244.12024	1.4
245.09084	1.2
245.12857	25.0
249.10306	2.0
250.08665	1.3
251.08090	1.5
251.11797	1.2
252.09029	3.4
253.09726	15.7
254.10510	2.5
255.11220	4.3
257.09445	1.6
257.12842	8.4
267.08441	1.2
267.11295	33.7
268.11957	3.7
269.12836	3.8
270.09805	0.9
271.10767	1.7
273.12268	1.2
278.08270	1.3
279.11227	1.4
281.09256	1.8
283.10745	3.4
284.11526	3.0
285.08884	1.6
285.12247	10.9
295.10736	17.0
296.11237	1.1
297.08963	1.1
297.12381	3.9
301.11758	4.8
313.11810	100.0
314.12195	3.9
315.13345	3.1
323.10138	2.3
331.12842	17.2
341.11359	9.5
355.12720	1.2
359.12399	28.4
360.12640	0.9
373.13934	82.9
373.23984	2.3
374.14255	4.0
391.14911	11.0
391.18869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	4.6
56.96564	67.8
64.17572	2.4
67.05487	3.2
69.03454	2.4
69.30735	3.2
71.08634	2.6
71.57740	2.3
71.58203	3.7
71.95259	6.9
73.09875	2.6
73.11781	2.5
74.71593	2.7
79.05502	6.6
80.79223	2.5
81.07044	7.4
83.08672	2.7
83.66606	2.4
83.97818	2.7
91.05504	5.4
93.07010	4.4
105.07020	4.9
107.08578	2.8
107.77771	2.8
117.07111	3.0
119.08586	3.7
123.04383	3.5
128.98579	3.6
133.01843	2.6
145.01772	3.2
146.99620	9.2
155.03821	4.6
165.00688	2.9
171.03311	4.8
185.04892	7.7
189.04375	11.1
199.06453	8.9
201.04495	3.8
203.05899	12.2
207.07053	3.3
211.06433	4.5
213.07932	16.7
217.07385	20.9
225.07956	9.9
227.09596	3.9
229.07399	4.3
231.09016	27.7
239.09540	4.2
243.09074	8.6
245.10599	5.3
249.07947	5.8
251.09570	10.3
255.08989	26.0
257.10605	3.2
267.09027	35.9
269.07767	5.4
269.10587	100.0
273.03952	3.5
273.10062	18.6
278.10751	5.5
279.09113	3.5
285.10104	56.8
287.11639	56.7
292.12177	14.7
303.11133	7.4
308.11697	8.2
331.15784	8.5
349.16800	31.1
367.17941	44.2
385.18872	10.6
390.19543	9.2
390.26743	3.8
391.11893	3.2
395.97458	2.9
399.47681	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	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58682	3.5
56.96298	6.3
56.96564	100.0
57.03425	4.1
57.04014	3.7
58.89623	3.0
69.07088	4.6
70.26025	6.4
70.26418	8.5
70.37560	3.4
71.95253	7.0
79.05484	5.8
81.07013	5.1
85.02895	3.9
90.78076	3.5
91.05489	5.5
93.07034	7.2
105.07040	7.1
111.84008	3.0
128.98604	10.9
137.02768	3.9
141.02249	4.0
146.99637	15.0
147.03215	3.9
155.01805	4.7
155.03818	6.9
163.46988	3.7
167.03770	4.0
171.03336	11.9
173.03047	6.5
173.04839	4.9
181.05283	3.5
184.86240	3.4
185.03247	3.0
185.04898	11.2
189.04288	13.0
197.04883	6.3
199.06384	17.5
201.04218	6.6
202.61108	3.8
203.05923	22.2
205.07596	3.3
211.06407	8.1
213.07979	10.6
217.07460	30.6
225.08017	8.4
227.09579	7.5
229.07297	5.3
231.07050	4.0
231.08884	16.4
237.07936	9.7
239.09590	6.9
243.08990	10.6
245.10695	8.6
249.07832	6.5
251.09506	13.0
255.09071	35.2
257.10605	9.1
259.08591	6.6
267.09015	55.0
269.10559	92.7
271.33414	3.5
273.10104	33.4
278.10599	5.2
285.10086	95.2
287.11667	53.5
289.04022	6.9
290.10641	9.6
292.12155	11.9
303.11148	15.2
308.11694	15.9
310.13297	5.3
331.15808	14.0
349.16882	54.4
367.13715	6.7
367.17953	90.5
372.18832	6.6
385.18808	13.9
390.19177	15.5
390.23325	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02365	0.8
53.03944	3.4
55.01873	3.8
55.05500	1.7
57.03437	7.8
57.64574	0.5
63.28638	0.6
65.03939	1.8
67.05504	4.0
69.03424	2.2
69.07056	2.2
69.92982	3.1
70.06590	1.1
71.01364	1.0
71.05001	0.6
73.02920	2.7
75.74126	0.5
77.03923	1.1
79.05488	16.4
81.03419	2.5
81.07040	2.4
83.01328	4.7
83.04989	2.7
84.04461	0.6
85.02886	3.0
85.06522	0.8
87.00808	0.6
91.05463	4.2
93.07034	1.6
95.01325	6.5
95.04964	10.5
95.08594	0.9
97.02885	2.0
97.06514	3.4
98.20811	0.6
99.00791	0.6
99.04453	1.0
101.02373	1.3
103.03954	0.7
103.05456	11.1
104.06261	1.9
105.07024	100.0
106.07366	2.1
107.04948	1.5
109.02903	0.9
109.06519	1.7
111.00800	1.2
111.04435	2.9
111.36137	0.5
113.02334	1.1
113.06016	1.2
117.07012	0.6
120.08107	0.9
121.02895	0.7
121.06480	0.9
121.10175	0.5
122.09661	1.0
123.04404	4.7
125.02363	0.8
125.05987	3.2
127.03922	1.4
130.06491	0.7
135.04388	1.0
137.05992	1.4
139.03888	2.0
140.03441	1.2
141.01810	1.9
141.04201	5.4
141.05362	1.2
142.02594	0.6
148.07602	0.9
151.03926	1.2
152.03522	0.6
153.05417	1.1
153.32491	0.5
156.02940	0.9
169.04993	0.7
185.49179	0.5
197.06883	3.2
198.53651	0.6
244.09586	0.6
260.09198	4.1
286.14417	5.3
299.86356	0.6
318.13330	3.0
332.11090	1.2
358.16412	2.3
390.15421	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	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15406	0.2
53.03925	0.7
55.01873	0.3
55.05498	0.9
68.05004	0.4
69.03397	0.3
69.07060	0.4
72.73176	0.3
79.05067	0.4
79.05492	5.3
80.05012	1.7
81.03403	0.6
81.05786	4.8
81.07056	2.6
83.68355	0.2
85.02898	0.7
86.09750	0.3
87.00772	0.3
87.89376	0.3
94.06542	0.8
95.04971	0.4
96.08121	17.1
97.06520	0.5
97.08476	0.3
106.06536	2.7
109.02849	0.5
114.48835	0.3
114.58965	0.3
124.07578	100.0
125.05978	0.9
125.07924	2.3
127.03868	0.3
136.83827	0.3
142.08609	0.8
203.99109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96567	1.0
67.05499	1.4
69.07062	1.0
71.57200	0.8
79.05506	1.0
81.07041	1.2
91.05501	0.8
93.07050	1.0
95.04948	0.7
95.08591	1.4
105.07050	1.6
107.08585	1.2
109.10105	1.1
111.37052	0.5
113.29765	0.6
119.08596	1.3
129.07001	0.5
131.08548	0.6
133.10088	0.8
137.27074	0.5
144.77281	0.5
145.10098	1.3
161.01070	0.5
176.99980	0.5
187.14824	1.0
199.92024	0.5
319.07779	0.5
333.19098	0.8
353.58401	0.6
389.22955	100.0
390.23282	5.2
410.39832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2392
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05505	4.0
56.05033	14.2
58.04076	3.4
58.06581	0.9
58.64937	0.8
59.02451	0.7
59.04840	1.1
60.05641	1.9
67.05506	6.1
69.04544	6.0
69.07066	4.6
69.42898	7.6
70.06584	2.2
71.04968	1.1
72.04516	19.5
72.08152	1.2
74.02438	5.5
74.06074	12.5
76.02218	1.3
76.05124	37.9
76.96400	0.9
79.05493	4.3
79.58562	0.7
80.04996	1.4
81.03407	1.2
81.06738	0.7
81.07056	7.3
82.06564	2.6
83.08646	1.4
84.02802	0.7
84.04494	1.1
84.08144	2.0
85.02908	1.2
86.03540	1.4
86.06080	1.1
86.07183	1.7
86.09705	7.5
87.07948	1.1
91.05472	2.6
93.07037	9.3
95.04955	1.1
95.06091	1.2
95.08614	4.8
96.05615	18.0
96.08154	1.5
97.04047	1.0
97.06541	5.0
97.10189	1.5
102.05531	4.7
104.04578	0.8
105.07021	2.6
107.08599	2.6
107.60048	0.7
108.05595	2.5
109.06412	2.0
109.10146	1.2
110.07156	2.2
111.05565	0.9
113.07488	0.8
114.06660	6.0
115.07442	1.8
116.08181	5.0
118.05006	11.5
120.06564	4.1
121.10099	2.7
122.07141	1.3
123.05510	0.9
123.08079	1.1
124.07622	0.9
128.08150	4.0
131.08543	1.1
133.10133	1.9
135.07646	1.9
135.11636	0.9
138.12798	5.4
140.14392	1.2
141.06496	1.1
149.13252	1.6
151.03894	1.1
156.11317	0.9
159.11665	1.0
160.07188	7.7
166.12273	1.3
168.13896	2.5
170.12897	3.0
177.09814	6.6
184.13277	2.1
186.14861	1.4
198.09125	0.9
202.14323	1.3
206.16592	2.3
210.14896	2.4
212.16269	1.3
227.16353	0.9
234.16008	9.6
252.17090	3.8
254.18657	1.7
265.09805	1.1
266.08090	1.5
268.15494	1.4
270.18130	22.2
272.19608	1.1
281.98282	0.8
286.16461	1.8
288.19171	13.4
293.09280	1.7
294.07611	0.9
303.19171	1.7
315.09787	1.1
327.23868	0.9
339.09683	1.3
344.21661	2.0
353.21783	0.8
354.09744	1.9
354.20276	1.9
371.22867	70.1
372.23019	2.9
381.83780	0.9
389.13300	3.2
389.23917	100.0
390.24127	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	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	1.0
62.93530	1.0
67.05514	1.7
67.12181	1.4
69.07040	1.3
70.38872	4.4
77.93626	1.0
81.07065	2.3
82.15298	1.0
91.05493	1.7
93.07047	1.5
95.08603	1.2
100.98489	1.1
105.07041	2.5
123.41946	1.0
133.10104	1.6
143.08524	1.2
157.10107	1.5
161.51019	1.1
300.49106	1.2
308.38571	1.1
348.13251	1.7
349.13049	2.4
366.14307	2.3
389.22940	100.0
390.23267	3.8
390.35739	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	389.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	1.0
62.93530	1.0
67.05514	1.7
67.12181	1.4
69.07040	1.3
70.38872	4.4
77.93626	1.0
81.07065	2.3
82.15298	1.0
91.05493	1.7
93.07047	1.5
95.08603	1.2
100.98489	1.1
105.07041	2.5
123.41946	1.0
133.10104	1.6
143.08524	1.2
157.10107	1.5
161.51019	1.1
300.49106	1.2
308.38571	1.1
348.13251	1.7
349.13049	2.4
366.14307	2.3
389.22940	100.0
390.23267	3.8
390.35739	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	389.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.0
57.03434	12.7
67.05491	37.7
69.03403	8.6
69.07069	11.3
69.93815	8.2
70.06581	47.7
71.04984	27.4
71.56611	11.1
72.08141	16.4
77.49682	8.3
79.05482	34.5
81.03394	13.9
81.07058	45.0
83.04991	16.5
84.04495	13.7
85.02898	21.3
85.06541	100.0
86.06046	15.8
86.09695	88.1
87.04458	19.1
91.05474	41.1
93.07050	58.9
95.04945	21.7
95.08585	19.9
97.02884	10.5
97.06531	22.2
97.63349	8.8
105.07017	38.5
106.26289	8.4
107.04957	20.2
107.08593	57.5
111.04445	9.5
119.08542	29.1
121.06537	10.8
121.10136	35.1
123.08036	12.5
129.73589	8.7
131.04915	15.1
131.08559	95.2
133.10117	19.7
137.09598	10.5
145.10100	33.3
147.11664	10.2
149.09624	73.6
151.11159	9.9
163.11148	22.4
165.09193	11.2
167.10684	29.1
171.11266	16.2
173.09613	12.9
173.13177	12.2
191.10657	69.2
191.14307	19.3
209.11731	97.6
209.15633	10.0
212.52193	8.7
227.12746	65.8
227.16309	12.3
265.09702	12.2
279.07596	11.9
297.08722	13.5
309.08813	13.1
389.13370	28.2
389.18338	10.1
389.23465	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.91259	12.8
67.05498	36.7
69.03418	23.6
69.07059	14.7
70.06596	17.3
70.34840	51.6
74.59793	12.2
79.05473	20.7
81.07058	27.1
85.02888	13.9
85.06540	14.2
86.09701	21.6
91.05422	15.9
93.07037	44.5
95.08596	23.5
97.06593	18.3
105.07011	23.8
106.37072	12.6
107.08582	100.0
109.10188	28.1
119.08598	22.4
121.10149	46.3
123.08028	22.1
131.08574	30.7
133.10130	44.3
137.09520	16.0
139.11156	20.6
147.11642	24.1
149.09660	43.1
149.13261	42.2
151.11217	36.8
163.14815	41.4
165.74692	14.2
173.13249	31.2
191.14319	89.4
192.17787	12.6
209.15385	51.8
227.16420	52.2
285.22263	14.7
347.90005	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48582	0.8
53.03942	6.2
55.01875	8.2
57.03428	6.7
61.02932	7.4
68.99780	2.5
69.03426	33.1
69.33176	9.6
70.06561	3.1
71.01350	0.8
71.04993	5.0
71.53466	1.0
73.02911	6.9
81.03411	23.8
82.95250	0.9
83.01318	0.9
85.02902	100.0
86.03224	1.4
87.00825	40.2
87.04441	1.3
91.03947	2.1
91.05496	1.2
94.04285	0.9
97.02887	31.1
98.21541	1.8
99.04446	14.1
101.02346	1.5
104.10750	1.2
105.01863	62.5
105.07021	15.4
108.04489	2.4
109.02874	29.9
115.03925	1.5
117.01851	3.7
126.05526	1.0
127.03910	72.9
128.04256	1.2
129.01849	2.9
137.05959	7.3
138.06294	3.6
145.04956	33.4
147.02885	2.3
159.02896	15.6
171.02971	1.5
181.04858	1.3
189.03979	4.4
213.03911	3.0
213.09149	1.2
231.05009	18.4
236.70575	0.9
248.07597	1.4
249.06064	4.4
316.15152	0.9
358.13724	1.5
388.14716	3.3
388.23007	1.6
408.58743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01866	5.5
55.05503	3.6
55.86079	2.4
56.05030	2.7
57.03434	9.1
61.79214	3.0
67.05508	5.5
69.03424	34.9
69.07037	2.4
69.46860	24.2
70.06593	11.4
71.01366	2.9
71.04996	10.0
72.58599	2.3
79.05495	6.9
81.03407	30.7
81.07038	3.4
85.02892	51.5
86.03201	2.9
87.00814	29.6
87.04488	3.8
91.05481	5.4
95.04962	3.8
95.08614	4.0
97.02883	63.3
98.20659	4.2
99.04446	25.3
103.05469	3.2
105.01859	25.8
105.02368	2.4
105.07016	78.9
105.07668	4.6
107.08577	3.7
109.02894	13.2
116.98621	3.3
119.04910	2.8
119.08639	2.9
122.00668	2.4
122.03704	10.2
123.03957	3.1
123.08048	3.1
127.03907	100.0
127.04798	5.3
131.08543	2.9
134.99681	3.4
137.05957	81.0
137.06921	5.0
138.06303	47.6
145.04942	60.1
147.04352	2.6
147.11717	3.1
151.03944	10.9
151.07430	2.7
152.04297	5.8
167.07076	10.9
168.07359	6.1
175.07436	3.4
181.04938	17.6
182.05325	12.6
187.07692	3.2
189.12801	2.8
191.06979	2.9
192.07436	3.7
202.12024	2.7
213.03883	3.4
231.04958	40.0
249.05969	12.3
278.96713	2.7
344.27051	3.4
345.14807	2.6
355.11758	2.7
358.13519	13.4
370.13901	5.0
388.14627	22.9
404.23782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1804
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.41862	8.3
63.72678	9.9
67.05489	31.6
69.03418	19.5
69.07065	24.7
70.06586	48.4
70.10014	39.7
70.10384	18.9
71.04991	24.7
72.08138	22.3
79.05482	37.0
81.03400	15.8
81.07047	30.3
83.04977	16.5
84.04498	12.6
84.08131	13.7
85.02901	27.4
85.06535	100.0
86.06030	9.6
86.09709	82.0
87.04454	15.9
91.05470	36.1
93.07047	31.4
95.04956	18.9
95.08611	13.9
97.06506	15.7
105.07031	29.4
106.07294	10.2
107.04927	25.6
107.08569	36.9
111.04452	19.7
114.29309	11.6
119.08560	24.7
121.06500	24.5
121.10102	20.3
131.08586	65.0
133.10132	12.0
137.05968	13.8
137.09586	20.1
145.10146	31.1
149.05911	10.7
149.09608	72.9
155.07083	14.3
163.11156	24.6
167.07053	12.3
167.10649	27.7
173.13057	12.5
191.10696	72.2
194.12560	13.8
209.11717	88.6
227.12825	54.4
256.59067	10.4
293.75955	10.7
339.09644	17.9
361.42538	13.1
389.06396	10.2
389.13483	21.2
389.23596	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2527
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
51.63968	1.2
53.03929	5.8
55.01867	8.4
55.05510	22.6
57.03422	4.1
57.07065	2.2
58.82175	1.3
63.88670	1.3
65.03922	3.3
67.05499	38.0
69.03441	8.3
69.07061	18.8
70.42370	5.3
71.01334	1.5
71.04979	5.7
79.05061	2.5
79.05488	34.7
81.02975	2.4
81.03413	25.7
81.06582	2.4
81.07053	42.6
83.04967	9.0
83.08614	9.2
85.02895	6.3
85.06554	2.3
91.05479	45.5
93.07039	34.6
95.01302	2.0
95.04974	17.2
95.08602	28.9
97.02895	7.5
97.06506	3.9
97.10145	2.8
99.04473	3.6
103.05443	1.9
103.41798	1.5
105.07024	43.1
107.04937	10.5
107.08594	22.1
109.02899	3.5
109.06499	6.2
109.10151	11.1
111.04453	8.3
111.08067	2.7
115.05440	6.6
117.07016	31.4
119.04967	3.1
119.08573	30.0
121.06520	7.7
121.10128	14.6
123.04430	12.7
123.08033	3.6
123.11664	2.6
125.05991	1.5
125.09538	2.9
128.06204	11.1
129.06992	25.7
130.07776	2.0
131.04901	2.5
131.08559	45.4
132.09178	1.3
133.06474	9.7
133.10114	20.4
135.04420	1.6
135.08052	5.2
135.11710	6.7
137.05992	4.6
137.09607	2.1
141.07010	8.9
142.07753	6.3
143.08549	23.2
144.05624	1.7
144.09406	1.5
145.06488	12.1
145.10117	26.5
146.79047	1.4
147.04405	1.9
147.08023	7.3
147.11661	12.5
149.05977	4.3
149.09601	4.4
149.13237	4.4
153.07001	5.1
155.08563	12.8
156.09299	3.3
157.06520	7.9
157.10127	24.5
159.08052	10.4
159.11696	21.8
161.05946	5.5
161.09599	7.2
161.13225	6.4
163.07445	3.6
163.11122	2.6
163.14827	2.7
165.06963	4.3
167.08588	5.9
168.09296	2.3
169.06410	1.8
169.10098	15.0
170.07237	2.8
171.08006	10.1
171.11670	14.8
173.06062	2.4
173.09624	6.9
173.13240	10.4
175.07506	7.8
175.11192	5.2
175.14760	1.9
177.09081	2.0
179.08488	2.7
181.10120	7.5
182.10960	1.8
183.08070	5.1
183.11676	11.3
184.08858	2.1
185.09564	9.9
185.13228	11.5
187.07524	4.1
187.11093	8.5
187.14793	5.7
189.09059	3.0
189.12740	3.5
191.10672	2.5
193.10190	2.1
195.11694	5.7
197.09601	6.1
197.13307	7.4
198.10339	1.8
199.11172	6.2
199.14787	6.9
201.09088	2.3
201.12675	6.8
201.16368	1.7
203.10667	4.4
203.14282	2.7
205.12166	2.4
207.11713	2.2
209.13304	4.4
211.11148	2.4
211.14790	3.4
213.12730	7.4
213.16406	3.5
215.14368	3.8
217.12195	3.6
221.13219	2.5
223.14847	3.0
225.12717	4.1
225.16397	2.4
225.69005	1.6
226.05591	1.4
227.14334	4.6
229.12201	2.0
229.15825	1.8
231.13762	2.2
235.14815	2.2
235.16939	1.7
237.16556	1.8
239.14229	2.9
243.13785	3.0
259.20648	2.7
267.17535	1.6
271.20499	2.2
277.14407	1.5
277.21707	4.2
283.20569	2.7
285.22052	1.6
287.20193	1.7
289.21646	4.2
297.22079	3.0
299.23599	3.3
301.21692	3.6
303.23077	2.7
309.21994	3.5
313.21643	3.2
315.23218	3.0
317.24573	1.7
323.23648	4.5
325.21661	1.9
327.19724	2.8
327.23077	8.8
333.22144	3.2
341.24738	14.6
343.22626	3.5
345.24026	1.9
351.23196	20.7
359.25778	3.2
369.24240	83.2
370.24356	2.5
387.25281	100.0
388.25632	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	387.2529
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03934	6.2
55.01881	9.9
55.05510	21.1
57.03424	2.0
57.07084	2.6
62.17652	1.9
63.01579	2.0
65.03930	2.0
67.05505	39.9
69.03424	25.0
69.07069	22.4
71.04972	7.2
77.17619	2.3
79.05080	2.8
79.05498	37.2
81.03421	20.5
81.06586	2.5
81.07053	35.5
83.04977	8.7
83.08618	8.8
85.02888	3.5
85.06538	3.5
91.05480	37.7
93.07047	34.7
93.07623	2.7
95.04974	14.8
95.08607	32.9
97.02888	20.4
97.06541	3.8
97.10149	5.0
104.94957	2.0
105.07032	43.2
107.04965	9.7
107.08587	22.4
109.02848	3.6
109.06512	6.3
109.10155	11.5
111.04423	7.8
115.05447	7.6
117.06996	28.1
119.08582	26.8
121.06513	9.5
121.10147	13.3
123.04411	8.9
123.08035	5.9
123.11723	3.6
125.09620	3.0
128.06241	8.1
129.07002	24.9
130.07825	2.5
130.40041	2.1
131.04919	3.8
131.08559	32.5
133.06493	7.8
133.10130	20.0
135.04414	1.8
135.08064	4.6
135.11716	7.9
137.05992	4.7
138.11496	2.2
139.11186	2.8
141.06964	8.6
142.07768	7.9
143.08551	26.1
145.06532	9.9
145.10124	27.3
147.08041	8.9
147.11682	11.1
149.05975	3.1
149.09593	4.1
151.07526	6.6
152.06293	2.4
153.06932	3.8
154.07776	2.4
155.08540	17.1
156.09348	2.4
157.06499	6.5
157.10089	14.2
158.07292	2.6
159.08047	6.4
159.11700	22.9
161.05971	3.2
161.09596	8.8
161.13275	6.7
163.07594	4.9
163.11176	2.9
165.06956	2.4
167.08577	6.4
168.09189	2.7
169.06500	5.1
169.10150	11.2
171.08080	6.7
171.11682	16.5
173.09592	8.8
173.13289	10.0
175.07539	4.9
175.11185	7.0
175.14853	2.9
177.09055	2.9
181.10115	3.8
183.08022	6.3
183.11705	9.2
185.09593	6.8
185.13275	12.7
187.07466	4.4
187.11182	6.8
187.14781	5.4
189.09230	4.1
189.12749	3.3
193.10106	2.6
195.11684	4.7
197.09561	2.9
197.13260	8.4
199.11197	6.3
199.14822	8.2
201.12700	7.2
203.10585	3.0
203.14288	2.9
207.11681	3.1
209.13252	4.7
211.11273	4.6
211.14810	4.8
213.12772	6.7
213.16428	4.1
215.14340	5.3
219.13815	2.3
223.14943	4.2
225.12938	3.1
227.14259	3.0
229.12273	3.6
239.14391	2.6
241.15869	2.6
243.13800	3.1
271.16953	2.5
271.20630	2.4
277.21628	4.3
283.20483	3.5
289.21622	3.6
297.21988	3.0
299.20120	4.8
301.21539	3.2
313.21722	4.4
315.23242	4.9
323.23669	3.6
327.23303	9.4
341.24820	20.6
351.23102	17.0
359.25916	3.1
369.24234	74.8
370.24802	3.8
387.25278	100.0
388.25681	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	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03934	0.9
53.61110	0.4
55.01863	1.0
56.54856	0.4
57.03416	1.3
57.07085	0.6
59.05000	0.4
59.19494	0.4
59.27561	0.4
59.56094	0.4
61.02906	1.2
65.03934	1.3
66.04710	0.5
67.05495	1.9
69.03425	4.6
69.07079	0.8
69.99195	2.0
71.04995	1.0
73.02900	0.8
79.05486	2.2
81.03424	2.1
81.07047	1.7
82.04181	0.9
83.04956	0.6
83.39965	0.5
85.02901	14.4
86.09709	0.5
87.04466	0.9
91.03932	1.1
91.05473	2.2
93.03435	0.5
93.07042	1.0
94.04170	3.4
95.04960	6.2
95.08603	1.3
97.02892	5.5
97.06520	1.0
99.04443	1.6
103.05460	1.1
105.07079	2.0
107.04939	1.4
107.08574	1.2
107.09832	0.4
109.02880	1.8
109.06524	1.7
109.10111	0.7
111.04411	0.5
115.05426	2.1
117.07021	1.9
119.08570	1.1
121.06515	0.8
121.10132	1.0
122.03648	8.6
122.07333	0.4
123.04453	1.2
123.08049	8.6
125.05988	1.8
127.03928	3.5
131.04893	0.6
133.06442	0.9
133.10120	1.1
135.11626	0.6
137.05971	100.0
137.09525	1.1
138.06296	2.7
139.03876	0.5
143.04889	3.1
145.04958	4.2
145.06467	3.1
145.10117	0.9
147.08083	1.0
147.11684	0.8
149.09619	0.7
151.03903	3.7
151.07535	15.1
153.09123	1.5
155.05989	0.6
160.05176	0.4
161.09613	0.8
163.11168	8.7
165.09103	0.9
167.07025	11.4
171.06476	0.7
171.11684	0.7
173.05972	3.1
175.07576	0.9
181.04945	14.4
181.12207	5.1
182.12550	0.6
189.12787	3.0
191.06990	1.4
203.07043	2.0
205.08575	2.1
207.10390	0.5
207.13800	9.3
209.15280	0.6
218.05548	0.6
221.08026	0.5
225.14899	1.5
233.08118	2.0
235.09607	1.8
357.13309	9.8
358.13702	0.9
387.14359	18.4
387.20016	5.5
388.14673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.79195	12.5
70.93414	32.6
81.07056	25.4
85.02898	20.8
91.05448	16.9
93.07013	28.9
105.07022	34.3
107.08593	97.6
109.06521	31.2
119.08577	26.2
121.06510	26.1
121.10170	35.7
131.08499	18.1
137.09602	57.8
147.11693	46.6
149.09595	52.9
159.11530	14.7
161.13240	39.7
167.10663	100.0
177.12778	35.9
189.12741	81.8
207.13838	76.9
225.14859	67.5
317.29886	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	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05527	10.8
61.02905	18.8
67.05502	17.7
69.03421	36.0
69.59351	97.7
70.06580	35.2
72.08149	28.0
73.02905	11.2
79.05444	11.9
81.03407	27.0
83.04983	17.6
84.09219	11.8
85.02895	92.1
86.09706	70.2
91.05457	19.0
95.08566	19.5
97.02913	30.2
105.07030	21.2
107.08556	35.6
109.02898	15.9
110.07150	26.3
111.07447	15.1
117.55999	13.5
119.08585	21.0
121.10199	15.8
123.08056	44.3
127.03923	15.7
129.10139	13.0
133.10062	13.0
137.05965	41.8
137.09592	14.8
145.05005	25.9
149.09723	15.7
151.07571	74.0
153.05482	16.7
163.11195	53.3
167.07024	15.2
181.12186	25.2
189.12753	43.3
190.44402	11.9
207.13843	100.0
225.14835	50.9
241.08304	14.0
319.72430	13.5
387.14154	14.3
387.23260	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	387.201
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03946	3.8
55.05504	6.2
57.03437	10.8
58.74481	2.9
61.02932	4.5
67.05495	8.2
69.03413	17.4
69.07059	5.6
70.06583	19.6
71.15377	3.8
71.15698	7.5
72.08159	6.7
73.02916	5.2
79.05499	12.3
81.03419	6.1
81.07049	13.9
83.04967	4.8
84.04477	5.6
84.08134	3.7
85.02896	37.3
85.06548	5.4
86.09708	8.2
87.05628	4.1
91.05485	10.6
93.07033	17.9
94.06561	7.9
95.04969	15.8
95.08593	4.8
97.02897	12.2
97.06497	5.4
99.04443	5.8
105.07018	29.1
107.04967	4.8
107.08585	41.7
108.08133	4.9
109.02876	5.7
109.06516	11.8
109.10172	5.9
116.07096	9.2
119.08552	21.5
120.08021	5.0
121.06501	19.3
121.10124	20.5
122.06021	15.0
123.04411	4.1
123.08025	7.2
127.03950	5.0
131.08534	8.3
133.06154	3.7
133.10153	10.7
135.08073	6.8
137.06006	4.6
137.09602	20.1
139.07361	3.8
145.04936	4.5
145.10100	7.4
147.08031	9.1
147.11674	26.6
149.09599	22.8
149.13249	17.1
151.42050	3.5
153.10175	4.0
159.11691	10.2
161.13210	24.3
163.07527	4.8
163.11137	17.4
165.12735	6.8
167.10660	30.6
171.11656	7.1
173.05937	4.1
177.05421	5.7
177.12729	50.8
181.12292	5.8
189.12718	44.7
191.07022	6.1
207.13779	88.2
212.11481	5.3
225.14835	100.0
236.10747	4.0
237.07475	17.7
238.12337	4.5
241.19962	3.7
253.13390	13.2
255.08589	4.5
265.19196	4.4
282.11172	9.5
299.13788	11.2
341.14908	12.6
343.13669	28.2
369.11591	4.7
387.12195	47.6
387.16226	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	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.14869	0.3
65.03936	2.2
66.04699	0.7
67.05485	1.1
70.39178	0.3
70.82702	0.7
70.83064	0.4
79.05461	1.5
81.03391	0.5
81.07024	0.8
82.04189	0.5
84.59499	0.4
85.02890	1.4
91.05492	1.6
93.03400	0.6
94.04181	3.8
95.04948	1.3
97.06518	0.6
103.05463	3.4
105.03371	0.6
105.07024	1.0
106.04202	0.5
107.04938	1.4
108.02071	0.5
109.06481	0.7
110.03654	0.8
111.04446	1.0
115.04793	0.3
115.05460	2.3
117.07005	2.2
118.04120	0.8
119.04950	0.3
122.03642	10.7
123.04424	0.8
125.06024	0.4
129.06972	0.4
130.04082	0.5
131.04921	3.4
133.02838	0.5
133.06483	1.2
135.04369	0.4
137.05966	100.0
138.03133	0.4
138.06319	1.3
141.05386	0.4
142.02579	0.8
143.04922	3.0
145.06473	2.4
146.03616	0.5
147.08015	0.4
148.05186	1.5
149.05940	1.1
151.03912	8.1
151.05020	0.6
153.05453	0.5
155.06013	0.7
157.06499	0.4
160.05179	0.6
161.05989	1.0
163.07555	2.8
165.05447	0.5
167.07037	10.3
171.04375	0.6
171.06548	1.9
173.05957	2.7
175.07533	1.0
176.04739	0.4
177.05447	1.0
179.06972	0.5
181.04942	29.1
187.07474	0.5
191.07018	8.6
203.06978	1.5
205.08618	1.7
207.06445	0.4
219.08076	0.3
221.08063	0.4
223.07584	0.4
223.47112	0.4
233.08066	1.5
235.07576	0.5
235.09555	1.7
309.10977	0.5
319.09341	0.4
351.12140	1.4
355.11783	0.4
357.13287	9.7
369.13071	0.9
387.14377	16.2
388.14850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	0.9
55.36915	0.4
65.03924	2.0
67.05485	1.1
69.03407	0.4
69.77307	0.4
79.05479	1.3
81.03411	0.4
81.07047	0.9
82.04185	0.4
85.02895	0.7
87.63567	0.4
91.05470	1.0
94.04173	4.1
95.04945	1.2
97.06528	0.9
103.05458	3.4
107.04934	1.3
108.02036	0.5
109.06478	0.7
110.03653	0.7
115.05453	2.4
117.06993	1.3
118.04142	0.9
122.03637	9.5
122.28769	0.5
123.04442	0.4
125.05973	0.7
130.04144	0.5
131.04926	2.9
133.02838	0.5
133.06476	0.5
137.05963	100.0
138.06291	0.8
141.05370	0.5
142.02591	0.7
143.04933	3.4
145.06482	3.1
146.03607	0.4
147.08052	0.4
148.05171	1.5
149.05806	0.5
151.03905	10.6
151.05049	1.2
153.05499	0.5
155.06020	0.7
163.07532	4.2
165.05461	0.7
167.07033	10.8
171.06528	1.5
173.05949	3.0
175.07523	1.0
176.04736	0.5
181.04941	27.5
182.05148	0.5
187.07489	0.4
191.07011	11.1
203.06990	2.5
205.08542	2.0
213.11258	0.4
229.56465	0.5
231.35265	0.4
233.08087	1.7
235.09526	2.0
309.11115	0.5
314.11374	0.4
327.12173	0.5
337.10770	0.4
351.12164	1.2
355.11792	0.5
357.13297	11.0
357.17603	0.8
369.13364	0.6
387.14371	19.7
388.14642	0.5
391.39380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02377	0.3
53.03947	0.3
55.01863	0.6
59.11148	0.2
65.03934	1.1
66.04720	0.4
67.05490	0.6
69.03418	0.8
69.46740	0.4
69.47137	1.9
74.84390	0.2
79.05492	1.2
81.03399	0.3
81.07034	0.9
85.02923	1.1
86.09713	0.3
90.53271	0.2
91.05470	1.0
93.03424	0.2
93.07024	0.3
94.04179	3.4
95.04958	0.8
95.08595	0.3
95.14615	0.2
97.02882	0.4
97.06563	0.4
103.05437	0.4
105.07023	0.4
107.04932	1.0
108.02092	0.2
109.06489	0.5
109.10168	0.4
110.03677	0.4
111.04407	0.4
115.05442	1.7
117.07023	2.3
119.08566	0.3
121.06569	0.3
122.03644	9.6
123.04440	0.5
123.08051	0.4
124.05220	0.3
125.06000	0.5
127.03899	0.3
131.04890	0.3
135.04414	0.8
137.05971	100.0
138.03085	0.4
138.06268	1.2
139.03909	2.5
143.04930	2.2
145.06480	2.2
147.08006	0.5
147.11664	0.3
149.09610	0.4
151.03888	6.1
151.07561	0.3
153.05447	0.4
155.06023	0.6
157.06305	0.2
161.09590	0.2
163.03894	1.5
163.11224	0.3
167.07034	9.8
171.04456	0.2
171.06508	1.0
173.05975	2.9
175.07545	0.9
177.05429	0.6
181.04944	13.0
189.12718	0.5
203.07054	1.4
205.08575	1.8
207.13835	1.3
219.10159	2.4
221.08121	0.5
233.08067	1.3
235.07481	0.4
235.09605	2.3
319.08276	0.2
357.13300	11.8
369.13144	0.3
387.14386	20.8
388.14752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01875	3.6
55.05524	4.8
56.05031	4.9
57.03445	4.2
59.46477	1.9
63.23204	1.9
67.05502	4.3
68.05031	3.4
69.03427	83.6
70.02958	6.6
70.06590	10.0
71.04973	3.2
71.20206	4.2
72.08161	2.7
74.02444	10.0
79.05498	13.9
80.05039	3.0
81.03432	12.5
81.05810	3.8
81.07053	22.1
82.06581	4.8
83.04977	9.1
85.02905	49.0
87.05594	42.6
88.03998	4.5
88.75812	1.8
91.05496	8.9
93.07034	4.1
94.06574	23.1
95.01328	62.6
95.04960	10.1
96.04527	5.4
96.08115	26.0
97.02904	8.5
97.06549	4.2
97.08897	5.0
99.04489	11.0
100.03983	10.2
101.31456	1.9
107.04965	4.6
108.08150	7.9
109.06514	20.9
110.09670	2.0
111.04450	4.2
111.08068	2.7
113.07141	4.6
114.05524	9.6
114.07898	4.1
117.05511	3.3
119.04942	2.4
121.06503	3.4
122.06012	3.7
122.09660	4.0
125.05978	5.1
133.06084	100.0
136.07571	5.0
137.05975	89.3
138.05592	2.4
139.07547	59.5
139.08598	4.0
141.05463	5.3
142.04994	12.2
143.08182	3.6
149.05974	4.7
150.09140	2.5
151.09955	2.2
152.07098	3.2
153.10214	35.0
154.08673	3.2
155.07024	6.2
159.07649	35.2
167.07042	69.8
167.11804	5.0
168.12590	8.7
180.06496	2.7
181.04933	3.5
183.06499	4.2
193.08598	31.5
195.08983	3.2
197.09236	4.2
209.08151	2.8
212.11540	65.7
213.12355	10.0
227.09137	60.5
229.07108	20.1
237.07539	16.9
255.08620	46.1
272.11346	10.6
369.12625	3.2
369.16940	2.9
387.13922	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	76.3
55.51363	3.6
55.89721	3.5
57.03436	28.1
57.07076	63.3
59.07762	3.3
62.33231	3.4
65.70150	3.8
67.05501	26.3
69.07067	96.3
71.04990	5.8
71.08629	36.5
71.58125	5.2
79.05490	19.1
81.07050	38.6
83.04987	5.6
83.08612	66.8
85.06532	4.2
85.10170	21.8
93.07032	19.8
95.08596	45.7
97.06516	18.2
97.10166	51.5
105.06923	4.1
107.08597	14.2
109.10128	20.8
111.08089	10.2
111.11727	13.1
115.07582	4.3
121.10143	21.0
123.11714	8.6
125.09614	9.2
125.13296	4.6
131.44014	3.6
135.11679	17.9
139.11162	9.4
149.13249	12.7
153.12762	8.5
163.14795	8.9
167.14360	7.9
177.16362	7.4
205.19475	4.6
209.19000	4.5
219.21065	4.2
271.33459	4.5
275.27286	10.3
280.25272	4.2
293.28281	17.5
305.46875	4.3
367.32092	18.0
385.29184	8.1
385.33182	100.0
386.33261	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	385.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04319	2.9
53.03936	9.3
55.01868	17.9
55.05507	88.8
57.03433	37.2
57.07066	5.2
67.01857	3.9
67.05497	77.1
67.33686	2.7
69.03436	15.4
69.07065	35.6
70.06589	21.4
70.14732	16.6
71.04977	13.0
71.08633	29.0
79.05489	62.8
81.03407	95.2
81.07048	78.1
83.04982	31.1
83.08611	65.5
85.02895	65.4
85.06547	4.2
86.09708	5.1
90.32700	3.5
91.05471	61.3
93.07040	59.6
95.04959	73.9
95.08594	31.6
97.02879	6.2
97.06516	14.7
97.10154	34.1
98.20848	3.1
99.04462	5.2
99.08096	24.1
103.05444	6.3
105.07015	43.0
106.78439	3.7
107.04945	20.4
107.08591	36.2
109.06524	13.1
109.10131	19.2
111.04449	16.5
111.08068	27.3
113.06014	3.1
115.05448	3.8
117.06999	14.1
119.04948	3.3
119.08580	38.3
120.08092	47.5
121.06499	6.6
121.10120	21.4
123.04482	3.8
123.08043	6.9
123.11685	4.4
125.09616	31.5
125.10448	4.6
125.21319	3.1
129.06996	16.4
129.59961	3.0
131.08588	17.7
133.10110	21.5
135.08038	7.3
135.11679	11.1
137.09616	4.8
142.07782	4.5
143.08566	5.3
145.10110	12.0
147.08012	4.5
147.11682	25.1
149.02341	12.4
149.09648	16.3
149.13173	4.0
153.01802	16.9
153.09065	8.2
153.12689	6.9
157.10118	21.5
159.11646	8.3
163.11122	21.5
165.12781	8.8
167.10805	3.9
171.02859	7.5
173.09492	3.9
175.11176	20.6
176.61049	3.7
177.12741	5.4
179.03387	4.4
181.12279	6.6
189.11188	28.9
189.12685	4.5
191.10583	6.1
193.04846	6.0
193.12222	98.8
195.13771	3.7
207.44934	3.3
209.13123	2.9
211.13264	79.9
223.13237	7.7
227.12645	4.0
229.19632	3.5
239.92450	3.1
257.19208	4.2
267.16052	5.1
270.31570	3.0
275.20050	24.6
278.63187	3.2
285.16943	15.3
293.21085	100.0
293.24283	5.6
294.21390	4.7
303.12332	3.1
385.08997	8.0
385.25894	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50962	3.5
53.03946	7.4
55.01872	23.4
55.05508	94.6
56.96551	6.9
57.03431	26.0
57.07083	4.6
59.04985	5.9
64.17581	3.4
67.05500	100.0
69.03418	11.4
69.07066	35.8
69.94245	19.8
70.06570	6.2
71.04971	9.7
71.08626	36.6
79.05492	56.0
81.03405	17.8
81.07048	68.7
83.04973	32.6
83.08617	43.5
85.02895	7.5
85.06527	5.0
91.05466	43.6
93.07040	49.6
95.04964	36.3
95.08599	33.8
97.06499	17.6
97.10163	55.4
99.04453	5.2
99.08083	22.8
103.05461	5.1
105.07027	32.3
107.04954	17.9
107.08592	35.3
109.06479	8.8
109.10146	42.3
111.04421	16.5
111.08068	13.4
115.05430	4.0
115.49154	3.3
117.07000	15.8
118.51160	3.2
119.08588	22.9
120.08129	8.3
121.06480	6.8
121.10153	19.4
123.08012	10.4
125.06042	3.7
125.09615	50.9
129.06990	7.7
131.04944	4.6
131.08542	15.5
133.10089	11.5
135.08009	12.0
135.11676	15.6
137.09534	5.0
139.11166	12.7
143.08586	8.6
145.10129	21.8
147.11661	10.9
149.02304	9.0
149.09663	18.0
151.11227	8.3
153.01833	11.0
153.09111	9.9
153.12691	5.8
155.10677	4.0
157.10176	7.5
159.11678	7.1
163.11182	32.9
165.12726	7.5
167.08572	4.8
167.10655	5.1
171.02831	7.6
171.10201	5.1
173.11723	16.0
173.13040	4.4
175.11165	5.6
177.12715	5.8
181.06335	3.4
181.12221	10.2
189.11192	43.6
191.10617	6.4
193.04964	6.7
193.12222	11.6
195.13774	9.3
215.14217	6.2
223.13295	16.3
227.12762	14.0
229.14307	13.7
229.19531	4.8
237.02774	3.7
257.18826	4.4
275.20020	31.9
293.17831	4.8
293.21106	80.3
315.17740	3.5
328.49554	3.9
343.14337	4.9
367.24854	5.4
385.08649	5.9
385.12903	7.0
385.25571	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	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81029	3.1
51.08705	3.2
55.05495	9.5
57.03424	3.6
57.07066	8.9
59.04989	5.9
67.05486	19.7
69.03423	8.9
69.07047	8.2
70.12571	11.4
70.12984	6.9
71.04992	9.3
79.05479	16.1
81.07063	21.5
83.04961	6.7
83.08598	9.3
84.08144	81.0
85.06513	5.7
85.68653	3.6
89.22691	3.5
91.05462	30.3
92.96772	3.3
93.07027	27.0
95.04971	12.8
95.08591	24.2
97.06519	6.2
99.04465	7.5
105.07018	47.7
107.08588	40.5
108.05736	4.3
109.06486	17.7
109.10166	5.4
111.04453	6.4
111.08064	14.3
116.01454	3.2
116.06181	3.3
117.07009	15.0
119.08576	48.3
121.06496	13.8
121.10098	18.2
123.08057	43.4
125.09554	3.9
128.06219	5.8
129.06999	11.2
130.07776	10.4
130.08643	6.3
131.08551	31.9
133.06467	6.4
133.10121	19.0
135.08034	14.6
135.11691	39.4
137.05994	29.8
137.09642	6.4
143.08530	12.6
144.09341	8.6
145.06468	7.0
145.10107	43.5
147.08049	19.7
147.11571	6.3
149.09599	15.0
151.07542	100.0
153.09048	5.4
156.09283	3.9
157.10086	8.0
159.08067	26.1
159.11691	43.2
161.09590	11.7
162.10353	8.6
163.07471	3.5
163.11174	34.7
165.09113	11.7
168.72499	3.5
169.10085	8.9
171.11620	8.2
172.08850	6.1
177.09146	18.2
177.12706	38.1
185.09464	4.4
187.11200	31.0
189.12762	18.1
191.14372	4.7
193.04948	4.2
197.09601	4.2
197.13155	4.5
199.11139	8.9
201.12633	3.7
203.14224	6.6
205.12219	68.1
207.11838	4.1
207.13863	10.1
209.15327	5.8
221.15332	8.2
233.15514	5.4
239.36644	3.7
274.19196	4.1
286.19293	22.6
322.31021	7.6
367.22546	10.5
385.23758	95.5
385.28973	5.5
385.34235	9.9
386.23907	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	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.5
55.05504	12.1
57.03425	5.0
57.07066	10.1
59.72429	4.6
67.05496	16.3
69.03416	9.5
69.07059	7.5
70.83450	11.2
71.05001	4.9
75.00287	3.9
79.05475	20.2
81.07033	22.3
83.04946	4.8
83.08611	13.9
84.16473	4.4
85.06527	5.3
85.32582	4.4
87.04438	4.6
91.05471	26.1
93.07032	35.3
95.04946	17.1
95.08611	27.2
97.06514	17.2
99.04398	5.7
105.06493	4.3
105.07034	48.7
107.08597	52.0
109.06509	18.1
109.10202	5.0
111.08083	25.9
117.07023	18.5
119.08587	53.1
119.52105	4.3
121.06477	12.8
121.10129	14.6
123.08082	41.7
125.09621	7.8
128.06204	10.8
129.07016	8.2
130.07861	7.5
130.64984	4.0
131.08568	52.2
133.06458	6.7
133.10114	18.1
135.08055	19.5
135.11710	35.3
135.74770	4.2
137.05986	29.2
137.09592	4.8
141.06999	6.1
142.07758	5.6
143.08546	13.6
144.09300	12.1
145.06487	12.0
145.10104	52.5
147.08025	18.9
147.11678	7.7
149.09604	23.4
151.07539	100.0
153.09093	10.4
155.08507	6.9
155.10585	5.0
156.09323	9.6
157.10104	15.6
159.08073	29.2
159.11691	49.7
160.08713	5.3
161.09607	14.6
162.10408	6.3
163.11205	37.7
165.09108	13.3
166.07716	4.4
169.10132	14.2
171.11761	14.7
173.13268	6.2
177.09090	23.8
177.12726	39.5
181.12212	5.5
183.11661	10.4
187.11165	35.9
189.12738	22.4
197.13263	4.9
198.13988	5.2
199.11179	7.0
203.14319	6.1
205.12230	64.3
207.13792	16.5
209.15286	6.5
211.11362	5.3
211.14668	5.9
213.12497	4.6
217.12296	7.2
221.15411	15.2
223.14772	7.0
233.15424	7.0
281.28363	4.5
286.19287	23.7
307.77094	4.5
325.21539	5.9
367.22577	14.1
385.23746	94.8
386.24048	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	384.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05499	2.0
56.05022	1.7
57.03431	0.9
59.55539	0.4
67.05499	2.7
68.05003	1.4
69.03419	0.8
69.07052	1.0
69.92680	3.1
70.06570	1.7
72.08153	1.1
79.05485	2.3
80.05006	2.2
81.03407	2.2
81.04530	2.3
81.07041	2.3
82.05312	1.5
83.04991	0.8
83.06098	12.9
83.08607	1.1
84.08148	1.0
85.02898	2.4
86.09678	0.8
91.05473	2.6
93.04518	6.3
93.07025	1.4
94.06543	0.6
94.65660	0.5
95.04984	1.0
95.06087	16.8
95.08550	0.5
97.06477	0.8
98.21591	0.6
105.04499	0.6
105.07037	1.5
106.06539	0.6
107.06069	7.8
107.08548	0.8
109.06424	1.8
109.07620	0.8
110.07159	56.1
111.05555	2.7
111.07481	0.6
112.08716	1.9
113.07107	1.6
119.06030	1.1
119.08553	1.0
120.05557	1.3
121.07614	3.0
121.10117	1.2
122.07141	1.4
123.09180	1.3
131.06047	3.2
132.06798	0.8
133.07622	4.5
134.07143	1.3
135.07930	0.9
135.09195	0.7
136.08688	0.7
145.07600	0.6
147.04315	0.9
147.11743	0.6
148.07587	0.6
148.08673	1.7
149.09496	0.8
150.10272	1.4
156.07680	6.1
157.10136	0.6
159.09163	0.7
166.08517	0.7
175.11099	0.7
193.12315	0.6
247.17953	0.6
257.16470	1.4
275.17477	4.6
284.17633	1.5
285.15900	1.8
292.20142	0.8
293.18555	15.9
302.18539	3.0
303.16980	0.7
311.19382	0.7
320.19693	8.3
321.18069	0.8
323.19571	1.5
338.20715	32.7
339.18900	1.2
340.22430	1.0
366.20236	7.1
384.21268	100.0
385.14648	1.7
385.21429	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	384.1875
Annotation	9-(alpha-D-glucosyl)dihydrozeatin
Peak:m/z	Relative Intensity
53.03934	0.8
54.65337	0.4
55.01862	0.8
55.05506	0.5
56.61300	0.4
56.96549	0.6
57.03417	1.1
57.68509	0.3
61.02923	2.3
64.86107	0.4
69.03429	7.5
69.06712	0.6
69.07062	6.1
69.52811	2.8
69.53214	0.8
70.06570	1.0
71.04995	0.4
73.02905	1.9
81.03406	1.8
83.08594	1.0
85.02901	10.0
87.04452	1.6
87.08112	0.5
87.61312	0.4
91.05499	0.6
93.07083	0.4
97.02888	4.6
99.04446	1.0
109.02864	1.4
110.07156	1.5
119.03567	0.9
119.04888	0.8
121.06467	0.5
127.03927	2.0
128.77309	0.4
136.06180	34.4
137.04507	1.2
145.04979	0.5
147.04414	0.8
148.06172	18.4
155.05623	1.5
166.07310	0.5
204.12428	6.3
205.08922	1.0
222.13484	100.0
223.13863	2.7
224.13782	0.4
233.03075	0.5
237.02811	0.5
238.05316	0.6
264.14624	0.5
384.13956	0.8
384.18716	22.7
385.18961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01871	1.9
57.03429	2.5
63.60082	1.0
69.03431	2.2
70.06587	1.9
71.56711	1.6
73.02898	1.1
84.08130	0.9
85.02900	2.5
97.02887	1.0
110.07112	1.5
111.54237	0.9
114.92178	0.9
121.05099	1.8
135.06667	1.8
136.06192	17.4
136.07274	1.6
136.07634	1.4
137.04596	1.4
141.04453	1.0
147.04388	1.3
148.06142	6.4
151.03897	2.4
155.05528	1.1
160.06207	1.0
162.07747	39.5
188.05659	14.0
192.05151	20.9
194.04451	1.1
206.06734	7.1
234.06226	11.4
252.07277	100.0
253.07530	1.8
309.79962	1.1
337.92999	0.9
384.11447	20.0
387.01822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	49.2
56.66954	1.2
56.96559	1.5
57.03433	3.5
58.99588	1.5
60.92794	1.1
61.02917	3.0
69.03428	6.6
70.06583	3.8
71.56921	2.2
72.08131	2.2
81.03407	3.9
81.07059	2.8
83.06112	4.4
83.08617	100.0
84.08138	2.8
85.02908	19.6
85.03378	2.2
86.09708	3.5
86.99043	4.7
87.04491	1.9
91.05471	2.9
93.07021	2.0
93.84536	1.3
95.06090	3.9
97.02904	6.0
97.06542	1.3
101.09663	19.5
105.00085	6.6
107.04988	1.4
109.02876	2.6
110.07162	28.5
110.07875	2.1
118.06559	6.4
119.04922	1.6
123.04436	1.2
127.03909	2.6
136.06168	1.3
136.07556	4.0
137.06006	1.5
145.05023	2.0
147.04393	3.0
156.07701	8.1
159.08278	1.6
195.72363	1.4
205.08929	63.7
222.11581	45.1
222.13681	3.2
237.39864	1.4
238.05255	3.0
294.09833	1.2
333.14850	1.5
338.20609	1.6
384.17236	1.6
384.21466	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03950	7.2
54.03991	1.9
55.05512	12.3
56.59397	2.4
57.07076	12.2
59.05000	4.6
65.03928	3.0
67.05505	31.5
69.03429	14.6
69.07059	8.4
69.98356	2.3
71.04984	6.2
79.05490	32.5
81.03406	3.5
81.07053	35.6
83.04979	6.0
83.08587	2.7
85.06544	5.9
91.05477	49.1
93.07038	100.0
95.04965	34.5
95.08606	45.9
97.06540	12.1
98.20764	6.9
99.35399	2.0
103.05507	4.4
105.07025	90.5
107.05021	2.2
107.08587	39.3
109.06521	25.2
109.10162	19.7
111.08070	7.5
115.05470	5.6
117.07003	11.9
119.08580	52.6
120.09354	3.6
121.06495	16.8
121.10139	42.1
123.08077	33.1
128.06232	8.2
129.07010	13.2
130.07800	6.9
131.08568	32.6
131.57481	2.2
133.06476	8.5
133.10135	33.6
135.08032	20.9
135.11716	5.1
137.09622	9.6
141.06990	4.7
142.07773	24.0
143.08559	27.8
145.06468	6.6
145.10123	40.6
145.11263	2.7
146.07327	3.1
147.08020	23.9
147.11656	15.5
148.08791	2.8
149.09642	23.7
150.10333	2.4
151.07535	42.3
151.08653	3.2
153.09128	2.5
154.07817	2.5
155.08553	9.4
156.09343	9.7
157.10124	38.2
159.08063	6.6
159.11711	15.1
160.08847	3.1
161.09601	21.1
161.13249	10.2
163.11147	10.8
165.09102	41.0
167.08582	3.3
169.10110	7.3
170.10880	6.6
171.11665	5.4
173.09628	10.6
173.13255	6.2
175.11169	21.5
175.14856	8.8
177.09117	15.8
182.10905	4.0
183.11649	6.6
185.13255	22.2
187.11171	5.8
187.14799	3.7
189.12733	8.5
191.14326	2.5
193.10059	2.3
195.11737	5.4
197.09648	3.4
197.13260	6.3
199.11145	4.0
201.12767	7.4
203.14304	28.4
207.13795	10.8
209.13269	4.2
209.15302	4.1
210.14075	2.7
211.14793	3.0
213.12857	3.3
213.16170	2.6
215.14317	6.5
216.15154	4.8
219.13855	4.3
221.15352	70.0
223.14777	4.2
225.12590	3.0
229.15578	3.2
231.13823	4.0
233.15341	5.5
234.14011	2.2
234.16068	12.9
239.17992	3.7
241.15886	2.9
243.13797	3.5
247.17027	2.8
271.16879	3.8
274.19321	3.3
285.18381	3.2
286.19232	8.7
287.20178	11.7
299.20270	3.1
299.84793	2.6
303.19583	7.2
309.18384	3.9
319.29800	3.0
365.24683	12.0
383.25757	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33259	2.3
53.03944	6.3
55.05511	15.4
57.03434	3.6
57.07072	12.8
59.04996	6.6
65.03935	5.0
66.00930	2.3
67.05503	41.2
68.38707	2.4
69.03429	14.9
69.07071	8.9
71.04983	5.8
79.05483	36.5
81.07059	36.6
83.04976	7.6
83.08613	8.3
85.06544	7.3
91.05472	47.1
93.07039	100.0
95.04964	31.0
95.08604	42.2
97.06516	18.9
103.17188	2.4
105.07025	87.1
107.04942	3.0
107.08590	42.1
109.06512	28.0
109.10152	30.0
111.08074	9.5
115.05424	4.4
117.07018	11.1
119.08575	59.4
120.09393	3.7
121.06493	17.4
121.10146	40.4
123.08066	31.0
128.06215	12.7
129.07002	13.2
130.07773	5.6
131.08557	31.2
133.06468	6.7
133.10130	34.2
135.08049	23.4
135.11688	7.0
137.05956	3.4
137.09615	10.2
141.06987	9.6
142.07753	21.1
143.08562	28.5
144.09337	6.2
145.06432	3.6
145.10129	36.7
146.07336	3.1
147.08035	26.7
147.11662	16.1
148.08771	3.0
149.09602	23.2
151.07556	33.2
153.09145	4.3
155.08531	9.0
156.09354	8.6
157.06317	2.5
157.10118	40.9
159.08035	7.2
159.11703	13.1
161.09613	23.1
161.13300	5.2
163.11214	8.0
165.09125	43.2
169.10139	4.8
170.10934	5.6
171.11703	7.9
172.08859	2.8
173.09644	11.0
173.11861	4.4
173.13252	9.4
175.11197	13.3
175.14796	7.7
177.09088	9.5
183.11699	6.7
185.09659	2.9
185.13271	17.3
187.11201	8.8
187.14795	3.0
189.12801	10.0
191.14273	3.7
193.10208	5.0
195.11696	4.3
197.09784	2.5
197.13295	10.4
199.11201	3.8
199.14656	3.2
201.12804	7.5
203.14320	33.2
207.11893	4.1
207.13829	9.0
209.13350	5.1
209.15352	5.7
211.11217	3.7
211.14903	4.1
213.12642	2.6
215.14359	7.1
220.67500	3.0
221.15356	77.0
222.15718	3.8
225.12691	3.8
225.16310	3.2
227.14420	3.8
229.58353	3.7
231.13788	4.7
233.15390	8.4
234.16087	8.1
237.14803	4.2
243.13826	3.9
286.19299	8.3
287.20126	9.8
299.20041	7.8
303.19522	10.5
307.20547	3.2
326.11502	2.7
365.24673	11.8
383.20377	30.6
383.25760	49.1
384.25949	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67589	2.6
52.74149	2.8
53.03938	5.2
55.01852	2.9
55.05504	14.0
57.07055	10.7
59.04985	6.9
60.33651	2.5
64.43042	2.6
67.05505	32.2
68.25527	3.0
69.03420	16.6
69.07051	12.6
69.77605	3.2
70.10085	12.5
70.10439	5.4
71.04998	5.7
79.05487	33.4
81.07062	37.0
83.04957	7.7
83.08589	4.5
85.06552	4.0
91.05473	62.2
93.07043	100.0
95.04957	31.0
95.08601	41.8
97.06510	11.0
98.20812	3.3
103.05436	4.3
105.07026	71.4
107.04933	4.2
107.08590	40.7
109.06505	22.5
109.10158	21.9
111.08079	8.7
112.56825	2.6
115.05406	3.4
117.06991	12.6
119.08580	50.6
120.31946	2.6
121.06511	15.5
121.10139	44.4
123.08056	32.1
128.06207	10.7
129.06979	9.1
130.07826	5.4
131.08565	33.7
133.06490	11.3
133.10123	26.6
135.08047	23.9
135.11667	3.7
137.09627	15.2
141.07008	8.2
142.07748	19.2
143.08562	19.7
144.09297	4.9
145.10121	38.4
147.08060	27.5
147.11688	15.8
148.08784	3.7
149.09599	26.5
151.07529	45.1
153.09109	3.3
155.08577	7.2
156.09381	5.6
157.10115	39.9
159.08046	7.9
159.11679	17.5
160.08810	5.8
160.50000	3.2
161.09604	17.3
161.13249	7.7
163.11165	6.3
165.09120	49.6
169.10086	5.0
170.10893	5.4
171.11673	7.9
173.09636	7.1
173.11823	3.8
173.13235	8.4
175.11201	18.6
175.14833	9.9
177.09093	13.1
181.10097	4.8
183.11711	6.3
185.09534	3.8
185.13248	13.3
187.11192	6.5
189.12703	12.5
193.10042	3.7
195.11655	4.4
197.13162	3.9
199.11226	3.5
201.12704	11.1
203.14311	28.2
207.11870	4.5
207.13811	15.2
209.13324	3.8
209.15283	3.4
211.11133	3.8
211.15001	4.0
213.12637	3.6
215.14313	7.5
219.13708	5.2
221.13422	3.4
221.15363	81.2
221.17587	3.8
222.44875	2.7
227.14281	4.5
233.15334	6.0
234.16168	12.6
237.14827	4.5
243.13760	3.8
287.20007	6.7
299.20078	7.1
303.19513	8.9
365.24701	10.1
383.25836	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.68402	2.9
53.03938	4.8
55.01858	3.6
55.05507	15.6
57.07063	13.8
59.04991	5.2
59.58021	3.1
61.01955	3.1
65.03939	6.7
67.05499	32.2
69.03431	17.6
69.07064	10.3
69.92703	3.5
70.71214	11.0
71.04990	8.0
79.05477	35.6
81.07057	37.6
81.89414	3.2
83.04965	10.9
85.06561	4.4
85.49835	3.1
89.65542	3.3
91.05479	49.8
93.07036	100.0
95.04975	35.0
95.08611	38.3
97.06522	17.6
103.05480	4.8
105.07033	87.1
105.29485	4.0
106.21375	4.1
107.08583	58.5
109.06533	26.4
109.10168	25.1
111.08075	10.4
113.09663	3.5
115.05419	5.8
117.06999	13.6
119.07773	2.5
119.08572	74.1
119.09369	6.7
121.06487	16.3
121.10143	48.9
123.08052	40.1
128.06216	7.5
129.06982	10.5
130.07751	4.5
131.08574	37.2
133.06465	9.8
133.10130	32.7
135.08043	26.6
135.11736	7.5
137.09621	15.6
139.11136	3.8
141.07014	6.0
142.07764	24.2
143.08562	31.2
145.10130	48.1
146.07274	6.1
147.08051	28.6
147.11682	15.0
148.08830	4.4
149.09628	28.9
151.07545	52.9
153.09105	7.3
155.08569	11.6
156.09306	8.6
157.10133	42.6
159.08064	11.3
159.11708	23.7
161.09674	23.1
161.13249	9.5
163.11124	8.5
165.09111	45.7
167.08553	5.1
169.10103	5.9
170.10899	5.4
171.11652	8.6
173.09619	12.4
173.13309	9.3
175.11203	22.9
175.14796	10.2
177.09111	16.7
178.09979	5.1
181.10106	3.9
183.11742	5.1
185.13261	16.2
187.11191	5.0
187.14771	3.6
189.12675	9.6
191.14322	4.5
195.11676	4.3
197.13361	4.8
199.11092	5.7
199.14897	5.8
201.12791	9.4
203.14371	33.3
207.13814	15.8
208.12477	4.0
211.14853	6.6
213.12704	6.7
215.14281	9.9
216.15012	4.6
217.12102	4.6
219.13734	5.4
220.88994	4.0
221.13367	7.3
221.15361	78.0
222.15666	4.1
225.16380	6.5
229.12402	3.9
233.15407	9.1
234.16161	12.5
243.13742	3.7
286.19263	6.9
287.19943	10.4
299.20004	5.3
303.19550	13.6
365.24695	15.1
383.25833	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01874	13.3
55.05235	2.7
55.05507	48.8
57.03433	29.0
59.05000	2.6
65.03926	4.2
67.05500	76.7
67.99345	1.9
69.03408	11.5
69.07065	31.1
70.06590	17.6
70.95848	4.1
71.04993	10.5
71.18874	3.1
71.19189	2.5
72.93784	11.7
79.05491	66.6
81.02982	3.3
81.03412	37.9
81.07053	100.0
83.04984	19.8
83.08627	24.1
84.08150	4.1
85.02892	20.2
85.06542	7.2
86.09711	21.6
87.10044	4.4
88.96874	3.3
90.94823	9.1
91.05471	39.9
92.40591	1.9
93.07037	45.7
95.04967	33.6
95.08603	37.8
97.02892	8.7
97.06538	15.6
97.10167	33.2
99.08096	9.7
104.77838	2.0
105.03400	2.4
105.07023	31.2
107.04940	12.6
107.08593	30.8
108.95868	4.2
109.06499	19.3
109.10151	36.1
111.03589	1.8
111.04426	9.3
111.08091	10.9
113.05993	5.4
117.07003	12.6
119.04915	2.8
119.08572	26.8
120.08118	5.3
121.06517	10.0
121.10148	19.5
123.08061	39.2
123.11684	6.6
125.05992	3.9
125.09623	31.6
127.07568	3.6
129.06998	7.9
131.08589	19.7
133.06506	4.4
133.10115	17.5
135.08029	13.7
135.11690	6.9
137.06033	2.8
137.09584	5.7
139.11168	2.3
143.08548	5.5
145.10143	13.5
146.97432	2.5
147.08057	8.8
147.11658	11.6
148.53491	2.2
148.98994	3.9
149.05952	2.3
149.09642	7.7
149.13338	4.7
151.11185	2.9
153.12704	4.1
155.08595	3.0
155.10643	3.2
157.10103	7.3
159.11723	7.2
161.09573	6.2
162.96913	3.0
163.11206	10.4
165.09103	6.9
165.12810	3.8
167.86128	2.0
169.10117	3.3
169.12216	4.5
171.11667	5.1
173.09607	3.3
173.11743	8.7
173.13257	2.6
175.11171	7.1
177.12775	3.0
179.10645	2.7
181.12190	3.0
184.98853	2.3
187.11111	2.5
187.13289	5.2
188.07085	4.8
189.11205	22.3
189.12767	3.1
191.10721	3.0
193.12213	29.0
195.13898	2.9
201.03654	3.3
207.06573	2.7
210.12943	3.7
211.13237	13.9
217.15887	2.6
223.13283	8.4
227.12807	4.7
229.05200	6.3
241.05231	3.3
245.04813	3.7
245.18924	3.8
255.06848	3.4
255.17444	4.2
263.20105	3.4
267.06757	41.3
268.07214	6.0
273.18500	27.1
285.07837	33.5
285.16907	5.2
291.19507	51.0
291.22495	4.1
293.32928	1.9
308.09549	5.9
309.20740	3.3
347.13016	6.8
365.14160	6.8
365.23489	10.2
383.11230	5.9
383.16125	3.5
383.24274	21.4
387.01364	2.2
390.89087	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01865	18.6
55.05507	50.2
55.93530	4.0
57.03435	33.3
57.07075	2.7
59.04986	3.7
60.31554	2.7
60.59591	2.6
61.29999	2.5
64.20004	2.4
65.03941	4.3
66.15165	2.5
67.05502	85.7
69.03425	9.6
69.07061	37.6
69.60489	7.2
69.60912	13.6
70.06586	31.9
70.95872	3.5
71.04979	13.1
71.06908	4.4
72.93783	9.8
72.94155	2.8
79.05486	70.0
81.03412	42.4
81.07049	100.0
83.04987	19.9
83.08611	34.2
84.08141	2.9
85.02891	21.2
85.06548	5.3
86.09698	33.6
87.10054	6.2
90.94811	5.5
91.05470	50.9
93.07041	55.1
95.04965	37.3
95.08614	44.3
97.02893	5.2
97.06532	15.9
97.10162	26.8
99.04433	4.3
99.08071	11.4
105.07023	37.1
107.04948	14.2
107.08585	32.6
109.06525	16.8
109.10162	30.9
111.04454	8.3
111.08100	10.7
113.06007	4.8
115.05522	4.3
115.07604	2.9
117.07053	9.8
119.04955	3.4
119.08588	24.2
120.08082	10.1
121.06516	10.5
121.10130	19.8
123.08070	42.0
123.11700	10.5
125.05990	2.6
125.09628	27.3
127.07569	2.9
129.07002	11.3
131.08543	20.2
133.06511	3.7
133.10133	17.3
135.08032	10.1
135.11676	7.4
137.05988	3.2
137.09631	8.2
139.11218	3.4
141.87662	2.8
142.07719	2.6
143.08578	6.3
144.99510	4.0
145.10132	14.5
146.05983	5.5
146.97432	3.3
147.08069	7.5
147.11705	8.9
149.09566	6.6
153.12700	5.7
155.08517	3.7
157.10118	11.2
159.07956	3.6
159.11694	9.1
161.09564	6.4
162.96735	3.0
163.11171	14.4
164.99982	5.7
165.09128	6.5
169.10205	3.4
169.12161	4.1
171.10144	4.2
171.11638	4.5
173.11768	6.6
173.13182	2.7
175.11220	11.6
181.12151	5.4
185.13249	3.8
187.13312	3.6
189.09479	3.9
189.11203	27.8
189.12746	3.3
191.10730	3.3
193.12236	25.9
199.07556	2.8
201.03738	3.7
210.12837	4.5
211.13232	19.3
217.15965	3.4
221.15407	3.8
223.13252	9.5
227.12808	6.0
229.05261	6.7
237.16412	3.4
245.04749	3.9
245.13829	3.7
245.19061	3.3
255.17390	4.9
257.08435	3.5
267.06802	38.5
273.18503	25.6
285.07813	37.3
285.17023	3.1
291.19528	44.1
308.09506	6.0
314.16013	3.9
347.13257	7.0
347.22183	3.4
365.14066	5.7
365.23239	11.6
383.11310	4.6
383.16394	6.6
383.24329	23.2
383.28915	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50603	0.7
50.54504	0.7
53.03941	1.7
53.41979	0.8
53.80966	0.7
54.61643	0.8
55.01861	5.8
55.05502	6.9
56.96564	1.9
57.03430	3.8
57.07051	1.0
59.04988	1.4
59.96635	0.8
65.03920	1.2
67.05499	43.9
68.84398	0.8
69.03413	1.4
69.07057	5.9
71.04985	2.5
74.73439	0.8
79.05473	9.1
81.07048	35.0
83.04982	2.2
83.08616	4.7
85.06495	1.2
91.05457	6.8
93.07035	8.0
95.04976	2.0
95.08595	9.4
97.06535	2.4
98.97577	2.8
105.07020	5.3
107.08584	7.7
109.06507	11.6
109.10148	32.6
111.04428	15.1
111.08062	2.0
116.98588	3.0
119.08566	7.6
121.06558	0.9
121.10136	5.8
123.08043	2.7
123.11694	2.3
125.05959	7.4
129.07004	1.1
131.08542	2.8
133.10115	5.3
134.99670	3.0
135.08028	2.9
135.11702	5.2
137.05965	100.0
137.09598	2.7
137.13214	2.8
138.06287	1.4
139.07527	0.9
142.07796	1.1
143.08519	2.1
145.10106	2.2
147.08044	1.5
147.11662	8.3
149.09575	4.7
149.13205	2.0
151.07561	3.0
155.10655	1.5
157.10115	1.8
159.11681	2.3
161.05925	0.9
161.09599	6.2
161.13235	3.4
163.11153	2.9
163.14836	1.1
165.09134	2.6
167.10677	1.1
171.11633	1.7
173.11743	10.3
173.13158	1.7
175.11130	5.6
175.14946	1.6
179.10573	1.9
181.66080	1.0
189.12721	1.5
190.98642	2.1
193.12219	1.9
197.13315	1.1
203.14388	0.9
203.17934	9.2
205.19398	1.4
208.99756	1.3
213.16388	3.0
215.08827	1.0
215.17958	1.1
221.18961	2.0
223.14874	0.9
229.72563	1.0
231.17458	10.4
241.15863	2.5
249.18491	12.2
277.17957	50.8
291.19565	1.1
295.15887	1.4
295.19031	22.1
339.08755	0.9
351.21701	4.0
361.17767	1.8
366.20197	0.9
379.34396	1.0
383.11081	2.4
383.24268	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01879	8.6
55.02083	1.7
55.05509	27.1
57.03436	18.7
57.07048	3.1
59.04985	3.7
59.40014	1.6
65.03941	4.1
67.05501	100.0
69.03418	5.2
69.07069	21.1
69.77613	12.6
71.04983	8.4
72.07411	1.8
79.05492	41.0
80.71663	1.6
81.03403	8.2
81.07053	89.7
83.04978	17.3
83.08618	8.7
83.39025	1.6
85.02889	4.7
85.06536	7.6
91.05479	63.0
93.06477	2.9
93.07037	33.0
95.04967	40.0
95.08600	23.9
97.02902	3.4
97.06524	9.2
97.10143	2.4
99.04442	3.5
99.08089	5.4
103.05444	2.0
105.07030	49.2
107.04975	9.3
107.08588	34.9
109.06530	10.7
109.10151	55.0
111.04414	4.3
111.08074	5.0
113.05979	3.8
115.07526	2.1
117.07008	5.5
119.08586	22.3
121.06480	3.5
121.10147	10.3
123.08067	6.6
123.10941	1.9
123.11656	9.1
125.09614	3.2
127.07588	2.4
129.06999	8.2
131.08586	13.6
133.06488	5.0
133.09119	3.8
133.10127	69.5
135.08017	10.2
135.11646	8.5
137.09601	5.2
142.07751	2.6
143.08513	3.9
145.10103	6.1
147.08035	4.5
147.11670	14.1
149.09637	8.8
151.11182	43.6
153.12766	2.0
157.10138	9.4
159.11711	2.2
161.09653	3.0
161.13326	2.7
163.11244	3.0
165.12723	8.9
169.12228	5.4
173.11748	9.1
175.11139	15.2
175.14752	1.7
181.10005	2.1
193.12234	17.5
195.13788	1.8
211.13245	14.7
215.12825	2.3
245.19073	2.4
253.14546	4.1
267.06717	2.7
267.15836	4.2
273.18484	6.5
285.16922	17.9
291.19528	7.4
297.03870	3.1
298.98807	2.0
365.23215	2.2
383.11469	4.5
383.24448	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01878	16.7
55.05510	36.8
57.03431	44.3
57.07067	3.3
58.19172	3.1
64.71185	3.0
65.03932	3.4
67.05505	98.3
69.03420	7.0
69.07068	98.9
70.06587	11.7
70.82333	7.9
70.82695	3.6
71.04992	42.3
73.02906	12.6
76.75116	2.9
79.05062	5.8
79.05492	79.7
81.03416	19.3
81.06585	6.3
81.07052	100.0
83.04971	14.2
83.08627	17.4
83.42278	2.7
85.02895	6.1
85.06532	10.4
86.09695	14.9
91.05477	49.4
93.07041	59.9
94.51189	3.5
95.01305	5.6
95.04984	31.3
95.08601	44.2
97.02878	5.1
97.06525	47.1
97.10161	10.0
99.08100	28.3
100.11250	5.2
105.07036	47.5
106.79147	3.3
107.04935	15.4
107.07982	3.3
107.08610	35.3
109.06514	33.7
109.10155	42.5
111.04423	7.2
111.08095	11.7
113.05963	5.3
115.06788	6.1
115.07565	80.9
117.07012	13.5
118.06567	3.6
119.08577	28.4
120.08109	4.0
121.06499	13.1
121.10165	18.1
123.08054	17.1
123.11696	4.0
125.09612	10.9
127.07538	11.0
128.06223	4.1
129.07007	11.9
131.08580	28.7
133.06488	7.4
133.10124	29.1
135.08029	16.5
135.11671	14.6
137.06009	7.1
137.09613	4.0
141.07027	5.3
143.08516	6.4
145.10129	13.4
146.06067	4.2
147.08040	8.3
147.11739	16.8
149.09595	12.8
149.13226	13.2
151.11191	5.1
152.14439	4.4
153.01851	3.9
157.10120	13.0
159.11690	10.0
161.09622	9.5
161.13260	6.0
163.11163	4.8
167.08607	4.1
171.11710	4.4
173.09622	5.1
173.11690	9.7
173.13110	4.0
175.11107	9.3
177.12759	6.0
177.16484	3.3
183.11690	4.0
185.13206	4.3
188.07054	4.6
189.11263	4.5
189.16434	6.8
193.12328	4.3
195.13800	3.6
199.11179	4.0
199.14851	4.2
201.12720	3.9
203.14247	3.5
213.12839	3.3
217.15843	12.1
219.13809	4.3
221.15454	5.5
227.12749	4.5
227.17833	4.2
233.29645	3.2
245.19055	4.2
255.17365	5.1
263.19989	4.1
267.06635	3.8
273.18478	39.6
291.10001	4.0
291.19522	32.1
297.17020	4.6
310.12811	6.5
365.23193	19.5
383.10794	5.9
383.24164	31.8
383.29184	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01864	9.7
55.05504	23.1
56.96558	2.2
57.03433	19.9
57.07058	2.1
59.04967	2.0
65.03937	4.1
67.05499	100.0
69.03422	6.4
69.07066	19.4
69.66380	5.4
69.66792	8.9
70.43419	1.9
71.04980	4.4
71.54768	2.0
71.69810	1.9
78.12115	1.7
79.05485	47.8
81.03413	8.7
81.07050	88.2
83.04974	15.8
83.08604	9.7
85.02897	2.8
85.06527	6.1
87.04442	2.0
91.05473	60.9
93.07026	35.6
95.04961	31.9
95.08598	31.0
97.02910	5.0
97.06524	6.0
97.10165	3.0
99.04469	2.7
99.08083	5.0
100.07636	2.4
105.07018	50.6
107.04942	8.4
107.07895	2.6
107.08588	39.7
109.06504	11.8
109.10146	61.3
111.04445	7.5
111.08092	6.7
113.06036	4.0
117.07001	6.9
119.04806	2.5
119.08579	24.9
121.06464	4.3
121.10105	11.3
121.83347	2.2
123.08049	5.1
123.11717	8.5
125.09647	5.6
129.07010	12.5
131.08575	12.4
133.06438	5.2
133.10115	57.3
135.08049	14.9
135.11742	4.0
137.05952	2.5
137.09624	4.7
142.07727	2.3
143.08553	3.8
145.10147	5.4
147.08040	3.3
147.11662	22.9
149.09622	11.2
149.13220	4.2
151.11148	25.2
151.44727	2.1
153.12756	2.3
157.10135	8.7
159.11629	2.7
161.09674	4.5
161.13231	3.1
163.11214	2.6
165.12755	8.7
169.12175	2.3
171.11646	2.2
173.11700	11.5
174.99037	3.0
175.11172	14.8
176.82767	2.1
188.07079	4.5
193.12196	17.8
210.92006	2.0
211.13202	15.6
253.14384	2.8
267.15869	4.7
273.18439	4.6
285.16956	26.4
291.19547	6.0
347.22281	2.5
365.23071	2.3
383.11221	3.6
383.24268	22.9
383.37625	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	383.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05291	0.7
55.05505	6.3
55.36493	0.7
56.05027	1.2
56.96551	1.3
57.03437	1.4
57.07063	1.4
58.06591	0.7
67.05231	0.6
67.05502	6.9
68.05009	1.5
69.03401	0.7
69.07063	4.3
69.75353	1.1
69.75762	3.6
70.06562	1.1
71.04974	0.8
72.04490	0.7
76.87633	0.7
79.05495	5.5
80.05013	2.4
81.03398	1.0
81.07056	7.7
82.06574	2.4
83.04964	1.8
83.08598	2.3
84.04466	0.7
84.08123	1.4
85.06555	1.2
86.06062	1.3
88.07674	0.7
91.05470	6.0
93.07043	9.5
94.06570	0.8
95.04968	2.3
95.08604	5.0
96.08137	1.0
97.02900	1.0
97.06493	1.7
97.10136	1.0
97.94080	0.6
98.06040	1.8
98.09689	1.4
100.11246	2.8
101.11557	0.8
105.07030	3.5
107.08570	4.1
108.08113	3.3
109.06506	1.6
109.08937	1.1
109.10119	3.8
110.09663	2.9
114.05518	2.5
115.05444	2.1
115.07625	0.9
116.07088	1.3
117.05734	1.0
117.07010	4.1
118.06538	38.0
119.08570	2.6
121.06494	1.1
121.10117	3.3
122.09655	2.8
123.08040	0.8
123.10435	2.0
123.11698	1.5
124.11222	1.7
125.09679	0.7
130.06523	8.3
131.08582	1.8
133.10120	1.6
135.11674	3.2
142.06549	4.1
142.07693	0.7
143.07291	3.2
144.04393	0.9
144.08073	24.4
145.10081	2.0
146.06000	87.9
147.06372	1.1
147.11632	1.2
149.02357	2.7
150.02609	1.2
150.12764	4.5
151.11128	1.2
152.14334	100.0
153.14680	0.8
154.15872	2.5
156.10178	0.9
156.13818	1.5
157.14191	0.8
159.11674	1.2
159.12875	0.8
160.07483	0.9
163.11220	0.9
164.14378	1.9
165.07829	2.4
168.08174	0.8
169.10147	1.0
170.06003	7.3
173.09685	0.8
182.15364	1.3
183.15736	1.4
184.11223	2.5
184.13274	1.9
185.13533	1.1
188.07057	60.2
189.07439	1.6
193.04976	3.9
194.05295	3.0
196.16954	58.6
208.13321	3.9
210.14900	13.0
210.16736	1.4
215.08092	0.9
252.15892	2.0
254.17436	8.7
273.18527	1.4
296.76767	0.8
319.09760	0.9
339.20651	55.6
340.21097	2.2
383.23264	67.5
384.23602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01859	2.5
55.05507	6.9
56.96555	2.3
57.03421	4.7
59.13692	1.1
65.03940	1.2
67.05504	15.7
68.05019	1.6
69.03417	2.6
69.07066	5.9
70.06571	1.2
71.04983	1.7
71.56483	1.0
72.66994	1.1
74.06046	1.7
79.05492	10.1
79.80441	1.3
80.05001	6.0
81.03410	3.3
81.07053	15.2
82.06593	1.8
83.04965	2.0
83.08614	3.3
84.08158	1.5
85.06546	1.4
91.05479	9.4
93.07032	11.9
94.06560	1.2
95.04951	3.8
95.08598	9.4
96.08104	2.2
97.06499	3.2
97.10151	1.8
98.06051	9.9
105.07029	6.4
107.04984	2.0
107.08583	6.8
108.08141	2.7
109.06534	2.7
109.08885	1.8
109.10150	6.4
110.09669	3.4
111.04443	1.2
111.08065	1.3
113.05980	1.3
114.05518	4.1
115.05450	2.9
116.07083	1.8
117.07009	6.6
118.05708	2.0
118.06538	39.9
119.04910	1.4
119.08581	5.9
121.10139	5.4
122.09641	1.9
123.08057	2.6
123.11757	1.7
124.11255	1.1
125.09589	1.5
129.06998	2.7
130.06526	14.3
131.08575	3.9
132.08078	1.3
133.10118	4.8
135.08023	1.9
135.11703	5.7
137.05968	5.6
137.09641	2.2
138.05484	2.3
142.06494	3.3
143.07286	3.2
143.08571	3.1
144.04474	1.2
144.08072	24.2
145.06499	1.7
145.10098	2.4
146.06003	100.0
146.99779	1.2
147.04381	3.0
147.06450	1.6
147.08115	1.7
147.11676	4.2
149.09596	1.0
150.12769	5.1
151.11194	1.7
152.14336	86.8
153.14691	2.3
153.55927	1.1
157.10167	2.6
163.11285	1.3
168.08020	1.2
170.06021	7.8
171.08020	1.4
173.13196	1.3
175.03941	1.5
175.11285	1.4
175.14822	1.4
178.15895	3.1
179.34091	1.1
184.11211	2.8
185.09631	1.1
187.14793	1.4
188.07060	74.9
189.12796	1.2
189.89490	1.2
193.12317	1.5
196.16951	50.1
207.06555	3.1
208.13309	2.8
210.14865	8.1
215.08415	1.3
254.17531	14.0
267.11298	2.6
267.47208	1.1
273.18430	2.5
291.10123	1.6
291.19623	3.2
295.21835	1.4
306.77206	1.2
339.20660	49.0
340.20911	2.0
351.08798	2.0
383.11230	3.9
383.23288	83.9
384.23737	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86013	1.4
53.03928	4.7
53.87725	1.2
55.01866	8.7
55.05506	9.8
56.96552	1.4
57.03424	4.4
58.52003	1.2
65.03928	2.9
67.05497	18.8
69.03429	6.4
69.07064	6.1
71.04970	4.4
71.57334	2.9
73.02914	1.4
78.41914	1.1
79.05486	18.8
81.03420	8.2
81.07051	23.5
83.01328	4.7
83.04961	4.1
83.08612	2.9
84.04441	1.5
85.02892	4.8
85.06541	3.1
91.05470	21.4
93.07037	16.0
95.01331	2.6
95.04960	11.2
95.08594	12.2
97.02870	3.0
97.06507	6.7
97.10172	2.1
97.73078	1.2
99.04454	1.5
99.08099	3.0
100.11231	1.7
103.05486	1.9
105.03365	1.7
105.07023	23.0
107.04971	7.5
107.08578	10.3
109.02867	5.5
109.06506	5.6
109.10149	5.4
111.04387	2.2
111.08099	1.8
115.05382	1.4
117.06991	8.7
119.04939	4.5
119.08563	12.7
121.02878	2.4
121.06477	10.2
121.10122	5.4
122.03616	1.9
123.04415	3.9
123.08054	3.4
125.02302	1.8
125.05967	2.4
125.09528	1.5
127.03915	5.5
128.06216	3.3
129.07010	7.8
129.49893	1.2
131.04912	3.7
131.08546	8.3
133.06479	8.4
133.10098	7.6
134.99634	1.4
135.04419	24.3
135.08057	5.8
135.11658	3.3
137.02313	5.7
137.05951	7.2
137.09599	2.1
141.06987	5.1
142.07768	2.0
143.08586	4.3
145.06494	4.7
145.10085	8.8
146.05978	4.0
146.07082	1.5
146.70370	1.5
147.04362	6.3
147.08061	11.9
147.11700	5.4
149.02364	3.8
149.05925	3.9
149.09631	2.3
149.13280	2.1
151.03900	6.9
151.07497	1.5
152.14282	2.4
153.05434	1.8
155.03400	3.6
155.08565	1.8
157.06474	1.5
157.10165	4.3
158.71512	1.4
159.04437	2.4
159.08018	1.6
159.11719	7.2
161.05952	4.3
161.09593	4.4
161.13248	2.1
163.03896	100.0
163.11160	5.2
164.04190	2.6
165.05496	3.8
167.07013	1.2
169.01283	7.9
169.10107	4.9
171.08011	2.5
171.11685	6.7
173.05948	2.2
173.09601	3.9
175.03874	5.5
175.07487	2.1
175.11192	3.7
177.05453	10.2
177.12770	3.7
179.03410	20.4
181.04953	6.4
183.02850	6.2
187.03934	2.6
187.07549	2.1
187.11220	8.1
188.07080	3.3
189.05446	1.8
189.09116	1.9
189.12727	28.6
191.03383	2.3
191.10779	1.8
196.16891	2.2
197.09627	2.8
199.07692	2.2
199.11121	3.7
199.15016	1.4
205.04968	4.0
205.12257	4.7
207.06421	1.6
209.04420	2.2
210.14996	1.9
215.10652	7.4
217.12193	4.0
221.15335	1.6
225.09180	2.9
233.11702	23.3
235.13208	1.5
239.11382	1.3
243.10156	22.8
249.14990	2.0
251.12766	3.9
261.11200	19.3
273.18414	4.8
275.13034	1.7
279.12329	16.0
287.12839	2.1
289.14481	2.3
291.10013	2.3
291.19412	4.4
293.13800	19.5
297.13324	22.8
307.69440	1.3
311.14911	7.9
315.12265	3.5
323.09091	1.3
333.13351	6.3
351.08560	1.9
352.13110	2.2
355.11826	2.7
365.15811	4.5
383.15561	2.6
383.23709	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.00323	1.6
53.03946	3.4
55.01866	10.8
55.05508	10.6
56.96550	3.1
57.03425	5.8
57.79595	1.6
65.03933	3.0
67.05502	21.9
69.03417	3.8
69.07050	6.5
71.04992	4.1
71.57825	2.3
79.05480	20.1
80.04991	1.9
81.03410	7.4
81.07053	23.5
83.01335	5.2
83.04964	3.1
83.08611	3.0
84.08134	2.3
85.02889	3.4
85.06531	2.9
91.05479	19.3
93.07042	21.9
95.01292	2.1
95.04972	11.1
95.08594	15.7
97.02857	6.0
97.06522	9.8
97.10148	2.2
99.08075	2.2
101.05927	1.4
103.05411	3.0
105.07022	20.0
107.04939	5.8
107.08585	8.6
109.02876	5.3
109.06490	5.9
109.10149	5.5
110.07151	2.3
111.04429	4.3
111.08080	3.1
111.94909	1.4
113.34374	1.4
115.05449	2.1
115.31756	1.5
117.07018	7.6
119.04937	5.6
119.08570	11.1
121.02809	1.7
121.06493	10.8
121.10129	5.0
122.23695	1.4
123.04445	1.7
123.08041	4.2
123.11682	1.4
125.02397	1.6
125.05965	1.7
125.09628	1.6
127.03899	5.4
128.06210	3.5
129.06976	5.8
131.04872	3.0
131.08557	9.6
133.02974	1.9
133.06526	8.5
133.10112	9.1
135.04410	22.2
135.08020	5.8
135.11711	4.8
137.02307	6.0
137.05968	7.6
141.06966	3.6
143.08563	6.7
145.06468	4.6
145.10112	8.6
146.06004	2.9
146.42888	1.7
147.04376	6.1
147.08057	11.8
147.11650	5.2
149.02313	2.8
149.09599	3.3
149.13228	2.0
151.03882	9.3
151.07524	2.7
152.14262	2.6
153.01813	2.5
153.05571	1.8
154.07814	1.8
155.03343	3.6
155.08531	2.5
157.06491	1.8
157.10097	3.6
159.11684	7.4
161.05969	4.6
161.09589	4.8
161.13260	3.5
163.03897	100.0
163.11122	3.3
164.04231	1.7
165.05550	2.4
169.01286	5.9
169.10147	4.5
171.11656	6.3
173.05989	1.9
173.09630	2.8
175.03883	5.0
175.11194	2.1
177.05484	7.6
177.12717	3.0
179.03397	15.3
179.10612	1.9
181.04901	3.2
183.02866	3.7
187.07562	1.9
187.11163	9.0
188.07082	2.2
189.09087	1.8
189.11169	1.0
189.12744	23.6
193.05063	1.7
197.09624	2.5
199.07573	1.5
199.11192	4.3
203.10576	1.8
205.04939	3.8
205.12199	4.4
207.63844	1.7
213.05389	1.6
215.10693	9.1
217.12219	5.2
221.15398	2.0
225.09198	1.7
229.05014	2.1
233.11705	22.0
243.10170	19.9
251.12772	4.8
261.11261	17.6
273.18369	3.6
279.12360	17.6
289.14334	2.2
291.19412	4.6
293.08246	1.8
293.13757	20.0
297.13303	20.6
302.13843	1.9
311.14838	5.7
315.12228	2.6
323.12753	2.2
333.13272	6.1
339.21027	1.8
351.08401	1.8
355.11752	3.3
363.87622	1.8
365.15851	4.8
365.23221	3.5
383.10806	2.0
383.15576	5.3
383.23712	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	383.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01857	1.9
55.05507	3.0
56.96550	0.9
57.03424	3.3
61.02462	0.6
65.03935	1.3
67.05497	7.6
69.03410	1.8
69.07071	3.6
70.06589	1.0
71.04974	2.2
71.31890	0.6
71.56245	0.7
71.56670	1.0
72.08131	1.0
77.14306	0.6
79.05486	7.0
80.65428	0.7
81.03401	1.3
81.07053	8.4
83.04967	1.9
83.08595	2.1
85.02898	1.1
85.06523	1.2
86.09704	1.0
91.05483	5.0
93.07041	4.3
95.04948	1.8
95.08613	4.1
97.06522	3.2
97.10145	1.0
99.04424	0.9
99.08070	1.0
105.07018	6.4
106.40086	0.6
107.04930	2.5
107.08592	3.6
109.06514	2.2
109.10125	4.3
110.09700	0.9
111.08104	1.1
115.05431	1.0
117.07005	2.2
119.04884	1.0
119.08586	3.7
121.06468	1.2
121.10139	2.3
123.08064	0.9
123.11690	0.6
125.05914	0.6
125.09560	1.0
128.06247	1.2
129.06985	2.8
130.77992	0.6
131.04907	0.7
131.08568	2.9
133.02873	0.8
133.10107	3.4
135.07991	1.4
135.11681	0.8
137.05942	2.1
137.09586	0.7
141.06967	3.4
143.08496	1.0
145.06435	1.1
145.10114	2.0
147.04396	1.2
147.07982	1.5
147.11649	1.6
149.09546	1.3
151.07565	0.7
151.11163	1.2
152.06288	0.7
153.05429	1.6
153.06914	0.6
155.08554	0.9
156.05730	0.7
157.06522	3.5
157.10095	1.4
158.07162	1.3
159.08029	0.9
159.11668	1.6
161.05998	1.0
161.09586	1.3
163.03833	1.2
165.05550	1.0
165.06956	1.8
167.07047	1.5
169.06490	1.3
170.07271	1.7
171.08049	0.8
171.11646	1.0
173.09546	0.6
173.11783	0.7
175.11200	1.6
177.05484	1.4
178.07759	0.7
179.06960	0.7
179.08447	0.9
180.09215	0.6
181.06477	1.5
181.10005	0.9
183.08020	1.1
185.05957	1.1
186.06683	4.2
187.07509	1.1
189.07021	2.5
190.07762	2.8
191.06993	1.6
191.08565	4.5
191.10341	0.7
192.09259	1.4
193.09967	0.7
193.12227	1.4
194.07304	1.5
195.08008	1.1
195.11678	0.6
198.06630	1.4
199.07515	1.2
200.08376	1.9
201.09100	3.5
202.07750	6.5
203.08569	6.1
205.06462	5.3
205.08405	1.2
205.10127	1.9
206.07198	1.8
207.08038	2.2
208.05214	1.0
208.08829	1.4
209.09601	1.3
211.07497	0.6
212.08115	0.6
215.08595	3.7
216.09344	1.6
217.06540	1.1
217.08481	1.0
217.10257	1.3
218.07222	5.4
219.08046	15.6
220.08807	7.7
221.06073	1.2
221.09570	2.0
222.06741	2.1
223.07449	1.5
225.05414	0.7
227.08681	0.9
229.08580	8.6
230.07225	5.6
231.08063	13.3
231.10130	1.4
232.08836	4.0
233.05927	4.2
233.09608	8.4
234.06718	3.8
234.10336	2.0
235.07483	2.5
235.11139	2.3
236.04716	0.8
236.08333	2.2
237.09048	2.8
238.09869	0.7
239.06992	1.1
240.07834	0.9
241.08600	1.0
243.08044	1.0
244.08832	2.4
245.05959	1.3
245.09621	4.7
246.06697	3.1
247.07532	23.7
248.08295	18.6
249.05490	1.7
249.09058	7.3
250.06314	4.2
250.08606	0.9
251.07054	2.7
251.10660	1.6
252.07916	1.3
253.08583	1.3
258.06729	3.5
259.07605	7.3
260.08273	2.8
261.05496	2.3
261.09058	7.0
262.06497	3.4
262.09842	7.2
263.06985	3.9
263.10626	12.0
264.07776	4.0
265.04803	0.6
265.05688	0.8
265.08582	9.5
266.05951	0.6
266.09155	1.7
267.06659	1.4
267.10303	0.7
269.07983	1.4
271.06290	0.6
272.08392	1.6
273.05722	1.0
273.09039	2.7
273.18423	2.0
274.06192	2.2
275.07031	12.8
276.07785	16.3
277.05051	3.5
277.08548	10.7
278.05688	3.4
278.09222	2.2
279.06442	4.2
279.09781	4.5
280.07190	1.5
280.10648	1.6
281.07968	1.1
287.07159	1.1
288.07632	1.1
289.05655	0.7
289.08627	3.6
290.06042	1.1
290.09293	9.3
291.06610	2.4
291.10086	24.1
291.19476	2.1
292.07251	10.3
292.10788	3.5
293.08063	17.7
293.11380	1.6
294.08707	3.7
295.06039	2.2
295.09564	0.9
295.13043	0.9
296.06845	0.7
297.11145	1.1
302.13577	0.8
303.06488	2.3
304.07312	4.1
305.08038	6.5
305.11682	3.9
306.05359	0.7
306.08746	1.8
307.05933	4.0
307.09607	13.3
308.06918	1.2
308.10321	10.0
309.07556	1.4
309.11130	5.3
310.08401	2.7
311.08975	1.5
311.43777	0.7
315.08606	2.7
318.09006	3.2
319.06158	0.9
319.09619	10.8
320.06683	2.3
320.10358	4.0
321.07523	8.8
321.11172	3.0
322.08279	7.3
322.11963	3.1
323.05673	1.1
323.09048	1.8
323.12704	16.7
324.13065	0.8
325.10760	3.1
326.11133	0.7
329.10165	3.0
330.10867	2.3
333.11111	1.5
335.09174	4.2
336.09897	10.1
337.07074	1.1
337.10641	27.2
338.07654	4.0
338.11346	1.3
339.08319	1.6
339.12146	0.9
340.13019	1.6
346.30402	0.7
350.11603	2.9
351.12250	33.4
352.08670	1.2
352.13007	21.3
353.10120	17.4
353.14395	1.0
354.10730	1.3
355.15329	0.9
365.23099	0.9
365.27734	0.9
367.11734	1.4
368.12531	23.3
383.14841	100.0
384.15213	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	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08397	1.5
55.78777	1.5
57.03420	2.4
58.57515	1.6
61.02906	3.7
69.03416	6.8
70.02953	1.4
71.04999	1.8
71.30352	2.9
73.02924	2.1
74.02420	2.7
81.03393	7.3
82.02950	1.5
85.02902	29.4
85.03384	3.1
94.06601	2.3
97.02920	8.5
99.04453	3.9
109.02880	2.3
115.05442	1.8
118.06535	7.2
120.08113	1.9
127.03910	4.9
130.06520	61.6
131.06862	1.9
132.04462	16.4
132.08080	5.3
142.06580	2.0
144.06952	1.8
144.08058	26.9
145.05055	2.1
145.07596	21.3
145.08620	1.9
146.06018	12.3
148.07542	3.7
154.06503	3.5
156.08073	2.5
157.07610	58.0
158.04787	3.0
158.06015	42.4
158.08170	2.2
159.09169	6.6
160.07581	4.4
168.08002	2.0
169.07613	6.8
170.06009	3.0
171.09154	8.6
172.07552	13.2
174.05527	6.2
175.08665	57.9
176.07162	1.8
181.07658	5.4
182.08353	2.7
183.09187	14.4
184.06142	2.2
184.07597	3.1
185.07106	12.2
186.05515	3.4
186.07861	3.6
187.08667	3.1
188.07092	1.9
190.08675	2.2
199.08688	10.7
200.07069	17.6
202.08586	2.1
203.08145	100.0
204.06531	3.5
204.08391	2.0
207.09079	2.3
209.07042	7.2
215.08173	2.1
216.08896	5.0
217.09698	35.1
221.09195	49.2
221.11394	2.5
227.08223	11.5
228.06511	3.2
228.40170	1.5
231.07619	5.8
245.09206	27.8
253.09761	2.6
255.35658	1.5
257.09244	2.3
263.10260	32.5
275.10403	2.4
294.50385	1.5
299.10345	5.3
329.11240	5.1
347.12250	8.1
348.10785	12.0
351.40262	1.7
365.13403	26.1
383.14508	14.7
401.30948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15540	1.2
54.42654	1.1
55.01856	2.3
57.03421	1.2
60.48745	1.2
67.05511	1.6
69.03432	2.2
69.39760	12.5
70.06579	3.7
72.08121	1.6
75.19793	1.1
76.51458	1.1
85.02905	1.7
85.05766	1.1
86.09690	1.9
91.05464	2.2
93.07032	1.5
95.04997	2.6
98.20824	3.0
117.03416	1.3
120.08093	1.7
134.05974	1.7
146.06007	1.6
166.04948	2.1
170.06117	1.6
172.07501	1.7
173.07126	3.1
174.05548	3.9
183.09166	2.9
184.07545	2.3
187.08661	3.4
188.07094	2.0
190.08632	1.6
193.07642	1.8
196.06158	1.6
197.07045	2.2
198.05566	1.8
199.05003	1.4
200.07036	2.8
201.06599	5.2
202.05080	1.6
205.09787	1.3
210.07639	2.8
211.08688	10.3
212.06856	1.6
214.08723	1.7
215.08159	13.4
221.07057	2.4
224.05801	3.7
225.06534	4.7
227.04503	2.8
229.06126	2.5
229.09665	5.0
233.09232	4.0
236.57492	1.2
238.07416	2.2
239.05890	2.5
239.08144	32.6
243.07652	25.1
245.09250	5.6
248.05376	2.7
253.06174	2.2
257.09222	12.8
259.10767	1.6
261.08630	11.4
266.51230	1.2
267.07635	100.0
268.07791	2.0
269.09210	3.0
271.07208	5.3
275.06723	1.4
275.10184	2.6
279.09735	2.4
285.08682	71.1
286.09216	1.9
287.10245	2.8
289.08170	13.0
295.07117	10.6
303.09781	9.7
307.09232	3.6
313.08163	80.5
321.10751	12.5
331.09241	90.8
332.09314	1.6
339.11835	15.3
339.92404	1.3
349.10315	7.0
363.11740	9.9
381.12851	13.6
381.18784	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	383.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
54.83125	1.3
55.01860	3.9
55.05498	1.4
57.21689	1.5
58.19742	1.4
60.04520	1.2
61.02927	7.1
61.50695	1.4
67.15741	1.3
68.99787	10.7
69.03420	2.2
70.02122	6.7
70.06583	2.6
71.01344	1.4
71.21846	1.5
74.79540	1.5
79.05471	2.2
81.03411	2.1
85.02894	5.9
86.09731	1.4
87.00807	5.7
91.05474	12.5
91.15767	1.2
93.07032	3.4
95.04925	4.3
95.05507	1.3
97.02885	5.3
98.03713	1.4
103.05450	5.1
105.07009	3.7
105.31721	1.3
107.04922	5.6
108.05178	1.4
109.02896	2.2
110.07132	2.0
111.04440	7.0
115.05435	5.0
116.98633	1.6
117.06992	6.1
119.04926	8.4
121.06501	8.4
123.04457	3.6
129.01788	8.2
130.04974	1.5
131.04909	8.7
133.06482	4.5
135.04430	1.5
135.07971	2.2
137.02319	2.2
137.05901	1.5
141.05432	1.9
144.05682	2.0
145.06480	12.2
146.03586	6.0
147.03011	3.3
147.04388	28.2
147.08121	1.4
149.05940	6.4
153.05507	2.1
154.02567	6.9
155.04889	2.4
159.04417	3.7
161.05969	3.1
163.03838	5.3
163.07523	2.0
164.04662	6.1
169.04932	16.6
170.05650	4.5
172.05150	6.3
173.05991	11.6
174.03070	4.7
175.03876	4.4
176.04697	3.1
177.05455	18.0
179.03535	1.8
182.08041	1.7
182.99677	1.4
183.06480	2.8
187.03902	5.8
189.05397	3.0
190.06200	4.1
191.03336	2.1
191.07001	5.6
192.04169	7.1
193.05019	8.0
200.04657	5.1
201.05455	10.4
203.03365	6.3
205.04967	9.0
205.08475	1.7
207.02861	4.4
207.06505	26.7
209.04480	2.3
209.08109	9.1
215.03403	4.3
217.05042	2.8
217.08397	1.7
218.05711	5.9
219.06577	8.0
219.46556	1.4
221.08054	3.3
222.05254	9.1
228.04294	1.5
229.04904	6.8
231.02826	3.8
233.08089	25.2
235.05954	10.3
237.07565	19.7
246.05237	3.6
247.06020	10.3
251.09203	3.5
255.00079	2.3
261.07565	42.7
264.06323	5.1
265.07013	1.4
279.08609	100.0
280.08981	2.4
297.09763	2.1
383.09909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87690	3.0
64.77903	2.7
70.08935	11.9
70.09337	6.4
95.62009	3.1
124.85963	2.9
153.94102	3.0
160.15443	2.8
205.43735	3.3
207.01691	3.0
208.97292	4.0
218.85822	3.6
219.02615	5.6
242.91168	3.5
282.74933	3.2
302.77637	3.1
358.04022	3.5
381.07916	100.0
390.16663	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90421	5.2
66.35874	5.1
70.91389	5.5
70.91734	9.8
82.06890	5.0
98.15067	5.7
126.58810	5.3
145.01904	5.1
145.74362	5.8
201.01625	10.0
381.07938	100.0
382.08423	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	380.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74925	0.2
55.05508	0.3
59.04979	0.2
61.02893	0.3
64.77814	0.2
65.03909	0.2
67.05505	1.8
69.07050	0.3
69.46185	1.6
70.06561	0.3
71.04994	1.8
79.05508	0.8
81.07059	1.9
83.08616	0.2
83.55878	0.2
84.04457	0.2
91.05479	0.5
93.07032	1.1
94.04043	0.8
95.08583	0.7
97.06519	0.2
98.67089	0.2
99.04380	0.2
105.07018	0.5
107.04949	0.2
107.08604	0.9
109.06478	0.2
109.10139	0.2
110.06006	0.2
111.08076	0.2
114.77072	0.2
117.07032	0.3
119.03556	1.5
119.08568	0.3
121.06455	0.3
131.08530	0.4
135.04398	0.3
135.11670	0.4
136.06178	100.0
137.04585	1.9
137.06633	1.0
143.08429	0.2
145.10110	0.3
149.13255	0.6
150.07713	0.2
159.11691	0.6
167.93195	0.2
168.06532	0.6
177.12679	0.3
187.11356	0.2
195.13834	0.3
222.46808	0.2
227.14484	0.2
227.16264	1.0
243.57178	0.2
264.19708	0.2
330.19324	1.1
331.19788	0.2
344.20657	0.9
348.20261	9.4
349.20511	0.3
362.21899	1.7
380.22919	18.9
381.23560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45676	0.9
60.93304	0.9
67.05482	1.2
70.06561	1.1
71.57088	1.7
74.97016	0.8
81.07005	0.9
84.04494	1.5
86.09685	1.3
91.05476	12.3
91.71978	0.7
93.07039	0.9
101.18784	0.8
107.08624	1.0
109.99340	0.8
118.18361	0.8
119.01905	1.8
125.56734	0.8
152.05637	1.2
161.02968	0.9
170.50697	0.8
180.91100	0.7
227.05273	1.6
229.08777	0.8
258.11322	1.5
271.04214	3.8
293.09879	6.2
311.09753	1.4
317.09769	2.0
335.10995	38.1
336.11264	1.3
379.09961	100.0
380.10312	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	379.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36246	5.3
55.01868	14.9
55.05507	15.8
57.03431	16.2
61.02919	23.6
67.02351	5.3
67.05494	16.9
67.23459	6.1
68.99787	38.7
69.03422	10.7
69.07069	7.4
70.06580	10.4
71.06925	5.7
73.07446	5.5
79.05106	5.3
79.05501	25.6
81.03406	19.2
81.07056	26.7
83.05009	7.4
83.08639	6.4
85.02908	18.9
87.00831	20.2
91.05498	33.6
93.07038	26.2
94.46204	5.6
95.04972	11.5
95.08587	10.6
97.02907	6.2
97.06526	10.9
100.11266	11.7
103.05458	22.7
105.03441	7.2
105.07031	25.3
107.01303	9.0
107.08566	12.8
109.02914	12.9
109.06523	6.2
109.10167	7.5
115.05471	31.5
117.07013	29.6
118.06538	13.3
119.04962	9.9
119.08588	16.5
121.06471	7.3
121.10130	10.5
123.04425	6.6
124.05190	9.1
125.09679	7.8
127.76542	5.8
129.01834	23.4
129.06958	14.7
131.04916	36.3
131.08594	11.7
133.02820	7.0
133.06447	7.6
133.10155	13.0
137.05963	31.3
137.09537	5.3
141.06993	44.0
143.04938	38.3
143.08585	16.7
144.05661	7.1
145.06511	28.2
145.10095	12.0
146.03683	32.7
146.06000	22.2
147.02852	7.5
147.04410	12.5
147.08031	7.2
149.05942	13.0
151.03900	65.8
151.05005	9.3
155.04907	13.8
157.02852	10.1
157.06491	10.4
157.10109	11.0
159.08044	11.0
160.05203	15.2
161.05995	85.0
162.06750	9.3
163.07588	28.1
169.06462	57.6
171.04373	32.0
172.05214	8.5
173.06017	13.5
175.07576	41.4
177.05508	16.9
177.09125	8.3
183.04466	8.4
186.06787	13.7
187.07532	29.7
188.04601	15.2
188.07082	17.6
189.05504	18.0
190.06236	18.1
192.13857	15.9
197.05986	71.4
198.06535	7.6
199.11163	9.0
201.09145	24.8
203.07027	86.3
204.07567	10.0
205.08583	38.2
209.09634	8.2
211.07561	7.4
214.06206	8.4
215.07068	29.0
217.08638	9.3
225.05415	22.4
227.07176	6.1
227.10728	15.0
229.08612	85.5
231.06477	82.7
231.08511	6.3
232.07306	6.5
233.08093	65.5
245.08138	8.6
247.09689	16.4
250.14468	7.3
257.08084	90.8
261.14969	6.9
266.65405	5.7
275.09171	100.0
275.12036	10.3
287.16345	6.5
289.10745	36.9
293.10120	28.4
294.10666	5.8
305.17514	6.2
317.09976	9.4
379.10202	40.8
379.15323	11.8
379.19940	13.3
379.27097	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	377.1381
Annotation	CHEBI:69689
Peak:m/z	Relative Intensity
55.05507	2.3
57.99168	1.4
58.51505	1.5
61.36835	1.3
61.37236	1.4
67.05470	3.6
68.99784	2.0
69.07043	1.7
70.78490	5.2
77.82978	1.2
79.05477	4.0
81.07038	4.8
88.20658	1.5
91.05452	4.5
93.06976	2.2
95.04945	5.3
95.08595	5.5
98.21367	1.7
103.05476	1.4
105.07013	5.2
107.04947	63.0
107.08574	2.6
109.10132	3.0
117.06989	2.5
119.04972	1.7
119.08557	3.6
120.05758	2.1
121.06541	1.9
121.10133	3.3
123.04418	22.4
128.64345	1.4
129.06961	1.5
131.08557	3.2
133.06491	2.4
133.10133	2.1
137.05952	2.2
145.10106	2.6
147.04405	9.2
148.05182	25.1
149.05984	11.5
159.11722	2.0
161.05991	11.4
163.03915	1.4
165.07016	1.6
167.08432	1.5
171.11743	2.4
183.08069	2.7
195.08115	1.9
197.09668	2.3
198.06766	2.0
211.07571	4.8
223.07561	2.4
225.09111	5.3
226.06157	2.3
244.38640	1.5
253.08568	6.2
254.09366	12.7
255.10123	2.6
271.09631	20.0
377.13821	100.0
378.14172	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.44751	0.8
53.03927	1.6
57.02188	0.8
57.03442	7.4
61.02922	4.1
69.03431	14.5
70.54301	2.9
70.54641	0.9
71.01345	2.8
71.04979	3.4
73.02902	1.4
73.13484	0.9
73.97453	0.9
75.04465	2.7
81.03405	2.9
82.34014	0.7
99.04437	5.2
100.74118	0.8
117.05478	1.1
145.07599	3.3
170.07150	2.5
172.08690	29.6
190.09825	1.1
198.06621	6.1
200.08197	3.9
216.07698	15.3
218.09285	1.4
243.08771	82.6
244.06998	1.3
244.09227	1.4
259.38480	0.9
265.10825	1.0
359.13547	4.4
377.14563	100.0
378.14880	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	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68746	0.5
55.05499	1.4
56.21190	0.5
57.07098	0.4
65.20798	0.4
67.05499	2.1
68.99046	0.4
69.07063	7.7
70.10188	0.9
70.10583	0.9
71.08630	4.1
79.05478	1.0
81.07042	2.4
82.20016	0.4
83.04971	0.4
83.08638	0.7
84.08147	3.2
84.08595	0.6
86.09702	100.0
87.10026	1.0
91.05476	0.8
93.07045	1.8
95.08603	2.4
99.08067	1.4
105.07032	1.0
107.08589	1.0
109.06487	2.0
109.10143	0.7
112.07596	6.6
119.08549	0.7
125.49586	0.4
131.08598	0.4
140.10681	0.9
154.12292	1.5
165.12744	3.1
168.13818	0.9
172.42122	0.4
173.51071	0.4
196.17224	0.4
218.71222	0.4
222.18483	0.4
237.72226	0.4
252.19530	1.1
278.24759	5.8
291.23178	2.5
305.70795	0.5
355.86963	0.4
358.30850	0.5
376.32083	29.2
377.32394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2115
Annotation	Pancritamine
Peak:m/z	Relative Intensity
52.52359	1.1
53.03941	1.6
54.03436	1.0
55.01864	1.7
55.05505	2.7
57.03411	2.0
67.05490	5.3
68.01376	1.3
68.05018	2.5
69.07069	13.2
70.06564	1.5
70.24818	4.3
79.05486	8.5
80.05003	4.2
81.06644	1.3
81.07054	14.2
82.06571	2.5
83.04939	1.4
83.08610	2.3
84.04487	1.7
85.02872	2.4
91.05476	11.5
93.07018	6.7
94.02933	4.1
95.04958	2.6
95.08611	12.7
96.04511	5.3
96.33787	1.1
97.02873	2.1
103.05400	1.1
105.07022	44.4
106.06541	1.1
106.07373	1.6
107.08576	11.1
109.10125	5.5
110.06062	6.3
112.03967	2.1
114.01884	10.1
115.05370	1.2
117.07009	7.3
118.06506	1.3
119.08579	32.1
121.10161	6.1
123.04439	2.4
123.11681	6.0
124.03905	3.1
124.07548	1.5
126.05482	4.0
128.03415	5.8
128.06201	1.7
129.06998	1.2
130.07771	3.3
131.08575	12.8
133.10124	26.0
134.05960	1.1
135.11682	2.4
136.03941	2.2
136.07581	1.4
138.01804	2.2
138.05530	3.0
140.03413	6.9
143.08521	2.5
144.09328	2.3
145.08926	2.2
145.10103	46.8
146.09605	1.3
146.10782	1.1
147.11671	11.8
150.05470	1.5
150.09154	1.3
151.03880	9.0
152.03456	1.8
154.04938	5.3
157.10127	2.1
158.04529	2.0
158.09625	2.0
158.10880	1.7
159.08099	1.2
159.10451	1.8
159.11694	19.8
160.07472	1.3
160.11224	1.8
160.12473	3.4
161.13268	5.7
162.05501	2.5
162.09094	1.4
166.04979	1.5
170.04506	2.2
171.11751	2.4
173.13254	8.3
175.14816	40.7
176.15424	1.3
178.04965	3.5
180.06580	3.4
183.06441	1.1
186.09186	1.4
186.14044	1.6
188.05566	10.5
190.08574	1.1
192.06610	1.2
198.08859	1.3
198.91045	1.0
199.09616	1.8
200.10664	1.4
201.16373	57.2
202.06950	1.7
202.16914	1.4
211.09708	1.4
215.09496	1.4
216.10185	1.4
223.09801	1.1
228.08412	1.3
228.17650	1.3
246.11269	2.0
252.08553	6.5
254.10239	3.5
258.18607	2.2
260.12857	3.4
284.16327	3.1
302.17456	11.8
310.54968	1.1
334.16537	4.2
358.19995	1.9
376.21155	100.0
377.21567	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	375.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34576	1.2
53.03920	1.4
55.01860	5.1
55.05492	4.3
55.93182	1.2
56.96554	2.5
57.03414	5.4
61.02913	2.5
66.54424	1.2
67.05492	3.9
69.03412	5.9
70.06586	27.0
70.79273	1.2
71.56242	1.8
72.08148	100.0
73.02910	2.8
79.05479	3.4
81.03394	3.7
83.01322	2.1
83.04978	1.7
84.04494	3.2
84.08134	10.8
85.02904	7.2
86.09689	5.4
86.56844	1.4
89.10780	2.8
91.05463	3.4
95.01308	5.9
95.04957	5.3
96.04479	1.9
97.02892	3.3
97.06506	2.0
98.06031	5.4
99.04498	1.5
107.04924	1.9
109.02846	1.5
109.06519	1.4
111.04438	2.5
113.02359	1.7
113.05984	1.8
115.08655	2.6
119.04935	2.2
121.06583	1.8
123.04399	7.9
125.02335	1.5
125.05968	1.4
127.03906	49.5
133.02803	1.7
134.06169	1.7
134.99673	1.8
135.04367	1.5
136.07643	2.9
137.05962	5.1
138.09113	2.6
139.03868	2.3
141.01802	1.5
146.05989	2.1
147.04396	4.8
147.11266	1.5
148.07576	2.4
152.07066	1.8
154.08583	2.2
164.07016	1.8
166.08618	3.6
167.06984	2.0
168.06480	1.7
170.08119	2.0
172.09668	4.1
176.07060	3.3
177.07822	1.6
180.06485	5.5
181.04839	2.0
182.08128	2.8
192.06584	1.9
194.11739	3.2
198.07607	4.0
208.09651	3.1
221.12857	3.3
222.11243	4.9
230.08147	2.4
231.05379	1.8
237.02913	2.3
239.13948	1.5
249.12355	1.4
255.05450	2.1
303.13388	1.4
311.12415	3.7
321.14362	1.8
339.15628	2.5
357.16486	8.0
358.15152	2.3
375.12418	4.3
375.17572	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	375.1434
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.16332	0.5
53.03936	1.0
55.01862	2.1
55.29543	0.5
62.80066	0.7
65.03934	2.7
67.05508	2.6
69.03417	1.3
69.80547	3.6
72.08152	0.6
79.05483	1.0
81.03410	9.1
81.07033	1.8
85.02908	3.6
86.03229	0.7
86.09694	0.9
87.00821	1.7
91.05479	6.6
92.05811	2.7
94.04216	1.3
95.04944	2.8
95.08591	0.7
97.02894	0.8
103.05451	0.5
105.01849	1.7
105.07032	0.7
107.04898	0.7
107.08593	1.1
108.02097	3.3
109.02850	1.6
109.06536	1.7
111.04442	1.8
115.05457	4.1
117.06995	1.3
119.08552	0.6
120.08120	0.8
122.03643	2.9
125.05988	1.5
127.03919	1.8
128.04286	0.7
128.06252	3.1
129.07005	9.7
131.04939	1.4
135.04404	0.8
136.07603	0.8
137.05968	47.0
138.09209	0.7
141.05472	6.0
143.04924	4.9
144.05801	0.7
145.05099	0.6
145.06456	2.8
147.08040	2.5
148.03905	2.5
148.04993	0.6
149.05994	0.7
151.03899	100.0
151.05005	8.5
152.04230	1.4
153.05446	3.2
155.60556	0.6
157.06480	8.9
159.03012	0.6
159.04381	1.2
160.05197	2.4
161.06004	2.4
161.09610	1.2
165.05473	1.6
166.04961	1.0
167.06995	0.7
171.04410	4.9
173.06042	0.6
174.06746	0.7
175.07556	5.7
176.04694	1.1
177.05383	0.6
177.09140	0.6
187.07544	1.6
188.04666	1.9
189.07275	1.0
189.09064	8.3
191.07031	7.6
191.08572	0.8
203.07007	24.4
204.07158	0.5
205.08635	2.9
215.07011	2.1
219.08063	1.6
221.08076	6.1
233.07974	3.4
234.06770	0.7
235.07567	1.2
243.06506	1.2
247.07649	1.9
261.09045	1.0
263.06927	1.2
264.07736	1.0
265.08414	1.0
267.10126	0.8
277.08548	1.1
278.09314	0.8
279.10156	2.0
285.07465	0.7
286.08185	3.9
289.08600	1.7
292.79623	0.6
295.09787	1.6
301.11838	2.7
306.08804	1.0
307.09631	3.7
309.11111	1.4
311.12854	1.4
312.09802	1.2
321.11252	3.6
326.11844	0.7
327.12305	6.9
339.12042	3.9
357.13431	4.6
375.11688	0.8
397.78015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01860	1.8
65.03938	3.1
67.05488	1.9
69.03400	0.6
70.05395	2.5
70.06606	0.6
79.05477	1.5
81.03407	7.3
81.07044	0.8
81.28460	0.6
85.61501	0.6
86.09643	0.6
90.80077	0.5
91.05474	1.8
93.03405	0.8
94.04190	1.6
95.04964	2.8
97.02872	0.7
103.05471	0.5
105.07008	0.7
107.04947	1.1
108.02080	2.7
109.02849	1.1
109.06502	1.9
111.04417	2.6
115.05434	3.9
117.06976	1.6
119.08501	0.5
122.03636	3.6
123.04476	0.6
125.05989	1.8
127.04001	0.8
128.06180	4.1
129.06998	8.7
131.04913	1.0
135.04446	0.6
137.05968	49.8
141.05441	4.7
143.04915	3.8
145.06485	2.0
147.08047	1.8
149.05969	0.6
151.03897	100.0
151.05003	8.6
152.04202	1.5
153.05472	3.1
157.06480	9.6
159.04440	0.7
160.05183	3.2
161.05952	1.7
161.09627	1.4
163.07539	0.9
165.05479	2.1
167.07010	0.6
171.04393	3.8
174.06801	1.2
175.07497	5.2
176.04715	1.2
177.09000	0.6
187.07509	1.9
188.04758	1.2
189.05505	0.7
189.09071	8.2
191.07054	7.0
191.08633	1.1
203.07010	26.9
205.08575	3.5
207.08054	0.9
215.06987	1.5
219.08073	1.8
221.08040	4.3
225.05473	0.5
233.08020	3.4
234.06711	0.6
235.07671	1.4
236.08319	0.7
241.97704	0.6
243.06590	1.6
246.06726	0.8
247.07573	1.3
249.05577	0.6
249.09029	1.1
251.10828	0.6
259.09897	0.6
261.09030	1.0
263.06934	1.2
264.07959	0.7
271.06042	1.0
275.07047	0.7
279.10168	3.0
285.07596	0.7
286.08365	3.3
289.08524	1.0
293.08246	0.7
295.09647	2.1
306.08728	0.9
307.09659	3.6
308.10315	0.7
309.11234	1.5
311.12759	1.1
321.11212	3.4
327.12277	7.7
339.12302	5.4
339.21863	0.6
357.13129	5.1
375.14514	1.5
381.52322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.02390	0.7
53.03938	0.9
54.13606	0.6
55.01862	2.0
65.03934	2.5
67.05491	2.5
69.03430	0.9
69.60790	2.3
69.61217	2.3
79.05498	1.5
81.03416	8.3
81.07043	1.4
91.05478	1.7
93.07026	1.3
94.04188	1.5
95.04974	1.9
97.06510	0.9
98.21512	0.7
102.30185	0.6
103.05454	0.9
107.04941	0.9
108.02095	2.5
109.02842	1.0
109.06509	3.0
111.04469	3.2
115.05439	2.8
117.07002	1.2
122.03636	2.8
125.05985	1.7
128.06178	3.5
129.07004	8.7
130.15654	0.7
131.04985	1.6
134.06033	1.0
136.01485	0.6
137.05971	44.5
138.06277	0.7
139.03886	0.7
141.05463	4.4
143.04924	4.0
145.06488	1.8
147.08046	2.5
149.05940	1.1
151.03900	100.0
151.04994	8.1
152.04214	1.5
152.07053	1.5
153.05423	2.9
157.06485	10.0
159.04349	0.8
160.05228	1.8
161.05989	2.8
161.09595	1.3
163.07559	1.1
165.05496	1.7
167.07018	1.7
171.04440	3.4
175.07524	5.3
176.04671	1.4
177.05432	0.8
177.09114	0.7
181.04875	1.0
187.07510	1.3
188.04735	1.1
188.55045	0.7
189.07303	1.0
189.09065	7.5
190.06339	0.6
191.07007	7.3
203.07021	24.6
204.07480	0.7
205.08562	4.6
207.14595	0.7
213.39632	0.8
215.07027	1.9
215.28021	0.7
219.08148	0.7
220.93405	0.6
221.08023	6.0
233.08055	4.3
234.06773	0.8
235.07671	0.9
243.06511	1.4
247.07526	1.2
251.07149	0.7
261.09210	1.8
263.07065	1.2
264.07785	1.0
265.08539	0.7
267.10056	1.1
277.08499	1.4
278.09286	0.8
279.10208	1.8
285.07645	1.1
286.08298	2.5
289.08557	1.4
295.09747	2.4
306.08798	0.7
307.09506	3.5
309.11203	1.2
311.12793	1.6
321.11099	3.6
327.12244	7.4
339.12222	5.3
357.13190	4.9
375.14484	1.3
375.19205	1.2
386.06171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.95481	1.0
55.01860	3.6
57.03428	2.3
61.02914	2.9
65.03925	2.4
69.03087	1.4
69.03430	16.2
70.96527	0.9
71.04977	1.7
73.02905	3.0
81.03415	12.1
84.69186	1.0
85.02903	48.4
86.09680	1.8
87.00828	19.4
91.05482	100.0
92.05821	1.3
96.01652	0.9
96.87781	1.0
97.02892	15.4
97.53483	0.9
98.20636	2.2
99.04450	6.4
105.01863	23.8
105.07072	1.2
108.04465	1.2
109.02882	12.5
117.01832	1.7
126.05532	1.2
127.03920	32.5
129.01825	1.5
129.06917	1.4
133.06566	1.0
137.05975	2.1
145.04968	16.1
151.03893	4.0
157.06497	1.2
159.02887	5.7
171.03062	1.2
171.08009	2.1
189.03960	2.1
199.07521	1.8
230.29033	1.5
231.04987	8.3
387.73337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89817	0.2
53.03938	1.3
55.01861	0.6
57.03426	0.4
68.99786	0.5
69.03433	2.3
70.82478	0.5
70.82848	0.5
71.04988	0.3
73.02898	0.8
74.09650	0.2
74.23908	0.2
81.03414	2.6
85.02906	3.7
86.09710	0.4
87.00842	1.8
96.59561	0.2
97.02887	1.3
99.04456	0.7
105.01851	1.0
109.02865	2.6
116.17730	0.3
120.05503	0.2
124.02978	0.2
127.03910	100.0
128.04237	0.7
129.01881	0.3
143.86874	0.3
145.04901	1.1
147.02899	0.3
159.02858	1.4
223.02692	0.3
276.98489	0.3
375.12793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.8
57.03439	1.2
61.02919	1.7
62.55218	0.6
66.92858	0.6
67.05492	1.2
69.03423	4.5
70.06581	1.4
70.69685	1.8
71.04980	1.1
72.08144	1.0
73.02912	1.1
78.95973	0.6
79.05474	0.8
80.48048	0.5
81.03410	3.3
81.05785	0.7
81.07053	1.0
84.04487	0.8
84.08121	0.9
85.02896	17.0
86.06017	0.6
86.09706	1.0
87.04455	0.6
89.03918	5.7
91.03969	0.7
91.05470	1.4
93.07072	0.8
95.04977	1.0
97.02881	4.6
99.04440	0.8
100.07604	2.6
109.02876	1.4
109.10135	0.8
117.03372	17.6
119.08556	1.0
120.63414	0.6
121.06506	1.0
127.03903	2.4
129.10153	0.8
130.05009	1.2
134.03604	1.9
135.04413	2.7
137.25562	0.6
145.02829	46.6
145.04909	2.7
146.03192	1.5
147.07790	0.6
149.05977	8.1
153.05403	1.1
158.83464	0.7
160.45802	0.6
162.03151	0.8
163.03917	4.3
171.17891	0.6
174.52495	0.6
177.05452	100.0
178.05766	1.7
180.08640	0.9
186.05521	0.9
193.12167	1.5
195.06508	37.7
196.06850	1.1
210.15048	0.8
212.09074	0.7
226.17935	0.6
244.19011	1.1
267.15933	1.0
288.34732	0.7
288.68219	0.7
314.11905	0.6
374.14169	1.1
374.18866	1.0
374.30136	4.3
375.11670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03429	4.0
57.89921	0.4
69.03422	1.3
70.06586	1.6
71.01357	3.9
71.55444	0.8
73.02920	5.7
75.04483	0.8
78.03453	3.3
80.05002	3.5
81.03437	0.7
81.22090	0.5
83.01334	0.7
84.04504	0.7
85.02432	0.8
85.02902	9.6
86.09702	2.1
95.01327	6.4
96.04483	3.7
97.02882	1.2
99.00809	1.0
101.02353	1.3
102.05546	0.6
103.03938	1.3
106.02905	19.9
110.07122	0.7
113.02355	3.8
116.07024	0.5
124.03944	100.0
125.04307	1.2
127.03950	3.3
131.03409	2.2
137.05898	0.6
141.01811	10.7
147.04391	0.9
149.12991	0.5
159.02895	1.6
180.06532	13.6
198.07605	79.2
199.61584	0.5
217.24072	0.5
226.08180	0.5
229.01843	0.6
268.45416	0.6
294.52701	0.6
303.15359	0.5
356.09845	0.6
374.10663	4.2
374.15182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01883	5.3
55.05508	24.5
56.96569	7.7
57.03418	5.9
60.16352	3.0
65.03941	6.4
67.05164	5.5
67.05504	54.9
69.03413	6.7
69.07079	16.6
70.06603	4.4
71.05011	4.3
71.08636	10.5
79.05496	61.4
81.03417	6.8
81.07050	89.0
82.05732	3.9
83.04984	5.8
83.08614	9.4
85.02905	9.8
91.05471	55.0
93.07037	72.8
95.04975	16.7
95.08596	53.1
97.06545	10.9
97.10104	4.7
103.05464	4.3
105.07035	83.9
107.04964	17.7
107.08588	76.6
109.02809	4.1
109.06517	23.7
109.10145	32.4
111.04452	15.3
111.08105	4.3
115.05461	8.2
116.98592	5.3
117.06990	27.5
119.08566	52.0
121.06509	8.0
121.10138	43.4
123.04486	4.0
123.08081	5.6
123.11794	6.7
124.59663	2.9
125.05992	97.8
125.09651	6.8
127.03910	5.6
128.06187	8.0
129.06950	20.2
130.93790	3.6
131.08571	55.1
133.06474	4.3
133.10139	44.9
135.08054	8.6
135.11665	24.9
136.06151	3.6
137.05977	14.8
137.09645	3.7
139.03889	11.4
141.06956	5.9
142.07819	3.6
143.08546	32.4
145.06465	3.7
145.10130	53.9
147.08025	9.4
147.11691	46.9
149.05969	4.4
149.09560	3.2
149.13246	8.3
151.03947	3.3
153.05461	77.5
153.76183	3.1
155.07050	34.9
155.08571	16.2
157.10144	24.7
159.08020	6.8
159.11690	58.2
161.09601	5.7
161.13234	26.3
163.07611	3.3
165.06961	6.0
165.12729	4.8
167.07063	10.3
167.08571	6.8
168.09361	4.3
169.10054	15.4
171.11728	14.7
173.09618	5.4
173.13275	20.6
175.07512	4.4
175.11279	4.6
175.14810	26.7
177.09114	7.3
179.07126	4.2
181.08698	6.7
181.10181	11.8
183.08310	3.3
183.11703	23.0
185.13254	19.2
187.11177	6.5
187.14836	13.1
189.09157	5.5
189.16429	14.7
193.08588	8.1
195.11720	15.6
197.13292	13.5
199.11256	6.9
199.14815	19.3
201.05565	3.6
201.12753	7.7
201.16385	47.4
203.17915	4.8
209.09689	4.7
209.13286	12.7
211.14816	11.9
213.16301	6.8
215.10713	5.4
215.17999	14.3
217.12196	8.4
221.13292	8.2
223.14815	8.8
225.16389	5.3
227.10643	4.2
227.14375	4.2
229.12190	6.8
233.15562	3.2
235.07576	3.7
235.14937	6.0
237.16418	6.2
241.12251	4.8
243.13824	5.5
247.13176	4.9
249.16296	6.9
251.17947	7.2
253.19543	7.8
255.13745	10.9
267.11163	3.6
267.13901	4.2
277.19467	16.8
278.20026	4.3
281.15311	8.2
291.21091	21.2
295.17050	6.2
295.20474	7.6
301.19305	3.5
309.11209	5.1
309.22159	15.6
313.11676	8.8
319.20557	16.6
326.66595	3.6
327.23297	4.8
337.10620	3.5
337.21606	100.0
355.11963	4.9
355.22665	100.0
356.22873	4.5
373.13708	14.0
373.23770	38.4
374.14758	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	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.9
55.05505	20.4
56.98271	4.4
57.03433	30.4
59.81040	3.9
67.05504	85.8
69.03432	56.2
71.04980	12.4
71.58307	6.6
76.30621	3.8
79.05486	11.7
81.03418	76.1
81.07049	18.0
83.04970	29.0
83.08598	6.1
85.02910	28.2
87.04456	6.4
91.05483	13.7
93.07035	7.5
95.08577	4.2
97.02888	30.0
97.10156	6.0
99.04449	13.9
107.08585	6.7
109.02884	20.9
109.10164	84.0
111.04463	13.3
111.43418	4.2
113.02348	4.1
117.06076	4.2
119.08597	11.7
125.09633	4.9
127.03938	28.0
127.29172	4.6
129.05469	9.6
151.11009	4.2
155.10661	8.1
173.11742	62.1
189.11221	10.3
229.14302	12.1
238.25887	4.6
253.75145	4.4
295.32581	4.5
299.14935	12.8
326.16959	4.1
373.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61670	0.9
54.92076	1.0
55.01882	2.4
55.05505	1.5
56.05021	1.4
57.03431	1.0
67.05503	1.9
69.03425	2.7
69.07057	3.3
70.06587	4.2
71.57116	1.9
74.49232	0.9
79.05498	1.6
80.05042	1.2
81.03413	3.0
81.07094	1.7
83.06097	16.1
84.04500	18.7
84.04980	1.8
84.08134	3.9
85.02892	1.9
86.06077	1.1
86.09703	45.6
91.05466	2.1
95.01389	1.0
95.04980	1.2
96.04484	1.5
101.07163	1.9
105.07022	1.0
107.08659	1.1
108.04477	6.8
119.08524	1.5
122.06046	2.6
122.09666	3.4
129.06627	4.4
129.10278	1.5
130.05038	1.4
132.10213	14.6
137.05998	5.1
138.05455	2.1
140.03401	1.5
140.07103	1.9
141.06612	1.8
143.11743	1.1
145.02829	1.7
146.06010	3.1
148.07603	1.7
149.06064	1.5
151.03911	2.4
152.10706	1.8
153.05441	1.3
164.07024	0.9
168.06616	4.2
173.06001	1.8
174.05490	2.1
177.05528	1.0
190.16168	1.2
196.11339	1.1
196.14427	14.4
197.12845	9.7
201.05374	6.9
210.07838	1.3
211.08656	8.8
211.12343	2.4
212.09372	2.6
213.10202	3.8
214.15419	5.0
219.06549	1.9
220.96629	1.3
221.10762	1.8
222.09171	3.7
222.11325	1.1
223.08626	2.1
223.12422	1.1
224.10735	3.2
224.13960	4.8
225.10254	12.2
225.12280	1.5
226.10779	1.2
239.11783	16.7
240.08844	2.5
240.12431	1.4
241.09734	2.4
241.13414	1.8
242.15060	4.3
249.10556	1.2
250.08661	2.2
251.08221	2.8
252.09032	4.3
253.09688	9.9
257.12924	1.3
267.11288	19.6
269.12796	1.7
270.13354	1.8
284.10992	3.4
285.12213	2.1
295.10779	8.5
313.11807	50.2
314.12158	3.6
322.62878	1.1
323.09576	1.4
325.10687	2.1
341.11191	7.6
355.12885	3.9
355.23331	7.0
359.12302	4.3
373.13950	100.0
373.18228	8.8
374.14117	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	372.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44675	0.6
56.96297	0.8
56.96559	10.6
62.24034	0.5
67.54381	0.6
69.07047	0.8
69.17069	0.5
69.24189	5.5
69.24598	1.2
70.06596	0.6
70.11028	0.5
79.05512	0.8
81.07052	0.9
98.97601	0.8
128.98592	2.5
134.99629	1.2
146.99619	3.5
149.01176	1.0
149.02707	0.6
157.01776	0.7
165.00693	1.8
167.02316	0.6
167.03802	0.7
171.03317	1.6
175.02768	1.0
183.03114	0.6
185.04829	2.6
187.02707	0.9
189.04337	2.1
193.03851	0.8
197.04991	0.9
199.06406	3.4
201.04324	0.9
203.05881	4.9
205.07512	0.9
211.06415	1.4
212.57423	0.5
213.07779	0.7
215.05986	0.7
217.07440	7.4
221.06917	0.9
223.02760	2.3
223.08514	0.8
225.08072	0.8
226.05257	0.7
229.07564	0.7
231.06921	0.7
237.04274	2.7
241.03763	1.2
249.08067	0.9
253.11157	1.0
255.05388	1.1
267.09064	2.0
271.12177	1.1
279.09012	1.3
280.09879	2.7
281.10516	1.0
285.10098	1.7
297.10205	0.8
298.10867	1.4
307.15744	2.3
325.17249	0.7
331.15662	15.0
349.16824	100.0
350.17346	3.3
367.13837	0.7
367.17987	6.9
372.18463	15.8
372.28815	2.2
372.34695	2.3
373.18939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
66.89304	0.5
67.05479	1.4
69.03432	1.0
69.07056	2.1
69.38614	0.5
70.06586	1.7
71.44376	0.5
71.57424	0.8
71.57786	0.9
81.03397	1.1
83.06099	1.8
84.04486	2.5
84.08110	1.3
85.02888	1.0
86.09701	12.1
86.10183	1.1
91.05467	2.1
94.06541	0.8
95.04981	1.5
97.02877	1.1
98.06017	0.6
108.04459	5.0
119.04917	0.8
120.04420	0.7
121.02807	0.8
122.06045	0.8
129.10222	1.2
132.08105	0.8
132.10196	1.6
137.05968	1.7
138.05464	1.3
140.07072	1.7
143.11833	0.5
146.06001	2.3
147.06734	0.5
148.03905	0.6
148.07523	1.3
149.05904	0.8
166.05051	1.2
168.06563	3.9
173.05988	0.9
174.05536	1.4
181.08832	1.2
185.20845	0.6
192.06763	0.6
193.07545	0.6
194.09657	1.0
196.09822	0.8
196.14470	1.3
197.10822	0.9
197.12825	1.1
201.05418	6.9
206.08105	1.3
210.07829	1.2
211.08649	9.5
211.12143	2.5
212.09402	2.6
213.10280	1.5
214.15552	0.8
219.06468	0.8
221.10756	2.1
222.09145	3.0
223.08708	2.1
223.12091	0.6
224.10674	3.2
225.10202	12.9
226.08908	0.6
226.10970	2.2
227.08257	0.9
235.30328	0.6
237.10342	0.7
238.10912	0.6
239.08067	1.6
239.09183	0.9
239.11766	16.2
240.08777	1.5
240.12410	1.6
241.09724	2.5
241.13495	0.9
242.15085	1.5
249.10181	1.9
250.08653	2.0
251.08122	2.1
251.11752	0.9
252.08723	4.1
253.09741	8.7
254.10553	1.2
257.12781	0.9
267.11292	19.6
268.11765	1.4
269.12900	2.3
281.08963	0.7
283.10461	0.6
284.11441	0.7
285.12286	2.3
293.08127	0.6
295.10721	8.3
305.08542	0.6
307.09641	1.1
313.11810	47.7
314.12198	1.9
323.10175	1.0
325.10703	2.0
327.44879	0.5
341.11331	7.6
355.12811	2.2
359.12396	3.3
373.13947	100.0
373.18015	4.4
374.14185	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	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
69.03437	0.6
70.06587	0.7
70.43582	0.3
70.81902	0.7
72.08153	0.4
79.05495	1.9
81.03413	0.7
83.04971	0.2
84.08142	0.3
84.71042	0.3
85.02896	0.9
86.09718	0.3
87.00816	0.3
91.05826	0.4
95.04962	0.6
97.02827	0.6
106.06550	100.0
107.06889	0.9
110.07169	0.6
118.06521	0.8
123.04493	0.3
123.90680	0.2
124.07570	0.7
128.08617	0.3
130.06549	0.4
152.58961	0.2
167.03407	0.4
210.11317	0.2
219.77342	0.2
301.06607	0.3
356.07211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.6
70.06583	6.1
70.20438	2.9
71.14304	7.9
72.08141	7.4
73.04730	3.5
75.55824	3.0
79.05473	5.1
84.04477	7.3
84.08122	5.5
85.02890	4.2
86.09689	4.4
86.51849	3.6
88.99084	3.2
91.05812	20.7
93.07034	11.8
97.02917	3.4
98.97636	3.4
106.06547	47.6
110.07163	7.5
117.02277	3.4
120.08086	3.5
121.05662	6.6
121.06506	100.0
124.07532	4.3
135.08075	3.5
138.09120	11.9
150.05482	4.0
163.07597	3.8
175.25807	3.0
180.03546	3.1
187.40857	3.6
194.51599	3.0
206.75145	3.1
210.11240	62.3
235.06122	3.6
269.97931	7.1
286.51407	3.6
294.23807	3.3
306.86890	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04547	3.8
70.82864	11.0
74.90981	3.4
74.92165	3.6
85.02885	4.9
93.07052	7.5
106.06565	5.8
121.06492	100.0
138.09114	21.5
210.11250	73.0
250.88889	3.4
275.68735	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	372.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
56.05016	0.2
56.96548	0.3
57.03437	0.3
61.02919	0.3
67.05497	0.4
69.03420	0.9
70.06576	1.2
71.56812	0.3
72.08154	0.3
79.05487	2.0
81.03410	0.9
84.04477	0.4
84.08138	0.7
85.02901	1.2
86.09720	0.4
87.00801	0.5
91.05792	0.8
95.04962	0.7
95.06092	0.4
96.04529	0.3
97.02881	0.9
105.06995	0.3
105.25176	0.2
106.06548	100.0
107.06882	1.1
108.08154	0.3
110.07152	1.6
116.07133	0.3
118.06536	1.0
119.04967	0.4
120.08134	0.4
121.06458	0.3
123.04424	0.9
124.07597	0.7
127.03851	0.3
129.10182	0.4
130.06528	0.4
133.25728	0.3
135.04375	0.3
137.06067	0.3
138.09119	0.3
139.03915	0.5
147.04333	0.4
148.07558	0.3
152.07069	0.4
160.08856	0.2
180.06511	0.2
189.00754	0.3
192.06438	0.2
210.11327	0.4
212.01363	0.3
218.08299	0.3
247.98956	0.2
303.08484	0.3
354.20126	0.4
356.06808	0.4
372.12643	0.4
372.21185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86790	3.8
55.05509	23.0
57.07074	12.0
63.05603	4.8
63.77155	3.9
66.49817	3.9
67.05506	28.8
68.83096	4.3
69.03412	7.0
69.07063	23.4
70.16219	18.6
71.04991	5.8
79.05502	24.2
81.07060	42.7
83.04984	15.0
83.08609	8.7
91.05434	43.8
91.56911	4.5
93.06476	7.4
93.07037	95.8
95.04976	12.4
95.08598	50.7
97.06512	22.0
98.20737	4.7
101.05976	8.0
104.97256	4.6
105.07023	56.1
107.04967	12.0
107.08582	34.5
109.06499	6.6
109.09489	4.7
109.10133	27.3
115.05457	23.7
117.07011	100.0
119.08562	58.7
121.06461	5.9
121.10146	30.2
123.08044	15.0
123.11733	7.6
128.06245	6.7
129.05467	5.2
129.06999	13.2
130.07779	6.7
131.08583	32.8
133.10104	39.5
135.11707	9.2
139.07524	44.7
142.07782	10.2
143.08580	17.5
145.10095	44.0
147.11664	16.7
149.09601	8.9
155.08537	5.9
156.09367	7.0
157.10094	34.6
158.10934	7.8
159.11716	27.3
161.09605	8.5
161.13333	7.0
169.10121	12.6
171.11723	19.4
172.12585	4.6
173.13264	18.1
175.14827	17.2
181.00092	4.3
181.10161	10.8
183.11661	9.7
185.13252	13.3
187.14821	15.8
193.10117	4.9
195.11649	10.1
197.13258	14.8
209.13240	9.0
211.14764	7.1
213.12749	8.8
223.14659	4.6
225.16383	6.0
235.14876	4.9
261.22162	4.2
262.16360	4.8
299.91672	4.7
353.24750	11.8
371.16129	9.5
371.25830	20.4
388.95612	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01854	3.0
59.69288	2.7
67.05508	3.2
69.03413	6.1
69.72118	2.3
69.84351	16.7
73.64407	2.3
79.05466	10.9
81.07043	6.3
91.05471	12.1
94.04176	4.7
95.04956	4.9
97.02875	5.6
98.21496	3.1
99.76765	2.4
105.07003	4.2
107.04948	19.7
109.02831	6.2
109.06485	5.7
111.04399	3.5
115.05447	4.1
116.06174	3.5
117.06964	4.0
119.04954	2.8
119.08556	3.9
122.03651	13.8
123.04367	3.6
124.05198	3.9
125.05988	3.4
128.06213	9.6
129.06961	15.8
131.04909	3.6
131.08586	15.1
132.05696	2.9
135.08035	4.3
137.05968	100.0
138.06232	3.1
141.06982	8.4
143.04915	2.8
143.08594	3.1
144.05702	12.9
145.06474	6.4
145.10130	2.7
147.08038	4.4
149.05956	4.9
151.03935	3.3
151.07523	5.2
153.06982	3.8
155.08443	3.2
156.05672	25.4
156.09251	4.0
157.06448	6.7
159.04362	2.5
159.08055	24.2
161.05960	5.0
165.06905	2.9
167.07028	49.0
168.29872	3.0
169.06381	5.4
171.08031	5.6
172.05255	2.8
173.05965	3.6
174.06746	8.0
175.07587	13.0
177.05492	7.4
179.06953	3.5
179.08469	3.3
181.04910	2.7
181.06497	2.9
181.08685	2.6
183.11632	3.1
184.05205	4.6
184.08719	3.1
185.09576	3.7
187.07542	20.8
189.07039	5.0
189.09081	11.1
190.07780	7.8
193.10097	2.9
196.08934	2.7
197.05988	6.1
198.06686	2.8
199.07549	4.2
199.11237	12.7
202.06206	8.0
202.07832	4.4
203.06891	3.3
203.08553	11.0
203.10382	3.1
205.06464	2.5
205.08490	5.7
206.07254	5.0
207.08023	6.1
211.07521	7.5
212.08389	6.1
214.06129	3.0
215.06882	3.9
215.08693	6.6
217.06549	5.8
217.08565	65.2
218.07307	14.0
218.09009	3.0
219.07941	9.2
221.09581	11.8
221.11536	2.9
224.04669	5.0
226.06134	5.3
227.10590	12.6
231.08064	11.8
232.08894	2.9
233.09679	13.6
234.06752	9.0
235.07536	13.2
236.08139	4.1
237.05457	4.6
238.09726	3.7
239.07014	17.0
240.07664	2.9
241.08501	18.4
242.05713	6.0
245.11769	4.9
246.06775	6.0
247.07448	6.4
247.09647	26.5
248.08286	6.2
249.09120	22.8
250.09789	8.3
251.06993	8.7
251.10399	3.3
252.07829	13.1
255.06572	3.7
256.03653	4.0
257.08139	4.4
260.08337	8.7
261.09097	24.0
262.06311	4.2
262.09552	4.6
263.07031	17.0
265.08542	7.1
266.09293	6.5
269.08072	11.0
271.05969	7.0
277.08517	20.2
278.09390	16.1
279.06580	7.5
279.10056	5.4
280.07245	5.7
281.11685	7.5
283.09662	3.8
285.07535	44.9
286.08264	7.7
289.08557	9.9
290.09268	3.1
291.06558	3.3
291.10123	7.0
292.10806	4.5
293.07956	8.2
293.11685	17.5
294.08798	4.8
295.09595	3.9
300.09900	48.7
301.10526	18.1
306.08768	9.0
307.09598	7.6
309.11163	16.4
311.09103	6.5
313.10757	13.1
321.11255	28.3
322.11667	4.5
323.09061	11.4
326.11444	21.0
338.11356	7.6
339.11899	4.6
340.18359	3.1
341.13846	11.7
353.13785	54.1
354.14096	3.8
371.14822	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
57.41809	2.5
67.05494	4.8
69.30484	17.3
69.30909	12.7
71.04983	4.0
75.00328	3.2
79.05482	11.2
81.07044	7.8
91.05481	10.5
94.04169	4.3
95.04951	6.5
95.08590	3.4
95.48772	2.7
105.03360	3.1
105.07023	2.9
107.04942	18.9
109.06488	3.6
111.04384	3.9
115.05466	4.1
119.04942	5.6
121.06516	3.6
122.03622	8.7
123.04405	4.9
124.05181	6.4
129.06961	12.2
131.04878	4.0
131.08556	11.0
137.05977	100.0
139.62468	2.9
141.07021	7.2
144.05678	10.8
145.06552	5.7
147.04437	4.2
147.11667	2.9
149.05998	3.8
151.07465	5.4
152.04617	2.9
156.05698	19.1
157.06447	7.2
158.07262	3.6
159.08034	16.6
160.05116	5.4
161.05867	3.6
167.07050	45.3
169.06435	4.6
172.05186	4.8
174.06729	8.7
175.07590	14.6
177.05489	8.6
178.07770	5.6
181.06419	5.9
184.05266	2.8
185.06052	2.9
187.07480	16.0
189.07108	4.5
189.09090	4.1
191.08611	3.9
193.08618	3.3
197.05836	3.5
201.08986	4.1
202.06062	6.3
202.07814	4.4
203.08510	9.0
205.08495	6.2
206.07246	4.7
207.08044	4.8
211.07585	4.4
215.06807	3.1
215.08580	8.9
217.06552	5.6
217.08594	68.8
218.07158	16.5
219.08073	7.3
219.10135	7.9
221.09639	9.6
231.08066	9.9
232.08807	4.4
233.09645	14.2
234.06750	11.6
235.07533	13.0
237.05479	3.9
239.07016	16.8
241.08716	20.0
242.05721	4.3
246.06920	5.8
247.07468	6.4
247.09697	23.9
248.08252	5.8
249.09042	21.5
250.09831	5.1
251.07074	7.8
251.10631	3.9
252.07797	13.4
256.03458	3.1
257.08041	4.3
260.08310	5.7
261.09091	25.4
262.06250	4.1
262.09567	4.1
263.07037	11.9
264.07724	5.3
266.09299	10.5
269.08069	10.3
271.06027	6.8
277.08545	20.1
278.09326	15.6
279.09949	4.3
280.07169	5.4
281.11761	9.6
285.07599	44.4
286.08078	3.9
289.08456	8.4
291.09894	4.2
292.06937	3.3
293.08096	10.2
293.11682	19.5
294.09000	4.7
295.09607	3.6
300.09946	41.2
301.10770	15.0
306.08850	10.2
307.09583	10.7
309.11127	15.7
313.10663	12.6
321.11224	36.0
322.11887	5.8
323.09094	9.9
326.11505	15.0
338.11469	7.1
339.12195	6.3
341.13876	9.9
353.09793	3.7
353.13892	45.1
354.14377	3.1
371.14923	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03602	2.1
53.03934	3.1
55.01865	3.3
55.05498	4.2
65.03924	2.4
67.05504	10.8
69.03410	4.4
69.07061	5.6
70.26078	8.3
71.04969	3.7
77.78501	1.8
79.05493	16.7
81.03389	2.5
81.07048	14.2
83.04980	3.0
83.08615	3.0
91.05407	14.2
93.07029	8.5
94.04179	7.8
95.04956	7.3
95.08605	8.3
97.10176	1.8
103.05431	3.0
105.07021	6.2
107.04951	20.5
107.08589	6.1
109.06519	5.4
109.10126	7.0
111.13806	2.0
115.05428	5.3
116.06263	3.9
117.03315	1.9
117.07047	2.9
119.04973	3.0
119.08562	7.1
121.06493	4.1
121.10149	4.9
122.03634	9.6
123.04414	3.0
124.05207	4.8
125.06000	3.7
125.09647	2.4
128.06200	5.7
129.07001	13.7
131.08574	12.4
133.02910	2.5
133.07613	1.8
133.10088	3.8
135.11688	3.2
137.05971	100.0
141.06987	5.8
144.05701	8.4
145.06502	7.4
147.04390	2.7
149.06007	5.4
151.03870	6.4
151.07552	4.7
153.05521	2.0
153.07074	2.4
156.05688	25.0
157.06454	8.5
158.07275	3.8
159.04453	2.7
159.08041	23.8
160.05238	3.3
161.02979	2.4
165.05467	2.5
165.06912	2.2
167.07031	53.5
167.08437	4.1
172.05147	4.9
173.06042	3.5
174.06755	7.0
175.07547	11.8
177.05479	5.7
178.07779	3.0
179.06995	2.1
184.05193	3.8
185.05994	2.4
186.06720	3.5
187.07477	18.3
189.07002	4.3
189.09074	7.6
190.07761	3.9
191.07002	2.7
191.08556	2.4
201.09160	4.4
202.06285	7.9
203.06892	2.6
203.08569	10.2
203.17891	2.9
205.08527	4.7
205.10208	3.5
206.07254	7.5
207.06369	3.2
207.08075	5.4
209.08015	2.3
211.07529	4.1
214.06342	2.1
215.06863	4.1
215.08673	5.5
217.06659	3.7
217.08580	61.3
218.07248	13.7
218.09067	3.6
219.08034	10.7
219.10052	4.1
221.09633	9.0
221.19026	2.2
223.07478	4.8
225.05350	2.8
226.06293	7.3
227.06932	2.7
231.08020	9.3
232.08797	5.6
233.06033	4.1
233.09605	18.1
234.06783	13.2
235.07509	14.7
237.05531	3.9
237.08972	2.7
239.06987	22.3
240.07889	2.6
241.08539	19.6
241.70193	2.3
242.05785	4.5
242.30217	2.4
246.06746	4.9
247.07458	6.2
247.09680	28.2
248.08080	3.1
249.09041	20.1
250.06299	2.5
250.09967	4.8
251.07111	6.2
252.07668	11.2
255.06555	3.9
256.03485	2.5
257.08017	5.7
260.08295	4.7
261.09055	27.7
262.06317	4.5
262.09732	4.1
263.06989	14.5
263.10611	3.4
264.07620	4.1
265.05289	2.5
265.08670	6.1
266.09335	5.9
269.07986	10.1
271.05984	11.4
274.06137	2.8
276.07764	2.7
277.08551	24.0
277.62387	2.4
278.09271	16.4
279.06610	5.1
279.09915	3.4
280.07214	6.7
281.08853	2.1
281.11642	11.0
283.09641	3.0
285.07541	47.3
286.08188	5.5
289.08594	9.9
290.09372	3.0
291.06567	3.1
291.09921	4.3
292.07489	3.8
292.11038	2.6
293.08093	6.9
293.11710	23.6
294.08932	3.6
295.09647	6.8
296.10410	2.4
298.08243	4.2
300.09885	55.5
301.10776	19.7
305.08167	2.8
306.09021	10.7
307.09592	7.4
308.06927	4.1
309.11212	22.0
311.09174	5.7
313.10675	15.7
321.11172	38.3
322.11832	5.6
323.09116	7.7
325.10675	3.3
326.11429	14.4
338.11462	7.7
339.12234	5.2
341.13855	10.4
353.13788	54.3
371.15024	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
59.25105	2.0
67.05504	3.0
67.19670	2.0
69.03427	3.5
71.05000	2.6
79.05490	12.7
81.07043	6.1
86.09721	2.3
91.05426	10.1
94.04179	5.9
98.20703	4.6
103.05455	3.1
105.07018	3.8
107.04964	20.6
115.05457	6.6
117.07075	2.8
121.06499	4.6
122.03654	10.1
123.04450	5.4
124.05205	5.1
125.05968	3.5
128.06229	8.3
129.06981	12.4
131.04918	5.3
131.08560	10.8
132.05658	3.7
137.05972	100.0
138.06293	2.8
141.06972	8.8
144.05690	9.0
145.06454	6.2
149.06084	3.0
151.03938	6.3
151.07532	3.9
152.04697	3.1
153.05400	3.0
156.05713	19.2
157.06480	8.7
158.07259	2.9
159.08054	21.0
160.05200	3.8
161.05940	6.1
163.07529	3.2
165.05458	3.7
167.07019	50.6
169.06412	3.5
169.07698	2.5
172.05168	4.4
173.05977	3.0
174.06776	6.7
175.07576	14.5
177.05484	8.4
178.07845	3.5
179.07014	5.1
179.08524	3.7
180.05762	2.8
181.06451	3.6
184.05215	4.4
186.06834	4.7
187.07523	23.5
189.06947	3.0
189.09116	8.3
190.06145	2.4
190.07739	3.8
191.06894	2.7
191.08540	3.4
197.05824	2.9
198.06892	3.4
199.07530	3.7
200.89093	2.2
201.09119	3.0
202.06227	5.9
202.07838	3.7
203.08572	10.3
204.09357	2.7
205.06635	4.7
205.08635	7.2
206.07214	6.8
207.08133	4.8
208.08745	2.3
209.08047	2.7
211.07684	3.3
215.06833	5.0
215.08585	6.3
217.06607	2.4
217.08568	65.0
218.07263	13.6
218.09015	4.6
219.08035	9.0
219.10138	11.0
221.09570	9.0
223.07529	5.0
224.04788	2.8
226.06241	6.0
231.08003	9.1
232.08804	5.3
233.05983	3.1
233.09621	14.9
234.06728	11.7
235.07533	16.1
237.05487	4.6
237.08986	3.8
239.07013	14.1
241.08597	18.5
242.05804	2.5
246.06741	7.0
247.07500	4.4
247.09673	28.2
248.08360	6.2
249.09056	25.0
250.06230	4.4
250.09776	4.6
251.06981	6.8
252.07802	7.8
257.08136	4.6
260.08344	7.1
261.09079	27.5
262.06265	6.3
262.09723	6.4
263.06985	16.9
263.10620	4.6
264.07758	5.1
265.08740	4.0
266.09341	6.7
269.08002	10.3
271.06052	7.3
274.06497	2.6
275.07196	3.2
277.08609	20.1
278.09323	17.5
279.06650	4.1
279.09921	4.6
280.07339	4.2
281.11658	7.5
283.09647	4.8
285.07593	41.8
286.08109	5.2
289.08701	10.1
290.09109	2.6
291.06702	4.3
291.09933	4.6
292.10638	3.3
293.08258	4.9
293.11691	25.1
294.08780	3.6
294.12247	2.6
295.09708	5.3
300.09888	44.4
300.94940	2.2
301.10666	22.0
306.08820	10.0
307.09616	10.9
308.06949	3.0
309.11142	21.1
311.09250	4.5
311.12683	2.5
313.10583	10.7
321.11176	34.7
322.12082	5.9
322.76086	2.3
323.09116	10.0
325.10748	3.7
326.11600	16.7
327.11996	2.9
338.11508	6.6
339.12253	5.7
341.13766	12.2
353.10306	3.0
353.13809	60.8
354.14117	2.9
371.14969	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	371.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58709	0.6
66.41343	0.6
68.99767	2.7
71.57850	1.4
72.48520	0.6
73.22771	0.6
76.05415	0.6
79.05485	1.2
91.05472	27.7
93.07032	0.8
95.08618	1.0
103.05431	2.6
105.03371	1.0
105.74925	0.6
115.05464	3.1
125.90069	0.7
129.07011	11.1
131.04948	4.3
139.00246	1.8
141.06973	2.1
143.08505	0.8
153.06984	1.2
155.04880	1.6
155.08553	2.0
157.06480	13.7
158.06769	0.8
165.06998	3.8
167.08656	0.7
169.06491	1.8
171.08072	0.9
177.06876	0.9
183.08122	1.1
197.05969	2.6
198.27347	0.6
199.07539	1.2
211.07539	1.4
215.07048	0.8
221.05997	3.6
225.05504	3.3
239.06985	3.0
243.06584	0.9
249.05536	3.2
267.06516	100.0
268.06863	2.7
285.07703	1.3
329.11661	1.9
371.12756	35.0
372.13129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03941	5.2
57.11239	2.4
67.05489	2.5
69.03418	2.3
70.05389	8.9
70.05801	5.6
71.04979	3.3
79.05470	12.5
81.03387	3.3
81.07058	7.1
83.08630	2.0
85.02886	3.7
91.05394	12.9
94.04171	3.9
95.04970	7.3
95.08565	2.9
103.05479	3.9
105.07018	3.9
106.06539	2.4
107.04932	20.5
107.08552	2.5
109.02893	6.4
109.06516	4.5
111.04419	3.9
115.05424	3.1
116.06256	4.7
119.04903	2.9
120.08128	2.4
121.02879	4.3
121.10143	2.9
122.03638	10.6
123.04436	5.7
124.05192	4.3
128.06221	6.2
129.06966	13.1
130.07756	2.7
131.04948	6.0
131.08554	10.7
132.05673	4.0
133.02823	3.1
137.05968	100.0
138.06288	2.8
141.06993	5.5
144.05687	12.0
145.06456	7.8
147.04385	4.7
149.05959	4.5
151.03908	5.6
151.07523	5.4
153.05513	2.7
156.05699	26.5
157.06497	7.9
158.07227	4.5
159.08046	17.9
160.05133	2.9
161.05991	5.1
162.06738	4.0
163.03922	5.8
163.07535	3.0
167.07027	47.8
169.06444	4.3
172.05254	3.5
173.05981	3.2
174.06738	6.9
175.07585	14.3
177.05472	8.8
177.09198	2.7
178.07767	3.1
179.07045	3.6
181.04968	3.1
181.06451	4.9
183.11586	2.5
184.05154	4.1
186.06673	5.3
187.07533	20.3
189.07088	3.7
189.09065	10.9
190.07811	6.0
191.06946	4.4
195.08188	3.0
202.06219	10.2
202.07872	4.0
203.08534	7.6
204.07834	3.7
205.06644	5.2
205.08524	5.3
206.07207	5.5
207.08092	3.3
211.07509	4.8
215.06894	3.7
215.08733	4.6
217.00742	2.5
217.06540	4.3
217.08559	66.7
218.07245	13.0
219.08023	9.3
219.10091	3.7
221.06163	2.4
221.09662	8.7
223.07547	3.0
224.04707	3.7
226.06271	7.9
227.06941	2.9
229.08653	3.5
231.07979	11.8
232.09016	4.7
233.09648	16.7
234.06615	12.6
235.07529	12.7
237.09097	3.9
239.06981	17.3
241.08574	19.3
242.05617	3.7
245.05673	2.8
246.06705	7.2
247.07413	7.7
247.09683	29.1
247.71616	2.4
248.08284	2.7
249.09094	21.6
250.06323	2.9
250.09888	3.4
251.07091	6.0
252.07799	10.6
255.06523	3.4
256.07156	2.8
257.08142	3.9
260.08386	3.9
261.09067	28.4
262.06241	6.7
262.09848	6.7
263.07022	9.8
263.10736	4.2
264.07864	5.5
266.09274	7.5
267.10129	3.4
269.08051	8.1
271.06100	6.1
277.08618	22.7
278.09335	17.5
279.06619	5.1
279.09991	5.0
280.07324	4.7
281.11758	9.6
285.07526	35.0
286.08395	5.0
289.08679	8.7
290.09247	2.6
293.08261	6.4
293.11725	23.3
294.08585	3.9
295.09576	2.8
300.09885	46.5
301.10663	16.0
306.08868	8.9
307.09601	10.2
309.11163	17.4
313.10571	12.6
321.07513	5.5
321.11127	36.7
322.11880	4.7
323.09088	9.5
325.10791	2.8
326.11526	16.9
338.11484	5.3
339.12231	4.5
341.13815	8.2
353.13855	47.8
371.15158	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.7
55.01864	13.0
55.05490	25.2
56.36417	6.9
57.07069	10.1
67.05502	62.1
69.07058	29.8
71.57986	6.4
71.58387	8.0
79.05493	43.6
81.03414	73.3
81.07050	63.1
83.04967	20.1
83.08621	18.5
84.09196	7.3
88.98080	7.9
91.05486	35.8
93.07050	42.3
95.04958	44.7
95.08591	28.7
97.10165	11.7
105.07015	24.8
107.08619	32.9
109.06491	13.4
109.10144	27.9
111.08077	11.2
117.07087	8.6
119.08582	18.4
121.10143	8.9
123.08044	11.6
123.11687	9.4
125.09592	7.8
131.08591	11.5
133.10129	24.8
135.11760	8.6
145.10190	9.2
147.11703	11.5
151.11163	44.6
161.13200	13.4
165.12782	12.3
179.14313	9.5
207.13782	8.9
218.44777	6.8
241.19398	13.2
259.20612	7.1
272.02121	8.0
277.21628	100.0
308.75665	7.6
323.80276	6.8
351.25439	45.3
363.33432	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77031	5.9
55.05510	45.4
57.03422	13.5
57.07054	14.5
67.05505	100.0
69.03439	6.1
69.07056	29.1
69.35272	53.4
69.35701	13.6
71.04999	8.5
71.08625	44.6
77.05631	5.9
77.77185	5.9
79.05500	55.3
81.03397	11.5
81.07058	79.6
83.04972	9.6
83.08601	21.1
91.05478	42.5
93.06543	9.5
93.07043	81.9
95.04947	16.2
95.08611	57.8
97.06495	11.0
97.10146	16.2
99.08083	26.4
105.07017	42.5
107.08594	59.2
109.06502	13.7
109.10159	36.2
117.07037	13.6
119.08588	28.1
121.10164	31.9
125.09601	9.0
129.06998	11.6
131.08554	13.9
133.10132	26.0
135.08073	8.9
135.11696	43.5
143.08592	10.0
145.10118	18.5
147.11679	15.7
149.02368	7.2
149.13300	10.6
151.11147	14.7
161.13184	10.3
165.09023	7.4
165.12721	8.9
173.11720	7.2
179.14302	81.5
185.13412	7.0
189.11153	9.1
199.14720	7.1
206.09314	6.9
224.65666	7.2
259.20514	24.1
277.21603	55.2
302.41876	7.2
351.25320	53.1
369.24127	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46089	3.9
53.03938	11.8
54.54067	3.5
55.01865	16.9
55.05510	57.1
56.48355	3.6
56.67538	3.6
56.96579	4.0
57.03433	37.1
57.07071	5.9
59.05017	4.4
59.26101	3.8
67.05502	100.0
69.03423	15.2
69.07065	61.3
69.31227	8.9
69.31629	32.4
70.05536	4.4
70.06580	6.3
71.04976	6.6
71.08643	24.6
73.11204	3.8
79.05486	59.7
80.05762	3.9
81.03416	12.4
81.07055	98.4
83.04982	18.7
83.08613	41.5
85.02896	16.4
85.06519	7.5
86.09698	6.0
91.05473	63.1
93.07040	61.2
95.04971	21.0
95.08607	56.7
97.02903	7.0
97.06540	21.7
97.10170	16.1
99.04442	5.6
99.08089	32.1
105.07028	51.7
107.04950	7.8
107.08580	32.1
107.78262	3.7
109.02861	6.0
109.06535	14.1
109.10146	39.7
111.08080	14.6
116.06246	4.2
117.07035	9.5
119.04956	12.9
119.08595	40.0
121.06515	4.3
121.10142	29.8
123.04417	5.5
123.08055	4.2
123.11713	13.6
125.09620	16.2
129.06993	10.8
131.08543	13.0
133.10126	23.1
135.08003	6.5
135.11699	20.5
137.05991	26.2
137.09612	8.6
139.11200	9.2
143.08556	9.2
145.10139	13.7
147.04422	12.9
147.11684	31.4
149.09612	9.6
149.13234	14.2
151.11163	20.6
153.00557	3.7
157.10129	10.8
159.11674	9.7
161.05956	6.7
161.09688	6.1
161.13287	13.8
163.11217	9.5
163.14902	4.8
165.12764	13.7
171.11726	5.0
173.11699	13.4
173.13170	8.6
175.03918	17.9
175.14815	7.6
177.05479	8.8
179.07066	4.3
179.14334	7.8
187.11169	4.7
189.11234	10.3
189.12813	4.9
193.15851	5.5
207.06490	33.1
220.08949	4.2
234.06714	4.3
249.22272	5.2
259.20590	10.0
277.21643	42.4
295.22714	7.1
300.07675	4.8
311.70065	4.1
337.10736	7.1
369.13199	9.1
369.26630	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32661	2.6
53.03934	4.9
55.01862	13.7
55.05510	77.1
57.03438	26.4
57.07072	3.8
65.03945	4.6
67.05503	92.8
68.34776	2.5
69.03433	4.4
69.07068	37.3
71.04987	4.9
71.08629	51.8
78.30801	2.4
79.05490	43.9
81.03429	4.8
81.07054	100.0
83.04984	11.7
83.08614	55.5
85.06541	9.2
85.10188	5.9
91.05477	43.0
93.07043	44.2
95.04961	19.3
95.08605	52.7
97.06536	18.6
97.10181	5.8
99.08091	39.6
105.07024	44.2
107.04980	2.7
107.08595	33.0
109.06526	9.1
109.10150	22.2
111.08089	25.8
113.06035	3.9
113.09636	10.3
117.06993	3.6
119.08574	31.1
121.10123	25.2
123.08090	7.5
123.11692	17.5
125.09705	3.7
129.07018	4.8
131.08571	9.2
133.10136	24.8
135.08052	3.3
135.11685	13.2
137.09625	4.9
137.13242	3.5
139.11198	7.1
143.08557	4.4
145.10158	8.8
147.11682	38.9
149.09628	7.5
149.13295	22.6
151.11179	15.5
153.12698	3.1
157.10168	7.0
159.11722	7.7
161.13251	9.3
163.11169	6.5
165.12755	29.0
167.14348	4.5
168.09459	2.6
171.11760	6.0
173.13245	4.1
175.11229	9.6
175.14810	4.4
177.12805	2.9
179.14359	10.4
181.12219	3.6
193.12308	3.0
231.21100	4.3
241.19522	5.7
249.22153	5.8
257.40765	3.3
259.20651	13.4
269.14719	2.7
277.21628	55.1
295.22656	9.2
337.26508	2.9
351.25223	5.9
369.26413	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24850	2.7
53.03947	6.9
55.01864	11.5
55.05509	61.8
57.03427	21.7
57.07061	7.9
59.04985	3.5
60.54679	2.9
65.00475	3.2
65.03945	4.9
67.05503	98.3
69.03427	4.1
69.07066	38.0
69.63441	24.2
71.04977	6.4
71.08627	32.1
79.05494	65.5
81.03410	14.4
81.07051	100.0
83.04963	15.9
83.08614	41.2
85.06549	8.4
91.05466	46.7
93.07042	76.1
95.04951	27.9
95.08602	57.3
97.06541	11.3
97.10160	21.0
99.08101	30.2
105.07019	38.8
107.05003	3.0
107.08582	59.1
109.06514	10.4
109.10162	25.8
109.19207	3.3
111.08087	10.1
117.07030	9.8
119.08565	30.3
121.10126	27.5
123.08054	6.2
123.11709	9.7
125.09602	17.7
129.06989	5.8
131.08592	11.9
133.10118	33.4
135.08057	4.0
135.11679	26.6
137.09625	4.8
137.13268	3.8
139.11166	4.1
141.01851	4.8
143.08562	4.8
145.10123	12.8
147.11678	28.8
149.13249	25.2
151.11172	45.6
153.12793	4.5
157.10146	7.2
159.10326	2.9
159.11697	12.8
161.13261	20.1
163.11224	16.3
163.14873	4.7
165.12762	11.6
171.11613	5.6
173.11755	11.9
173.13208	6.5
175.14822	12.0
177.12738	4.7
177.16307	2.8
178.46562	3.3
179.14365	10.3
185.13257	8.0
189.11194	17.4
189.12750	3.8
189.16374	6.4
193.12175	3.4
195.13820	7.8
199.14838	3.5
227.12953	6.4
241.19560	6.2
245.13916	4.8
253.18022	3.9
259.20517	7.6
269.17505	26.4
277.21597	54.1
295.22672	6.9
323.27359	9.1
351.25293	16.6
369.27042	14.2
380.90695	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2423
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05511	23.9
57.03436	8.0
57.07060	21.5
60.02874	7.2
60.34889	6.6
67.05508	41.7
69.07067	15.1
69.66708	6.3
70.31203	29.9
74.21432	7.3
79.05478	24.5
81.07056	48.6
91.05492	49.8
93.07048	48.4
95.04987	37.7
95.08597	67.3
97.06564	18.3
103.05402	9.0
104.06192	8.3
105.07021	64.9
107.04958	9.6
107.08592	60.5
109.06492	17.5
109.10140	37.6
111.08091	25.2
117.07011	24.9
119.08578	100.0
121.06495	12.9
121.10142	54.2
123.08044	18.7
123.11686	9.4
128.06262	12.6
129.06982	25.2
130.07736	11.2
131.08572	45.5
133.10126	48.0
135.08092	29.6
135.11679	17.8
137.06009	75.1
137.09621	13.5
142.07747	14.1
143.08568	50.9
145.10126	76.7
147.08034	20.9
147.11682	22.8
149.09605	33.5
152.20982	7.4
155.08514	18.4
156.09393	21.1
157.10139	55.1
159.08086	25.4
159.11679	40.9
161.09621	12.4
161.13332	11.0
163.07597	13.2
169.10133	16.9
170.10847	9.2
171.11723	29.2
171.53195	7.2
173.09761	7.2
173.13301	29.4
175.11180	8.8
175.14835	40.2
177.09151	12.1
181.10132	11.9
183.11729	30.2
185.13214	19.8
187.14842	40.0
189.12787	8.6
195.11713	20.9
197.13254	24.6
199.14861	18.4
207.11761	10.6
209.13242	29.0
211.11220	17.2
213.16325	9.8
221.13304	7.6
221.15482	7.8
223.14809	11.4
225.16357	8.3
233.15266	11.8
239.14310	11.7
239.17928	10.0
265.19550	12.3
267.17120	8.5
285.18567	7.8
307.27484	7.4
351.23077	25.4
369.24139	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01856	3.6
55.05510	10.1
55.96201	1.1
56.05027	1.7
56.96570	1.3
57.03435	2.3
58.04082	8.7
60.05642	2.7
65.03928	4.4
67.05503	12.1
68.05029	6.6
69.03416	4.8
69.07052	4.9
70.06578	1.3
71.04999	2.9
71.56892	1.0
71.57346	1.8
72.04514	10.2
74.06078	32.3
76.05114	3.4
79.05486	10.1
80.05011	16.4
80.05744	1.4
81.03410	3.8
81.07050	13.0
82.06590	2.8
83.04989	2.1
83.08618	3.8
84.04497	2.4
85.02914	6.1
85.06577	1.2
86.09725	2.0
91.05478	15.1
93.05799	1.3
93.07051	11.0
94.06574	7.3
95.01336	1.2
95.04959	4.6
95.08592	7.5
96.04488	13.5
96.08138	1.9
97.02873	2.0
97.06542	2.1
97.10165	2.5
99.04449	1.5
103.05512	2.4
105.07031	10.5
106.06545	4.0
107.04955	4.3
107.08578	5.4
108.04458	2.4
108.08112	12.3
109.02921	1.5
109.06541	2.9
109.10146	2.9
110.06023	4.0
110.09637	1.6
111.04434	1.7
111.08092	1.7
115.05442	2.4
116.08212	100.0
117.07027	2.9
118.05014	7.9
118.06519	2.2
119.04955	8.1
119.08574	8.3
120.04460	1.3
120.08118	9.6
121.06470	2.5
121.10130	4.0
122.06059	1.8
122.09664	3.4
123.04427	2.9
123.08014	1.9
124.07573	3.0
125.02382	1.8
125.06010	1.6
128.06241	2.5
129.06989	3.1
131.04919	2.3
131.08524	3.1
133.06445	1.9
133.10124	5.3
134.09630	1.9
135.04407	1.9
135.08063	1.8
135.11655	2.2
136.06143	1.5
136.07585	3.9
136.11223	1.7
137.05981	4.8
138.09117	2.7
139.03949	1.7
140.03412	3.6
141.07028	1.3
143.08554	2.1
145.06569	1.5
145.10123	3.9
147.04425	7.3
147.08049	2.6
147.11679	4.8
148.03880	3.2
149.09576	1.1
150.09198	1.7
151.03876	1.7
151.07620	1.4
153.05455	2.6
155.04765	1.2
155.08551	1.7
156.05803	1.5
157.10211	1.2
159.08051	2.4
159.11713	1.2
160.05232	1.6
160.07169	11.8
161.05989	2.9
161.09619	2.9
163.03947	1.3
163.11131	2.3
164.07069	1.9
164.10695	3.6
164.14366	2.1
166.05016	2.3
167.07025	3.1
169.06497	1.9
171.07953	2.1
174.12723	1.8
175.03906	9.8
175.07542	8.6
175.11186	4.6
178.07625	1.4
179.07066	1.9
182.08224	3.0
183.06537	1.8
184.05191	2.9
187.11137	1.6
192.13815	11.1
195.08070	1.3
199.07526	30.5
200.08003	1.9
201.05278	1.3
203.08650	1.6
205.06543	1.5
207.06488	19.7
207.08046	1.3
207.13910	1.4
208.13181	2.6
209.09683	1.2
210.14925	7.5
215.10648	1.4
218.07289	2.3
219.08083	4.0
220.13353	7.3
221.09624	1.5
224.16460	6.0
231.07953	2.5
232.16986	3.5
233.05974	2.5
234.06737	2.3
235.07430	2.6
236.08282	3.5
236.12741	2.1
237.09053	1.5
238.14359	15.7
243.10362	1.5
247.07442	2.8
248.08295	1.4
248.16402	5.8
249.09071	3.0
250.17982	12.2
251.06989	2.1
251.10619	3.1
254.10246	3.5
259.07587	2.0
262.06210	1.8
263.06912	2.6
264.07758	3.7
265.08578	3.6
266.17520	27.8
275.07086	1.7
276.07898	1.3
277.08563	3.3
278.09378	1.6
279.10007	1.9
281.08060	2.5
281.11475	1.6
283.10690	2.6
283.20190	2.3
289.10913	1.8
289.14270	2.1
291.10019	1.6
292.15411	9.2
293.08090	2.3
295.09586	1.6
307.09485	5.7
308.10361	1.8
309.07709	1.5
309.11200	3.4
310.16330	6.3
311.12686	5.8
315.08597	2.7
319.09540	1.8
323.09329	2.4
324.09930	2.1
325.22327	25.6
337.10709	9.3
338.11377	2.2
339.12189	10.2
351.11444	1.7
369.13751	8.8
369.21359	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01865	2.3
55.05496	4.1
57.03419	3.6
59.37411	2.1
61.02906	4.3
67.05505	5.7
69.03426	16.6
69.07035	3.3
70.06573	6.8
71.01335	2.3
71.04990	3.3
71.56718	1.9
71.57127	2.1
72.08160	3.5
79.05481	7.4
81.03389	6.3
81.07044	8.0
83.04969	6.7
83.06094	4.9
84.04448	2.5
85.02895	23.6
86.09711	4.4
91.05472	16.8
93.04554	3.5
93.07039	7.8
95.04967	6.4
95.06036	4.6
95.08578	4.7
97.02879	11.1
99.04445	4.4
105.03391	1.9
105.07014	18.6
107.04999	2.1
107.08616	15.1
109.02873	5.6
109.06520	7.1
109.10158	4.6
110.07178	20.7
111.04424	2.0
111.06762	2.5
111.07484	5.6
119.04943	6.2
119.08578	15.1
121.06479	4.1
121.10146	9.9
123.08067	5.6
123.11672	2.4
126.27147	2.3
127.03886	7.9
129.06960	2.7
131.04895	2.5
131.08543	5.5
132.01120	2.3
133.06456	5.4
133.10136	19.6
135.08043	7.0
136.07591	4.1
137.06032	4.9
137.09616	7.5
143.08546	4.8
145.02840	4.7
145.04961	3.9
145.10141	6.2
147.04384	5.1
147.08020	6.2
147.11671	9.4
147.94258	2.1
149.05940	2.7
149.09631	19.7
151.11177	28.4
156.09302	5.8
159.08054	16.0
160.08827	3.6
161.02322	2.5
161.09613	6.4
161.13275	13.6
163.11185	14.9
171.11641	8.9
173.09558	4.0
174.10399	42.5
174.76071	2.4
175.03915	6.8
177.05447	7.9
179.10652	2.3
187.11124	3.5
189.07240	2.8
189.12732	100.0
191.14330	26.2
207.06482	10.4
207.13789	45.5
207.15736	3.0
278.19446	4.6
323.21671	10.6
369.15027	6.2
369.22409	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01864	6.8
55.05505	8.0
57.00205	1.8
57.03431	7.3
59.41570	1.6
60.93696	1.9
61.02926	4.4
61.16351	2.0
63.07421	1.7
66.18251	2.1
67.05498	8.6
69.03426	34.3
69.07069	7.5
69.69903	13.7
70.06591	5.3
71.04998	4.1
72.08149	2.3
73.02914	3.3
74.01551	1.8
79.05496	10.3
81.03428	13.1
81.07047	7.1
83.04960	5.0
83.08573	1.8
84.04499	3.4
85.02902	36.5
91.05480	19.5
93.07029	12.3
95.04969	18.7
95.08611	10.7
97.02902	18.9
97.06539	2.2
99.04455	7.2
105.07021	28.3
107.08583	18.8
108.08115	2.6
109.02868	5.6
109.06509	8.9
109.10178	4.1
110.06010	2.7
114.05495	2.2
115.05496	3.0
116.08199	4.1
117.07043	4.4
119.04906	3.3
119.08576	54.9
121.06493	5.8
121.10149	11.4
123.04416	4.6
123.08087	3.7
127.03922	12.8
128.06239	4.7
129.07016	6.9
131.08556	23.1
133.06488	4.8
133.10120	25.3
134.05978	1.9
135.08109	5.4
135.11694	8.1
136.07608	3.6
137.05962	4.2
137.09610	4.0
137.13248	4.0
140.03426	3.5
140.10808	1.8
141.06973	8.6
142.07809	3.3
143.08557	13.7
144.09297	3.0
145.04961	3.9
145.10138	9.0
145.11165	1.8
146.06078	3.5
147.08058	20.6
147.11685	27.8
149.05888	2.2
149.09593	6.6
149.13284	7.6
151.08730	2.3
153.01825	2.7
155.08530	2.2
156.09334	30.6
157.10129	6.1
158.11021	2.0
159.08040	5.4
159.11688	23.8
160.07465	2.6
160.08743	2.3
161.09659	5.9
161.13243	30.8
163.11171	4.4
164.06987	3.1
171.11687	62.8
172.12053	2.4
173.09691	2.2
173.13269	6.6
174.10419	7.2
175.11214	6.7
176.07103	2.3
177.12746	2.1
182.08073	10.6
188.07060	5.4
189.12735	100.0
189.95641	2.2
190.08675	2.4
191.14404	2.5
204.06491	2.4
206.08031	4.0
207.13762	21.7
219.13857	2.1
223.10808	2.0
254.10237	5.7
295.09274	4.1
297.14841	2.8
333.17133	3.4
334.09052	3.2
351.17984	7.1
352.10223	3.5
369.19174	7.8
392.73340	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	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53732	2.8
53.56348	2.8
55.01872	5.7
55.05488	8.2
55.74308	2.8
56.03752	3.0
57.03416	5.5
61.02914	5.2
67.05488	8.0
69.03411	14.0
69.07042	4.4
70.06583	6.7
72.08134	3.6
73.02927	3.5
79.05479	9.1
81.03409	9.4
81.07040	9.4
83.04989	7.7
83.06081	9.2
84.08118	5.7
85.02905	24.9
86.09715	5.7
90.84984	3.2
91.05476	20.5
93.04509	4.3
93.07030	10.2
93.62025	3.2
95.04954	6.4
95.06095	6.3
95.08592	6.4
97.02876	14.4
99.04427	5.8
105.07008	18.8
107.06021	3.4
107.08604	18.4
109.02850	4.7
109.06493	7.4
109.10139	6.0
110.07139	31.0
111.07502	6.9
117.07013	4.6
119.04920	12.9
119.08537	17.4
121.06486	4.7
121.10148	7.1
127.03932	4.8
131.08519	7.0
133.06538	5.8
133.10123	27.0
135.08025	9.8
136.07559	10.0
137.05960	6.9
137.07939	4.2
137.09625	7.7
137.87056	3.3
143.08618	3.5
145.02837	7.1
145.10103	7.5
147.04366	5.9
147.07985	5.3
147.11679	13.1
149.05954	3.5
149.09592	20.4
151.11151	34.4
156.09337	7.3
159.08046	15.0
159.11617	4.0
161.09610	8.0
161.13266	14.8
163.11119	17.7
171.11623	11.1
173.13229	4.3
174.10400	38.8
175.03851	9.5
177.05447	11.4
189.12727	100.0
191.14320	21.9
193.05002	4.0
207.06534	14.8
207.13753	46.0
271.78476	3.4
278.19193	4.1
301.45551	3.3
323.21765	15.7
369.15173	15.3
369.22440	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67482	1.9
53.03929	4.2
55.01868	9.5
55.05512	14.6
57.03415	5.2
64.91294	1.9
65.03925	3.7
67.05503	22.1
68.99788	2.8
69.03413	7.0
69.07047	8.1
70.99575	1.8
71.01320	2.9
71.04995	3.3
71.57478	3.1
79.05482	21.3
80.64861	1.6
81.03405	17.6
81.07053	23.7
83.01334	2.4
83.04965	4.8
83.08609	4.4
85.02892	8.1
91.05475	37.9
93.03372	2.7
93.07044	17.5
95.01305	3.5
95.04953	12.4
95.08597	12.4
95.98003	1.6
96.59967	1.8
97.02880	6.4
97.06531	5.1
97.10155	2.5
99.04422	2.8
103.05469	5.2
105.03387	4.2
105.07022	16.9
107.04934	13.4
107.08624	8.8
109.02857	7.2
109.06520	4.4
109.10180	4.3
115.05450	6.6
117.06998	12.7
119.04915	22.7
119.08577	11.0
121.02855	9.5
121.06501	6.5
121.10126	5.4
123.04407	8.4
125.02332	2.7
125.09654	2.3
127.03901	3.9
128.06215	5.8
129.07034	11.8
131.04935	5.0
131.08563	9.7
133.06442	5.4
133.10132	5.9
135.04427	8.9
135.08083	4.0
135.11722	3.3
137.05966	8.2
137.09573	1.9
137.15028	1.8
139.03905	2.9
141.06975	5.2
143.08551	6.4
145.06491	7.5
145.10062	9.5
147.04375	23.0
147.08055	3.7
147.11702	4.2
149.02344	7.7
149.05978	4.8
149.09608	2.3
151.03894	11.0
155.08521	3.7
157.06508	4.7
157.10117	5.1
159.04448	2.5
159.08035	4.9
159.11655	3.4
161.02328	2.5
161.05966	5.4
161.09607	4.8
163.03873	8.7
163.11108	3.7
165.01820	10.3
165.07005	3.4
166.07747	2.3
167.03368	3.1
167.07022	2.2
167.08580	3.2
169.06433	1.9
169.10149	3.4
171.04474	2.6
171.08014	3.7
173.02333	2.9
173.05981	8.5
175.03880	28.9
175.07588	2.3
175.11188	2.8
177.05420	3.6
179.03334	3.0
179.07074	3.5
181.04962	2.1
183.11656	1.9
185.05954	3.3
185.09639	5.0
187.03751	2.2
189.05452	8.5
191.03413	2.1
193.04955	2.8
194.07254	2.3
197.09619	2.7
197.13112	2.9
199.04027	2.0
199.07559	4.3
199.11296	3.7
201.05505	2.9
202.07861	1.9
203.03470	2.3
203.08684	2.1
203.10687	3.2
203.14369	2.0
205.04961	5.1
205.12239	4.4
207.02849	5.3
207.06496	43.8
211.11162	2.4
213.09067	4.2
213.12703	3.0
215.06987	3.1
215.10677	3.0
217.04927	3.7
219.10110	4.7
221.04349	10.2
223.11128	3.3
225.09032	2.1
227.10663	4.1
231.10184	6.7
233.11696	11.7
234.06744	3.6
241.12253	4.8
242.12671	2.0
243.10081	3.0
245.11871	3.2
247.07541	2.5
251.07028	2.0
251.10614	4.4
255.10060	2.3
259.09674	4.2
259.13327	3.3
264.07877	2.1
265.08441	2.5
269.11719	7.9
271.13306	2.7
277.10715	82.6
278.11121	2.8
279.10040	3.6
285.11252	3.6
287.12653	17.9
294.08884	2.0
295.06113	1.9
295.11795	2.3
297.11169	9.8
303.12207	6.6
305.08249	4.3
305.13864	7.7
307.09677	2.4
308.15659	2.0
309.10971	3.1
315.12234	30.7
333.13300	100.0
334.13684	6.5
337.10736	19.2
338.11084	2.4
351.10800	6.0
351.14114	6.5
369.13010	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	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03946	1.9
53.56160	1.4
55.01863	3.4
55.05497	4.7
56.96553	2.6
57.03414	1.9
63.87655	1.4
65.03925	2.9
67.05484	6.1
69.03417	6.4
69.07058	4.2
70.06571	2.4
71.04969	1.5
71.08621	1.4
71.57414	3.0
72.99409	1.3
79.05476	4.9
81.02985	1.5
81.03391	8.1
81.07036	9.3
83.04980	1.2
83.08628	1.6
84.08144	1.5
85.02898	4.7
85.06483	1.6
91.05477	17.2
93.07039	6.7
95.04962	3.7
95.08582	4.5
96.69901	1.4
97.06509	4.3
98.20778	1.5
105.07027	6.0
106.12971	1.4
107.04930	2.5
107.08576	3.2
108.78785	1.5
109.02851	3.8
109.06513	1.4
109.10172	2.7
111.04436	2.2
111.68514	1.6
117.07032	2.2
119.04913	14.7
119.08562	5.0
121.06529	1.5
121.10188	3.8
123.04385	2.0
127.03923	1.9
129.06999	1.8
131.04900	1.9
131.08569	2.7
133.06477	1.8
133.10074	2.8
135.08038	1.7
137.05949	6.3
141.06657	2.4
142.53548	1.5
145.06467	1.9
147.04405	14.5
147.11691	2.5
149.05994	1.7
152.06227	3.6
153.05463	2.5
153.06935	2.7
157.10089	2.7
159.08083	2.0
161.06001	1.9
163.11258	1.7
165.07002	2.0
167.07005	3.3
168.05673	1.7
175.03885	20.3
175.07581	4.9
177.06992	2.0
178.07828	3.3
179.07085	2.7
180.05669	3.9
181.06462	2.0
182.07336	1.9
184.05270	1.5
189.05507	2.8
189.07056	2.9
190.07870	2.0
191.08640	2.7
194.03708	2.7
194.07167	2.1
195.08130	1.8
199.07530	9.6
202.07703	2.4
203.08504	3.8
205.06491	5.1
206.07231	8.3
207.06483	38.0
207.08080	3.1
208.05190	51.1
209.05927	2.4
210.06810	3.4
211.04047	3.2
211.07442	3.3
217.06544	1.7
218.07265	6.8
219.08081	16.2
220.08800	6.0
221.06018	4.6
221.09610	3.5
222.06702	3.3
223.07603	4.1
224.08286	3.4
225.05678	3.2
225.09154	4.1
226.06180	3.6
227.07019	3.2
231.07990	9.0
232.08791	2.0
233.05927	4.5
234.06729	11.3
235.07481	9.4
236.04713	12.0
236.08330	5.3
237.05367	3.1
237.09177	2.0
238.06314	2.2
239.07080	10.3
240.04202	8.7
241.08566	3.3
242.05803	3.3
245.09601	1.8
246.06790	4.8
247.07520	36.0
248.08286	14.9
249.05461	2.7
249.09149	9.9
250.06305	4.9
250.09573	2.1
251.07080	4.4
251.10657	4.0
252.07858	5.5
253.08585	2.5
254.05702	12.8
255.06491	3.6
257.04462	5.8
257.08124	3.2
257.17322	1.6
258.06665	2.6
259.07541	5.3
260.08383	6.1
261.05511	1.7
261.09097	4.7
262.06244	4.7
262.09781	4.5
263.07129	13.2
263.10382	8.3
264.04828	1.8
264.07858	10.7
265.06049	1.8
265.08600	10.5
266.09280	2.0
267.06686	2.5
267.10062	4.8
268.03738	4.0
269.08072	28.4
270.04968	1.7
270.09027	2.2
271.05997	5.6
272.06845	5.4
273.09155	2.2
274.06247	2.5
275.07037	20.4
276.07788	9.3
277.08530	26.9
277.14410	2.9
278.05762	3.9
278.09387	5.6
279.06711	3.3
279.10156	9.7
280.07343	6.2
281.08124	6.0
281.11713	8.4
282.05276	5.4
285.07553	16.3
285.11194	5.0
286.04965	1.7
290.09357	13.7
291.06882	2.5
291.10086	19.4
292.07309	6.8
293.08096	13.4
294.08853	6.1
295.06393	1.9
295.09467	8.2
300.06464	3.2
300.09952	16.1
301.07236	3.0
304.07285	4.6
305.08041	13.9
306.08771	7.9
307.09579	19.6
308.07108	2.5
308.10419	9.9
309.07639	12.0
309.11240	13.8
311.09409	2.2
311.12775	6.2
313.10727	16.5
315.08603	100.0
316.09003	5.3
318.08835	16.4
319.09583	10.4
320.10419	6.5
321.07574	4.8
321.11243	9.5
322.08377	2.5
322.11899	2.1
323.09131	25.4
323.12900	9.3
324.09885	17.4
325.10693	7.7
336.09894	11.4
337.10773	12.3
338.11435	23.3
339.12231	21.0
341.13733	3.3
351.12311	35.0
352.12610	2.6
354.11023	4.9
369.13330	52.6
369.18015	1.9
369.24103	1.7
370.13663	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	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03949	4.6
55.01865	7.5
55.05510	6.8
57.03434	3.5
65.03931	9.2
67.05509	15.4
69.03430	10.2
69.07087	3.3
69.31445	2.6
71.57153	5.1
74.06071	2.5
79.05496	12.1
81.03419	10.9
81.07049	14.6
83.04971	2.7
85.02892	10.1
91.05472	27.3
93.07050	11.8
95.01299	4.6
95.04949	15.2
95.08620	6.0
97.02887	7.7
105.07018	14.2
107.04962	7.3
107.08591	5.2
109.02857	4.9
110.03699	4.3
111.04446	6.3
115.05475	6.4
116.08209	5.6
117.07040	6.1
119.04926	15.5
119.08584	15.0
121.06487	3.1
121.10121	7.8
121.73227	2.9
123.04420	8.9
125.05997	6.6
128.06238	10.9
129.07022	6.6
131.04889	4.2
131.08571	2.6
132.05725	5.8
132.33803	2.8
133.06496	4.0
133.10118	7.6
135.04393	3.0
137.05968	7.8
137.09650	3.4
139.03899	4.9
140.03358	3.8
141.06992	6.3
143.08565	7.7
145.10071	4.5
147.04361	13.9
147.08064	8.6
147.11697	6.0
149.05965	3.9
151.03944	2.8
153.05476	14.6
155.08662	3.9
157.06497	2.7
161.05971	6.2
161.09627	3.4
163.07529	3.5
165.06975	4.1
167.07086	4.8
169.06517	12.7
171.07951	2.9
175.03923	19.2
175.07556	29.0
177.05493	3.2
178.07726	3.1
182.08147	7.6
183.06529	10.2
184.05238	9.2
185.05966	3.5
186.06764	3.2
187.07500	5.5
187.11113	3.3
189.05440	4.0
191.08630	2.9
193.06578	2.9
195.08086	3.7
199.07535	100.0
200.08131	3.5
205.06473	6.7
206.07124	3.7
207.06479	37.0
207.13786	3.6
209.09598	3.8
215.06996	6.4
216.07849	4.8
217.06401	3.2
218.07265	5.3
219.08087	11.0
220.08798	4.9
221.06026	6.8
222.06802	3.2
231.08127	3.8
233.06081	3.5
234.06798	4.4
235.07552	12.2
236.08351	10.9
247.07622	8.8
249.09079	8.7
250.06146	4.5
251.06862	3.5
251.10641	18.3
253.08568	4.1
254.10260	5.3
263.07080	10.2
264.07819	16.9
265.08618	9.5
276.07806	4.0
277.08694	9.8
278.09546	6.8
279.10010	13.7
281.08096	5.9
291.10425	4.0
292.07251	4.4
293.08139	6.8
294.08597	5.1
295.09689	3.4
305.07962	4.8
307.09647	28.3
307.15381	6.2
308.10391	4.9
309.07587	4.3
309.11160	8.7
311.12753	38.2
324.09851	9.7
333.13315	3.3
337.10706	16.2
339.08432	4.9
339.12289	47.0
341.13629	3.9
369.13248	15.5
369.18658	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	369.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01859	3.8
55.05519	3.5
57.03415	3.7
65.03935	11.3
67.05494	10.6
69.03432	16.8
69.07056	5.8
70.06565	3.4
73.54865	2.9
79.05480	8.9
81.03409	10.9
81.07037	7.0
85.02902	65.9
91.05476	34.6
93.07020	4.0
94.04181	3.7
95.04942	9.9
95.08583	3.1
97.02888	7.1
98.21542	6.2
103.05479	3.1
105.07001	6.5
107.04962	5.7
107.08616	3.4
107.17414	2.8
109.02873	3.2
109.06470	4.0
110.03639	8.6
111.04424	8.0
115.05457	5.6
117.07017	4.1
119.04941	32.6
119.08578	9.0
119.54884	3.4
123.04464	10.0
125.06014	6.1
127.03931	5.6
128.06209	8.6
128.56747	3.5
129.07005	4.5
131.04898	4.6
132.05710	3.3
133.10121	6.0
135.04382	4.9
137.05995	4.6
141.06989	9.2
143.08554	5.7
145.06477	4.2
145.10153	3.3
147.04390	34.9
147.08075	6.9
147.11629	4.6
149.05916	4.3
149.09528	3.4
151.07428	3.3
152.82582	3.0
153.05464	18.6
161.05984	8.3
165.06947	3.8
167.07054	4.9
168.05644	3.8
169.06535	9.5
171.08107	4.8
175.03923	46.9
175.07518	26.9
179.07086	3.9
182.08076	4.0
183.06522	8.6
184.05125	7.0
185.06033	6.0
189.07036	4.0
191.08649	3.5
192.04123	4.6
199.07542	100.0
200.08026	4.7
205.06667	4.7
207.06509	92.3
207.08073	4.8
216.07816	5.9
218.07301	7.7
219.08102	10.1
220.08702	3.9
221.05952	3.8
229.08662	3.8
231.08034	5.5
234.06700	5.9
235.07524	12.3
236.08295	11.9
247.07576	9.7
248.08240	3.8
249.09193	5.6
251.07040	3.9
251.10658	16.8
263.06900	11.3
264.07755	15.1
265.08411	7.4
275.07016	5.5
277.08563	8.3
279.10175	9.3
281.08282	7.3
291.10187	7.2
292.07425	4.2
293.08084	8.8
294.08777	5.6
305.08151	3.8
307.09650	34.1
307.15250	6.8
308.10345	5.9
309.11020	7.4
311.12723	29.9
315.08466	9.4
319.09668	4.0
323.09219	4.3
324.09894	8.3
337.10626	13.3
339.12244	51.6
369.12961	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42397	2.4
55.01859	6.5
55.05505	2.9
56.05030	6.0
66.97226	2.7
67.05492	6.1
69.03402	5.7
69.63682	2.4
70.02943	6.5
70.06570	9.1
71.01365	2.8
71.56970	3.2
72.04512	4.5
72.08149	2.7
73.02892	4.9
74.06046	3.3
79.05479	9.8
81.03426	4.2
81.07043	8.8
84.04501	15.8
85.02885	8.5
86.09670	11.3
87.05595	14.3
91.05463	14.1
93.07018	8.0
95.04942	8.1
96.04528	2.8
97.02917	3.9
98.02397	6.3
98.97576	2.9
99.00815	9.0
100.07642	3.3
101.62808	2.7
103.05412	3.6
105.07015	8.1
105.59859	2.7
106.06531	5.9
107.04971	4.7
107.08605	5.4
108.08111	8.4
109.10105	3.3
110.06046	8.6
110.07094	2.8
112.03960	9.4
115.05436	3.3
116.03426	4.7
116.08192	2.6
116.98582	3.6
117.07018	3.1
118.06554	4.4
119.04926	8.1
119.08587	5.6
120.08099	9.7
121.06500	4.4
122.06015	5.0
123.09168	4.4
132.08073	11.6
133.06177	3.8
134.06032	12.6
134.06879	2.5
134.09665	6.6
135.04391	2.7
136.06207	3.9
136.07553	14.8
139.05022	3.9
140.03421	43.7
144.08093	5.4
145.02791	5.4
145.06424	6.9
146.05986	9.8
146.09607	3.3
147.04349	3.6
147.11653	5.9
148.07558	7.5
149.05978	3.3
150.05505	6.6
150.09097	3.3
151.08681	15.6
152.07050	7.3
160.07576	16.4
161.13258	4.7
162.05507	15.6
162.09137	7.8
163.03783	4.8
164.07068	16.9
166.04979	2.9
172.07555	5.9
173.05939	4.8
174.05502	6.3
174.09033	4.1
176.07042	11.6
177.05432	5.3
178.04971	4.7
178.08661	2.9
179.05724	10.4
180.06552	12.7
182.08118	100.0
186.05423	3.1
188.07039	22.8
188.10640	3.3
189.10312	2.7
189.12714	3.2
190.08632	7.0
192.06451	5.0
192.10182	2.8
194.08090	7.4
200.06944	5.2
202.08641	7.2
204.06555	18.8
206.08109	44.0
207.06628	3.6
214.04997	4.8
214.08603	4.2
216.06558	6.0
218.08168	7.6
221.09334	3.0
222.07668	3.8
223.10875	6.3
231.07663	3.0
232.06041	18.8
233.09041	4.8
234.07558	6.6
236.09195	11.8
237.07484	4.0
242.08093	4.5
244.09642	3.7
246.07474	4.2
249.08714	7.5
250.07159	7.9
251.10164	4.8
253.09512	16.4
254.10255	47.1
259.07059	6.7
260.05548	10.6
272.09021	3.8
277.08246	10.1
278.06522	13.2
280.08026	9.4
280.11490	2.8
288.08609	9.7
292.08072	10.1
295.09238	24.6
304.08044	10.8
306.09763	15.5
310.09238	3.8
316.08069	8.7
324.10992	5.1
325.09009	3.3
333.10721	3.7
334.09213	8.8
351.11893	7.3
352.10144	31.4
369.08270	5.2
369.12634	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01884	4.7
55.05509	27.4
56.05025	1.8
56.96544	2.1
57.03430	4.5
57.07080	1.6
58.06595	7.3
59.04970	1.5
60.04522	32.8
65.03926	2.3
67.05500	27.6
68.05009	2.3
68.05824	1.6
69.03421	6.7
69.07066	21.0
70.06586	2.5
71.05000	10.2
71.57742	0.9
71.58070	1.3
72.04502	1.1
72.08169	1.3
79.05492	22.3
80.05006	2.9
80.05797	1.5
81.03411	5.8
81.07053	27.3
82.06563	2.1
82.07368	3.1
83.04978	4.6
83.08612	13.4
84.08134	11.4
85.02869	1.3
85.06528	3.3
86.09698	37.5
88.07620	4.0
88.10186	1.0
91.05482	13.6
93.05795	1.1
93.07040	20.6
94.06557	4.6
95.04962	12.3
95.08597	10.9
96.08128	4.6
96.08898	0.9
97.06517	4.2
97.10157	23.6
100.07616	3.2
105.04472	1.3
105.07026	13.3
106.06536	2.1
106.07357	1.0
107.04952	5.0
107.08585	11.0
108.08095	3.9
108.08840	1.6
108.47218	1.1
109.06513	7.0
109.10118	5.0
110.06035	3.6
111.08072	1.3
112.07601	34.1
113.05993	2.5
117.07005	7.1
118.07355	1.2
119.04932	2.3
119.08580	7.5
120.08116	1.5
121.06531	2.1
121.10128	10.3
122.09671	10.7
123.08068	3.7
124.07612	2.3
125.09626	15.4
128.10703	36.2
129.07010	1.8
130.08678	2.2
131.08575	6.1
132.02113	1.0
132.08076	1.4
133.10124	3.0
134.09576	2.4
135.08046	3.7
135.11667	4.1
136.11203	2.6
137.09645	2.0
138.12761	4.6
143.08533	1.8
145.06436	1.6
145.10118	3.9
147.04445	2.5
147.08026	1.5
147.11676	2.7
148.11182	2.9
149.09564	1.7
149.13226	1.7
153.09027	1.9
154.08630	7.7
156.10211	1.1
157.10088	2.2
159.11670	4.3
161.09583	1.8
163.11194	1.2
165.12788	1.5
169.10117	1.6
171.11499	1.1
172.09691	13.1
173.11739	1.8
175.03912	4.7
177.12694	1.7
179.02870	1.0
180.13815	18.3
182.15387	1.3
187.11212	3.0
189.11226	14.4
195.13861	1.7
204.13901	1.2
205.12122	1.1
207.06490	6.8
208.13402	1.3
216.60220	1.1
217.15872	1.5
221.15385	4.6
222.14832	1.7
223.13300	7.1
224.16487	2.1
230.28702	1.0
241.14360	2.0
264.05145	1.2
266.17783	1.2
268.15402	1.6
272.20096	2.4
273.18439	6.4
276.20334	3.2
290.21167	12.8
291.19388	9.1
292.19946	1.0
308.22144	16.6
332.22195	1.9
350.23199	18.0
351.10623	1.6
368.24316	100.0
369.24698	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	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
57.03447	0.6
60.58175	0.3
61.02929	0.9
69.03440	1.8
69.99689	0.3
70.49382	1.2
73.02900	0.3
81.03449	0.9
85.02900	5.9
87.04441	0.3
97.02903	2.5
99.04482	0.5
104.04974	0.4
109.02856	0.3
127.03915	1.3
130.67834	0.3
131.87041	0.3
132.03462	0.7
132.04443	9.8
145.04977	1.0
172.52219	0.3
178.04991	68.5
179.05347	2.1
206.04480	100.0
207.04857	3.6
323.92560	0.3
368.10074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01861	5.0
55.05511	23.2
55.73069	5.3
57.07063	11.5
67.05508	42.3
69.03423	9.3
69.07065	27.9
70.12321	11.9
70.12717	8.2
71.04968	4.8
79.05490	32.2
81.07063	52.8
83.04964	9.1
83.08621	10.5
84.16673	4.5
91.05480	53.0
93.07038	82.7
95.04978	41.4
95.08606	56.8
97.06528	15.6
103.05385	4.3
105.04504	7.0
105.06383	7.9
105.07026	89.2
107.08592	64.7
109.06531	22.6
109.10161	42.0
111.08096	5.2
117.06991	22.7
119.08585	100.0
121.06480	12.2
121.10140	44.1
123.08047	11.4
123.11690	11.2
128.06241	12.9
129.07024	23.6
130.07762	5.8
131.08565	67.1
133.06476	5.0
133.10141	49.9
135.08029	17.5
135.11688	23.6
137.09567	7.8
142.07750	20.6
143.08543	39.3
144.09306	11.7
145.06529	4.6
145.10118	58.9
146.07159	7.1
147.08055	11.1
147.11674	19.4
149.09641	12.2
155.08572	15.9
156.09372	11.7
157.10127	47.1
158.10834	5.0
159.08138	5.4
159.11673	34.1
160.08943	5.1
161.09612	39.2
163.11220	8.0
165.07019	5.6
167.08498	8.5
168.09404	8.5
169.10120	19.1
170.10878	7.9
171.11691	29.0
173.09567	6.4
173.11877	5.3
173.13187	24.2
175.11188	8.9
175.14828	22.3
177.12659	6.6
179.08536	6.3
181.10083	13.7
183.11693	22.0
185.13235	15.7
187.14778	13.3
191.14334	5.5
193.10072	4.8
194.10904	8.4
195.11693	13.2
197.13272	14.1
199.14856	13.1
201.12704	8.9
201.16336	6.4
207.11649	5.6
209.13219	18.2
211.14804	12.9
213.16362	6.7
217.38867	5.9
223.14703	6.2
225.16357	5.3
227.14409	9.6
237.16460	8.2
239.17940	9.6
255.17374	5.3
267.17480	6.3
317.24966	6.2
317.89267	5.2
336.04868	5.2
349.25177	14.6
367.26343	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69573	2.5
51.55152	2.6
52.74951	2.6
53.03933	6.5
55.05507	23.4
57.07061	13.2
65.03941	3.7
67.05179	3.8
67.05505	48.8
69.03429	9.1
69.07072	27.4
69.84582	8.0
69.85014	11.2
71.04986	6.8
79.05499	36.3
81.07056	59.7
83.04964	5.4
83.08607	7.9
85.06522	5.8
91.05480	62.3
93.07045	84.1
93.07635	5.6
95.04974	38.4
95.08605	53.0
97.06547	15.3
98.21409	3.8
105.04495	4.3
105.07030	95.6
107.08596	55.7
109.06519	16.5
109.10157	42.3
111.08066	3.1
111.50098	2.8
112.93999	2.9
115.05457	9.3
116.06240	3.5
117.06977	17.0
119.08581	100.0
121.06505	9.6
121.10140	46.5
123.08050	9.6
123.11714	13.9
128.06197	11.9
129.07002	18.5
130.07773	11.1
131.08571	54.4
133.06474	2.7
133.10130	56.4
135.08043	15.0
135.11700	19.9
137.09598	8.1
141.06995	7.9
142.07750	23.2
143.08571	39.4
144.09334	12.1
145.10117	67.0
146.07233	7.6
147.08043	13.2
147.11697	20.3
149.09578	12.3
149.13303	4.4
154.07680	2.7
155.08516	16.0
156.09340	15.4
157.10132	53.1
158.10860	8.4
159.08052	5.6
159.11690	40.8
161.09608	37.7
161.13228	10.2
163.11176	5.3
165.06943	4.0
167.08588	6.2
168.09459	5.4
169.10135	24.6
170.10893	8.5
171.11696	31.8
172.12503	3.3
173.09595	7.9
173.13243	26.2
175.11203	10.2
175.14821	16.8
177.12833	3.5
179.08594	11.2
181.10101	12.8
182.10915	8.0
183.11688	21.8
184.12447	3.5
185.09645	6.0
185.13280	16.5
187.14833	12.6
193.10092	5.3
194.10905	10.5
195.11703	13.1
196.12547	6.6
197.13281	20.7
198.13966	5.9
199.11169	4.0
199.14816	15.7
201.12660	8.1
201.16316	8.0
203.14368	3.1
207.11700	5.7
209.13219	21.5
211.14818	7.6
213.12738	10.0
213.16396	6.6
215.14287	4.7
221.13197	5.0
221.89368	3.2
223.14711	5.2
225.13129	2.8
225.16426	6.2
227.14378	14.5
229.15930	2.8
237.16371	4.3
239.17903	7.8
249.16370	3.5
253.19466	5.7
255.17326	10.2
257.19012	5.4
265.19543	6.1
267.17297	3.9
269.18936	4.2
349.25174	9.5
367.26599	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01864	6.3
55.05264	2.3
55.05511	21.3
56.35858	1.4
56.96563	9.6
57.03441	16.0
57.07054	2.4
65.03950	2.7
66.29694	1.4
67.05502	61.0
69.03417	4.7
69.06731	2.8
69.07070	38.5
69.99182	7.8
71.04981	4.3
71.08647	2.1
79.05489	50.2
81.03399	2.2
81.07054	100.0
83.04972	7.6
83.08624	14.2
85.02881	1.9
85.06533	4.2
86.09690	1.5
91.04899	2.2
91.05473	42.7
93.06475	3.2
93.07037	46.5
95.04954	11.1
95.08604	50.6
97.02864	2.2
97.06536	10.7
97.10169	3.7
99.08096	2.8
105.07029	44.7
107.04961	6.8
107.08586	40.0
109.06503	13.9
109.10153	29.2
111.08081	4.6
111.11704	1.6
117.07011	10.5
119.08572	34.5
121.06528	6.0
121.10124	24.7
123.08042	8.7
123.11692	12.2
125.09634	5.1
128.06203	1.7
129.07024	5.1
131.08589	15.8
133.10117	32.8
135.08057	6.4
135.11670	12.3
137.06018	2.0
137.09601	5.2
141.06908	2.6
143.08537	5.5
145.10101	16.4
146.99683	3.1
147.08000	4.2
147.11682	22.4
149.09613	10.1
149.13281	15.6
151.11183	6.2
157.10164	7.3
159.11684	15.0
161.09618	2.2
161.13277	7.5
163.11172	8.9
163.14807	9.7
165.09178	2.0
165.12770	4.0
169.10146	3.6
171.11707	3.9
173.13268	5.2
175.11177	3.4
175.14833	6.1
177.12721	4.5
177.16434	4.8
179.10606	1.8
183.11732	2.3
185.13286	2.5
187.14751	3.1
189.12718	2.1
189.16310	10.8
195.13762	3.7
197.13184	2.5
199.14813	2.0
203.17953	7.9
205.12106	1.9
205.19534	5.2
215.17949	1.8
217.15752	2.8
231.09111	4.4
235.17067	1.9
239.17909	2.8
247.20551	4.2
255.08920	2.6
257.19031	5.9
259.12152	2.9
268.46899	2.0
269.10550	9.9
269.17459	2.8
275.20044	41.8
287.11615	7.3
293.21152	3.5
315.11136	2.6
331.22723	1.6
349.16861	6.2
349.23718	6.8
367.17670	21.0
367.24829	20.2
367.33560	6.3
385.18994	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01855	8.3
55.05510	25.6
57.03429	23.5
57.07071	2.3
65.03956	1.9
67.05500	71.8
69.03424	4.2
69.07062	31.2
70.02776	7.4
70.03185	5.0
71.04993	5.6
79.05059	3.8
79.05486	45.7
81.03407	6.2
81.07053	100.0
83.04993	11.8
83.08614	14.6
85.06538	3.9
91.05476	40.7
93.07038	40.8
95.04967	12.3
95.08597	41.5
97.06533	12.5
97.10135	5.9
98.20832	3.0
104.30531	2.2
105.07022	37.0
107.04945	7.2
107.08596	27.7
109.02863	2.2
109.06490	13.0
109.10148	22.7
111.08048	2.9
115.05478	2.4
117.06993	6.2
119.08570	30.1
121.06480	4.4
121.10136	13.3
123.08047	7.0
123.11694	9.5
125.09637	8.2
129.06981	3.5
131.08557	19.1
133.10118	23.1
135.08051	4.6
135.11668	10.7
137.09619	4.7
137.13364	2.5
145.10118	13.8
147.04402	3.9
147.11693	21.1
149.09610	15.0
149.13242	7.2
151.11237	3.1
157.10089	6.5
158.65955	2.6
159.11658	9.2
161.13269	4.6
163.11179	6.8
165.12720	7.9
169.10101	2.7
171.11661	3.9
173.11763	3.1
173.13202	4.4
175.11070	3.6
177.12738	2.7
185.13210	2.2
189.11116	3.3
195.13693	2.5
229.19426	2.8
235.07442	2.6
239.17970	3.2
240.88115	2.1
247.20511	4.2
257.19009	7.7
275.17264	3.6
275.20074	42.4
293.21121	5.2
349.23660	8.3
367.11743	5.9
367.20801	38.9
367.24832	18.7
368.20526	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01861	9.3
55.05270	2.1
55.05512	26.8
55.99244	1.8
56.82818	1.7
57.03438	15.6
57.07061	2.6
65.03915	2.5
67.05504	54.5
69.03414	7.7
69.07065	21.8
69.46004	12.9
69.46410	3.4
71.04976	2.8
76.66960	1.8
79.05495	48.9
80.90468	1.6
81.03406	3.7
81.07055	100.0
82.07366	1.7
83.04967	7.6
83.08618	13.8
85.06514	5.2
91.05479	41.7
91.06023	3.8
93.07043	36.8
95.04972	9.6
95.08050	3.0
95.08602	33.7
97.06521	11.3
97.10172	6.4
99.08076	3.0
105.07029	37.2
107.04237	1.6
107.04957	10.7
107.08604	25.5
109.06502	11.5
109.10155	14.6
111.08065	5.0
117.07022	11.5
119.08575	33.3
121.06535	3.6
121.10154	16.8
123.08094	8.4
123.11705	7.5
125.09613	4.3
129.06952	2.9
131.08583	14.0
133.10118	25.2
135.08018	5.3
135.11732	9.5
137.09607	6.4
139.11211	2.0
142.07831	2.1
143.08481	3.3
143.41104	1.7
145.10118	15.2
147.11685	20.4
149.09593	9.0
149.13239	6.8
151.11176	4.9
157.10104	5.1
159.11707	10.4
161.13228	4.2
163.11189	5.6
165.12761	5.8
171.11589	2.7
173.13202	6.2
175.11113	2.0
177.12767	4.8
184.83029	1.8
185.13316	2.3
189.11174	3.9
189.16357	1.9
190.77664	2.0
193.12172	2.7
195.13879	2.7
229.19518	4.4
239.17917	3.0
247.20612	6.2
257.18967	6.4
269.17422	4.3
275.20059	43.8
276.20398	1.9
285.10004	2.8
293.21170	5.4
307.72946	1.8
322.98309	1.8
349.23810	10.4
367.24969	18.2
373.29630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01869	8.2
55.05513	21.6
56.96561	2.6
57.03442	17.4
65.03926	4.5
67.05502	55.3
68.05830	2.1
69.03428	3.3
69.07067	34.9
69.30682	18.0
71.04992	6.4
79.05492	42.0
81.03423	3.1
81.07057	100.0
83.04984	5.8
83.08624	14.2
85.06541	3.7
91.05481	34.0
93.07050	34.7
95.04975	13.6
95.08605	32.5
97.06522	12.0
97.10181	3.4
98.20778	2.9
99.08087	4.9
103.19069	1.6
105.07034	30.8
107.04974	11.5
107.08589	24.0
109.06522	15.9
109.10133	16.2
111.08097	5.2
117.07035	10.2
119.08583	23.4
121.06511	3.9
121.10130	15.1
123.08053	6.4
123.11732	8.3
125.09639	4.1
129.06998	3.8
131.08580	8.5
133.10136	17.4
135.08044	6.1
135.11647	9.1
137.06015	2.9
137.09631	4.7
143.08563	3.2
145.10150	12.3
147.11705	22.1
149.01207	2.3
149.09613	11.4
149.13263	6.8
151.11154	2.4
157.10135	5.8
159.11731	7.8
161.09561	2.0
161.13251	3.7
163.11215	6.6
165.12749	6.8
169.10095	2.4
171.11626	2.8
173.13237	3.7
174.97423	1.7
175.11223	3.3
177.12756	4.7
179.14229	2.1
183.11583	2.5
189.11359	2.0
195.13853	2.2
197.13292	2.2
201.12718	1.8
208.79651	1.7
247.20583	4.2
257.18991	3.2
275.20038	31.2
276.20218	2.8
293.21133	5.6
308.01724	1.7
349.23599	6.9
367.24823	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
53.49488	1.5
55.01851	7.0
55.05509	21.3
57.03202	1.5
57.03436	13.5
61.97571	1.5
67.05501	47.1
69.03423	4.0
69.07064	34.3
70.67658	1.7
70.68017	6.0
71.04984	3.4
74.13116	1.7
79.05061	2.9
79.05491	38.3
80.35402	1.6
81.03392	2.1
81.07053	100.0
83.04961	6.7
83.08617	10.0
84.29432	1.7
85.06548	4.2
90.08217	1.9
91.05479	29.1
93.07045	29.5
95.04950	11.7
95.08608	24.7
97.06506	10.2
97.10188	2.8
99.08079	4.1
105.07021	30.1
107.04945	6.3
107.08600	16.5
109.06506	12.2
109.10165	10.3
111.08062	4.8
115.05371	1.6
117.07021	7.2
119.08566	23.5
121.06509	3.2
121.10138	12.0
123.08049	8.2
123.11710	7.6
125.09621	3.8
129.06950	3.4
131.08556	12.0
133.10110	14.3
135.07967	3.6
135.11674	6.8
137.09598	5.1
143.08546	2.4
145.10089	9.6
147.11694	18.3
149.09566	8.1
149.13248	8.2
151.11111	4.3
157.10123	3.3
159.11682	8.5
161.13309	3.6
163.11162	5.2
165.12767	6.8
173.13254	3.5
175.11151	3.1
175.14922	2.3
177.12755	2.4
177.88808	1.8
183.11661	1.9
187.14784	2.0
194.36348	1.9
215.18025	2.3
257.18988	3.6
261.27786	1.8
272.09949	2.1
275.20056	23.2
293.21051	3.5
309.84039	1.9
349.23499	3.1
367.24777	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01855	8.3
55.05510	23.2
56.96540	6.2
57.03435	15.9
62.39482	2.2
65.03934	3.8
67.05499	65.3
68.99306	2.0
69.03417	2.7
69.07066	31.0
70.24178	9.1
71.04971	5.1
79.05487	49.5
81.03397	2.5
81.07050	100.0
83.04965	7.4
83.08613	12.2
85.06535	4.4
89.03914	4.0
91.05478	36.0
93.06480	2.6
93.07044	39.1
95.04954	13.0
95.08595	38.3
97.06535	14.8
97.10149	5.5
99.08076	2.6
101.10303	2.0
105.07020	38.4
107.04968	9.9
107.08591	24.1
109.06486	8.3
109.10142	19.2
111.08042	5.6
117.03370	9.5
117.07029	11.3
119.08575	23.0
119.20737	2.0
121.06534	4.9
121.10134	14.0
123.08062	8.5
123.11698	9.0
124.07576	2.5
125.09632	5.7
129.07011	4.4
131.08571	15.3
133.06427	2.8
133.10107	20.6
135.08046	6.1
135.11688	8.8
137.09598	7.0
143.08496	3.0
145.02866	16.2
145.10139	14.7
147.11665	20.9
149.09573	10.3
149.13257	7.6
151.11163	4.0
157.10089	4.6
159.11696	13.3
161.09596	2.6
161.13239	5.7
163.11197	5.5
165.12718	6.0
169.10129	2.3
171.11745	3.1
173.13243	5.1
175.11205	4.6
177.05464	25.0
177.12801	3.4
179.14320	2.5
187.11108	2.2
187.14749	3.2
189.11185	2.9
244.91136	2.2
247.20628	4.6
257.18970	9.1
269.17459	4.0
271.61511	2.1
275.20053	53.8
276.20447	3.4
293.21100	5.8
349.23520	7.6
367.20990	4.1
367.24802	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01871	5.6
55.05507	26.8
57.03429	7.9
57.07053	2.2
65.03916	0.8
67.05498	21.6
69.03424	3.9
69.07061	25.9
71.04989	1.3
71.08231	1.6
71.08625	28.2
79.05486	16.2
79.05897	0.5
81.03415	4.5
81.07051	22.2
83.04983	5.1
83.08614	6.7
85.06505	0.9
91.05466	9.0
91.46597	0.7
93.07043	13.0
94.17516	0.7
95.04962	7.2
95.08598	9.4
97.06524	2.2
97.10171	9.0
98.20719	1.6
99.08090	22.5
104.45361	0.7
105.07016	6.4
107.04955	2.9
107.08583	10.3
108.05703	1.0
109.06505	3.1
109.10149	7.4
111.08089	2.1
112.78586	0.6
113.05993	0.7
113.40340	0.7
117.06993	2.7
119.08577	3.5
121.06500	3.3
121.10148	5.0
123.08035	1.3
123.11669	1.6
125.09627	8.2
131.08546	2.0
133.10139	3.7
135.08043	2.4
135.11703	2.3
139.11163	2.5
142.34602	0.7
143.08525	0.9
143.94055	1.0
145.10130	1.2
147.11665	1.7
149.09628	1.6
149.13220	1.6
151.11162	2.2
155.08521	1.0
159.11732	1.6
163.11252	0.8
165.12766	2.1
167.10651	4.9
171.10327	0.8
173.11824	1.4
173.13248	0.9
175.14743	0.8
177.12778	2.6
189.11250	4.4
195.11571	0.8
195.13728	1.1
221.13361	0.8
227.12721	0.9
229.29712	0.6
237.14716	0.8
247.20541	2.1
257.18958	1.0
265.21661	1.2
275.20026	9.9
293.21091	100.0
294.21451	4.8
314.41669	0.7
318.19290	0.7
324.18997	0.8
367.24881	21.6
368.25101	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97991	1.9
53.03940	4.8
55.01872	12.0
55.05505	27.3
57.03444	17.8
57.07069	4.1
58.61273	2.1
66.18297	2.1
67.05504	58.7
69.03419	3.9
69.06721	2.9
69.07064	28.3
70.07396	2.6
70.25913	10.2
71.04987	5.0
79.05491	46.6
81.03409	5.7
81.07052	100.0
81.07529	5.4
83.04971	10.8
83.08601	13.1
85.06549	4.3
91.05485	35.6
93.07037	35.9
95.04960	12.5
95.08605	36.3
97.06533	16.7
97.10168	6.2
98.50867	2.2
99.08087	4.1
105.07027	39.0
107.04944	9.0
107.08593	31.5
109.06508	12.6
109.10144	20.5
111.04473	3.1
111.08115	3.7
116.78816	2.7
117.06982	11.8
119.08569	27.2
121.06475	3.9
121.10141	17.1
123.08061	9.2
123.11699	8.4
125.09620	7.8
129.07005	6.1
131.08577	18.2
133.10124	25.3
135.08051	6.9
135.11684	8.2
137.09610	4.7
143.08611	3.3
145.10117	13.8
147.11716	22.0
149.09634	10.2
149.13229	6.9
151.11168	5.6
156.14316	2.3
157.10132	4.1
159.11661	11.7
161.09590	3.1
163.11206	8.8
165.09151	2.7
165.12767	6.5
169.10176	2.3
171.10207	3.6
171.11612	4.2
173.13219	3.9
175.11171	3.2
177.12764	3.4
186.60555	2.1
189.11201	4.8
194.52306	2.2
195.13716	2.4
206.41939	2.0
217.15967	2.4
219.91953	2.1
225.58699	2.0
227.12779	2.8
229.19460	3.1
239.17941	3.3
247.20599	7.2
251.19986	3.6
257.19006	6.1
265.21533	3.0
269.17340	2.9
275.20020	46.1
293.21030	3.7
307.04010	2.5
349.23645	10.1
367.24918	17.3
386.60352	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56736	1.9
53.03934	3.4
55.01865	9.6
55.05508	53.8
56.05840	1.7
57.03437	19.1
57.07066	2.1
65.03904	1.6
67.05502	54.2
69.03415	4.8
69.07069	17.3
69.31618	1.6
71.04988	4.8
71.08230	2.9
71.08629	56.5
71.09915	1.6
71.58216	3.1
76.47284	1.7
79.05491	50.3
81.03412	7.4
81.06583	3.2
81.07051	51.2
83.04970	8.6
83.08604	16.2
85.06541	3.0
91.05482	20.9
93.07037	27.0
95.04961	18.6
95.08605	19.9
97.06515	4.7
97.10159	25.8
99.08083	42.6
103.05452	1.7
105.07024	14.3
106.68902	1.7
107.04939	7.7
107.08602	27.6
109.06495	3.7
109.10134	16.3
111.08053	4.8
111.13432	1.6
116.98454	3.6
117.07044	9.8
119.08582	9.2
121.06468	5.2
121.10149	10.3
121.10892	1.9
123.08045	2.9
123.11681	2.4
125.09619	24.2
129.06953	4.0
131.00024	6.7
131.08549	8.2
133.10130	10.5
135.08060	6.5
135.11682	4.2
137.05916	1.7
139.11151	4.8
139.83578	1.8
140.98409	2.2
143.08583	2.9
145.01747	1.6
145.10107	6.7
147.11667	5.3
149.09625	2.3
149.13287	5.0
151.11206	3.5
153.09068	3.6
157.10165	3.0
159.07976	2.0
159.11670	4.3
161.09595	1.8
161.13191	2.6
163.11168	6.0
165.12753	8.1
167.10652	2.0
169.10165	2.1
170.99553	1.9
173.13120	2.1
174.98993	5.7
177.12674	3.4
185.01115	3.5
189.00565	12.9
189.11258	15.5
199.02718	1.8
202.98569	1.8
203.02069	4.8
213.39394	1.8
215.14384	1.9
233.59148	1.6
241.07413	2.7
247.20480	2.4
267.16037	3.2
275.20087	27.0
293.21106	100.0
294.21378	3.7
297.06308	2.2
349.21524	1.8
367.14050	2.7
367.25113	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
53.08099	1.1
55.01861	5.3
55.05511	15.2
56.96569	1.6
57.03433	5.1
57.07082	1.6
65.03922	1.6
67.05499	27.6
68.05833	1.1
69.03411	3.0
69.07071	14.6
71.04977	3.2
71.08625	3.8
71.13032	3.2
79.05490	26.0
81.07053	32.7
83.04973	7.7
83.08610	6.8
85.06541	1.7
91.05474	23.2
93.07035	28.4
95.04974	8.4
95.08604	18.9
97.06527	4.8
97.10178	3.5
99.08118	2.0
103.05443	2.0
105.07027	26.5
107.04942	6.6
107.08588	16.5
109.06503	10.4
109.10139	10.2
111.08071	2.6
115.05476	1.3
115.37833	1.2
116.98509	1.1
117.07009	8.5
118.36282	1.0
119.08575	17.9
121.06483	10.9
121.10131	9.8
123.08052	5.7
123.11747	1.9
125.09616	3.0
129.06998	3.3
131.08551	22.0
133.06490	3.6
133.10133	18.2
135.08037	5.4
135.11679	5.7
137.09630	2.1
139.11137	1.2
141.07013	1.7
143.08553	5.0
145.06516	2.4
145.10124	15.2
145.78662	1.2
147.08037	3.1
147.11682	11.8
149.09630	7.6
149.13271	5.0
151.11243	5.9
155.08588	2.6
157.10109	4.5
159.08092	1.6
159.11694	8.7
161.09642	4.2
161.13261	2.9
163.11151	6.7
165.12794	1.2
169.10110	3.1
169.58850	1.0
171.11635	3.0
173.09666	3.4
173.13211	5.8
175.11206	3.3
177.12732	2.1
183.11752	1.6
185.13187	1.1
187.11192	1.1
189.00493	1.6
191.14328	2.0
197.13232	2.6
201.12863	2.6
207.13773	4.1
215.14409	2.0
215.18004	1.8
219.13797	3.8
229.19496	3.0
233.19080	1.7
239.17885	3.8
247.20625	4.5
257.18982	15.4
259.65842	1.0
275.20050	100.0
276.20370	2.8
290.21332	1.3
293.21149	11.3
316.03323	1.2
349.23761	25.2
367.24841	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	366.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
57.07063	0.9
60.04522	72.9
60.09494	0.7
65.03932	0.7
67.05172	1.1
67.05500	13.0
69.07063	4.5
70.02942	1.6
71.04970	1.0
71.40289	1.0
71.40633	1.1
79.05483	12.3
81.07053	13.8
83.08575	0.8
88.03986	35.5
91.05471	8.2
93.07036	14.2
95.04964	2.2
95.08598	9.4
97.06516	1.1
105.07018	5.0
106.05023	100.0
107.08589	8.0
109.10157	3.9
117.07023	1.9
119.08578	2.9
121.10130	5.8
123.11711	1.6
131.08559	2.8
133.10135	2.8
135.11676	4.4
145.10124	2.4
147.11691	2.2
149.13243	2.4
157.10101	1.2
159.11711	1.5
161.13248	1.9
163.14796	1.1
170.10904	0.7
173.13240	2.0
190.66901	0.7
208.78705	0.7
243.21101	1.6
261.22079	5.6
292.19876	0.9
305.18335	0.7
326.76370	0.7
348.25281	1.4
366.26004	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	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.32489	0.4
57.03438	0.7
60.04525	8.3
66.87422	0.5
67.05507	1.2
69.03416	0.5
69.07078	1.0
70.02919	0.6
70.06604	1.0
70.38722	2.3
71.04977	0.7
79.05488	1.4
81.07034	1.2
84.08167	0.6
85.02887	0.7
85.63234	0.5
86.09705	24.7
87.05585	5.8
91.05462	2.6
92.05009	5.2
93.05818	0.8
93.07027	1.0
94.06575	1.0
95.04979	0.7
95.08596	0.7
97.52203	0.5
100.96960	0.5
103.05470	1.1
105.07018	1.1
106.06571	2.0
107.04888	0.5
107.08588	0.6
108.08119	0.8
109.10189	0.7
110.07164	0.8
112.92709	0.5
115.05521	0.7
117.05763	1.0
118.06538	14.8
119.04900	0.8
119.07336	0.9
119.08563	0.7
120.08102	16.8
121.06483	1.0
127.03872	0.8
128.10730	3.0
129.07036	0.7
130.06528	1.6
132.08089	1.4
133.02881	1.5
133.10129	0.5
134.09656	0.9
136.06175	3.1
136.07628	0.6
137.05910	1.2
144.08093	1.5
146.09662	0.9
147.04395	1.7
152.05632	0.8
157.07646	0.8
160.11192	0.6
162.09145	15.3
162.10495	1.0
163.09955	3.2
164.10756	0.8
166.08617	3.8
173.12859	32.4
176.10666	1.1
190.09787	0.8
191.08121	0.9
196.57716	0.5
201.12337	6.2
202.15889	3.1
203.08237	0.5
207.11328	6.4
221.59282	0.5
230.15404	24.4
231.15651	0.5
235.10846	1.4
248.16528	1.1
274.18073	0.6
277.05444	0.6
292.19067	44.8
293.19556	0.9
307.09827	0.6
366.22772	100.0
367.15555	2.2
367.23123	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10701	0.7
53.98521	0.8
55.05506	1.3
60.04523	22.3
67.05510	1.1
67.88776	0.8
69.03426	1.7
69.07066	1.0
69.16698	0.7
70.02948	1.8
70.06586	1.0
71.57034	1.8
72.04523	1.2
73.55275	0.8
81.03429	1.4
81.07055	2.0
83.99664	0.8
85.02905	1.3
86.09704	69.7
87.05592	15.5
91.05480	3.7
92.04995	2.8
93.07050	1.3
93.31866	1.0
94.06579	1.1
95.04957	1.0
97.02872	1.0
103.05469	2.1
105.07013	1.8
106.06578	1.7
108.97709	0.9
112.11217	1.2
113.95895	0.9
118.06528	8.5
119.04918	2.5
119.07333	1.2
120.08100	32.9
128.10695	10.1
129.07008	1.2
130.06500	1.7
131.08582	0.9
133.02808	1.6
133.07579	1.8
136.06207	2.8
137.05968	1.9
144.08134	1.0
147.04407	3.7
149.05963	1.1
157.07631	1.3
161.07126	2.8
162.09120	10.7
163.08688	2.9
163.09898	1.5
166.08621	12.5
173.12857	100.0
174.13162	1.6
175.08742	1.0
190.09720	1.0
191.08257	1.5
201.12338	18.7
202.15887	2.6
203.08173	2.7
207.07648	10.6
207.11174	4.0
230.15373	14.5
232.07295	1.4
274.18481	0.9
279.13480	1.7
279.17001	2.2
292.19037	25.9
323.12274	7.1
366.13196	4.2
366.22772	60.7
367.15509	2.1
371.76913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17336	0.4
55.05497	1.5
57.03422	0.5
60.04518	1.1
67.05491	1.2
69.07065	0.8
69.45084	3.0
69.45520	0.7
70.06583	0.7
71.04986	0.4
72.08150	0.8
79.05499	1.1
81.07043	1.0
83.08627	0.5
85.02893	0.9
86.09687	3.3
87.05580	1.3
91.05474	2.3
92.04477	0.5
92.04994	4.7
93.05790	0.9
93.07020	1.0
94.06557	1.6
95.04930	0.6
95.08604	0.5
103.05405	0.5
105.07018	1.4
106.06572	2.0
106.72208	0.4
109.10159	0.6
117.05724	2.2
118.06541	16.9
119.04944	0.9
119.07333	2.2
119.08588	1.0
119.22916	0.4
120.08098	10.1
129.07028	0.6
130.06514	1.9
131.07318	0.5
131.08470	0.8
132.08076	2.0
133.02853	1.3
134.09639	1.2
134.55159	0.5
136.06190	2.3
136.07581	0.5
143.08618	0.5
144.08131	2.5
145.10115	0.9
146.09599	0.7
147.04410	1.2
147.11632	0.4
149.05978	0.6
160.11224	0.5
162.09128	17.0
163.09920	4.2
166.08638	0.6
173.12909	2.7
201.12457	0.5
202.15878	3.5
207.11281	5.8
230.15388	27.7
231.15744	0.7
235.08012	0.4
235.10809	1.3
248.16483	1.8
274.18161	0.6
277.05225	0.6
292.19046	49.5
293.19388	1.3
304.18985	0.7
307.10242	0.4
366.22742	100.0
367.11523	0.5
367.15671	1.5
367.22968	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01865	8.9
55.05502	2.6
57.03422	8.1
60.04512	7.6
61.02905	5.8
66.66194	1.8
68.99744	3.0
69.03076	3.0
69.03428	38.7
70.06596	3.7
70.91693	4.9
71.04975	6.0
73.02893	5.6
81.03416	26.7
85.02901	100.0
86.03268	1.9
86.09689	8.0
87.00825	48.2
87.04484	2.4
87.05589	3.5
91.05453	3.4
97.02895	33.6
99.04455	14.6
101.02254	1.8
105.01865	75.9
105.02574	3.9
109.02876	27.2
117.01856	3.5
120.08071	3.6
127.02972	3.9
127.03910	74.1
129.01822	4.6
132.01112	2.2
136.06152	2.3
139.34619	1.9
145.04964	33.8
145.06058	1.4
159.02882	11.5
159.11536	1.7
173.12891	9.5
176.65697	1.9
183.47649	1.9
189.03931	4.2
213.03888	3.7
231.05017	21.3
249.05991	7.5
279.69241	2.0
283.05951	2.1
290.37631	2.1
366.23300	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01859	3.9
55.05497	2.2
57.03429	4.7
61.02921	4.7
65.66312	1.0
67.53165	0.9
68.99758	2.3
69.03085	1.9
69.03428	24.8
70.03023	4.8
71.01352	1.0
71.04977	4.3
71.46018	1.2
73.02899	3.9
79.05461	1.4
81.03411	17.2
81.07053	2.2
85.02901	69.9
87.00823	25.7
90.65224	0.9
91.03950	1.6
91.05476	3.0
91.69160	1.0
95.08604	1.5
97.02882	21.5
98.20772	1.1
99.04446	9.7
105.01861	44.4
105.07003	1.4
108.04459	3.0
109.02882	15.6
111.08116	1.5
115.03923	1.4
115.71345	1.0
117.01836	2.4
119.03549	1.8
119.04904	2.0
123.02843	1.2
123.36485	1.0
126.05524	1.4
127.03912	49.0
129.01793	2.6
136.06180	100.0
137.04556	2.2
141.09084	1.2
145.04956	22.1
145.10074	1.4
147.02885	1.4
147.04391	5.3
151.07539	1.3
157.07559	1.9
159.02876	8.8
167.10516	1.0
189.03880	2.4
203.08051	2.1
209.11606	1.5
213.03894	1.2
231.04956	9.9
249.06094	2.3
269.13928	1.1
288.69696	0.9
295.11649	2.9
330.19312	1.4
341.98410	0.9
348.20328	11.4
366.21310	23.3
367.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55824	1.7
56.05020	2.3
56.96577	2.0
58.06589	3.5
64.87993	2.2
70.06589	4.4
70.76300	2.0
70.76663	6.1
71.06119	4.0
72.04503	3.4
72.08115	2.7
74.00668	11.3
76.02227	5.4
77.00604	3.9
81.61054	2.1
84.04513	2.2
86.06068	25.4
88.03983	7.2
95.06068	2.7
98.06036	6.1
99.91266	2.1
102.03760	30.3
110.07156	3.0
111.70070	2.1
113.05940	2.3
115.08648	4.9
118.03247	23.7
120.01167	82.9
120.08138	2.4
126.96721	2.2
130.03215	10.5
136.07610	3.4
142.08672	7.1
144.04761	5.5
146.99626	3.2
147.05861	55.8
148.04259	16.0
156.04738	2.9
164.35754	2.2
165.06934	6.0
166.06180	4.6
173.07426	12.7
184.09677	2.1
185.04060	2.9
192.14998	3.1
204.05559	4.0
204.08786	2.2
219.08005	5.7
234.99002	2.1
236.10632	100.0
266.90732	2.4
333.03448	2.2
348.15866	32.3
366.10922	12.3
366.16016	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	366.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	1.2
56.04991	0.5
56.96558	0.7
57.03440	4.0
57.25974	0.5
58.23233	0.5
59.60729	0.4
60.04523	4.6
61.02906	2.3
67.05481	0.9
69.03079	0.9
69.03425	11.2
69.03790	0.4
69.72170	3.4
70.06572	0.5
71.01329	0.8
71.04981	2.9
73.02885	1.3
79.05482	1.5
81.03405	1.5
81.07037	1.2
84.25489	0.5
85.02879	0.9
86.09712	0.8
88.30151	0.6
91.05469	1.3
95.04970	0.7
95.08593	1.0
97.02895	0.7
98.20824	0.8
99.04427	2.3
105.07024	0.7
106.06546	2.4
109.10093	0.5
116.04974	3.3
116.98601	0.9
117.05518	0.7
118.05290	3.0
121.10165	0.8
124.74806	0.7
129.30125	0.6
131.06047	1.9
132.06813	1.0
133.06635	0.7
133.07608	10.1
134.06021	0.8
143.06039	1.5
144.06815	0.9
145.07593	14.4
146.08351	1.3
147.09138	1.1
155.06122	0.7
157.07623	1.5
159.09125	1.0
161.07100	4.1
163.08672	17.2
170.08395	0.6
171.05534	1.1
171.09146	1.8
173.07072	1.1
175.08669	4.2
176.09372	1.2
177.06606	2.9
184.05695	0.8
189.06563	7.5
191.08090	1.2
193.06281	0.7
200.09454	1.8
201.10263	2.9
202.11024	0.8
203.08115	0.6
203.11797	0.6
207.07639	100.0
208.07939	2.0
213.10283	1.0
214.06570	3.1
214.56880	0.8
215.08047	1.0
215.11771	1.2
217.09700	1.0
229.09663	0.9
231.11230	1.4
232.07152	14.2
232.09465	0.9
249.12202	1.2
261.12326	1.2
277.11841	0.6
279.13379	6.5
287.10162	0.9
305.11298	3.5
323.12350	50.5
324.12625	1.6
330.26474	0.8
348.11893	4.3
348.27377	1.4
366.12927	45.2
366.28534	1.1
367.13397	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01871	0.9
55.05502	3.0
57.03433	1.1
57.07065	1.6
67.05505	5.7
68.45084	0.5
69.07059	4.1
69.24014	0.6
69.24353	6.6
71.08624	0.7
79.05481	3.3
81.03413	0.9
81.07052	4.4
83.04961	1.0
83.08608	1.4
85.06573	1.3
89.61610	0.6
91.05473	2.3
93.07043	3.4
95.04963	1.4
95.08598	3.3
97.06497	0.7
97.10139	0.5
99.08115	0.5
105.07027	2.8
107.04937	0.8
107.08595	3.7
109.06487	2.6
109.10172	1.1
111.04430	0.9
113.06023	1.0
117.07014	0.8
119.08557	2.8
121.10140	1.7
123.08072	7.2
124.08847	1.2
125.05983	0.6
125.09586	0.7
129.06992	0.5
131.08531	1.4
133.10121	2.2
135.08073	2.4
135.11635	1.0
137.06036	1.0
137.09601	1.0
139.07439	0.5
143.08548	0.9
145.10117	1.7
147.11697	1.3
148.56041	0.5
149.09631	1.4
149.13313	0.8
151.07533	5.3
152.08316	4.5
159.11673	0.9
161.09579	1.1
165.09106	18.5
166.09807	1.0
169.10213	0.6
171.11655	0.6
175.11174	1.3
177.09077	0.6
178.09848	0.6
179.10663	3.1
179.14354	0.7
181.12160	0.5
193.12263	1.6
207.13846	0.5
208.14627	1.6
215.22018	0.6
219.13805	0.7
221.15352	3.0
249.18436	1.5
263.20096	1.2
273.18512	1.2
287.99084	0.5
291.19562	2.0
305.24686	3.9
306.24982	0.9
319.26379	5.3
347.25806	52.9
348.26117	2.3
365.26862	100.0
366.27228	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	365.2683
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03936	0.7
55.01853	0.4
55.05510	2.0
57.03437	0.5
57.07084	2.4
59.86252	0.3
64.79981	0.4
67.05501	3.7
68.13440	0.4
69.03430	0.6
69.07076	2.2
72.40746	0.4
79.05494	2.8
81.07053	3.8
83.04989	0.5
83.08613	0.8
85.06532	1.2
91.05474	2.9
93.07030	3.9
95.04958	3.1
95.08594	3.8
97.06527	0.6
97.10146	0.4
98.20803	0.8
105.07042	3.6
107.08582	3.0
109.06518	2.4
109.10147	1.5
111.08056	0.5
117.06999	1.2
119.08579	3.6
121.06542	0.6
121.10142	1.8
123.08048	5.0
123.11686	0.6
124.08857	1.8
128.06239	0.8
129.07002	0.8
131.08598	1.3
133.06496	0.6
133.10129	1.1
135.08067	1.4
135.11700	1.1
137.05998	0.8
138.06674	0.4
139.07549	0.6
141.07024	0.5
142.07761	1.2
143.08565	2.3
145.10146	2.0
147.08063	0.8
147.11691	0.6
149.09636	0.8
151.07527	5.1
151.11195	0.6
152.08333	6.6
155.08609	0.4
156.09392	1.0
157.10103	2.6
159.08099	0.5
159.11707	1.4
161.09621	1.0
161.13240	0.5
163.11154	0.4
165.07024	0.6
165.09125	11.2
169.10139	1.2
170.10974	1.1
171.11739	1.7
173.09662	0.5
173.13341	0.6
175.11064	0.4
177.09085	0.8
177.12794	0.6
179.08640	0.5
179.10687	2.8
181.10097	0.8
181.12276	0.5
182.10857	0.6
183.11737	1.3
185.07965	0.4
185.13246	2.6
187.11230	0.9
187.14780	1.0
189.12775	0.4
190.94814	0.4
193.10139	0.6
193.12206	0.7
194.02449	0.5
194.12993	4.0
195.11635	1.2
197.13338	1.1
204.09259	0.5
207.11778	1.2
207.13806	1.8
208.12492	0.6
209.13307	1.4
211.14931	0.5
213.12651	0.7
219.11726	0.4
221.13281	0.8
221.15344	0.6
223.14832	0.5
235.16963	1.1
237.16479	0.6
247.14743	0.5
249.16269	0.6
249.18585	0.8
251.18033	0.7
263.20035	2.0
277.21710	0.5
288.18842	0.5
291.19623	0.8
306.25134	0.9
319.26401	1.5
343.68323	0.5
347.25919	16.8
348.26251	0.8
365.26907	100.0
366.27335	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37026	3.5
52.99202	2.9
53.03926	4.2
55.01869	4.9
55.05502	15.9
57.03456	5.9
57.07072	7.5
66.29374	3.2
67.05499	38.6
68.36890	3.3
69.03436	5.8
69.07060	14.9
69.31802	34.5
71.04990	4.3
79.05489	23.2
80.93581	3.3
81.07056	29.4
83.04951	6.4
83.08618	8.0
85.06528	5.9
91.05480	37.9
93.07050	45.7
95.04972	47.1
95.08602	27.0
97.06554	9.5
105.07027	55.7
107.08587	31.9
108.39650	3.3
109.06513	15.7
109.10177	20.1
109.78392	3.1
115.05457	5.9
116.06268	3.4
117.07035	21.3
118.97289	3.6
119.08574	59.8
121.06564	5.3
121.10141	18.3
123.08073	6.3
128.06223	9.6
129.07021	16.5
130.07773	5.0
131.08553	24.5
133.10135	18.0
135.08066	14.4
135.11684	7.5
136.60199	3.3
141.07002	7.6
142.07758	25.5
143.08554	47.4
144.09335	11.8
145.06490	4.2
145.10106	40.5
147.08038	8.6
147.11684	6.7
149.09706	4.5
155.08575	18.1
156.09366	21.4
157.10132	72.8
158.10907	3.8
159.11681	28.8
161.09639	8.7
161.13261	11.5
165.06964	8.0
167.08580	12.0
168.09387	7.8
169.10139	22.3
170.10928	15.8
171.11691	29.5
172.12508	6.4
173.09645	7.4
173.13266	12.6
179.08531	18.7
180.09337	5.1
181.10181	17.0
182.10878	10.1
183.11714	31.3
184.12564	4.0
185.09605	4.1
185.13263	78.1
187.11137	16.5
187.14809	19.5
191.08574	4.7
192.09401	6.2
193.10199	21.3
194.10942	11.0
195.11707	33.6
196.12555	8.2
197.09773	4.5
197.13295	24.3
199.11259	5.5
199.14844	8.5
201.12749	8.7
205.16034	4.2
206.10938	9.4
207.11684	32.5
208.12517	13.2
209.13266	31.6
210.14030	5.3
211.11252	4.3
211.14850	12.9
213.12726	8.7
217.15921	4.0
219.11810	9.3
220.12436	10.7
221.13319	23.2
222.13983	6.7
223.14830	21.4
224.15637	4.0
225.16519	5.4
227.14296	4.9
232.12418	4.6
233.13248	11.9
234.14015	7.5
235.14818	11.2
236.15688	6.2
237.16476	12.1
239.14383	7.0
239.18068	4.8
241.15862	5.9
247.14876	12.6
249.16422	13.5
251.17992	14.6
255.17435	7.1
259.14786	8.0
261.16348	5.3
263.17963	11.7
264.18732	4.6
267.17395	8.3
269.19147	4.2
273.16080	4.2
273.18753	4.0
275.18091	4.0
277.16138	4.0
281.18991	7.7
282.19653	5.4
289.19653	5.3
291.17255	9.4
291.19992	5.2
309.18506	6.6
329.22842	5.0
332.21121	4.2
347.23639	36.5
365.24744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01870	3.2
55.05513	20.5
57.03419	5.6
57.07061	9.0
59.05001	6.8
65.03929	3.6
67.05506	46.7
69.03407	9.1
69.07061	30.6
69.44430	26.6
72.09818	3.2
79.05494	35.0
81.07050	35.3
83.05001	5.8
83.08607	10.4
85.06541	7.0
87.30404	2.8
91.05479	42.1
93.07036	43.3
95.04965	68.7
95.08602	50.7
97.02885	6.1
97.06538	10.9
97.10154	4.4
105.07020	53.4
105.07684	4.6
107.08582	42.7
109.06507	18.4
109.10142	20.2
115.05460	5.1
116.04936	2.9
117.07011	17.6
119.08578	60.4
121.06504	8.8
121.10152	19.7
123.08067	13.9
123.11688	4.6
125.09650	4.7
128.06201	10.1
129.06976	19.0
131.08563	35.7
133.10118	32.7
135.08044	25.1
135.11714	10.9
137.09628	7.0
141.06996	11.2
142.07755	19.1
143.08562	35.6
144.09337	8.5
145.06572	3.1
145.10117	41.5
147.08067	10.5
147.11687	11.2
149.09662	4.3
151.11174	4.0
153.06952	4.7
154.07742	5.0
155.08578	14.2
156.09346	19.5
157.10129	47.1
158.10880	7.5
159.08043	5.2
159.11679	46.4
159.12869	4.5
161.09637	10.4
161.13252	6.8
163.67464	3.0
165.07034	12.1
167.08563	11.3
168.09399	8.5
169.10147	26.8
170.10968	13.2
171.11674	33.4
172.08841	4.1
172.12431	7.4
173.09641	8.5
173.13263	11.6
175.11223	5.1
179.08525	16.1
180.09389	10.2
181.10104	25.8
182.10898	6.8
183.11668	33.2
184.12463	7.6
185.09624	5.5
185.13268	28.8
187.11162	18.2
187.14807	18.2
189.11206	4.2
189.12740	6.5
191.14410	3.8
192.09299	5.5
193.10103	25.4
194.10861	13.3
195.11662	42.8
196.12411	15.7
197.09630	3.4
197.13232	25.0
199.11261	4.0
199.14853	8.0
201.12762	5.9
203.14330	6.9
205.10124	6.8
205.15891	9.8
206.10945	10.4
207.11658	29.7
208.12350	13.8
209.13251	27.3
210.13985	6.5
211.14844	12.6
213.12682	13.7
213.16304	3.9
217.10184	3.6
217.15817	4.7
218.10901	4.3
219.11737	12.4
220.12483	8.1
221.13277	26.3
222.14063	10.4
223.11238	3.4
223.14818	25.3
224.15614	5.6
225.12794	8.0
225.16417	5.8
227.14322	10.7
232.12555	3.0
233.13271	11.9
234.14067	9.8
235.14789	14.7
236.15611	7.8
237.12743	4.9
237.16338	17.0
238.17172	4.1
239.14314	7.3
239.17963	5.1
241.15926	5.8
245.13290	5.6
247.14857	12.8
248.15639	4.4
249.16286	21.6
250.17007	5.4
251.14227	3.4
251.17986	12.2
253.15894	5.7
255.17496	6.4
258.13959	3.6
259.14810	6.8
261.16345	6.4
263.14255	3.6
263.18005	15.2
264.18466	3.9
265.16000	8.9
265.19443	7.5
267.17496	8.9
269.19077	5.9
273.16211	6.4
273.18790	3.5
275.17938	4.6
279.17725	3.2
281.19055	11.2
282.19800	4.1
289.19485	8.6
291.16800	5.1
291.19852	20.4
299.18051	6.0
309.18478	3.7
314.20230	4.0
317.19083	4.1
319.24506	2.9
329.22705	3.6
347.23544	33.8
365.24734	100.0
365.32019	4.5
366.24872	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	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89714	5.3
51.70900	5.6
52.61796	5.2
55.01854	8.6
55.05507	33.4
57.03432	13.7
57.07059	5.4
60.35083	5.1
67.05502	52.8
69.03424	11.3
69.07074	38.3
71.04971	6.3
71.57970	9.2
72.72690	4.9
75.67764	5.7
78.28826	5.2
79.05489	49.5
80.40769	6.4
81.07057	39.7
83.04995	7.9
83.08622	8.5
85.02924	6.5
85.06526	7.1
91.05484	45.7
93.07030	50.6
94.52798	5.6
95.04966	63.8
95.08621	31.7
97.02891	7.9
97.06516	8.3
97.10123	7.3
98.97606	7.8
105.07025	64.1
106.05009	5.6
107.08580	46.4
109.06512	16.3
109.10153	35.0
111.08086	6.8
117.07002	22.6
119.08582	55.2
121.06538	10.4
121.10132	42.7
123.11689	7.2
125.09614	13.3
128.06226	6.4
129.06958	11.2
131.08585	35.5
133.10132	27.9
134.99620	10.2
135.08099	12.9
135.11624	11.3
141.06992	12.2
142.07761	21.7
143.08553	33.1
145.10080	35.6
147.08040	10.3
147.11642	8.1
149.09570	9.4
155.08525	24.7
156.09361	11.8
157.08853	8.4
157.10104	45.2
158.10939	6.4
158.54585	5.8
159.11662	22.7
161.09627	20.3
161.13301	7.8
165.07011	14.7
167.08609	9.6
168.09308	7.3
169.10066	30.6
170.10936	10.1
171.11615	31.0
173.09589	7.7
173.13280	25.2
175.11041	8.6
176.62961	5.6
179.08543	15.0
180.09297	11.5
181.10114	19.7
183.11676	32.2
183.48552	6.8
185.09714	7.8
185.13289	20.0
187.14818	11.3
193.10123	21.1
194.10864	8.7
195.11714	25.5
197.13280	21.0
199.14838	10.0
201.12753	14.1
203.05304	6.6
205.10152	5.7
206.10968	8.6
207.11688	28.3
208.12389	7.9
209.13258	26.7
210.14154	6.6
211.11147	7.1
211.14857	9.2
213.12788	8.2
219.11662	8.8
220.12421	6.5
221.13260	17.4
223.14861	12.3
233.13257	17.8
235.14795	11.4
236.15471	7.4
237.16347	9.7
239.01321	5.5
243.11717	9.8
245.13283	7.5
247.14676	10.8
249.16389	17.1
251.17976	9.8
253.15797	8.0
263.17920	15.8
265.15787	10.7
267.17407	6.2
273.18674	9.4
281.19220	8.8
291.19733	38.8
305.18915	7.7
329.22559	6.7
347.23691	27.6
365.10657	10.9
365.24719	100.0
384.29184	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89714	5.3
51.70900	5.6
52.61796	5.2
55.01854	8.6
55.05507	33.4
57.03432	13.7
57.07059	5.4
60.35083	5.1
67.05502	52.8
69.03424	11.3
69.07074	38.3
71.04971	6.3
71.57970	9.2
72.72690	4.9
75.67764	5.7
78.28826	5.2
79.05489	49.5
80.40769	6.4
81.07057	39.7
83.04995	7.9
83.08622	8.5
85.02924	6.5
85.06526	7.1
91.05484	45.7
93.07030	50.6
94.52798	5.6
95.04966	63.8
95.08621	31.7
97.02891	7.9
97.06516	8.3
97.10123	7.3
98.97606	7.8
105.07025	64.1
106.05009	5.6
107.08580	46.4
109.06512	16.3
109.10153	35.0
111.08086	6.8
117.07002	22.6
119.08582	55.2
121.06538	10.4
121.10132	42.7
123.11689	7.2
125.09614	13.3
128.06226	6.4
129.06958	11.2
131.08585	35.5
133.10132	27.9
134.99620	10.2
135.08099	12.9
135.11624	11.3
141.06992	12.2
142.07761	21.7
143.08553	33.1
145.10080	35.6
147.08040	10.3
147.11642	8.1
149.09570	9.4
155.08525	24.7
156.09361	11.8
157.08853	8.4
157.10104	45.2
158.10939	6.4
158.54585	5.8
159.11662	22.7
161.09627	20.3
161.13301	7.8
165.07011	14.7
167.08609	9.6
168.09308	7.3
169.10066	30.6
170.10936	10.1
171.11615	31.0
173.09589	7.7
173.13280	25.2
175.11041	8.6
176.62961	5.6
179.08543	15.0
180.09297	11.5
181.10114	19.7
183.11676	32.2
183.48552	6.8
185.09714	7.8
185.13289	20.0
187.14818	11.3
193.10123	21.1
194.10864	8.7
195.11714	25.5
197.13280	21.0
199.14838	10.0
201.12753	14.1
203.05304	6.6
205.10152	5.7
206.10968	8.6
207.11688	28.3
208.12389	7.9
209.13258	26.7
210.14154	6.6
211.11147	7.1
211.14857	9.2
213.12788	8.2
219.11662	8.8
220.12421	6.5
221.13260	17.4
223.14861	12.3
233.13257	17.8
235.14795	11.4
236.15471	7.4
237.16347	9.7
239.01321	5.5
243.11717	9.8
245.13283	7.5
247.14676	10.8
249.16389	17.1
251.17976	9.8
253.15797	8.0
263.17920	15.8
265.15787	10.7
267.17407	6.2
273.18674	9.4
281.19220	8.8
291.19733	38.8
305.18915	7.7
329.22559	6.7
347.23691	27.6
365.10657	10.9
365.24719	100.0
384.29184	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
53.39854	2.6
55.05516	18.1
55.23718	3.1
57.03431	3.0
57.07062	5.9
65.03946	3.0
67.05501	38.2
69.03429	6.9
69.07068	18.9
70.38674	3.2
71.02397	6.2
71.04967	2.9
79.05487	33.5
81.07054	40.7
83.05004	4.3
83.08628	7.2
85.06543	4.1
90.97558	2.8
91.05490	43.0
92.70650	2.8
93.07047	45.3
95.04979	38.5
95.08593	25.5
97.02881	3.6
97.06508	8.6
105.07027	58.7
105.07686	4.9
106.88424	2.8
107.08588	32.7
109.06506	10.1
109.10153	21.9
114.63137	2.7
115.05421	4.5
116.06293	2.8
117.07030	21.9
119.08577	44.8
121.06512	5.6
121.10142	30.8
123.08070	5.1
123.11731	3.8
125.09653	4.0
127.48090	3.2
128.06194	6.9
129.06964	17.2
130.07791	3.3
131.08568	39.6
133.06496	4.3
133.10149	19.0
135.08020	9.3
135.11717	7.1
135.70537	2.9
137.09608	5.8
141.07040	6.6
142.07791	19.7
143.08563	31.8
144.09335	7.3
145.10130	36.0
147.08080	6.9
147.11668	17.8
149.09657	10.8
154.07838	3.6
155.08530	17.5
156.09344	12.0
157.10109	33.7
158.10893	4.2
159.08075	5.7
159.11676	24.0
161.09654	11.5
161.13261	4.5
163.11127	3.3
163.98685	3.6
165.06984	8.7
167.08586	10.3
168.09377	9.3
169.10127	21.8
170.10895	7.6
171.11716	22.5
173.09625	10.7
173.13266	33.5
175.11241	6.7
175.14766	3.4
177.12793	4.2
179.08507	8.6
180.09302	6.6
181.10100	13.6
182.10988	7.3
183.11685	27.9
185.09592	3.2
185.13258	10.9
187.11174	6.4
187.14856	4.6
189.12636	4.7
191.14372	16.1
192.09430	6.0
193.10106	17.7
194.10904	6.1
195.11681	21.2
196.12430	5.3
196.67851	3.0
197.13301	18.7
199.11115	5.4
199.14900	4.4
201.12796	9.8
204.08598	3.5
205.10155	4.8
206.10881	5.2
207.11708	20.5
208.12469	5.7
209.13202	16.5
211.11180	4.2
211.14856	13.1
213.12724	4.2
215.14433	4.6
216.15109	5.3
219.11746	6.4
220.12514	5.5
221.13197	17.5
222.14148	6.7
223.11317	3.7
223.14880	12.9
225.12723	7.1
225.16431	5.8
227.14401	4.1
231.11632	4.5
232.12486	3.8
233.13364	6.4
234.14034	3.3
235.14859	7.1
236.15440	3.0
237.16464	7.1
239.14369	5.3
239.18115	3.2
241.16132	2.9
243.11790	3.7
247.14769	6.3
248.15544	3.9
249.16464	12.2
251.18021	6.9
253.15881	4.4
255.17357	3.4
258.14075	4.2
259.14709	4.7
263.14206	4.5
263.17972	9.3
264.18820	3.5
265.16006	6.8
267.17490	9.0
269.19138	5.3
271.14972	3.8
273.18756	4.4
273.22156	6.1
281.19037	4.2
291.16940	3.7
291.19769	8.1
294.91730	2.9
297.18555	5.7
309.18384	4.5
319.24207	4.4
329.22858	4.5
330.72516	3.3
337.25351	4.3
347.23636	29.4
365.24762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41478	1.4
53.03949	3.7
53.40946	1.5
55.01868	6.1
55.05508	43.3
56.96563	4.5
57.03435	12.1
59.05029	1.6
65.03946	2.1
67.05502	37.2
69.03430	14.9
69.07067	47.6
69.93077	2.3
69.93488	6.9
71.04973	2.5
79.05489	33.4
81.03429	7.0
81.07053	32.0
83.04976	6.8
83.08622	11.4
83.33983	1.4
84.96062	1.6
91.05474	19.7
93.07050	20.8
95.04956	13.0
95.08611	16.0
97.02894	22.5
97.06528	3.3
97.10163	20.1
98.21394	2.6
98.97585	21.1
105.03432	2.0
105.07021	12.3
107.04933	8.7
107.08598	15.4
109.06503	2.8
109.10160	12.9
110.97572	8.4
111.08085	2.4
116.98633	14.3
117.07011	9.6
117.07732	1.7
119.08572	12.1
121.06499	2.8
121.10147	5.8
123.08056	4.1
125.09618	17.9
128.06273	2.6
128.98613	17.2
129.07008	3.4
130.07895	1.7
131.08569	11.0
133.10133	7.9
134.99654	7.5
135.08038	5.2
135.11716	3.1
137.06006	2.0
137.09610	3.8
143.00221	1.8
143.08537	3.5
145.10129	6.2
146.99651	15.6
147.08067	6.6
147.11662	4.4
149.09639	2.2
149.13246	2.9
157.10110	4.5
159.11693	3.3
161.01265	5.3
161.09581	3.0
163.11148	1.5
170.01384	1.7
170.99654	5.3
171.11749	2.7
175.11183	2.1
177.00732	4.1
177.12675	2.4
187.14725	1.7
189.00693	9.1
189.11266	8.2
189.16351	1.9
195.13843	2.0
201.00708	3.1
205.12225	4.7
207.01859	2.0
219.01883	1.4
223.13298	39.9
227.17937	1.7
231.01778	5.7
249.02823	24.2
249.14922	1.6
256.42365	1.6
267.03882	6.0
270.40793	1.7
272.04453	1.5
273.18439	11.3
291.19537	100.0
292.19833	3.1
305.01791	18.9
323.02856	8.2
346.04492	2.5
347.22064	1.8
365.19003	2.6
365.23221	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01860	16.7
55.05507	40.5
56.96558	9.2
57.03443	21.4
57.07079	3.3
65.03383	3.3
65.03930	5.5
67.05502	87.6
69.03421	11.1
69.06786	2.9
69.07069	30.6
70.00465	18.2
71.04975	10.8
72.72382	3.6
73.02911	4.4
74.96857	3.7
79.05486	84.7
81.03414	15.6
81.06580	6.6
81.07050	100.0
83.04964	19.9
83.08631	14.5
85.02869	3.6
85.06533	8.1
91.05475	98.3
93.07037	66.3
95.01337	3.4
95.04963	27.6
95.08598	43.5
97.02885	4.8
97.06506	9.6
97.10164	7.3
97.29049	2.8
98.97587	6.9
99.08029	3.7
103.05441	3.3
105.07030	82.2
107.04959	31.4
107.08593	55.3
109.06522	19.2
109.10156	46.9
111.04427	4.4
111.08067	12.1
116.98610	9.5
117.07032	18.7
118.27584	3.0
119.08569	30.3
121.06490	17.2
121.10126	20.5
123.08057	11.4
123.11685	9.6
128.06226	6.2
129.06995	10.3
131.04958	3.3
131.08580	32.7
133.06482	23.2
133.10118	89.4
134.99646	10.3
135.08035	27.3
135.11642	16.6
137.05969	3.9
137.09592	6.7
139.07556	7.1
143.08559	14.3
145.06441	5.0
145.10156	18.1
147.08028	9.4
147.11641	12.0
149.09645	20.8
149.13264	3.9
151.11177	40.3
156.03705	3.1
157.10144	12.3
159.08066	8.2
159.11678	9.3
161.09615	15.7
161.13257	8.7
163.11166	8.8
169.10040	4.6
169.12207	6.1
171.08185	3.7
171.11655	9.0
173.13293	5.6
175.11211	8.2
177.09113	9.9
177.12724	5.1
179.10622	3.7
179.14214	3.9
187.11157	3.1
189.12648	5.0
189.16365	7.3
206.83565	3.0
213.12732	3.1
219.69701	3.2
227.18004	5.5
232.99789	3.8
245.19035	10.7
253.14247	16.4
255.17361	4.4
263.20044	8.9
269.10727	3.6
269.13693	5.9
273.18503	39.4
285.10052	4.3
291.19498	31.8
309.20480	3.1
345.12985	3.3
347.21948	5.0
365.23227	36.9
365.33197	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32292	1.1
53.03938	2.3
55.01867	7.2
55.05510	37.2
56.96556	4.0
57.03436	8.9
61.02913	1.3
65.03925	1.5
67.05505	35.7
69.03424	14.6
69.07065	43.8
70.70628	3.7
71.04966	3.5
73.02888	1.2
79.05491	31.9
81.03416	5.3
81.07051	25.0
83.04984	4.6
83.08621	10.0
85.06519	1.2
91.05474	16.8
93.07041	23.7
95.04974	12.3
95.08598	16.7
97.02891	18.7
97.06530	4.4
97.10171	17.1
98.97588	2.2
105.07027	12.3
107.04917	6.7
107.08590	17.7
109.06500	4.1
109.10155	12.8
111.08048	1.3
115.05503	1.3
116.98627	2.2
117.07007	8.3
119.04983	1.5
119.08568	13.9
120.78036	1.5
121.06487	2.7
121.10160	6.2
121.34000	1.5
123.08066	5.5
124.92167	1.1
125.09628	13.7
128.06172	1.6
129.06995	3.8
131.08607	8.0
133.06496	2.6
133.10147	6.7
135.08078	5.8
135.11670	3.3
137.09579	6.1
143.08585	2.4
145.10057	5.6
147.08038	6.3
147.11705	2.7
149.01198	1.6
149.09618	2.2
149.13306	1.8
153.09094	3.1
157.10100	3.4
159.11676	3.6
161.09587	2.7
163.11171	1.2
165.09096	2.1
167.08453	2.0
169.95142	1.1
171.10197	1.7
171.11652	2.6
173.13211	1.4
175.11200	2.7
177.00694	1.8
177.12753	1.6
183.79730	1.2
185.13252	2.1
187.11067	1.4
189.11214	6.6
195.13731	1.9
205.12164	3.1
223.13274	33.6
227.12804	1.6
227.17944	1.3
230.24178	1.2
245.19070	2.6
255.17505	2.9
263.20056	2.1
267.08987	2.7
273.18442	15.4
284.12753	8.2
285.10043	11.0
291.19522	100.0
292.19708	1.5
349.16858	1.5
365.23187	39.2
365.31250	1.7
371.99249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01856	9.7
55.05510	28.6
56.96566	13.5
57.03437	65.2
57.07065	4.7
64.91287	2.0
65.03922	4.9
67.05501	72.1
68.37514	1.8
69.03416	8.8
69.07061	34.9
69.39724	17.4
71.04966	5.2
79.05063	3.7
79.05492	45.6
80.18230	1.8
80.97240	1.9
81.03397	8.4
81.07053	44.1
83.04960	6.0
83.08611	10.8
85.02863	2.8
85.06074	3.5
85.06543	46.3
91.05480	41.9
93.07036	43.3
95.04362	4.2
95.04963	72.0
95.08605	26.9
97.02872	8.7
97.06506	6.6
97.10143	10.6
98.97552	5.5
105.07021	31.1
105.66451	2.4
107.04935	14.5
107.08593	28.3
109.06511	51.9
109.10155	12.4
111.08023	3.7
113.05999	100.0
116.98662	3.9
117.07009	16.9
119.08584	22.6
121.06493	6.3
121.10134	15.3
123.08057	7.1
123.11681	3.2
125.09623	7.8
127.07552	3.8
128.06174	3.6
128.98566	2.9
129.07028	9.9
130.07834	2.3
131.00140	3.6
131.08551	20.6
133.06497	5.4
133.10118	15.7
133.55756	2.1
134.99628	3.3
135.08044	34.5
135.11688	15.3
137.09627	3.1
141.01537	2.2
141.06955	2.3
143.08537	8.0
145.10120	17.8
146.97441	2.0
146.99686	4.0
147.08063	9.8
147.11714	10.0
149.01216	5.4
149.09593	5.9
149.13235	7.1
157.10103	6.5
159.11729	10.9
161.09607	8.7
161.13237	3.7
163.11145	4.0
165.09132	2.6
167.02219	2.3
171.11652	7.1
173.09564	2.8
173.13274	4.0
175.11162	6.6
177.00699	5.2
177.12776	5.6
187.14864	3.5
189.00687	5.0
189.11229	3.6
189.12778	2.7
195.13765	3.7
199.11203	2.9
199.14816	2.7
201.12758	2.9
217.15891	13.5
223.13240	6.0
227.17828	3.8
231.09007	5.7
233.15417	2.9
245.18871	4.2
255.17413	3.1
269.10544	12.8
273.18491	33.1
277.21628	7.2
287.11609	5.8
291.19537	68.2
293.05405	3.8
321.05093	3.4
365.23169	26.2
365.32056	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99001	3.3
53.03938	8.2
54.54671	2.6
55.01859	11.6
55.05510	48.1
56.96563	12.8
57.03230	2.8
57.03443	28.0
57.07058	4.8
65.03952	4.2
67.05133	3.2
67.05502	66.7
69.03418	11.6
69.07068	25.7
71.04995	9.5
71.31267	5.9
76.49674	2.7
79.05492	70.4
81.03424	5.8
81.07052	80.8
82.07407	4.0
83.04973	15.5
83.08623	13.4
85.02896	4.2
85.06509	7.2
86.06084	6.2
90.56686	3.0
91.05479	100.0
93.07039	64.1
94.52560	2.7
95.04967	35.6
95.08592	34.2
97.02891	12.5
97.06529	11.8
97.10155	9.6
98.97536	3.7
99.40486	2.7
102.24702	3.7
103.05460	3.7
105.07034	70.2
105.71529	2.7
107.04951	19.7
107.08594	32.5
109.06515	26.9
109.10149	13.4
111.08090	6.0
113.06017	3.4
115.05448	8.8
115.20495	3.0
117.07005	47.5
119.08588	47.6
121.06516	10.7
121.10105	19.3
123.08047	8.5
125.09641	10.1
125.50278	3.6
128.06223	21.6
128.98607	3.5
129.07001	29.4
130.07816	7.6
131.08559	65.4
133.06500	13.8
133.10121	29.6
135.08040	27.8
135.11696	10.2
136.06165	3.4
137.09601	6.0
139.11212	7.8
141.07024	8.3
142.07782	6.1
143.08566	62.0
145.06476	4.5
145.10124	72.4
147.08090	19.0
147.11642	19.1
149.09633	10.8
149.13303	5.3
155.08617	4.6
157.10156	24.8
159.08015	7.0
159.11653	17.2
161.09601	19.4
163.11168	5.6
165.07021	3.6
169.10135	10.3
171.11728	19.1
173.09596	5.8
173.13261	5.4
175.11172	13.8
177.12750	7.8
181.10112	11.2
183.11705	10.4
185.09586	5.5
185.13255	7.1
187.11215	6.3
189.11230	4.2
189.12744	7.0
195.11659	19.4
197.13223	3.7
199.11163	5.1
200.59215	3.0
201.12767	5.7
209.13278	4.1
213.12764	3.5
213.33749	3.0
217.07652	4.6
217.15924	10.7
227.17949	6.6
237.16333	10.9
245.19073	10.8
255.09074	8.6
255.17418	11.9
263.20135	3.8
273.10233	14.1
273.18457	70.2
278.10776	4.7
284.12753	5.4
291.19473	20.0
347.22180	12.2
355.39819	3.0
365.16330	6.2
365.23215	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.1
55.01858	11.0
55.05508	41.6
56.96546	13.0
57.03434	23.7
65.03933	4.3
67.05177	4.3
67.05502	58.2
68.31406	2.8
69.03421	7.9
69.07066	34.6
70.09267	3.5
70.09563	16.7
71.04992	5.4
78.98000	2.7
79.05066	5.2
79.05492	70.6
81.03423	4.3
81.06592	4.1
81.07051	61.2
83.04948	8.3
83.08601	14.2
91.05479	100.0
93.07043	60.2
95.04966	18.3
95.08601	40.2
97.06522	8.3
97.10158	14.3
100.43240	2.8
103.05465	3.7
105.07031	70.4
107.04948	11.8
107.08586	32.8
109.06518	19.9
109.10170	15.3
111.08066	8.4
115.05453	10.9
117.07023	45.1
119.04925	4.0
119.08580	40.5
121.06481	10.8
121.10137	16.6
123.08067	9.3
123.11671	5.5
125.09650	7.3
128.06206	18.1
129.07028	27.3
130.07759	11.6
130.75919	3.2
131.08566	78.1
131.99829	3.0
133.06453	9.1
133.10101	24.3
135.08054	21.4
135.11682	8.2
137.09528	4.8
141.06987	9.0
142.07729	7.2
143.08553	73.0
143.74701	3.0
145.06471	3.9
145.10115	67.4
147.08035	14.5
147.11652	12.6
149.09601	5.8
149.13223	4.5
151.07512	3.3
151.11201	5.9
155.08574	5.1
157.10136	22.9
159.08046	9.0
159.11664	20.6
161.09628	16.0
161.13219	4.9
163.11134	5.0
169.10112	11.3
171.11658	15.7
173.13260	4.3
175.11174	8.7
177.12737	4.8
181.10124	9.9
183.11688	10.7
185.13297	10.1
195.11688	18.3
199.14877	3.5
211.14755	3.8
217.15819	3.9
227.17973	8.8
237.16434	17.6
245.19008	10.0
255.17433	13.8
271.11908	4.2
273.18494	54.2
285.10107	12.7
291.19635	20.5
347.15366	4.5
347.22229	17.1
365.23233	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.01880	14.6
55.02102	3.4
55.05302	2.6
55.05511	25.5
55.47327	2.1
57.03147	4.5
57.03434	83.2
57.07086	4.1
65.03921	7.4
65.59855	2.3
67.05500	74.3
69.03432	7.4
69.07063	21.7
70.06303	12.4
71.04991	8.2
73.02901	6.4
79.05490	62.6
81.03412	5.7
81.07056	71.1
83.04983	8.8
83.08621	9.9
85.02908	9.9
85.06537	41.5
88.65903	2.6
91.05476	68.2
93.07039	61.7
94.49394	2.6
95.04958	70.2
95.08601	68.6
97.06500	14.7
97.10182	5.5
98.21489	3.5
99.08040	2.5
103.05484	2.8
105.07021	66.3
107.04961	19.2
107.08588	40.0
109.06506	63.3
109.10142	17.6
111.08080	4.0
113.05998	100.0
113.06786	5.3
115.05454	5.4
116.06112	2.5
117.06995	23.0
119.04995	3.2
119.08575	57.5
121.06484	12.2
121.10129	23.3
123.08067	10.8
123.11708	4.3
125.09671	3.1
128.06223	6.9
129.06989	15.9
131.07076	3.8
131.08569	33.9
133.06490	7.5
133.10126	45.9
135.08040	66.3
135.11626	14.8
137.09555	4.0
141.06989	4.0
142.07735	4.1
143.08557	16.6
145.06485	3.5
145.10117	32.8
147.08037	16.5
147.11679	24.3
149.09592	16.8
149.13252	15.7
151.11166	4.5
155.08553	5.4
157.10085	12.5
159.11650	18.1
161.09628	17.4
161.13261	11.4
163.11186	10.8
169.10126	3.8
171.11688	8.9
173.09509	3.0
173.13239	8.3
175.11243	9.2
175.14832	4.7
177.12764	8.0
183.11624	4.1
185.13306	5.3
187.11249	3.2
187.14822	9.7
189.12749	4.3
189.16380	68.2
191.17969	5.1
199.11223	3.3
199.14824	8.1
201.12709	4.8
203.14185	3.6
205.15764	3.2
207.17375	3.4
213.12753	3.9
217.15860	25.8
219.13753	3.8
227.17935	4.2
245.19044	7.4
255.17473	10.3
259.61484	2.5
273.18457	64.9
291.19537	30.4
347.18500	3.5
347.22293	5.0
365.19318	21.6
365.23288	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01870	11.6
55.05508	38.9
56.96558	6.8
57.03433	18.7
57.07074	2.5
61.86032	1.2
65.03924	3.8
67.05501	62.2
67.44223	1.2
68.05838	1.4
69.03426	18.1
69.07064	49.7
69.35355	1.2
71.04987	4.0
71.58181	2.2
73.02881	1.3
79.05491	56.8
81.03412	11.7
81.07054	49.9
83.04972	13.7
83.08616	13.8
85.06538	3.2
91.05474	44.8
93.07041	48.8
95.04967	18.0
95.08599	21.6
97.02884	17.5
97.06542	6.8
97.10172	16.3
98.97598	8.4
103.05436	2.6
105.07027	32.2
107.04942	16.4
107.08587	31.9
109.06515	8.8
109.10154	25.1
110.97552	3.6
111.08076	3.6
113.05991	1.7
115.05459	2.7
115.10588	1.4
116.98618	10.1
117.07011	14.7
119.04929	1.9
119.08574	25.6
121.06490	7.2
121.10140	12.6
121.79498	1.4
122.40043	1.6
123.04420	2.6
123.08074	6.6
123.11681	5.3
125.09617	13.4
128.06212	3.0
128.98621	10.7
129.05492	1.9
129.06992	6.8
131.08563	18.5
133.06487	9.3
133.10126	28.8
134.99652	10.1
135.08034	13.0
135.11681	6.6
137.09615	4.8
139.07596	1.9
141.06938	2.0
143.08569	4.7
145.06546	2.0
145.10098	10.8
146.99660	10.7
147.08041	9.2
147.11662	6.8
149.01184	1.5
149.09642	9.5
149.13249	4.6
151.11171	11.6
153.00674	2.4
156.23154	1.4
157.10118	5.0
159.07999	3.7
159.11659	7.0
161.01190	2.2
161.09637	8.3
161.13284	2.8
163.07520	1.5
163.11183	4.3
165.00708	2.0
165.09065	4.4
169.10059	1.6
170.01233	1.6
170.99596	3.9
171.11710	5.1
173.11720	1.3
173.13245	2.1
175.11229	4.2
175.14821	1.4
177.09059	3.1
177.12769	3.7
179.10593	2.3
185.13280	4.0
187.11206	1.3
189.00749	11.3
189.11230	7.0
189.12717	1.8
189.16432	2.1
195.13837	2.6
199.11102	1.6
201.00693	1.5
205.12251	3.4
207.01712	2.0
212.02335	1.9
213.12549	1.8
223.13280	32.7
227.12720	1.6
227.17870	2.1
231.01591	1.5
245.19022	3.7
249.02872	8.7
253.14320	2.7
255.17371	3.2
263.20120	3.9
272.04480	2.1
273.18484	27.2
291.19525	100.0
292.19891	3.4
301.88132	1.5
305.01697	9.9
323.02832	6.0
346.04269	1.8
347.22198	2.4
365.10486	2.2
365.23181	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	365.1596
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
51.02383	0.8
53.03938	2.5
55.01877	5.3
55.05508	7.3
56.96543	1.5
57.03442	5.2
59.04994	0.9
59.24446	0.6
59.68748	0.7
65.03934	4.8
67.05173	1.0
67.05508	12.8
69.03429	1.8
69.07077	6.3
70.06577	0.9
71.01359	1.1
71.04997	3.6
71.57034	1.2
79.05496	17.6
80.95721	0.8
81.03399	3.1
81.07060	13.5
83.04967	2.9
83.08625	3.4
85.02893	0.9
85.06530	1.2
87.04487	0.9
91.05482	25.7
92.05810	0.6
93.03387	2.4
93.07043	12.3
95.04369	0.9
95.04973	14.6
95.08608	8.8
97.02904	1.4
97.06546	4.0
97.10181	1.7
99.04420	1.1
99.08060	1.1
100.31017	0.7
103.05485	3.8
105.03397	7.3
105.04506	0.8
105.07030	17.2
107.04952	6.2
107.08574	5.4
109.02871	1.1
109.06494	6.8
109.10148	2.7
111.04413	0.9
111.08075	2.0
115.05430	2.3
117.07021	8.9
119.04940	6.1
119.08581	9.9
120.05740	0.8
121.02842	1.5
121.06531	5.0
121.10139	2.9
123.04428	7.4
123.08042	2.7
123.11728	0.7
125.02402	0.7
125.09589	1.9
127.03925	1.4
128.06194	2.9
129.05496	0.8
129.07011	6.3
130.07770	1.3
131.04948	4.3
131.08578	8.8
133.02841	3.4
133.06491	4.7
133.10120	5.6
135.04420	4.4
135.08057	6.7
135.11691	2.2
136.06139	0.8
137.05952	2.9
137.09598	2.1
139.03941	0.7
141.07007	3.5
142.07724	1.0
143.08615	5.3
144.05667	0.7
144.97896	0.7
145.02794	0.9
145.06459	4.7
145.10124	9.3
147.04408	2.7
147.08054	3.0
147.11682	4.8
147.34116	0.7
149.05988	3.7
149.09587	2.8
149.13268	0.8
151.03903	4.7
153.06963	1.3
154.07782	2.1
155.03477	0.7
155.08533	1.5
157.06496	1.5
157.10152	4.6
158.07272	0.8
159.04454	3.2
159.08098	2.1
159.11716	5.1
161.05940	1.9
161.09602	2.9
161.13210	0.9
163.03888	2.7
163.07610	1.2
163.11172	1.5
164.04663	1.0
165.05452	3.5
165.06831	1.2
165.12729	0.9
167.03442	0.9
169.10121	3.3
171.08041	2.1
171.11691	2.1
173.05963	3.2
173.09604	1.9
173.13290	0.8
174.06744	2.8
175.03883	2.0
175.07416	1.0
175.11191	3.1
177.05469	4.2
177.12746	0.8
179.03329	0.8
179.08623	1.1
181.10179	1.4
183.11684	1.3
185.09615	1.3
185.13136	1.4
187.03923	0.8
187.07503	1.5
187.11212	5.4
189.05476	2.9
189.12761	1.2
189.16289	1.1
191.03355	1.4
191.07045	2.5
193.04971	1.1
197.09639	1.9
199.11168	1.9
199.14839	1.5
199.75337	0.7
205.04984	1.6
205.12210	1.9
207.06526	0.8
213.12759	0.8
215.10651	5.2
217.04898	1.1
217.08768	0.8
217.15880	1.6
225.08998	1.8
227.18004	0.8
231.13799	0.9
233.11656	3.7
241.12152	1.9
243.10074	0.8
245.19061	1.1
247.13347	1.2
253.34932	0.8
255.17328	0.8
257.11621	1.0
259.13303	2.2
261.11279	4.6
265.14523	1.4
269.11771	2.7
273.18521	9.9
275.12772	2.7
287.12805	7.5
288.13583	1.7
291.19482	3.7
297.11066	1.7
301.14233	0.8
305.13849	3.8
312.95978	0.9
315.12289	9.8
319.15347	1.9
333.13254	2.8
347.14856	4.1
347.19257	1.9
347.22818	1.0
365.15900	100.0
365.19250	5.2
365.23444	5.1
366.16238	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06563	0.7
70.63647	2.4
74.40576	0.7
98.97553	1.3
119.01923	1.2
130.99881	0.8
145.25954	0.8
179.29980	0.7
183.05046	0.7
185.02600	1.6
185.04213	31.1
189.61652	0.7
193.00195	0.8
203.05269	61.3
211.22266	0.8
224.19339	0.7
245.05028	1.4
262.14764	0.8
319.69843	0.8
365.10553	100.0
366.11008	2.0
386.67569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41394	9.3
71.82217	1.1
94.26015	1.0
97.52122	0.9
101.84216	0.9
185.04219	35.7
203.05251	77.0
245.04967	1.1
294.72183	1.1
343.37531	1.2
365.10538	100.0
366.10889	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	365.1593
Annotation	7-Epi-Zeaenol
Peak:m/z	Relative Intensity
53.03940	1.5
55.01865	4.9
55.05513	6.1
57.03421	1.9
65.03942	4.4
66.50536	0.5
67.05499	10.2
68.99787	0.7
69.03422	2.4
69.07066	6.7
71.01366	0.9
71.04984	1.7
71.46443	0.5
71.57568	0.8
73.02856	0.6
77.03912	0.8
78.04687	0.7
79.05491	13.4
81.03406	2.5
81.07056	10.2
83.01307	0.6
83.04970	2.2
83.08611	2.8
84.08099	0.8
85.02899	1.1
85.06536	1.3
86.09672	0.6
89.03916	0.8
91.05475	19.0
93.03415	1.7
93.07030	8.1
95.04961	10.8
95.08597	5.3
97.02898	1.8
97.06514	3.3
97.10178	1.1
99.04426	0.8
101.02371	0.7
103.05465	4.1
105.03378	8.3
105.04507	1.0
105.07022	14.0
107.04963	5.8
107.08595	4.4
109.02881	1.4
109.06500	4.8
109.10159	1.4
111.04438	1.0
115.05457	3.6
116.06193	0.8
116.98624	0.6
117.03381	1.1
117.07009	7.5
119.04931	6.7
119.08569	5.8
121.02843	1.3
121.06522	3.8
121.10123	2.3
123.04430	7.0
123.08090	2.5
125.09669	0.8
128.06238	2.8
129.07002	6.5
130.07747	1.3
131.04945	4.4
131.08546	7.2
132.02074	0.9
133.02834	4.0
133.06493	4.6
133.10139	3.6
135.04410	3.9
135.08020	5.2
135.11705	1.0
136.06184	1.0
137.02298	1.3
137.05984	4.0
137.09601	0.7
141.01834	0.7
141.06973	4.5
141.09076	0.6
142.07762	1.6
143.03424	0.7
143.08540	4.7
144.09216	0.7
145.02820	0.8
145.06477	4.0
145.10106	6.3
146.99548	0.8
147.04424	2.4
147.08049	2.1
147.11662	3.5
148.05148	0.7
149.05995	3.3
149.09613	1.5
151.03894	4.5
151.07544	1.2
153.06995	0.7
154.07790	1.1
155.03387	0.8
155.08575	2.9
157.06465	2.0
157.10120	3.9
159.04417	2.2
159.08076	1.9
159.11673	3.4
161.06004	3.0
161.09657	1.4
163.03914	2.0
163.07469	1.3
163.11224	0.9
164.04697	0.8
165.05476	3.8
165.06815	0.9
167.08647	1.2
169.06479	0.8
169.10101	4.3
171.08044	1.8
171.11697	2.5
172.08948	0.6
173.05994	4.9
173.09650	1.8
173.13173	0.7
174.06734	2.8
175.03896	2.5
175.07536	0.8
175.11221	3.0
177.05508	4.4
177.09122	0.6
179.03537	0.9
179.07042	0.6
181.04938	0.9
181.06409	0.8
181.10127	0.9
183.11749	1.1
185.04257	0.7
185.05908	0.7
185.09610	1.1
187.07541	3.1
187.11179	6.2
189.05458	2.7
189.09091	1.0
191.03406	0.9
191.07039	1.9
193.04996	1.2
195.11617	0.8
197.09636	2.1
199.07549	0.6
199.11201	1.5
201.09189	1.2
203.03412	0.8
203.05267	0.7
205.04999	1.4
205.12340	0.8
206.11340	0.9
213.12712	0.9
215.07182	0.7
215.10690	5.5
217.04916	0.7
217.12180	0.8
217.15842	0.8
223.05986	1.5
223.11139	0.9
225.09058	2.2
227.17766	0.7
229.12167	0.8
231.13954	0.8
233.08145	0.7
233.11739	5.1
241.12158	1.1
242.12932	0.9
243.10146	2.8
247.13380	0.9
251.10495	0.8
257.11737	0.9
259.13367	1.6
261.11285	4.9
265.14355	1.9
269.11758	3.6
273.18427	3.7
274.13309	0.6
275.12820	2.0
277.95746	0.8
287.12781	7.1
288.13394	1.8
291.03946	0.8
291.19531	1.9
297.11298	2.7
301.14456	1.2
303.17853	2.7
305.14120	3.0
315.12265	10.2
319.15469	1.6
333.13275	2.2
340.78802	0.6
347.14792	3.4
365.15942	100.0
366.16232	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	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01859	2.0
55.05507	34.0
57.07061	2.4
60.08152	6.6
65.03931	3.8
67.05500	80.6
68.05843	0.8
69.07063	31.8
70.06644	0.9
71.00727	2.0
71.04978	2.4
73.02896	2.4
79.05489	49.4
81.07052	60.0
83.04981	2.0
83.08612	9.7
85.06528	1.9
86.09690	2.0
91.05474	21.0
93.07037	55.0
95.04974	5.5
95.08599	40.9
97.06521	3.4
97.10149	2.6
99.04468	3.0
99.08099	1.6
105.04513	1.3
105.07022	12.3
107.08589	25.7
109.06496	2.2
109.10149	16.0
111.08083	1.3
111.11649	0.9
113.06032	0.8
117.07001	1.9
119.08588	6.8
121.10134	15.8
123.08103	1.2
123.11681	4.0
131.08565	3.7
133.10114	4.9
135.11685	9.6
145.10075	1.9
147.11690	3.5
149.09583	0.8
149.13254	6.4
157.10043	1.0
159.11679	1.6
161.13202	1.3
163.14809	3.2
173.13271	1.0
175.14854	1.3
176.47598	0.9
180.81917	0.8
221.15196	1.2
305.24716	100.0
306.25085	3.3
354.51605	0.8
364.32074	95.1
365.32404	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	364.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.05493	0.8
57.03432	0.2
67.05497	1.2
69.03427	0.3
69.07053	0.4
71.04994	0.2
77.94950	0.2
79.05485	1.0
81.03410	3.6
81.07043	1.3
83.04965	0.7
83.08619	1.0
85.02884	0.5
91.05473	1.6
93.07026	0.8
94.04037	0.8
95.04947	1.3
95.08607	0.6
97.02885	0.3
97.06518	0.3
98.21519	0.4
105.07035	0.8
107.08598	0.2
109.06504	0.2
110.80456	0.2
111.08114	0.3
114.59379	0.2
119.03551	1.3
119.08577	0.8
121.10157	0.3
129.07016	0.5
131.08566	0.3
133.10118	0.3
136.06171	100.0
137.04614	1.2
137.06682	1.0
144.03340	0.2
146.56511	0.2
147.06703	0.2
147.11664	0.6
148.06302	0.2
149.09639	0.4
152.05655	1.2
153.04073	0.3
154.07210	0.3
157.10103	0.7
174.07744	1.3
175.11162	0.6
183.10278	0.2
189.07611	0.2
190.13388	0.2
193.12230	1.6
204.57590	0.2
211.13292	2.3
265.66135	0.2
273.13635	0.2
302.17441	1.5
310.16568	0.5
320.18472	0.5
328.17728	0.8
346.18634	2.2
347.12723	0.3
364.19751	27.7
365.19916	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	364.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54341	0.2
52.77650	0.2
53.03946	0.2
53.49400	0.2
55.05500	0.8
57.03425	0.3
60.04519	0.4
67.05491	0.9
69.03416	0.3
69.07065	0.5
69.71133	0.8
69.71544	0.7
70.06580	0.3
79.05482	1.1
81.03419	3.1
81.07058	1.5
83.04986	0.7
83.08614	0.8
85.02907	1.3
93.07045	0.6
94.04049	0.4
95.04971	1.4
95.08582	0.5
97.03001	0.3
105.07032	1.0
107.04925	0.3
107.08573	0.5
109.02871	0.3
111.08047	0.3
117.07012	0.3
119.03521	1.1
119.08607	0.7
120.08109	0.3
121.10141	0.6
129.07025	0.5
131.08542	0.6
133.06523	0.3
133.10065	0.3
136.06180	100.0
137.04604	1.8
137.06487	0.9
139.03833	0.3
147.11694	0.3
157.10185	0.4
161.05971	0.3
171.51079	0.2
175.11211	0.5
193.12195	1.4
199.60951	0.2
211.13310	2.1
302.17447	0.8
318.07947	0.3
320.18530	0.5
346.18698	4.9
364.19766	26.9
365.20193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98481	1.7
54.35765	1.9
55.05496	5.6
57.07077	8.6
67.05503	6.0
69.07049	5.4
70.62105	6.5
71.08624	5.1
79.05475	4.9
81.07052	11.5
85.06537	6.2
88.71799	1.7
91.05466	5.0
91.60601	1.9
93.07045	5.6
95.08612	9.9
97.06586	2.1
99.08051	2.0
99.93478	1.7
105.07014	3.9
107.08569	4.1
109.06512	24.1
109.10162	2.8
119.08559	3.8
121.10109	2.8
122.07238	3.4
122.99662	1.6
123.08070	35.6
131.03860	1.6
131.08597	2.3
133.10167	2.8
135.08047	3.5
173.29227	1.5
179.14307	100.0
193.15843	2.6
243.26387	1.8
277.82153	1.7
331.26312	6.8
363.28928	76.2
364.29013	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	363.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50617	0.6
52.18282	0.9
54.49150	0.7
55.01861	1.8
55.05486	2.7
67.05479	1.7
69.03403	2.2
69.07037	0.8
69.93021	4.3
72.04512	40.6
75.86681	0.7
79.05472	0.9
81.03391	5.7
81.07008	0.9
87.05505	0.7
88.03957	1.0
91.05489	4.4
92.05000	9.7
93.05764	2.2
93.07075	0.9
94.06538	1.0
105.07005	1.1
106.06527	3.2
114.00769	0.8
115.05436	0.9
116.03423	1.0
117.05750	3.4
117.07014	0.9
118.06534	40.1
119.07280	2.5
120.08089	2.5
130.06506	3.3
131.07254	4.6
132.08089	4.9
134.09615	0.9
136.06177	4.0
137.05974	3.5
144.07005	1.2
144.08070	11.4
145.08879	4.6
145.09813	0.7
146.09613	2.8
160.05183	1.6
160.11226	1.2
189.10220	4.7
202.15887	9.9
215.08186	2.0
230.15388	100.0
231.15598	1.8
240.29735	0.7
248.13876	1.6
248.16451	29.2
256.17017	2.2
260.12949	1.1
274.17987	23.3
299.17517	1.3
300.15891	4.0
301.19174	6.3
317.18503	3.7
318.16913	1.6
319.20142	40.2
320.20493	0.8
327.17102	6.2
328.15311	2.0
345.13785	1.3
345.18066	35.2
346.16351	14.3
363.19095	92.4
364.19589	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	363.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58574	0.2
55.05490	0.7
57.03428	0.6
59.68319	0.2
67.05488	0.5
71.27652	0.3
78.67681	0.2
79.05465	0.8
81.07038	0.6
82.17853	0.2
84.04496	0.4
87.04443	0.4
91.05463	1.9
92.71096	0.2
93.07009	0.7
95.08604	0.4
97.10203	0.3
98.21420	0.2
104.71659	0.2
105.07004	0.4
107.04933	0.3
107.08565	0.6
109.10117	0.4
110.19187	0.3
115.05434	1.9
117.05766	0.4
117.07015	1.9
118.06532	32.9
119.06866	0.4
119.08558	0.6
125.09637	0.5
130.06546	0.6
131.08600	0.3
132.08067	3.2
133.08876	1.2
134.09607	0.4
135.08023	0.3
142.06496	1.7
143.07294	2.0
144.04433	0.5
144.08073	11.0
145.06462	0.6
145.10173	0.3
146.05998	44.0
146.09645	2.3
147.06334	1.1
150.17558	0.2
159.08002	0.4
160.07579	0.3
160.11165	0.3
170.05992	3.7
176.14331	100.0
177.14697	2.6
188.07051	30.3
189.07408	0.8
215.14392	0.3
216.13802	0.9
234.14919	1.8
248.16370	0.3
249.16783	0.3
265.19705	0.2
289.18127	0.5
363.20663	13.7
363.27240	0.9
364.20929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
56.27164	0.4
57.07074	7.2
58.06588	1.6
69.63326	2.8
69.63739	0.8
70.06590	22.0
71.08638	2.4
72.08142	2.2
79.50356	0.5
84.08138	2.1
85.10177	1.0
86.09708	3.7
88.07624	9.2
89.06039	0.8
98.20790	1.0
102.09184	4.4
114.09176	0.6
120.92543	0.5
132.10193	7.4
146.11755	8.2
212.23729	2.0
238.25314	0.9
256.24176	0.3
256.26331	16.3
300.28955	32.6
301.29355	0.7
344.31512	1.4
362.32617	100.0
363.32843	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	363.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27485	6.7
53.31608	6.4
56.34910	6.7
59.53878	6.9
60.70318	7.1
65.23022	7.1
67.05496	14.3
69.03436	11.6
69.07066	9.9
69.36556	36.1
69.36983	29.1
79.05476	9.1
81.03410	48.8
81.07049	14.6
85.02929	6.3
86.09702	9.6
91.05468	13.2
93.07026	9.8
93.24516	6.8
95.01357	12.6
95.04942	11.3
97.02885	8.5
105.07021	12.5
107.04884	10.8
108.04442	8.9
123.11708	6.6
131.04927	8.7
133.06468	12.3
136.06174	100.0
137.05977	86.2
138.06357	10.0
141.07045	7.6
142.68736	7.1
145.06511	11.1
160.05200	12.7
161.05911	9.7
163.07510	20.4
231.14865	20.4
260.12939	10.4
289.02893	8.3
289.14520	8.2
363.18372	8.6
364.19882	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55359	0.8
55.05495	2.1
56.05028	0.9
57.03453	0.7
58.34326	0.7
60.80498	0.7
67.05490	2.1
67.22781	0.7
69.03414	1.0
69.07058	2.0
70.06593	6.9
70.32733	0.6
71.56847	1.3
79.05488	3.4
81.07055	4.5
83.04976	1.0
83.08629	0.9
84.04482	1.0
87.04465	26.6
91.05463	3.1
93.07052	7.4
95.04963	1.5
95.08597	2.9
98.06016	1.0
103.05458	1.4
105.07008	2.6
107.08572	2.9
108.08125	2.7
109.10159	1.6
110.09673	1.7
117.07007	1.0
119.08595	4.4
120.08105	3.3
122.09683	1.2
131.08592	0.8
133.10138	2.0
134.09648	2.2
135.11690	2.1
136.06143	1.1
145.10156	1.6
146.09630	3.8
147.10448	1.6
147.11665	0.9
148.11205	2.7
157.10042	0.7
159.08098	1.0
161.13251	0.9
162.12776	40.5
176.14293	0.9
178.15877	2.4
189.11270	1.0
193.11040	0.8
194.11781	2.3
196.13319	3.2
206.11784	2.5
220.13370	2.0
222.14946	1.7
234.14891	2.7
248.16455	73.4
250.17966	2.8
264.19565	39.7
276.23245	2.6
289.17963	1.4
292.19070	5.8
295.09045	0.7
316.26324	0.9
362.26898	100.0
363.21924	1.3
363.27158	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	362.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.07061	1.3
67.05521	2.7
67.18163	1.1
68.20969	1.2
70.06592	48.5
71.04987	5.0
74.09701	4.1
79.05486	7.1
81.07057	51.4
91.05476	1.8
93.07030	3.5
95.08603	3.1
98.20805	3.2
105.07001	1.3
108.08093	1.5
110.09720	1.4
115.50211	1.1
119.08607	1.6
120.08067	3.3
122.09650	1.3
148.11203	1.3
150.12784	100.0
152.14355	4.9
156.25769	1.2
165.12772	2.7
183.48343	1.1
184.80168	1.3
186.39201	1.3
196.13306	5.6
234.22581	1.2
248.20097	4.5
269.23322	1.2
332.95456	1.4
362.26923	45.2
362.31476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.5
55.46747	3.3
56.05034	4.6
56.96561	5.5
67.05502	7.1
68.04992	3.2
69.03452	3.2
69.07081	4.9
69.87331	19.5
70.06583	13.7
72.08133	5.9
74.02431	18.6
79.05496	6.3
81.03419	16.3
81.07037	9.5
83.04980	5.9
83.08604	5.9
84.04511	4.9
84.08129	17.0
84.96040	3.1
85.02916	3.5
86.09707	12.0
87.05582	29.4
88.03975	5.9
91.05481	4.0
93.07047	7.6
95.04964	7.2
95.08604	5.0
97.72622	3.8
98.97598	13.7
116.03447	6.5
116.98634	11.0
120.08074	4.2
133.06082	100.0
134.99689	4.7
137.05949	3.8
138.68439	3.4
146.99631	4.5
151.04016	4.2
156.11343	5.1
157.10072	3.7
158.99664	4.4
170.99658	3.4
177.00679	4.2
193.12277	13.0
194.11737	8.8
210.14888	7.8
211.13295	15.0
212.12784	5.0
219.01779	4.3
224.03133	3.4
237.02873	11.6
239.27606	3.6
254.13983	17.3
257.12857	4.8
275.07858	3.6
293.09082	26.7
311.10077	7.0
317.17047	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	58.6
57.07065	12.7
67.05492	57.2
69.03445	10.2
69.07072	96.9
69.68467	8.7
69.93005	54.3
70.06565	11.2
71.04991	10.5
71.08641	9.6
72.08154	10.9
79.05509	35.8
81.03413	15.6
81.07049	100.0
83.04984	15.7
83.08601	62.3
85.06541	11.9
91.05504	48.9
93.07038	46.9
95.08607	70.6
96.51010	10.8
97.06522	29.3
97.10160	61.7
102.54967	9.5
105.07051	34.4
107.08582	28.7
109.10162	34.8
111.08044	11.5
111.11726	29.8
117.07016	14.4
118.06585	11.6
119.08580	41.8
121.10149	29.9
123.08107	12.5
123.11686	21.6
127.03898	20.0
128.55998	12.5
129.07024	11.1
133.10126	35.0
135.11690	34.4
137.13271	12.1
143.99246	10.3
146.54781	9.1
147.11670	17.7
149.13298	14.4
151.14807	15.1
159.98260	10.9
161.13242	15.2
162.12756	24.1
165.06889	11.4
169.06354	12.9
175.11208	11.7
175.14767	13.1
217.19481	48.5
235.20508	64.0
253.21613	41.0
344.22162	29.2
361.16760	14.2
361.21317	36.6
361.25388	22.5
362.23016	42.7
362.27048	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	361.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69593	1.3
63.55439	1.2
64.27138	1.3
69.92181	4.3
69.92618	4.5
74.06072	1.4
80.91070	1.4
83.06076	1.5
86.09683	4.0
91.05470	1.5
91.96646	1.3
98.20729	1.5
135.22256	1.4
141.07065	2.0
155.08508	1.8
165.06979	8.6
168.05820	1.6
169.06429	2.2
177.07166	1.5
178.07707	2.8
179.08528	18.7
181.06499	3.9
181.10097	1.6
183.08044	27.1
189.06926	3.2
191.08524	3.1
193.06476	5.3
194.07237	4.7
195.07976	2.3
197.05977	1.7
206.09575	1.5
207.08031	57.2
208.08757	2.1
209.09613	5.6
210.09142	7.2
211.07550	16.2
217.06477	6.8
219.08110	3.3
221.05925	9.6
222.06853	1.4
223.07486	4.2
234.09109	3.1
235.07520	100.0
236.08031	2.6
236.10707	2.4
237.09090	10.5
238.08650	2.0
239.04553	2.6
239.07008	61.2
252.10179	71.5
263.07001	8.3
267.06345	2.2
280.09613	13.9
281.08069	51.5
282.11136	2.0
284.09225	7.2
297.12302	39.9
298.10712	69.6
299.72659	1.5
309.07446	2.0
315.13348	12.9
317.11880	1.3
326.10135	10.1
327.08524	3.4
343.12866	32.4
344.11221	5.2
361.14056	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	361.11
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
51.96744	2.0
56.96567	3.1
69.07051	2.2
70.02944	2.9
70.06575	9.2
71.03120	3.8
71.03450	3.7
72.08150	26.1
81.18578	2.2
84.04491	3.3
84.08117	5.2
85.02879	4.6
86.09706	16.6
87.05574	3.7
87.10084	2.6
129.10188	3.7
132.10208	3.0
137.05981	4.1
152.14406	2.2
157.09695	2.5
163.03752	2.7
169.33745	2.1
190.40865	2.5
275.10965	9.2
317.12057	49.4
361.10983	100.0
362.11319	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	361.1281
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
50.29171	0.7
53.03965	1.1
53.05392	0.8
55.05500	0.8
58.34880	0.8
59.64411	1.0
65.03937	0.9
67.05521	2.4
69.04431	0.7
71.32556	1.5
72.54167	0.8
73.10469	0.8
79.05499	2.9
81.07058	2.4
91.05482	3.5
93.07060	1.9
95.04973	1.3
95.08615	1.1
105.07012	1.9
107.04951	8.9
107.08614	1.2
108.49545	0.8
109.06538	4.9
111.04479	1.1
119.04893	1.1
121.06572	1.0
123.04420	1.8
123.08101	0.9
125.06002	5.0
126.76614	0.9
135.04388	1.3
135.08022	1.1
136.05206	2.9
137.05980	40.6
145.10175	0.7
149.05946	0.9
151.07549	9.7
152.74699	0.7
153.05493	4.8
153.85414	0.7
154.06215	1.1
162.06845	1.0
165.05478	100.0
166.05856	1.7
167.03416	3.9
168.07808	4.2
169.08606	1.6
177.05533	2.5
179.07027	5.5
179.08296	0.7
181.08591	23.5
193.04958	12.2
193.08583	2.0
194.09354	5.4
197.08083	0.9
254.91724	0.8
273.11270	1.1
292.87982	0.8
302.11703	0.9
333.13303	1.9
343.11624	1.1
361.12817	14.1
361.19730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24277	2.3
55.05504	5.2
62.17724	2.6
67.05494	7.6
69.07059	5.1
70.06615	2.6
71.04984	8.1
71.56911	2.6
79.05483	9.3
81.07050	5.1
85.55437	2.2
91.05479	5.1
93.07027	7.7
95.08617	5.4
97.06513	2.7
105.07007	4.9
106.06534	3.5
107.08591	5.4
109.10126	6.1
111.23415	2.5
118.06565	3.6
119.08569	2.7
120.08128	4.8
121.10152	3.9
131.07358	4.6
131.08551	2.6
133.10136	2.4
137.05986	2.3
139.92789	2.3
144.08028	2.4
145.10008	2.9
146.09673	4.6
160.11197	5.0
161.13283	2.4
172.13773	2.2
173.11723	7.1
175.58823	2.2
177.19000	2.6
180.77475	2.1
189.11235	3.1
216.17465	5.9
244.20610	6.3
272.20081	30.6
290.21207	3.4
357.10150	2.4
360.24460	5.1
360.28946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.2
57.03433	3.2
63.63420	3.2
67.05507	18.1
69.07066	4.0
69.42548	28.4
79.05492	7.0
80.65218	2.9
81.07050	7.2
83.08656	4.5
91.05468	5.1
91.18320	2.8
93.07044	7.3
94.69484	2.9
95.05029	4.3
97.10168	3.5
107.08591	6.8
109.10162	17.1
117.07011	3.8
118.06509	4.4
119.08575	5.1
121.10103	3.4
123.72116	3.6
125.09663	5.8
137.51526	3.4
173.11748	16.9
173.13139	5.2
187.13284	9.6
202.15981	3.7
272.20081	19.6
290.21155	7.3
360.28983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41953	0.5
55.01864	0.8
55.05486	0.6
57.03419	0.8
60.04506	0.8
61.02924	1.5
65.03936	0.5
69.03436	3.2
69.45207	1.8
69.45627	3.4
70.06570	2.4
71.04981	0.9
72.08143	3.5
79.05477	1.7
81.03403	3.2
81.07047	0.6
83.04990	0.7
83.08653	0.8
84.04492	1.7
84.08116	1.1
85.02898	12.7
86.09703	8.7
88.03948	0.8
89.03913	4.7
91.03939	0.7
91.05470	2.3
95.04956	1.6
95.08588	0.6
97.02872	3.7
98.21575	0.9
99.04453	1.1
100.07600	0.8
107.04945	2.4
107.08614	0.6
109.02889	0.7
110.07148	0.6
117.03375	6.6
119.04961	1.2
122.03599	0.6
123.04448	1.5
127.03908	1.8
133.02882	0.6
135.04404	17.2
137.05977	2.8
139.03891	2.4
145.02841	10.7
145.04909	3.0
147.04419	5.7
152.81158	0.5
163.03891	100.0
164.04201	1.6
165.05487	3.1
170.08517	0.6
181.04939	33.8
185.16428	1.5
193.12216	1.2
198.07524	0.9
208.09669	0.9
215.13898	0.9
216.86224	0.6
222.14963	0.9
240.16028	0.7
342.13629	0.6
342.18756	0.9
360.13681	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01849	2.5
57.03422	2.9
61.02915	4.7
62.72563	1.2
67.05502	2.5
69.03418	11.6
69.07071	3.8
70.06586	7.5
70.12374	2.8
70.12788	3.8
71.04996	2.1
72.08150	2.8
73.02918	1.5
74.06079	1.5
79.05485	4.7
81.03412	6.1
81.07063	6.1
83.04954	1.8
84.04508	2.7
84.08157	2.4
85.02896	33.7
86.09701	14.3
87.05572	2.4
91.05479	8.6
93.07018	9.6
94.06468	1.4
94.95049	1.3
95.04968	5.3
95.08591	3.3
97.02875	10.1
99.04459	1.6
99.55415	1.5
103.05462	2.1
105.07032	11.4
107.04877	1.7
107.08583	24.6
109.02872	3.8
109.06496	3.5
109.10152	2.4
109.45636	1.2
111.08125	2.0
115.17640	1.6
119.04956	2.6
119.08586	5.5
121.06554	2.3
121.10123	1.8
122.44233	1.3
123.08097	3.3
123.11707	2.3
127.03911	6.3
131.04865	1.5
131.08598	2.2
133.10121	27.6
135.11681	25.0
136.07523	2.5
137.05986	8.4
137.09639	2.5
145.04955	5.1
147.04333	1.9
151.07608	1.6
151.11205	2.6
155.11806	1.4
161.05963	3.3
161.09605	14.7
167.06985	1.8
175.07449	1.6
179.07117	2.3
179.10652	42.7
179.12177	2.9
179.14206	2.2
197.11716	100.0
198.12106	1.8
200.13940	2.8
213.07761	2.8
228.13480	3.7
246.14511	2.8
341.21371	1.7
348.04044	1.4
377.07639	1.5
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	Grevilloside B
Peak:m/z	Relative Intensity
50.20418	1.3
53.03918	0.9
61.02904	1.9
69.03408	2.4
69.07068	1.5
69.97482	5.7
79.05473	1.4
81.07049	2.6
85.02892	8.6
86.09692	7.5
91.05477	5.0
93.07030	5.8
95.08620	1.8
105.07028	7.1
106.45007	1.2
107.08583	32.3
109.02868	1.9
109.10140	1.5
119.08562	4.7
121.10157	6.0
123.11745	1.3
133.10133	18.1
137.05954	3.3
137.09573	1.6
139.06488	1.3
139.07504	1.4
145.04968	1.4
149.09604	3.4
151.07555	2.1
151.11172	6.9
155.11865	1.3
161.09598	6.3
167.10666	13.3
179.10670	13.7
183.11249	1.3
197.11719	100.0
198.12065	2.7
199.15642	1.1
200.13940	3.7
231.36676	1.1
299.09189	1.1
304.51639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.01861	15.2
55.05500	16.3
57.03447	10.7
57.07071	15.2
61.02903	6.2
65.03925	2.5
67.05501	42.4
68.99775	7.6
69.03089	3.2
69.03427	46.4
69.07061	28.2
71.01340	4.7
71.04980	12.6
71.08624	31.0
71.30428	1.9
71.57343	1.7
71.57694	2.7
73.02900	5.1
79.05490	27.8
81.03411	100.0
81.07049	34.5
83.04964	17.6
83.08608	5.7
85.02894	34.1
85.06521	5.5
85.10169	10.3
87.00829	14.2
87.04484	2.4
91.05471	17.4
93.07040	29.0
95.04955	28.1
95.08603	24.1
97.02883	13.7
97.06516	7.9
97.10181	1.9
99.04450	8.2
99.08076	27.8
103.03923	8.0
103.05421	3.0
105.01860	5.6
105.07014	16.3
107.04942	18.3
107.08598	10.7
109.02897	15.2
109.06511	5.6
109.10140	17.6
111.04442	14.6
111.08077	4.0
111.11679	2.7
113.09637	17.9
115.03907	2.2
117.06998	7.2
119.08574	8.2
121.06496	17.3
121.10143	10.7
122.09641	10.8
123.04427	51.4
123.08047	3.6
123.11723	4.8
125.05966	5.7
125.09631	8.5
127.03912	18.7
127.11205	4.0
129.01859	7.3
129.05443	2.9
129.40564	1.7
131.08563	6.8
133.06451	4.9
133.10121	8.5
135.08046	5.7
135.11639	9.1
137.05945	8.6
137.09624	5.3
137.13242	2.5
139.07596	2.3
139.11200	6.2
141.05507	2.1
141.12727	24.6
145.04868	1.9
145.06465	2.2
145.10112	4.6
147.02885	6.9
147.11681	2.9
149.05968	4.5
149.13217	3.7
151.03906	2.1
151.07530	2.3
151.11200	7.0
153.12709	18.8
155.10739	3.6
157.10159	3.1
157.12239	3.1
159.02869	2.0
159.06747	1.8
159.08112	1.9
165.09187	2.2
165.12740	6.2
167.07027	1.8
169.12263	11.1
171.02773	2.1
173.13269	5.3
175.11223	2.8
177.12723	4.5
179.10712	2.8
183.11693	3.6
189.03900	4.4
189.12704	2.3
191.14278	7.3
195.13792	21.0
201.12746	4.0
207.13770	6.5
219.13811	19.4
237.14822	17.3
255.15849	4.9
331.16656	2.5
339.13049	2.0
341.15762	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	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	26.9
67.07500	9.6
70.28095	10.2
77.30904	10.5
84.90965	10.9
93.41971	9.4
98.97572	72.0
100.20911	11.0
116.98641	69.3
133.60942	10.6
134.99660	100.0
137.89104	12.0
153.00751	20.2
177.00949	29.9
190.95399	28.4
192.98692	16.8
194.13792	10.7
208.96523	25.3
212.35834	14.8
216.98828	23.5
219.01970	64.8
232.96478	50.2
234.99828	82.8
250.97548	69.9
252.97186	34.6
258.99704	30.6
261.02991	39.5
263.02716	24.9
264.44669	12.7
273.02844	11.4
274.97699	65.6
277.00943	80.7
278.01138	17.5
279.00757	20.6
284.99753	18.6
286.04037	11.7
292.95160	21.1
292.98645	35.5
298.97833	26.9
301.01111	25.0
303.01001	27.7
316.94983	39.2
316.98792	84.9
318.98868	17.2
321.14648	13.0
334.96146	72.4
340.99084	17.8
358.99802	55.7
376.97153	26.4
377.07690	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	357.2995
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	47.9
57.03434	20.5
57.07056	63.9
58.83208	18.8
67.05502	76.3
69.07074	100.0
71.08633	44.2
71.19526	42.7
71.19872	25.6
73.79911	17.1
79.05472	35.9
81.07035	96.0
83.08602	58.0
93.07050	64.6
95.08576	92.1
97.06548	27.8
97.10156	48.6
107.08571	61.3
109.10154	45.9
121.10133	82.8
123.11702	18.2
135.11676	55.5
149.13231	46.7
175.89754	17.0
192.76044	17.9
247.24179	86.0
265.25278	68.9
339.28854	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	38.6
55.77222	8.3
57.07058	30.6
67.05496	49.1
68.43100	9.2
69.07072	49.3
69.25444	100.0
70.06584	15.0
71.08623	18.5
76.67976	8.5
79.05498	24.7
81.07031	42.8
81.27082	9.4
83.08618	38.3
88.07623	15.9
93.07040	38.4
95.04984	8.7
95.08598	41.0
97.06513	10.4
97.10155	25.0
107.08599	24.1
107.99177	9.6
109.10150	24.2
111.08024	8.4
112.07922	8.9
121.10114	54.6
123.11737	10.1
135.11707	45.2
149.13228	25.2
215.92020	8.7
247.24268	27.6
248.24098	9.1
265.25327	23.5
294.19363	8.7
339.28989	19.5
357.35568	95.7
358.36630	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02387	0.2
52.03167	0.2
55.01878	0.4
65.03951	0.7
66.04722	0.4
67.05496	0.6
70.06580	0.2
70.92777	0.2
70.93095	0.3
79.05488	0.6
81.03406	0.7
81.07040	0.5
91.05462	1.0
93.03439	0.2
94.04186	2.5
95.04953	0.7
97.06524	0.3
105.85153	0.2
107.04956	0.5
108.02104	0.5
109.02869	0.2
109.06530	0.2
111.04447	0.4
115.05441	1.7
117.07053	0.7
121.40217	0.2
122.03644	7.2
122.06026	0.2
128.06186	0.3
129.07022	0.5
131.04929	0.4
136.01616	0.2
137.05974	100.0
138.06323	2.1
141.05444	1.0
143.04926	6.6
145.06479	0.7
147.08040	0.3
151.03906	21.1
151.05008	1.6
152.04265	0.5
153.05513	0.3
157.06499	0.5
160.05185	0.4
161.05978	0.4
165.05452	0.3
171.04454	0.2
172.03940	0.9
175.07516	1.8
187.07614	0.3
189.09148	0.5
191.07002	0.4
203.07011	2.2
204.06569	1.4
205.08578	2.7
207.07971	0.2
215.07132	0.3
218.07225	0.2
219.08078	0.5
247.07571	0.3
251.10847	0.2
261.09143	0.3
261.12689	0.2
263.07037	0.2
265.08627	0.2
275.06906	0.2
278.09427	0.2
279.10056	0.3
289.08679	0.4
295.09637	0.3
307.09552	0.3
309.11258	0.2
312.09866	0.2
321.11118	0.9
327.12268	10.7
328.12628	0.4
339.12296	0.8
347.77054	0.2
357.13321	14.8
358.13644	1.0
364.44199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2422
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
52.34850	1.3
53.03936	3.2
55.01859	3.7
55.05511	17.3
57.03436	3.0
57.07079	1.7
65.03936	3.8
67.05501	33.1
67.89822	1.2
69.03418	3.0
69.07064	13.7
71.01370	7.2
71.04971	2.4
71.11294	1.1
71.58150	2.4
79.05489	28.2
81.03410	15.5
81.07051	38.5
83.04974	3.9
83.08617	9.3
85.06544	2.4
91.05469	42.2
91.06007	2.3
93.07035	31.6
95.04967	13.0
95.08606	34.3
97.02881	10.1
97.06535	3.6
97.10181	3.3
99.04423	1.6
103.05473	3.9
105.07030	32.9
107.04945	7.7
107.08591	22.7
109.06520	4.5
109.10133	8.8
111.04455	1.3
115.05447	4.0
116.06206	2.1
117.07013	23.0
119.04943	4.6
119.08574	29.8
119.09359	2.3
121.06509	9.7
121.10142	16.3
121.25996	1.2
123.08083	1.5
123.11664	1.8
128.06216	5.1
129.06990	17.7
130.07777	2.4
131.04919	25.9
131.08571	31.6
133.06493	12.2
133.10127	19.4
135.08084	3.9
135.11679	10.0
137.06021	2.3
137.09589	3.1
139.11171	1.5
141.07010	5.7
142.07762	3.0
143.08560	16.4
144.05725	2.1
144.09325	1.6
145.06480	20.8
145.10114	22.9
147.08008	8.1
147.11694	14.4
149.05968	2.5
149.09639	4.2
149.13254	4.3
153.06944	2.3
154.07814	2.1
155.08560	11.0
156.09355	2.6
157.06514	6.1
157.10107	13.6
159.08064	16.5
159.11667	17.0
160.39464	1.2
161.05971	2.4
161.09589	6.6
161.13278	9.6
163.11208	2.3
165.06976	1.6
167.08539	3.3
167.10693	1.3
168.09203	2.0
169.10098	9.3
171.08043	6.9
171.11678	11.4
173.09608	16.2
173.13194	8.7
175.11211	5.7
175.14844	2.6
177.12749	1.7
181.10097	4.5
183.11690	8.9
185.09586	7.0
185.13268	6.0
186.10423	1.7
187.11186	7.5
187.14816	4.5
189.12723	2.9
191.10670	2.7
195.11668	6.6
197.09610	1.5
197.13277	6.1
199.11189	6.2
199.14809	5.7
201.12733	9.9
201.16351	2.1
203.14311	1.7
205.12212	2.7
209.13284	4.1
211.14813	4.3
213.12711	6.6
213.16429	4.1
214.13568	1.4
215.14330	5.8
215.18007	1.8
217.12173	2.0
219.14069	1.6
223.14845	2.4
227.14285	3.7
229.15929	2.6
231.13785	2.7
235.14934	1.9
241.15871	2.5
259.20605	6.1
261.22144	3.3
273.14920	1.3
273.18335	1.6
273.22128	2.2
275.20026	3.1
283.16959	1.5
285.22131	2.4
287.16299	1.7
287.23581	5.7
297.18411	2.5
301.25339	1.9
311.23633	8.0
313.21622	5.2
315.19464	1.8
321.22092	5.4
329.24680	14.4
339.23221	29.3
339.27008	1.3
357.24213	100.0
358.24301	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01865	5.9
55.05495	1.5
59.24702	0.9
65.03936	2.9
67.05491	3.0
69.03409	1.1
69.07069	2.0
69.35802	4.7
69.36231	4.2
70.06609	1.1
71.04989	0.9
79.05489	3.4
81.03388	1.3
81.07050	5.0
85.02923	1.2
91.05485	4.1
93.03433	1.1
93.07039	2.9
94.04160	4.8
95.04943	2.1
95.08604	2.6
97.02892	2.9
97.06524	0.9
98.21477	1.9
103.05460	4.0
105.07041	4.6
106.69425	0.9
107.04952	3.4
107.08540	1.2
109.02870	2.2
109.06519	4.6
109.10161	3.2
111.04435	3.5
111.08043	0.9
115.05491	4.8
115.06160	0.9
116.98617	1.0
117.03384	1.6
119.04976	1.0
119.08567	2.4
121.06503	2.0
121.10108	1.6
122.03632	9.8
123.04423	1.3
125.06010	2.1
127.03908	1.3
129.07005	0.9
130.04146	1.2
131.04933	4.9
131.08563	1.2
133.06517	2.2
133.10167	1.4
134.39188	0.9
135.11650	0.9
137.05963	100.0
138.06323	2.4
143.04886	4.2
144.05690	0.9
145.02881	2.2
145.06462	2.1
145.10072	1.2
146.03595	2.4
147.04393	2.0
149.05991	2.4
151.03900	14.5
151.05087	1.4
153.05467	1.8
153.95702	0.8
155.04880	1.8
155.06100	0.9
160.05260	1.9
161.05981	10.9
162.06770	2.3
163.07518	1.2
165.05475	14.3
165.06953	2.9
165.09106	1.9
167.07045	1.8
171.04382	2.1
172.05226	1.6
175.07536	3.7
177.05482	5.8
177.06833	1.4
178.07664	2.2
179.08638	1.7
181.06488	1.6
183.04442	1.3
183.08086	1.0
187.07491	2.3
189.07021	6.4
190.07765	4.4
191.07022	1.3
191.08563	7.1
193.06583	1.1
194.07286	1.6
201.07170	1.1
202.07832	1.6
203.07095	5.0
205.06511	2.7
205.08597	2.3
206.07190	2.0
207.08028	6.0
208.08798	1.9
209.06020	1.1
215.07011	3.8
217.06551	2.0
218.07246	10.9
219.08047	14.7
220.08586	1.8
221.05943	2.4
222.06720	1.2
223.07489	1.8
224.08324	1.1
229.06473	3.7
230.07294	1.2
231.08157	1.2
233.09708	1.1
234.06816	3.1
235.07545	7.7
236.08232	4.6
237.05469	1.8
237.09137	1.5
240.07915	1.3
245.05917	2.1
246.06778	7.3
247.07541	13.8
248.08330	2.5
249.08987	4.9
251.06870	1.6
251.10663	2.0
252.07819	1.7
253.08598	2.5
257.05975	3.2
259.07571	1.5
261.09091	13.5
261.66315	0.9
262.06201	2.4
263.07077	6.4
264.07767	6.0
265.08594	2.9
267.06720	1.4
267.10248	2.5
274.06302	5.7
275.07022	6.0
276.07437	1.2
277.08527	10.2
278.09354	2.9
279.06784	1.6
279.10150	8.0
281.07962	1.7
289.08551	18.3
290.09268	2.8
291.06461	2.8
291.09912	1.0
292.07288	3.0
293.08148	2.0
294.09021	2.2
295.09561	3.6
297.10986	1.5
306.08951	4.1
307.09613	33.6
308.10175	2.8
309.07675	1.9
309.11169	7.7
321.11203	19.4
324.09726	1.6
325.10764	2.2
327.12204	14.6
328.12442	1.2
339.12186	11.6
357.13129	12.8
376.04575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05271	4.9
65.89701	4.7
67.05502	6.5
70.06560	5.5
70.54223	17.7
74.02435	4.4
79.05466	7.6
81.07046	5.3
84.04483	5.7
86.09690	20.1
93.07014	5.3
95.04955	4.5
105.07015	100.0
105.07685	7.9
119.08596	5.7
122.09664	52.7
130.08621	6.3
132.10207	5.0
133.86595	4.6
137.05954	16.6
143.72647	5.2
149.09630	9.3
158.26303	4.6
167.10669	12.6
191.10684	8.3
194.11763	77.8
199.09514	6.1
356.07068	5.3
356.18716	5.9
356.35162	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	357.1329
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.33838	0.4
52.64977	0.3
55.01855	0.7
55.53326	0.3
58.20919	0.3
65.03942	0.9
67.05495	0.9
69.03433	0.4
70.06599	0.5
72.20673	0.4
76.45686	0.4
79.05479	1.2
81.03378	0.4
81.07032	0.5
91.05471	1.1
94.04176	2.6
95.04934	0.7
98.20719	0.8
107.04943	1.1
108.02084	0.9
108.53571	0.3
109.06492	0.7
111.04429	0.6
115.05457	1.6
117.07019	1.2
122.02814	0.3
122.03642	6.8
129.07010	0.9
137.05969	100.0
138.06339	1.8
141.05452	1.1
143.04919	6.9
145.06453	1.2
151.03899	27.0
151.05006	2.0
153.05457	1.0
157.06517	0.9
160.80061	0.4
161.06004	0.6
163.53157	0.3
165.05440	0.6
171.00446	0.3
172.05174	0.5
174.06767	0.5
175.07559	2.9
183.97498	0.3
187.07579	1.3
188.04651	0.4
189.09109	0.9
203.07039	2.9
205.08574	3.1
219.08090	0.6
229.64336	0.5
233.08052	0.4
235.07454	0.4
247.07507	0.8
261.09052	0.5
263.06949	0.5
264.07635	0.7
264.51477	0.3
277.08508	0.4
279.07037	0.4
279.10104	0.8
296.10556	0.4
304.05688	0.4
306.08725	0.5
307.09616	1.2
309.11270	0.4
321.11099	1.5
324.09659	0.3
327.12247	9.9
339.12305	1.3
357.13293	14.6
358.13620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01867	6.9
57.03428	6.6
61.02932	6.3
63.10079	1.7
68.99773	3.0
69.03424	34.3
69.07069	3.0
69.55250	5.6
69.55656	8.9
70.06586	5.2
71.04986	5.4
73.02921	6.1
73.04785	2.3
73.06557	16.6
81.03413	23.3
84.04494	3.3
85.02905	100.0
86.09702	3.4
87.00825	50.9
91.05825	18.0
92.05698	3.7
97.02886	24.7
97.57037	2.1
98.21484	4.0
98.97618	3.3
99.04449	10.9
105.01862	76.9
109.02872	24.1
119.04984	2.3
121.06615	1.9
123.04441	2.2
127.03918	63.1
137.05986	3.6
145.04950	19.4
147.04414	5.2
159.02896	8.3
176.46667	2.0
189.03946	2.8
197.09576	2.1
213.03909	3.5
231.04945	19.4
249.06044	3.9
269.97766	3.1
286.01086	5.2
356.07303	2.0
356.12851	2.4
356.17111	2.6
357.07019	2.5
357.15088	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	356.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48759	6.2
53.03946	8.0
55.01864	38.9
55.05501	20.6
57.03436	100.0
61.90640	5.4
65.03924	16.4
67.05507	41.4
68.99802	7.5
69.03410	18.7
69.07055	27.1
69.61473	44.3
71.04994	13.5
71.08635	30.6
73.02911	35.5
79.05500	45.8
81.03425	8.0
81.07047	25.7
83.01347	54.6
83.04972	23.7
85.02904	41.3
85.06554	8.1
86.09653	5.2
88.11276	11.3
91.05450	10.3
93.07032	15.6
95.01316	61.4
95.04951	82.5
95.08630	6.7
95.34466	5.7
97.02890	13.5
97.06525	43.1
98.21539	7.1
99.04448	11.5
100.03995	9.1
101.02374	10.5
103.03880	6.1
105.03365	12.0
105.04501	6.5
105.07024	12.2
107.04951	17.6
109.02859	9.0
109.06532	12.4
111.00745	16.6
111.04441	33.5
113.02360	9.2
113.06003	14.2
123.04399	70.6
125.05967	40.5
126.05506	7.3
126.09129	6.0
127.03931	14.3
128.03468	10.3
137.05954	33.2
139.03894	25.8
140.03407	42.5
141.01823	17.6
141.04156	5.8
141.05452	17.2
142.04958	6.4
144.02942	15.5
151.03926	21.1
152.07094	7.1
153.05487	17.6
154.04985	16.3
156.02907	45.5
165.05511	6.6
166.04990	10.1
179.03319	10.3
182.08122	38.1
183.06467	8.8
196.06078	9.6
210.11165	14.7
214.07144	21.1
226.10741	24.2
252.13460	7.5
252.15945	90.5
284.14874	78.6
287.10269	28.0
324.17993	33.7
338.19412	7.3
356.12888	8.3
356.16986	58.5
356.20715	10.7
357.13333	6.1
357.17828	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.16764	2.8
54.41787	2.7
55.05507	38.0
57.03432	11.2
57.07073	12.8
62.33887	2.5
65.03944	3.4
67.05504	85.9
69.07063	54.6
71.08627	7.1
79.05489	23.3
81.07054	100.0
83.04968	2.6
83.08624	32.1
84.54292	2.4
85.06549	4.4
85.10178	4.8
85.71447	2.6
88.07658	3.3
91.05399	14.5
93.07048	29.8
95.04998	5.4
95.08603	89.5
96.08918	3.4
97.06547	10.7
97.10162	24.1
98.21526	6.4
99.08107	6.7
103.69965	2.5
105.07011	13.0
107.08582	21.7
109.10147	43.5
111.08064	5.4
111.11700	6.7
112.53540	2.7
113.09655	3.9
113.23780	3.1
119.08559	17.7
121.10133	31.9
123.11693	21.9
125.09654	2.8
126.75368	3.3
133.10147	16.2
135.11667	18.1
137.13228	6.5
147.11662	13.0
149.13234	15.8
151.14813	4.4
161.13228	14.7
163.14815	13.0
165.16362	3.9
175.14804	13.0
189.16411	6.1
196.15176	2.6
209.40366	2.5
245.22633	46.8
263.23685	42.1
285.00876	4.1
337.27435	25.7
355.28302	9.3
356.35291	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	39.7
57.03426	8.6
57.07066	14.3
57.43079	3.8
67.05180	5.5
67.05508	89.2
69.07072	56.1
70.28011	11.9
70.28430	6.1
71.07036	4.1
71.08616	4.6
79.05490	32.4
81.07056	100.0
83.04933	4.5
83.08617	32.7
91.05392	19.7
93.07040	36.9
95.08607	92.0
97.06522	15.1
97.10155	17.7
99.08053	6.7
103.03965	4.5
105.07054	21.4
107.08603	24.9
109.10157	49.2
111.08095	8.2
111.11726	12.3
119.08601	21.0
121.10148	41.5
123.08195	3.7
123.11696	27.0
129.05481	5.3
133.10100	21.7
135.11694	20.3
137.13184	10.9
141.12663	3.9
147.11682	12.6
149.13278	15.0
151.14807	8.9
161.13255	20.0
163.14828	15.6
165.16447	10.4
174.81145	3.9
175.14835	13.1
179.14380	5.3
189.16388	7.5
245.22656	55.5
263.23706	49.9
283.24533	3.5
337.27283	24.7
355.28326	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	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
54.03210	3.0
55.05512	35.4
57.03425	7.3
57.07060	12.3
57.07314	2.8
67.05501	73.4
67.06916	3.1
69.07065	44.1
69.19875	3.6
69.38850	31.1
69.95256	3.0
70.06570	2.9
71.08635	9.2
73.04735	3.0
79.05489	27.8
81.07050	100.0
83.08611	31.3
85.10232	4.2
88.07610	5.1
91.05393	6.4
91.05817	11.6
91.41397	2.8
93.07032	34.4
93.10878	2.6
95.04990	3.7
95.08601	73.0
97.06529	12.6
97.10149	17.3
99.08113	4.2
105.07023	15.4
107.08595	21.8
109.10165	42.5
111.11720	7.3
114.07323	3.4
117.06998	3.5
118.29554	2.9
119.08566	17.5
121.10125	31.8
123.11688	17.0
125.09677	3.9
126.99356	3.6
133.10135	17.3
135.11679	16.6
137.13293	9.9
141.12732	3.9
147.11693	12.0
149.13275	10.7
151.14810	6.9
159.11636	3.5
161.13277	12.4
163.14836	12.4
175.14809	13.4
179.17938	6.0
189.16353	4.1
245.22638	44.2
246.23248	3.7
263.23648	37.2
268.97720	3.9
285.00842	5.2
299.10245	3.2
303.65448	3.6
337.27374	19.0
355.07135	4.0
355.28494	5.5
356.35178	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03930	2.4
55.01865	4.5
55.05507	46.4
57.03430	15.1
57.07068	12.7
66.98145	2.1
67.05499	73.4
68.05849	1.7
69.03465	1.8
69.07063	53.8
70.28456	5.5
70.28882	3.9
71.04982	3.3
71.08639	8.3
73.02910	2.3
76.81227	1.8
79.05479	26.3
81.07051	100.0
83.04948	2.6
83.08611	37.4
85.06535	4.0
85.10181	4.0
85.48705	1.7
89.48654	1.5
91.05436	17.8
93.07030	29.2
95.04968	3.1
95.08599	80.4
97.06519	10.7
97.10162	22.1
99.08073	4.9
103.04005	1.8
105.07018	13.8
107.08582	25.4
109.10142	44.6
111.08086	7.3
111.11716	5.8
113.09638	2.4
119.08576	13.9
121.10140	31.1
123.11687	22.3
125.09667	2.4
129.05484	5.0
133.10130	19.5
135.11661	16.8
137.13249	5.6
141.12714	2.5
143.08632	1.7
147.11642	13.8
149.13266	13.2
151.11198	2.2
151.14819	6.2
161.13228	14.4
163.14812	15.4
165.16400	7.7
168.09108	1.8
175.14873	11.7
177.16345	3.7
177.83392	1.8
179.17979	5.7
189.16412	5.4
198.43349	2.0
245.22649	35.1
247.48245	1.8
257.98981	2.0
263.23676	43.3
264.24167	1.7
337.27399	26.5
355.28320	21.8
359.54147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
50.11002	1.7
53.03942	2.2
53.61269	1.9
55.05506	47.5
56.96566	14.8
57.03198	1.8
57.03437	15.2
57.07069	14.1
65.03914	2.3
66.69385	1.5
67.05500	82.9
68.05798	2.6
69.07064	58.7
69.93876	4.4
69.94285	7.0
71.04978	2.9
71.08607	7.0
79.05487	31.2
81.07050	100.0
83.04988	3.2
83.08610	38.7
85.06535	5.7
85.10176	2.9
87.67144	1.7
88.07645	2.4
91.05389	20.7
91.05853	2.1
92.98631	1.8
93.07034	33.9
94.26129	1.9
95.04942	4.5
95.08601	90.9
97.06538	10.9
97.10168	26.5
99.08080	3.5
103.03931	3.2
105.07016	18.9
107.08584	26.2
109.09456	3.5
109.10147	41.3
111.08067	4.1
111.11700	8.3
117.07015	2.3
119.08597	18.1
121.10130	33.6
123.11710	19.6
125.09596	5.5
128.98573	6.2
129.05505	2.6
133.10091	21.8
135.11671	18.4
137.13243	8.6
139.11182	3.5
145.10083	2.7
146.99623	7.8
147.11674	14.4
149.13246	14.1
151.11143	2.8
151.14822	7.7
153.12737	2.2
161.13240	18.4
163.14854	13.8
165.00694	2.1
165.12805	3.9
165.16371	6.7
166.40817	2.0
167.14308	2.4
175.14766	9.5
177.16429	2.5
179.14330	2.0
179.17946	3.9
180.10960	2.3
185.13232	2.0
189.16354	5.1
203.17874	2.5
236.89220	2.1
245.22639	42.8
245.24809	1.7
263.23672	46.1
264.24213	2.4
267.20404	1.9
285.00891	3.6
315.16223	9.5
333.17334	31.3
337.27408	23.3
351.18427	16.0
355.06970	3.5
355.16034	2.6
355.28284	12.1
355.33939	22.0
356.18924	5.4
374.19971	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	354.3362
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.56623	1.0
54.05178	1.2
55.05305	1.2
55.05506	13.3
56.05025	1.9
57.05811	2.0
57.07072	16.8
58.02955	1.7
58.06596	17.5
60.04533	6.7
62.34764	1.0
67.05499	9.9
69.07066	22.5
69.42955	9.1
70.02930	3.2
70.06589	9.5
71.04987	1.2
71.08624	8.6
72.04496	2.7
72.08136	1.7
73.04713	1.8
74.06060	2.6
79.05473	2.8
81.07058	15.6
82.06567	1.8
83.04967	1.6
83.08616	12.6
84.08139	5.5
85.10157	3.0
86.06049	5.6
86.72272	1.0
87.06827	1.8
91.05787	5.1
93.07031	2.3
94.06543	1.2
94.27322	1.1
95.04954	1.4
95.08601	17.6
97.10161	8.3
98.09732	1.4
105.06977	1.3
109.10152	10.1
111.11724	4.1
112.07622	1.8
123.11691	4.5
126.06700	1.5
140.41388	1.2
151.14836	1.2
268.29990	1.8
279.31329	1.2
294.31567	3.6
306.31702	2.8
307.29852	2.1
308.33215	2.7
324.32581	1.6
326.34100	3.2
336.32568	16.2
337.31396	1.3
354.33627	100.0
355.33823	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	355.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52871	0.7
51.17791	0.7
53.03932	2.9
54.13230	0.8
55.01873	4.5
57.03441	3.3
61.02941	1.0
69.03426	21.8
70.45816	2.9
71.01340	1.6
71.04983	9.6
73.02927	1.9
73.04752	2.0
81.03412	30.7
81.64832	0.6
83.22508	0.7
83.72925	0.6
91.05801	10.6
97.50578	0.6
99.04445	10.9
104.04969	1.5
114.54489	0.7
117.05492	3.2
130.02875	1.9
131.06036	1.7
133.07603	2.6
134.04750	1.7
134.74513	0.7
147.05542	5.2
148.03949	3.8
148.06297	1.0
149.07104	1.9
157.03954	5.9
159.05461	1.1
164.07074	0.8
173.07126	0.7
175.05083	4.7
177.06567	9.5
200.59821	0.8
203.04507	23.5
205.06119	4.8
213.86726	0.9
221.05562	100.0
222.05832	1.3
243.07607	0.8
261.08517	1.4
263.06595	1.2
268.97824	2.6
285.00970	3.4
301.08408	0.7
319.09274	12.4
336.23297	0.9
337.10269	27.9
338.10410	1.0
355.07111	2.0
355.11304	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	354.1909
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
52.16206	1.0
53.03945	1.7
55.01878	2.2
55.05495	1.7
64.71127	1.2
65.03922	1.3
67.05502	2.1
69.07067	12.7
69.92252	3.9
69.92678	2.7
71.74533	1.2
79.05492	4.2
81.03408	4.6
81.07050	2.0
83.04973	3.2
84.08141	1.2
86.09704	100.0
91.05444	14.5
93.07050	9.8
95.04964	3.9
105.07044	5.4
107.04965	5.9
107.08593	5.5
109.02879	4.3
109.06549	2.1
109.42084	1.0
115.05471	2.9
117.07017	33.3
118.69089	1.0
119.08595	7.4
121.06513	2.2
121.10142	1.1
123.04415	11.0
128.06218	1.5
128.10704	9.9
129.06967	2.0
131.04939	1.3
131.08554	13.4
132.10205	7.5
133.06479	2.9
133.10147	4.7
135.08043	30.3
135.11650	2.4
137.05934	1.3
143.08514	2.0
145.06471	6.6
149.09610	3.9
151.03870	1.8
156.10182	1.6
159.08051	19.0
161.05956	1.4
161.09584	2.7
163.07550	20.5
163.08820	1.9
167.07101	1.6
169.06555	2.2
175.07613	1.6
177.09090	15.7
178.05804	1.4
178.09523	1.2
181.08589	14.1
186.06517	1.1
187.07532	13.2
195.10205	1.6
201.05487	2.8
205.08585	75.0
222.11205	1.5
234.10164	1.2
235.07503	2.2
244.17020	2.5
246.18581	1.9
249.08884	1.3
262.09497	1.5
262.18097	2.2
263.07166	1.3
264.07428	1.4
272.16467	2.8
277.08456	1.3
279.09717	1.1
290.17484	56.7
293.07947	1.3
294.08881	1.2
295.09576	2.0
307.09747	1.1
308.18570	29.3
308.22116	1.8
322.11603	1.5
336.18048	4.5
337.10782	2.2
354.14191	4.2
354.18591	1.3
355.11716	3.0
367.10849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62803	1.8
53.03946	4.9
53.29453	2.1
55.01877	6.0
55.77028	1.8
57.03423	6.0
61.02916	5.9
67.05495	4.2
69.03426	35.6
69.07066	2.4
69.46362	9.6
69.46793	8.0
70.06580	1.9
71.04993	5.2
71.08622	2.1
72.08160	3.1
73.02916	6.4
73.79845	1.9
79.05478	3.3
81.03415	18.3
81.07063	3.7
83.01359	2.2
84.04479	2.5
84.08118	2.0
85.02901	100.0
86.09689	5.7
87.00824	36.9
87.04430	3.3
91.05807	6.7
93.07069	2.1
97.02889	30.4
97.06567	3.9
99.04433	13.1
105.01862	80.0
105.07027	3.5
107.04884	2.8
108.04501	2.5
109.02878	23.3
119.08588	2.3
124.07631	2.0
126.05562	1.9
126.06649	4.0
127.03916	74.1
129.01830	3.1
137.05960	6.5
145.04955	31.5
147.02908	2.4
159.02850	14.6
161.05911	3.1
161.09549	2.5
167.15359	2.3
175.07442	2.4
189.03987	3.4
193.58035	2.0
201.05466	7.9
205.06725	2.5
213.03964	1.9
231.04932	19.8
234.06790	3.5
236.12486	2.3
249.06271	4.1
251.06898	2.3
255.17114	4.2
263.07214	2.4
268.97852	2.8
277.08511	2.9
290.05859	2.4
293.46274	2.0
305.08051	4.6
323.08887	2.9
326.24252	5.9
337.10855	2.7
354.10672	4.5
354.14868	3.8
355.11697	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	5.5
56.96577	5.3
57.03422	6.8
67.05499	6.0
69.03422	7.0
69.07048	16.5
70.06570	5.1
70.95895	11.2
71.04971	12.9
72.00964	3.7
73.02936	6.8
73.04771	6.9
75.33891	4.9
79.05447	4.2
84.08145	10.5
85.02873	9.6
85.06524	5.5
91.05815	54.7
95.04945	6.0
97.02854	5.4
97.06540	5.1
101.02365	16.6
104.79587	3.6
108.08118	6.4
113.05229	8.8
113.05995	100.0
115.07542	39.2
124.07539	7.9
131.07021	29.6
136.84888	4.0
145.02858	5.4
146.58664	4.3
157.08531	9.7
162.69997	3.8
166.12132	4.5
175.09648	28.5
177.05453	5.2
184.95030	5.0
192.10164	4.4
196.16972	31.8
245.10342	5.6
268.97849	14.1
285.00949	14.8
303.01849	5.2
354.11734	4.4
355.06915	17.7
355.16153	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
54.29327	1.9
55.01860	8.3
57.03423	5.5
61.02924	3.6
67.25507	2.0
69.03427	34.6
69.45573	9.1
69.46013	10.9
70.01462	2.0
70.06577	2.2
71.04985	3.2
72.08146	2.8
73.02917	5.5
79.05536	2.5
81.03410	22.9
81.07050	3.9
83.04926	1.9
85.02904	100.0
86.09715	4.2
86.30013	2.0
87.00825	38.0
91.03915	3.0
91.05855	5.0
93.07054	2.0
94.12917	2.0
97.02896	31.1
98.20748	3.1
99.04466	8.5
105.01186	4.7
105.01864	66.3
105.02569	3.2
105.07061	3.5
106.06455	2.0
109.02885	21.8
116.52103	2.0
117.01769	2.6
119.08617	2.6
121.82635	2.1
126.06677	2.3
127.03912	61.8
129.01842	4.5
131.04968	3.0
133.06519	2.6
137.06003	6.6
138.68774	2.1
145.04971	24.7
147.04417	2.6
149.90817	2.2
159.02896	11.3
161.05963	2.4
175.07501	2.5
189.03909	2.8
201.05508	6.6
231.04938	17.7
234.06834	3.2
235.07629	3.7
251.06693	3.1
263.07001	2.4
277.08484	4.2
285.01068	3.5
305.07797	3.4
323.08865	2.9
326.24515	2.9
337.10712	4.3
354.10306	3.1
354.14365	2.7
355.07562	3.3
355.11685	4.0
355.17032	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	353.2685
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
50.31833	5.7
55.05506	32.4
57.07066	19.3
57.10217	5.9
67.05506	85.7
69.07048	28.0
69.55823	34.9
69.56234	13.5
71.08617	23.0
79.05500	38.1
81.07053	100.0
83.08614	27.7
85.46373	5.9
91.05473	20.9
91.60323	6.3
93.07046	41.4
95.04970	19.5
95.08600	74.5
97.06532	12.4
99.08077	13.2
105.07021	27.8
107.08594	42.3
109.06508	15.1
109.10149	28.4
110.16225	5.9
119.08581	18.9
121.06455	10.4
121.10144	34.4
123.11710	16.8
131.08548	16.2
133.10089	17.3
135.08043	11.4
135.11696	21.7
137.09680	7.1
137.13260	10.5
145.10121	7.9
147.11725	10.3
149.13219	18.1
159.11723	12.7
161.13226	10.9
165.12766	41.3
173.13293	13.5
181.01506	6.5
187.14862	12.7
209.18863	9.3
243.21213	7.8
261.22116	41.9
289.25195	24.3
317.24823	46.8
335.25754	58.6
353.26480	8.7
361.04163	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01871	18.7
55.05265	3.8
55.05510	44.5
57.03439	17.9
57.07075	11.2
65.03931	2.6
67.05503	85.1
69.03430	2.9
69.07066	73.7
70.04286	12.9
71.04987	8.6
71.08640	15.7
72.86233	2.2
79.05061	4.5
79.05494	51.1
81.07052	100.0
83.04977	12.0
83.08615	29.8
85.06548	5.1
85.10175	2.6
91.05476	23.5
93.07040	54.1
95.04988	5.7
95.08603	70.3
95.80451	2.2
97.06515	9.8
97.10173	18.2
99.08101	18.4
105.07028	19.3
107.08589	37.0
109.06512	4.7
109.10154	41.4
111.08044	6.3
111.11743	3.3
117.07012	10.0
119.08599	11.5
121.10139	30.2
123.08086	3.1
123.11708	12.0
125.09625	14.2
131.08585	11.7
133.10159	8.0
135.08035	3.2
135.11678	24.2
136.91476	2.2
137.13242	9.0
145.10141	7.6
147.11691	14.3
149.13264	10.6
151.14816	5.6
153.12740	22.3
159.11699	6.9
161.13263	6.7
163.11226	4.9
163.14830	13.8
165.12808	3.3
171.10274	2.7
173.11842	4.6
173.13292	10.3
175.14816	2.5
177.12810	2.8
183.96530	2.4
187.14911	3.8
189.11240	8.1
193.01540	2.5
233.22592	4.8
243.21045	12.5
246.29100	2.8
251.23810	3.2
261.22141	41.4
279.23181	23.8
353.26892	38.5
372.21759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03914	2.3
55.01872	7.2
55.05505	42.7
57.03440	13.4
57.07067	7.1
65.03940	2.9
67.05502	100.0
69.07066	38.7
71.03671	2.7
71.04990	3.3
71.08627	35.0
79.05487	47.1
79.10596	2.0
80.58210	2.3
81.07052	91.4
83.04965	4.2
83.08607	15.8
85.06544	6.6
91.05476	21.2
93.07040	46.1
95.04940	3.7
95.08601	66.9
97.06526	8.7
97.10163	15.3
99.08091	31.6
105.07023	18.7
107.08594	40.2
109.10158	36.4
111.08084	2.9
113.09663	2.4
114.17097	2.6
117.07017	5.9
119.08595	12.9
121.10131	21.0
122.13338	2.0
123.11700	14.8
125.09641	9.7
131.08539	11.8
133.10121	9.7
135.08099	2.5
135.11682	24.1
137.13239	7.3
145.10150	7.7
147.11673	19.2
149.13246	12.8
151.14873	3.6
153.09128	2.3
153.12793	4.6
159.11700	8.9
159.33279	1.8
161.13284	6.8
163.11195	3.6
163.14810	12.6
165.12738	4.0
173.13303	5.8
177.16371	3.5
181.15808	2.7
187.14772	5.6
189.11186	3.4
233.22639	3.0
243.21057	8.8
261.22171	35.5
279.23175	19.9
353.26898	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05507	17.8
57.03419	3.7
57.07063	5.8
67.05504	100.0
69.07050	14.3
69.35077	23.3
71.04982	4.8
79.05490	50.9
81.07055	98.2
83.08585	8.5
91.05479	19.7
93.07043	66.7
95.04972	4.6
95.08607	74.5
97.06542	4.6
97.10167	3.5
98.21519	4.9
99.08060	3.3
105.07031	18.5
107.08591	38.3
109.10146	36.2
117.07011	9.2
119.08585	17.0
121.10152	34.2
123.08144	2.4
123.11713	21.7
129.10339	2.7
131.08562	27.2
133.10098	17.5
135.11670	31.5
137.13274	9.2
145.10126	19.0
147.11641	11.9
149.13226	22.6
153.12656	3.4
159.10603	2.5
159.11702	15.5
161.13306	10.3
163.14809	16.2
173.13234	19.3
187.14821	11.6
194.83546	2.4
201.16385	4.0
233.22556	4.2
243.21095	19.1
261.22110	97.9
262.22537	3.7
263.71027	2.6
278.72897	2.4
335.25885	4.5
353.26779	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	4.4
55.05511	22.9
56.05025	2.1
56.96561	2.1
57.03425	7.9
57.07059	3.3
67.05500	90.5
69.07063	14.9
69.78171	11.6
71.03960	2.0
71.08636	2.6
79.05486	46.0
81.03405	2.2
81.07053	100.0
82.07382	3.3
83.08617	6.3
85.06536	3.1
91.05476	21.9
93.07044	52.3
93.07630	3.3
95.04953	6.5
95.08602	69.0
96.08967	2.2
97.06528	4.9
97.10176	3.3
98.21514	2.5
99.10020	2.5
105.07032	16.3
106.07329	2.5
107.08584	34.0
109.06529	3.9
109.10155	42.4
111.08080	2.4
117.07007	8.0
119.08549	13.9
121.10130	29.7
123.08066	2.2
123.11687	20.8
131.08569	18.7
133.10109	10.5
134.15585	2.1
135.11681	21.3
137.13252	7.4
145.10123	15.8
147.11656	10.0
149.13257	15.4
151.14815	3.4
154.07922	2.2
159.11693	12.5
161.13272	7.6
163.11345	2.4
163.14816	11.1
173.13214	15.4
175.14841	2.5
177.05470	2.5
177.12663	2.3
177.16386	3.4
187.14816	6.9
201.16382	3.2
229.07462	3.4
233.22610	3.6
243.21088	13.7
247.08560	2.3
261.22122	70.0
276.20322	2.9
279.23129	5.4
335.25687	7.7
353.27216	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.3
55.05519	12.6
57.03440	4.5
57.07062	3.2
63.38972	2.3
65.03917	3.0
67.05502	95.3
69.07069	17.2
70.10992	9.8
70.11409	4.8
71.04978	3.6
75.04475	2.6
77.33199	2.5
79.05492	47.4
81.07052	100.0
83.04963	2.7
83.08639	5.1
85.06567	2.2
91.05475	18.7
93.07037	59.3
95.04990	3.0
95.08606	69.9
97.06485	3.8
97.10139	4.8
98.21398	3.3
102.45695	2.4
105.07021	17.4
107.08575	40.1
109.10149	38.1
117.07005	6.8
119.08571	14.9
121.10139	29.0
121.96288	3.1
123.11694	22.3
127.22892	2.4
131.08575	16.4
133.10129	12.1
135.11688	29.5
137.13329	5.4
145.10130	14.7
145.20662	2.6
147.11656	12.3
149.13269	24.2
159.11642	14.9
161.13263	10.4
163.14801	15.4
173.13289	16.8
175.14851	2.7
177.16461	3.3
187.14822	10.7
233.22520	3.3
243.21063	25.6
261.22128	83.6
262.22510	4.2
279.23175	8.0
326.84839	2.6
328.07578	2.9
335.25797	10.3
353.26913	17.3
357.01859	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.9
57.03435	4.2
57.07058	5.8
65.03927	3.2
67.05502	97.3
69.07076	15.3
70.09837	11.8
71.04992	3.6
79.05492	47.6
81.07050	100.0
83.08618	6.6
85.06553	2.5
91.05474	27.2
93.07041	68.2
95.04975	5.0
95.08603	70.9
97.06536	2.9
99.08118	2.2
102.53675	2.2
105.07023	21.2
107.08592	43.2
109.10149	36.7
109.88564	2.2
113.09621	2.6
117.07011	9.6
118.97816	2.3
119.08573	18.0
121.10136	30.5
123.11716	19.4
131.08577	23.7
133.10118	15.5
135.11684	26.8
137.09724	2.3
137.13257	6.3
145.10129	18.0
147.11676	11.8
149.13231	19.4
159.11696	16.5
161.13261	9.0
163.14809	14.8
165.12624	2.6
173.13252	15.0
177.16487	3.3
186.63704	2.2
187.14856	10.6
201.16318	3.6
233.22638	4.0
243.21085	18.7
261.22131	97.2
335.26111	4.2
353.26999	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.83778	2.5
52.68231	2.4
53.03939	4.4
55.01853	2.4
55.02314	2.3
55.05500	9.4
57.03428	3.3
57.07061	7.5
65.03931	4.7
67.05501	84.7
69.07059	12.9
69.89573	5.0
69.89986	8.3
71.04973	2.6
71.08613	6.4
79.05488	55.9
81.07053	100.0
83.08610	5.5
85.06523	5.5
91.05479	27.6
93.07038	71.4
95.04968	4.3
95.08603	73.0
97.06538	4.5
97.10165	2.9
99.08107	3.0
105.07024	20.9
107.08591	42.3
109.10159	27.4
113.09641	4.0
117.07023	12.1
118.24487	2.5
119.08581	17.0
121.10141	32.3
123.11706	12.6
131.08560	26.9
133.10123	11.6
135.11693	29.1
135.26329	2.2
137.13226	8.6
145.10129	18.4
146.02069	2.7
147.11681	9.0
149.13263	26.6
159.11676	10.8
161.13306	14.5
163.11198	3.4
163.14816	19.8
173.13231	19.2
177.16362	7.0
179.14261	2.7
187.14780	9.1
201.16336	3.0
223.76096	2.4
233.22604	8.1
233.80461	2.3
243.21068	32.5
261.22113	82.9
279.23163	3.0
335.25836	5.6
353.26822	2.7
378.95297	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.2
55.01855	0.8
55.05507	14.0
57.03441	6.7
57.07066	3.8
65.03935	3.2
67.05504	94.2
69.07061	12.9
71.04989	2.6
71.08617	1.9
79.05489	41.4
81.07053	100.0
83.04979	1.3
83.08615	6.6
85.06531	2.4
91.05478	21.9
93.07040	56.2
94.69299	0.7
95.04957	3.8
95.08604	76.5
97.06519	2.9
97.09634	0.8
97.10120	4.0
99.08085	1.6
105.07021	15.0
107.08589	34.6
109.06507	1.9
109.10156	38.8
111.08060	1.3
113.09622	1.2
117.07024	8.5
119.08583	14.6
121.10140	26.8
123.08055	1.9
123.11705	22.4
125.09655	1.7
131.08569	18.2
133.10129	12.7
135.11674	25.2
137.09576	1.2
137.13229	8.1
139.11095	1.0
145.10117	13.9
147.11700	8.9
149.09589	0.9
149.13248	18.9
149.14375	1.4
151.14806	1.7
153.12755	2.3
154.20932	0.7
159.11685	13.1
161.13248	9.4
163.11168	0.8
163.14825	12.7
165.12737	2.1
167.20131	0.7
173.13255	15.8
175.14851	3.0
175.76733	0.8
177.12767	1.4
177.16391	2.9
179.14380	1.3
187.14819	9.3
191.14400	0.9
201.16405	2.6
203.17838	0.8
205.15878	1.8
215.17953	0.9
219.17448	1.1
233.22662	2.9
243.21127	16.7
261.22134	81.9
262.22632	1.1
279.23267	7.2
293.52185	0.9
317.24570	0.9
335.25824	6.9
353.26840	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05511	12.6
57.07066	4.6
67.05505	82.6
69.07064	14.5
69.90004	14.3
71.04987	3.9
71.08622	2.4
75.53092	2.4
79.05495	49.0
81.07061	94.2
83.08628	7.8
90.34358	2.7
91.05472	27.1
93.07048	61.5
95.04942	2.8
95.08612	72.4
97.06534	3.4
97.47379	2.2
98.21501	4.4
105.07028	19.7
107.08595	38.0
109.10168	40.2
117.07022	10.4
119.08614	16.7
121.10148	34.0
123.08180	2.9
123.11731	20.5
131.08569	23.2
133.10138	17.2
135.11685	33.4
137.13246	10.6
145.10158	16.2
147.11682	11.4
149.13287	23.1
159.11710	15.8
161.13281	11.6
163.14874	16.7
173.13275	19.5
177.16336	3.1
187.14812	10.2
191.86574	3.0
223.83310	2.9
233.22661	4.5
236.08514	2.9
243.21069	20.6
255.57779	2.8
261.22147	100.0
279.23254	3.0
335.25934	4.4
349.97006	3.3
353.26819	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.14503	2.5
53.03944	4.5
55.05509	14.9
57.03415	7.5
57.07068	5.8
61.49363	3.0
67.05504	90.9
69.07047	13.2
70.01399	17.0
71.04977	3.5
79.05486	36.9
81.06588	5.2
81.07056	95.6
83.08623	8.6
86.88979	3.1
91.05476	19.8
93.07040	51.2
95.04958	2.9
95.08606	79.0
97.10149	4.6
103.73031	3.1
105.06998	17.8
106.29468	2.9
107.08611	30.8
109.10155	33.7
117.06995	7.1
119.08555	11.2
121.10131	30.0
123.11712	24.0
131.02417	3.1
131.08594	20.4
133.10124	10.7
135.11687	29.1
137.13237	10.3
137.82927	3.1
145.10147	14.8
147.11684	14.5
149.13257	23.0
153.12782	3.0
158.78871	3.0
159.11673	17.8
161.13303	14.4
163.14835	14.4
173.13301	20.3
175.14891	5.4
177.16319	8.9
187.14876	14.2
201.16231	5.4
233.22620	4.8
243.21103	23.4
261.22144	100.0
279.23215	8.0
335.25693	7.5
353.26837	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05512	20.2
55.40784	1.9
57.03423	6.6
57.07071	3.4
58.06569	2.7
61.34577	1.9
65.03947	3.6
67.05503	100.0
69.07071	15.7
70.64339	7.0
71.04985	5.4
71.08630	2.2
79.05492	43.2
81.07057	95.8
83.04987	4.9
83.08619	7.8
85.06538	4.6
91.05479	25.4
92.05817	2.9
93.07043	50.2
95.04942	5.7
95.08603	70.1
97.06567	4.2
97.10159	2.4
99.08070	2.3
105.07036	20.6
107.08595	34.9
109.06489	3.0
109.10154	35.5
111.08064	2.4
117.07023	11.9
119.08582	14.3
121.10148	30.4
123.11706	18.6
129.07019	3.2
131.08568	20.0
133.10139	11.8
135.11696	22.4
137.09605	3.2
137.13297	5.8
143.08546	5.3
145.10130	15.0
147.11717	8.7
149.09674	2.6
149.13234	20.1
155.08492	5.0
157.10114	4.9
157.74960	2.2
159.11685	13.6
161.13251	7.4
163.14822	9.1
167.08617	2.2
169.10164	4.6
173.13301	14.2
175.14873	5.3
177.12683	2.6
177.16435	3.5
183.11790	3.1
184.30872	2.0
187.14870	5.8
192.70830	2.1
197.13203	3.7
199.14865	2.4
215.14291	4.1
243.21036	18.0
261.22159	77.3
267.95035	2.1
279.23181	6.0
335.25613	8.1
353.24225	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	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43208	0.4
55.05497	2.0
65.03930	0.5
65.21873	0.5
67.05497	1.6
71.57918	0.7
76.69386	0.4
77.00893	1.7
79.05485	1.0
81.07031	1.6
89.50986	0.5
91.05470	0.7
93.07037	1.5
95.01940	0.7
95.04990	0.7
95.08607	1.2
97.06487	0.7
105.07016	1.4
107.08579	1.0
109.06477	0.8
109.10120	0.5
117.03392	0.9
117.07055	0.5
119.08558	0.5
121.10125	0.8
123.11745	0.6
131.08601	0.6
133.10155	0.6
138.41096	0.4
141.04047	0.5
145.02831	2.6
158.37602	0.5
174.74245	0.5
177.05432	3.9
213.09581	0.7
215.11343	2.0
231.10799	0.8
243.14458	1.5
253.12822	1.9
271.13904	2.5
290.43585	0.5
317.19498	0.6
335.20544	3.3
342.86667	0.5
353.22943	100.0
354.23254	5.2
358.22015	0.5
371.22839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0866
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
54.96414	0.2
55.05507	0.2
63.02370	0.4
67.05495	0.7
69.03407	0.3
70.61639	0.6
70.61996	0.3
71.01367	0.2
78.04703	0.3
79.05489	0.9
81.07047	0.5
85.02900	0.8
89.03913	7.2
91.05482	0.9
93.07033	0.7
95.01305	0.4
95.04970	0.5
95.08603	0.3
97.02897	0.2
103.05463	0.7
105.07039	0.4
106.04148	0.4
106.14842	0.2
107.04935	0.3
107.08595	0.2
109.10207	0.3
115.05475	0.2
117.03376	22.9
118.03699	0.3
119.04925	0.3
119.08601	0.3
121.10149	0.4
124.05184	0.4
131.04892	0.3
134.03625	1.8
135.04410	1.9
135.08122	0.2
137.05946	0.3
141.01813	0.7
145.02837	51.9
146.03174	1.2
147.04370	0.4
149.05966	7.7
157.10075	0.2
158.06020	0.3
161.05922	0.2
162.03125	0.3
162.06744	0.3
163.03915	0.7
167.07062	0.4
177.05460	100.0
178.05815	2.0
186.05501	1.7
187.07558	0.3
189.09341	0.2
191.07050	0.4
195.06509	0.3
203.07057	0.3
207.96983	0.2
209.56351	0.2
211.07422	0.2
228.27010	0.2
260.06772	2.0
263.06876	0.2
265.79108	0.2
289.14035	0.2
291.08841	0.2
321.11191	0.6
353.08704	3.7
353.13467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0865
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
55.05508	0.4
59.24442	0.2
63.02400	0.3
67.05494	0.5
69.03415	0.6
69.53907	1.8
69.54315	0.4
70.06580	0.3
71.01351	0.5
71.04998	0.4
71.54490	0.2
72.08153	0.3
78.04707	0.3
79.05473	0.5
81.07053	0.5
85.00544	0.2
85.02907	1.1
86.09667	0.3
87.11536	0.3
89.03907	7.2
91.05476	0.7
93.07024	0.6
95.01316	1.1
98.21571	0.5
103.05497	0.6
105.07004	0.3
106.04144	0.5
112.99010	0.3
117.03372	22.9
118.03674	0.4
119.04987	0.8
120.08105	0.3
134.03630	1.7
135.04399	1.6
137.05988	0.3
141.01836	1.6
145.02835	53.9
146.03177	1.3
147.04401	0.4
149.05968	7.6
149.07135	0.6
158.05983	0.3
159.11345	0.2
162.06731	0.5
163.03828	0.7
177.05457	100.0
178.05798	2.1
186.05508	0.9
206.15353	0.3
236.65100	0.3
260.06766	2.4
307.08212	0.3
353.08707	3.6
353.12817	0.6
353.20575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0864
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
55.05483	1.3
56.03466	0.4
57.03421	0.6
67.05508	2.8
69.03410	0.8
69.07050	1.4
71.04967	0.4
71.57677	0.9
78.33157	0.4
79.05488	2.7
81.03385	0.5
81.07043	3.0
83.04964	0.6
83.08617	0.7
85.02891	0.8
89.03905	6.1
91.05444	2.3
93.07028	1.7
95.01341	0.6
95.04960	1.0
95.08611	2.5
97.10134	0.5
103.05404	0.5
105.07027	1.9
107.04982	0.6
107.08578	1.6
108.08085	0.5
109.10136	1.5
117.03375	22.0
117.06941	0.6
118.03644	0.5
119.04910	0.6
119.08590	1.4
121.10136	1.4
123.08083	0.5
131.04970	0.7
131.08566	0.4
133.10059	0.4
134.03592	1.5
135.04381	1.7
137.56281	0.5
141.01826	0.8
145.02837	51.3
145.10126	1.6
146.03175	1.5
147.04385	1.3
147.11604	0.5
149.05980	7.0
151.07504	0.5
151.11162	0.4
158.06010	0.5
159.11699	0.5
161.13258	0.6
162.06834	0.8
163.03877	0.6
167.07051	0.9
173.13313	0.5
177.05457	100.0
178.05725	2.3
186.05492	1.7
189.07399	0.4
191.07005	0.7
218.07230	0.6
233.08009	0.7
246.06776	0.9
249.08990	0.6
260.06757	1.5
261.09055	0.8
289.08459	0.7
321.11209	1.7
353.08832	3.0
353.13940	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	352.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05508	20.0
57.03434	4.2
57.07060	11.5
60.05880	2.6
60.53666	2.8
61.84913	2.5
62.40275	2.9
67.05508	41.0
69.03421	6.9
69.07063	15.7
69.10043	3.0
70.09261	6.9
70.09679	7.6
71.08633	61.0
72.04513	40.9
72.08144	9.1
79.05503	21.6
81.07056	48.0
83.08622	9.2
85.06549	4.6
91.05486	10.1
93.07049	29.1
95.04952	10.5
95.08611	41.4
97.06496	8.7
97.10158	8.6
97.25261	2.7
99.08090	33.0
105.06997	14.6
107.08606	31.0
109.06522	19.3
109.10159	14.6
111.08131	3.0
114.09140	10.9
114.67924	2.7
117.07017	3.3
119.08554	12.8
121.06503	6.5
121.10151	16.5
123.11732	6.9
128.10672	7.1
131.08582	13.6
133.10117	10.2
135.08060	7.9
135.11658	8.2
137.06090	3.2
137.13268	5.0
142.12244	3.5
145.10129	9.5
147.11668	10.9
149.13258	9.3
159.11636	4.1
165.12743	100.0
169.15826	3.5
173.13249	9.8
175.14825	3.8
180.13797	5.2
182.15408	11.9
183.13815	3.4
184.13406	3.6
187.14793	3.1
191.14319	11.7
201.12830	5.2
212.16449	11.7
220.16852	14.8
236.20073	47.6
251.23701	4.4
254.21042	5.5
261.22122	13.2
271.20703	7.2
289.21631	31.9
307.22565	7.6
316.26382	8.2
334.27402	83.8
335.23041	3.0
335.27646	7.2
352.28625	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	353.0843
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
69.03405	7.4
69.45097	4.0
70.70229	9.8
70.70597	8.1
70.85557	4.2
85.02896	14.9
90.89164	3.7
94.56737	5.3
97.02896	5.9
100.17262	5.3
127.03825	7.0
161.02963	6.5
168.37813	4.2
173.02980	8.0
183.05063	5.4
185.03006	6.6
204.03278	3.8
245.05089	6.7
305.92685	3.9
307.57275	4.8
353.08499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2842
Annotation	Melophlin R
Peak:m/z	Relative Intensity
54.46625	0.7
55.01853	0.8
55.05510	4.5
56.05021	2.7
57.03430	1.2
62.06075	0.9
64.65927	0.8
67.05507	6.9
67.67052	0.9
68.05828	1.0
69.03429	1.3
69.07076	5.7
70.06025	2.0
70.06418	1.5
70.48187	0.8
70.72898	0.8
74.06087	7.2
79.05486	6.7
80.05017	1.3
81.07056	10.7
82.07397	0.9
83.08602	1.8
85.48485	0.8
91.05490	4.1
93.07048	9.1
94.06535	0.8
95.01276	0.8
95.04978	1.1
95.08604	8.2
97.10162	0.8
105.07036	6.2
107.08601	9.2
108.08881	1.2
108.86475	0.7
109.10143	3.1
117.03402	0.9
117.07041	1.4
119.08575	5.6
120.08076	1.2
121.06482	0.9
121.10107	3.1
123.08044	0.9
123.11742	0.9
131.08571	2.2
133.10109	3.5
135.08115	0.8
135.11690	2.9
141.01846	0.8
142.12247	1.5
145.02859	3.1
145.06514	0.8
145.10138	1.2
146.37486	0.7
147.11682	2.7
149.09602	0.8
149.13232	2.7
152.10724	1.3
159.11665	1.6
161.13254	4.3
162.12741	1.3
163.14793	1.3
167.16881	0.7
173.13239	1.2
175.14896	1.8
177.05450	5.5
177.12715	1.7
206.15376	8.9
208.16910	4.2
222.18500	7.2
229.00865	0.8
260.20911	1.6
261.22034	0.9
275.20087	1.2
292.22678	3.3
313.05038	1.3
320.25690	1.2
328.07474	1.6
334.27582	1.3
344.28683	0.8
352.07922	2.1
352.22165	6.8
352.28470	100.0
353.28796	7.8
370.08429	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03938	5.0
54.40289	1.6
55.01869	5.7
55.05507	20.0
57.03440	10.5
57.07089	3.0
57.44744	2.0
59.79728	1.9
60.25301	1.5
65.03932	2.8
67.05502	57.7
69.07063	18.1
70.49374	7.2
71.04968	3.4
71.08656	2.1
77.27961	1.8
79.05492	71.7
81.07055	70.0
81.07461	1.2
82.07388	4.1
83.04978	3.3
83.08611	8.6
85.06530	6.2
91.05479	58.6
93.07042	100.0
94.07382	2.4
95.04960	9.3
95.08601	43.8
97.06551	4.1
97.10176	3.6
99.08086	4.8
105.07024	60.5
107.05029	1.6
107.08591	54.9
109.06516	7.6
109.10155	18.9
111.04453	4.7
111.08070	2.2
117.07005	12.5
119.08574	58.6
119.84439	1.6
121.09317	3.4
121.10140	44.1
123.08112	3.2
123.11716	3.5
125.09650	2.6
125.22523	1.7
129.07014	7.9
131.08571	22.2
133.10118	51.4
135.08067	3.7
135.10690	2.8
135.11690	42.8
137.05978	35.9
137.09572	3.5
138.19754	1.9
139.11192	2.1
143.08583	11.8
144.09354	2.5
145.10115	22.9
147.11685	50.8
149.09657	2.7
149.13258	27.6
151.11197	2.0
157.10077	10.1
159.11703	21.3
160.11967	1.7
161.09570	2.6
161.13257	38.0
163.11162	3.1
163.14876	9.5
171.11678	16.6
173.13275	12.6
175.11206	4.7
175.13754	1.7
175.14880	18.4
177.12764	3.8
183.11786	2.0
185.13280	13.1
187.14812	2.5
189.12810	2.8
199.14873	8.3
203.14305	2.9
203.18031	2.7
213.16400	5.5
217.19479	3.7
221.15504	2.0
231.17389	7.4
231.21046	6.4
235.36252	1.9
241.19478	33.8
249.18515	4.0
259.20578	94.5
260.20721	2.6
277.17984	4.5
277.21600	14.4
295.18906	2.7
310.82117	2.4
333.24216	6.2
351.21460	7.8
351.25342	50.1
351.29871	2.4
352.25284	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.5
55.01865	5.5
55.05512	27.5
57.03417	11.9
57.07069	3.5
59.65826	3.0
67.05498	54.6
69.07081	17.9
69.49236	28.5
71.04990	3.1
79.05487	59.1
81.07053	69.7
83.08608	8.5
85.06532	7.4
91.05472	59.7
93.07045	100.0
95.04971	7.8
95.08604	50.6
96.46954	3.1
97.06519	4.4
97.10177	6.4
99.08077	5.6
105.07026	57.3
107.08596	62.8
109.06493	5.9
109.10149	17.3
111.08071	4.4
117.07027	12.7
119.08569	60.4
121.10128	49.6
123.11687	7.8
125.22944	2.9
128.06229	5.8
129.06993	5.5
131.08560	20.7
133.10126	56.6
135.08064	4.2
135.11676	48.2
137.09570	5.3
143.08554	9.5
145.10129	26.4
147.11700	46.6
149.13281	27.0
153.45862	3.2
157.10072	9.4
159.11682	21.1
161.13264	34.7
163.11159	4.6
163.14777	10.6
171.11691	13.4
173.13284	10.6
175.14844	19.0
177.12714	3.5
185.13272	14.9
187.14763	7.8
199.14836	10.1
213.16423	6.1
217.19609	3.5
221.37312	3.2
222.30710	3.1
231.21129	7.5
241.19456	34.0
259.20575	95.7
260.20972	4.9
277.21643	18.1
301.63245	3.9
333.24200	6.9
351.25436	48.4
351.29895	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
53.38142	3.2
55.01863	9.8
55.05509	38.8
57.03428	25.9
57.07055	6.9
60.33264	3.6
61.02917	6.0
67.05497	96.7
69.03421	4.5
69.07067	49.8
69.24539	36.2
69.24944	7.1
71.04969	5.8
71.08627	74.7
73.27870	3.8
79.05488	78.4
81.03413	10.8
81.07046	100.0
83.04984	13.6
83.08611	32.4
85.06552	6.5
91.05471	64.3
93.07040	95.5
95.04970	22.5
95.08598	63.7
97.02888	8.7
97.06519	15.6
97.10134	6.2
99.08092	51.2
105.07021	50.8
107.04932	11.1
107.08582	50.2
109.06489	9.1
109.10128	32.8
111.08090	8.8
113.50571	4.7
115.96124	4.0
117.07025	5.7
119.08569	31.1
121.10118	35.8
123.08069	4.6
123.11683	6.6
129.07005	7.3
131.08560	13.3
133.03436	7.6
133.10124	32.1
135.11684	45.9
137.09540	6.1
141.91364	3.4
143.08540	5.6
145.10121	13.6
147.10695	4.2
147.11676	26.2
149.13237	22.0
151.04521	5.3
151.11186	32.8
157.10132	7.1
159.11679	9.8
161.13243	35.7
163.11186	15.3
163.14796	6.5
165.12701	7.7
167.10663	3.9
171.11682	9.6
173.13332	4.8
175.04510	4.5
175.14859	6.6
177.12799	4.8
179.14282	79.1
180.69688	3.6
185.13271	5.8
185.30997	4.2
189.16319	4.6
211.04630	4.2
231.21120	5.3
235.16902	6.4
241.19591	14.6
259.20554	36.3
277.21606	47.8
321.22656	5.5
351.25253	54.0
361.65204	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01862	4.1
55.05265	1.7
55.05511	21.4
57.03185	1.7
57.03435	19.0
57.07048	3.7
58.59516	1.4
65.03929	2.3
67.05505	63.8
69.07068	20.2
69.49839	4.9
69.50271	6.6
71.04986	2.8
71.08628	63.9
72.08973	1.3
75.49193	1.7
79.05491	50.3
81.03419	9.1
81.07056	59.7
83.04979	13.1
83.08614	11.6
85.06498	3.6
90.14268	1.4
91.05479	37.0
92.23257	1.2
93.07039	70.9
95.04964	16.6
95.08604	45.3
97.06538	11.8
97.10150	5.2
98.21429	3.1
99.08086	38.8
103.05443	1.5
105.07023	23.4
107.04967	8.5
107.08591	32.7
108.08977	1.4
109.06505	4.9
109.10152	16.7
111.08085	3.0
113.09630	3.3
117.07001	5.6
119.08578	18.8
121.10143	27.9
123.08054	1.9
123.11681	2.7
125.09628	2.0
127.11069	1.5
129.07042	2.5
131.08530	5.3
133.10117	16.5
135.11694	35.9
137.09601	5.3
141.09090	4.5
143.08548	2.8
145.10152	4.8
147.11703	9.2
149.09651	2.1
149.13287	12.0
151.11174	22.8
153.12700	3.6
157.10130	2.5
159.11673	5.1
161.09622	2.3
161.13228	15.6
163.11151	6.0
163.14818	4.1
165.12823	1.8
167.10652	2.1
171.11670	3.7
173.13229	1.7
175.14856	2.7
176.50957	1.4
177.12738	5.3
179.14305	100.0
180.14642	1.7
185.13293	1.7
189.12660	2.2
199.14851	2.7
221.15302	2.7
235.16919	6.5
238.91077	1.3
241.19493	4.2
259.20584	6.5
277.21619	29.0
292.22772	1.9
307.84692	1.4
351.25449	20.7
352.24933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.17870	1.6
55.01860	3.7
55.05513	25.8
57.03435	17.7
57.07059	6.1
59.43792	1.8
62.55903	2.0
64.50606	1.6
67.05502	54.4
69.03415	2.5
69.07065	18.7
69.46390	16.8
71.04987	3.2
71.08631	57.4
75.70729	1.6
79.05492	52.5
81.03408	8.5
81.06586	2.9
81.07056	52.7
83.04987	10.6
83.08629	11.8
85.06532	2.2
91.05480	38.6
93.07040	70.7
95.04974	17.1
95.08604	41.2
97.06527	10.1
97.10161	5.7
99.08097	40.5
105.07031	24.1
107.04942	6.9
107.08585	33.1
109.06509	5.9
109.10152	18.9
111.08048	3.6
113.09626	4.0
117.07000	5.9
119.08582	18.9
121.10135	28.7
123.08043	5.0
123.11680	3.9
125.09554	2.0
129.06967	3.6
130.17110	1.7
131.08565	6.1
133.09357	1.9
133.10136	17.8
135.08025	2.0
135.11690	35.4
137.09601	3.1
139.11150	2.8
141.09097	4.9
143.08524	3.9
145.10078	5.5
147.11673	11.5
149.09683	2.3
149.13272	11.1
151.11171	21.5
153.12775	2.2
157.10094	3.4
159.11676	5.7
161.13306	14.7
163.11180	6.0
163.14772	2.7
164.36754	1.7
165.12749	4.9
167.10648	2.9
171.11681	2.7
173.13290	3.4
175.14873	2.8
177.12761	4.2
179.14310	100.0
181.12303	1.8
185.13266	3.4
189.12714	3.2
231.12639	1.7
235.16902	3.2
241.19586	2.6
247.50555	1.8
251.05467	1.7
259.20483	12.7
277.21616	34.4
292.32666	2.0
293.21072	3.5
335.50531	1.7
351.25351	32.4
352.25101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31117	1.7
53.03941	4.2
55.05507	20.9
57.03433	12.1
57.07063	5.1
61.58676	1.5
61.72685	1.6
64.75735	1.4
65.03925	4.3
67.05502	56.2
69.07068	16.7
71.04983	4.1
79.05489	85.6
81.07050	62.2
83.04977	2.8
83.08626	10.6
85.06515	4.0
91.04900	2.0
91.05479	60.2
93.07040	100.0
95.04977	7.1
95.08605	49.2
95.09065	1.2
97.06527	3.2
97.10172	3.0
99.08088	5.3
105.07025	64.1
107.08591	61.3
109.06517	4.4
109.10148	16.4
111.08075	3.0
113.09621	2.6
117.07018	14.1
119.08578	62.1
121.06544	2.8
121.10136	46.7
123.08101	4.2
123.11732	2.8
129.07002	12.9
131.08559	26.3
133.10129	52.4
135.08044	3.1
135.11690	50.1
137.05966	3.4
137.09598	1.9
141.12682	1.9
142.07837	2.9
143.08563	13.2
145.10109	27.9
147.11678	51.5
147.12799	3.1
149.09656	2.8
149.13249	32.1
151.11275	2.1
157.10107	14.5
159.11684	22.5
161.13255	41.7
163.11128	3.9
163.14821	10.1
171.11674	21.4
173.13232	15.0
175.11192	3.4
175.14836	24.1
177.12726	3.0
179.14355	1.9
185.13222	14.2
187.14821	3.5
189.12749	4.0
189.16389	2.0
195.13757	1.9
199.14818	6.3
203.14301	1.8
213.16353	4.1
215.17961	3.7
217.19508	8.0
221.15425	1.9
231.17412	4.6
231.21069	10.4
241.19501	40.1
243.20880	1.9
259.20566	98.9
260.21011	5.0
277.21613	13.6
312.79944	2.0
333.24203	8.8
351.21329	3.6
351.25272	52.6
352.25568	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.0
53.03930	4.1
55.01858	5.2
55.05262	2.3
55.05509	25.0
57.03434	18.9
57.07055	5.1
59.04986	1.4
59.33452	1.2
61.20401	1.2
65.03932	3.0
67.05502	64.6
69.03443	1.6
69.07062	21.2
69.37047	7.1
69.37476	4.7
71.04987	4.3
71.08631	60.5
73.78808	1.2
79.05486	59.2
81.03413	7.5
81.07051	56.3
81.07462	1.0
82.07374	1.6
83.04977	12.9
83.08604	13.6
85.06535	5.5
91.04897	2.0
91.05476	40.2
93.07037	69.9
95.04969	16.3
95.08599	46.6
97.06527	12.3
97.10162	3.4
99.08089	39.9
105.07027	29.7
107.04955	10.1
107.08578	37.5
109.06487	4.7
109.10146	18.1
111.08096	3.6
113.09635	3.0
117.07033	7.5
119.08571	22.1
121.06493	3.1
121.10136	30.2
123.08102	2.8
123.11684	3.1
124.25215	1.4
125.09583	2.4
127.11146	2.1
127.76708	1.1
129.06947	2.3
131.08574	7.5
133.10130	17.6
135.08025	1.3
135.11684	37.0
137.09570	4.1
141.09053	4.9
143.08545	3.8
145.10133	6.9
147.11673	8.7
149.13242	15.5
151.11176	24.1
153.12787	2.0
157.10141	1.9
159.11659	5.9
161.13239	17.0
163.11140	7.4
163.14769	2.1
165.12836	1.5
167.10675	3.7
171.11705	3.1
173.13226	3.4
175.14774	2.4
177.12785	5.5
179.14304	100.0
180.14723	2.2
185.13249	3.2
189.12753	3.9
195.13638	1.6
199.14833	2.5
203.14247	1.9
209.15501	1.5
221.15260	3.1
231.21266	1.5
235.16895	3.6
241.19525	2.5
259.20587	8.9
277.21622	30.1
292.22763	1.5
351.25305	23.4
352.25000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.05502	15.4
57.03422	8.1
57.07066	2.0
64.72499	2.2
65.03934	2.7
67.05502	44.0
69.07059	13.8
70.25291	1.6
71.04984	2.8
72.94509	2.0
79.05489	61.3
81.07050	51.4
82.81994	1.9
83.04979	1.9
83.08619	6.3
85.06531	4.7
91.05473	59.0
93.07036	85.4
95.04968	9.0
95.08601	35.6
97.06504	2.5
99.08088	4.0
105.07023	69.1
107.08582	47.4
109.06505	4.3
109.10161	11.1
111.74274	1.8
113.09657	2.1
117.07001	12.0
119.08572	57.2
120.08894	2.6
121.10132	30.5
123.08121	2.2
123.11691	3.5
129.06985	7.2
131.08571	24.2
133.10118	46.2
135.08073	3.4
135.11679	40.0
141.89093	1.7
143.08548	11.2
145.10109	25.2
147.11676	46.5
148.12126	1.9
149.09633	2.5
149.13260	26.2
149.26520	2.1
151.11168	3.4
157.10129	8.1
159.11684	22.1
161.13245	36.3
163.11250	2.5
163.14801	6.5
165.12662	2.2
171.11664	15.1
173.13280	11.1
175.14813	17.3
177.12704	3.1
185.13275	13.4
187.14816	3.3
199.14806	6.2
203.14294	2.2
204.88904	2.1
213.16309	4.8
215.98055	1.9
217.19333	2.7
231.17447	3.0
231.21045	8.4
237.04588	2.0
241.19482	31.9
258.00485	1.9
259.20557	100.0
260.20804	3.5
277.21609	6.3
333.24158	2.6
351.18515	4.1
351.25281	36.8
351.29517	2.2
352.25653	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05506	20.4
57.03434	8.1
65.03955	3.4
67.05503	50.1
69.07059	17.4
69.97655	1.9
70.53690	8.2
71.04996	3.5
77.03974	2.4
79.05489	83.1
81.07051	67.7
83.04964	2.5
83.08618	8.9
85.06551	4.2
91.04905	3.0
91.05473	62.2
93.07038	100.0
95.04970	11.5
95.08603	41.2
97.10124	2.7
97.48727	2.0
99.08099	3.1
105.07022	65.2
107.08591	57.7
109.06474	2.5
109.10155	15.3
113.09576	2.3
117.06995	11.6
119.08575	57.7
121.10133	45.1
121.10923	3.6
123.11719	3.4
129.07030	10.1
131.08540	24.2
133.10130	55.8
135.08023	3.4
135.11690	49.9
143.08554	10.7
145.10136	23.1
147.10519	3.0
147.11682	53.1
149.09618	4.9
149.13248	33.3
157.10146	6.4
159.11693	21.9
161.13254	43.3
163.11182	2.1
163.14865	7.5
171.11688	14.9
173.13228	14.5
175.14812	17.5
177.12692	3.0
185.13199	14.1
187.14758	3.6
191.14584	2.4
199.14897	8.9
203.14252	2.9
213.16312	5.1
217.15877	2.4
217.19579	3.7
231.17334	2.6
231.21085	9.9
241.19484	36.6
259.20560	97.6
260.21039	3.4
267.16229	2.1
277.21616	16.2
333.24240	7.1
351.25281	48.4
352.25540	2.4
356.10956	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20444	3.1
53.03935	7.6
55.05519	18.0
56.35140	2.9
57.03427	7.7
57.07080	4.7
61.16577	2.7
67.05501	48.3
67.88674	3.3
69.07065	16.7
70.01579	14.7
70.65462	3.0
71.04984	5.3
71.08630	5.9
78.52808	3.0
79.05066	5.5
79.05495	57.4
81.07059	62.1
83.08626	9.7
91.05476	49.2
93.07043	69.4
94.07337	4.0
95.04983	7.2
95.08611	48.7
97.10182	4.4
99.08090	6.7
105.07029	49.1
106.07252	3.1
107.08589	46.0
109.06484	3.5
109.10160	15.5
117.07001	16.7
119.08583	54.3
121.10133	34.3
123.11667	5.2
129.06987	8.3
131.08580	24.3
133.10133	47.7
135.11696	32.0
143.08560	13.0
145.10109	25.7
147.11688	60.9
149.09583	4.7
149.13225	26.4
157.10132	12.9
159.11673	32.6
161.13263	48.5
163.14845	11.2
171.11679	13.6
173.13287	18.8
175.14819	17.8
177.12825	4.4
182.59387	3.2
185.13213	18.0
187.14790	8.9
199.14816	12.0
201.16383	4.6
213.16354	7.0
215.17966	4.0
227.17868	4.5
231.21028	5.1
231.83092	2.8
241.19516	26.3
259.20578	100.0
277.21634	4.1
329.33173	2.9
351.21344	16.2
351.25305	35.0
351.30432	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60850	1.2
53.03928	4.1
55.01863	2.5
55.05505	20.9
57.03431	11.7
57.07059	4.8
65.03920	1.9
67.05499	58.9
69.07059	19.6
69.39759	5.9
69.40179	5.0
71.04974	4.5
71.08616	4.6
75.04456	2.1
75.62009	1.1
77.03884	1.9
79.05485	72.0
81.07049	64.1
81.34884	1.1
83.04939	1.7
83.08614	10.3
85.06537	6.0
90.94278	1.3
91.05470	67.4
93.07034	97.0
94.07352	1.9
95.04951	10.4
95.08598	44.0
97.06522	4.8
97.10164	2.3
99.08083	6.9
103.05467	1.4
105.04507	1.7
105.07023	57.5
106.02825	1.1
107.04942	1.7
107.08585	59.8
109.06491	3.3
109.10143	16.8
111.08052	2.5
113.09668	1.7
117.07012	13.3
119.08571	61.1
120.08940	1.8
121.10133	45.4
123.08031	1.5
123.11688	5.1
128.06226	1.2
129.06999	7.4
131.08551	22.4
133.10118	49.3
135.11676	48.3
135.12704	2.1
137.09570	1.5
143.08551	8.9
145.10104	25.4
147.11676	50.5
149.09625	1.9
149.13246	29.1
151.11177	3.5
157.10098	10.4
158.10588	1.1
159.11671	22.0
159.12875	2.1
161.09729	1.6
161.13237	37.9
162.13603	1.4
163.11182	3.3
163.14821	10.4
165.61365	1.1
171.11676	15.5
173.13239	12.0
175.11215	2.4
175.14807	22.8
177.12744	3.5
177.16376	1.9
179.14259	6.2
185.13249	14.6
187.14784	3.5
189.12744	3.8
191.14313	1.9
199.14809	8.3
201.16234	1.2
203.14275	3.5
213.16296	6.1
215.18016	2.2
217.19484	3.8
217.21335	1.3
231.17451	2.7
231.21039	9.1
241.19485	37.3
242.19771	1.1
259.20563	100.0
260.20999	3.5
277.21567	19.0
292.75241	1.2
333.24152	8.9
351.25269	51.9
352.25568	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01876	4.5
55.05512	20.7
56.55972	2.8
56.94247	2.6
57.03429	7.0
57.07076	5.6
67.05506	49.0
69.07066	19.2
70.71336	4.5
70.71672	5.1
71.04995	3.2
71.08613	2.5
79.05488	66.9
81.07052	53.3
83.08619	8.5
85.06528	3.7
91.05475	64.8
93.07039	92.9
94.07342	3.4
95.04973	9.4
95.08595	41.3
97.10167	4.5
99.08104	4.6
105.07026	74.6
107.08588	53.1
109.06576	3.7
109.10159	14.9
111.08096	5.2
113.60939	2.8
117.07034	15.4
119.08574	59.2
121.10142	36.5
123.11696	4.1
128.06279	2.8
129.06157	2.6
129.06972	15.6
131.08546	31.3
133.10121	56.1
135.11678	32.2
137.06004	3.8
137.09570	3.5
143.08571	14.5
145.10106	31.5
147.08037	3.8
147.11676	52.0
149.09610	4.9
149.13271	18.3
151.11214	3.1
157.10155	11.2
159.11681	24.3
161.13266	45.1
163.11205	2.6
163.14828	8.6
171.11667	17.7
173.13263	11.3
175.14833	21.2
177.12723	3.0
185.13313	18.5
187.14679	3.7
189.16513	3.3
199.14864	8.6
213.16327	7.3
215.18129	3.0
231.17506	4.8
231.21130	8.7
240.14812	3.0
241.19505	31.3
256.88309	3.3
259.17731	4.8
259.20538	100.0
260.20917	3.6
277.21606	4.5
343.45901	3.1
351.21274	23.9
351.25314	37.9
351.30341	6.0
352.25613	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05507	19.6
57.03439	17.5
57.07065	4.0
67.05503	60.9
69.07067	20.7
71.08624	6.3
75.04465	2.8
77.03896	3.7
79.05061	5.6
79.05492	72.8
81.07053	81.7
83.04985	6.9
83.08620	12.1
85.06551	6.0
85.33417	2.5
89.90959	2.4
91.05476	61.0
93.07037	100.0
95.04970	15.2
95.08596	51.0
97.06550	6.9
97.10151	5.3
99.08102	10.8
105.07020	65.4
105.07684	4.9
107.08591	58.4
109.06550	6.9
109.10171	18.3
117.05471	5.6
117.07012	14.0
119.08575	61.0
121.10119	37.9
123.08073	4.7
123.11676	5.9
128.06213	3.1
129.07013	9.1
131.08557	24.5
133.10133	49.8
135.08072	4.2
135.11685	41.5
137.05981	9.4
141.07014	2.9
143.08560	10.7
145.10100	26.0
147.11682	54.4
149.09637	4.4
149.13275	27.0
151.11189	4.9
155.08528	4.0
157.10130	16.1
159.11685	22.5
161.13248	36.1
163.11206	6.9
163.14807	6.7
171.07997	3.2
171.11659	14.7
173.13271	8.4
175.14799	17.0
177.12735	2.7
179.08626	3.3
179.14340	5.8
183.11505	2.9
185.13312	14.3
187.14847	5.0
199.14891	6.2
213.16391	7.7
215.17902	2.7
220.20621	2.9
221.13391	3.8
231.21089	7.0
241.19533	28.6
259.20557	97.5
260.20831	3.3
277.21548	17.2
333.24527	5.5
351.25229	40.6
351.30493	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	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01863	2.3
55.05508	6.3
57.03418	4.2
57.07059	1.5
65.03934	1.3
67.05501	17.6
69.07065	6.5
69.93102	5.8
71.04978	1.8
71.08623	2.2
79.05489	17.4
81.03408	2.3
81.06586	1.2
81.07053	16.8
83.04958	1.7
83.06104	1.0
83.08592	3.1
85.06547	1.1
91.05474	14.3
93.07043	17.9
95.04977	2.4
95.08607	9.5
97.06514	2.0
97.10109	1.5
99.08062	3.5
105.07017	13.3
107.04916	1.2
107.08593	12.4
109.06521	0.9
109.10146	3.9
111.08075	1.2
117.06998	3.7
119.04902	1.0
119.08582	10.7
121.10126	8.6
123.08074	1.1
129.06990	2.1
131.08566	4.8
133.10124	8.8
135.11667	6.1
137.09589	1.4
143.08548	2.5
145.10143	5.5
147.11687	8.0
149.13246	2.5
151.11139	1.6
155.08684	1.0
157.10135	3.6
159.11639	4.5
161.09625	1.1
161.13258	5.1
163.11121	1.1
163.14876	1.3
171.11665	3.7
173.08104	1.1
173.13315	2.0
175.14809	2.7
179.14262	1.0
185.13286	1.5
189.12836	1.3
207.06444	1.5
215.11313	1.1
231.21071	1.4
241.19510	4.2
243.14221	1.2
259.20529	14.7
265.08322	0.9
277.21661	4.9
333.20007	3.5
351.21344	100.0
351.25073	7.5
352.21829	3.0
355.23901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2317
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
51.38044	8.4
55.05508	21.7
57.03432	7.1
61.54581	6.7
65.61129	6.9
67.05506	34.4
69.07055	28.2
71.08611	12.6
75.50838	7.9
79.05487	35.1
80.30617	7.4
81.07047	53.6
81.65027	6.8
83.08618	10.7
86.36775	7.2
91.05479	41.9
93.07059	53.1
95.04956	20.0
95.08581	40.9
97.06484	8.6
105.07030	60.6
107.08582	42.4
109.10160	41.7
111.08047	15.9
115.05433	10.6
117.07027	8.1
119.08562	68.0
121.10140	69.4
129.07040	22.2
131.08582	43.5
133.10133	32.5
135.08090	10.1
135.11687	20.0
137.06000	24.7
143.08575	33.6
145.10162	41.3
147.08049	9.6
147.11644	26.0
155.08528	12.5
156.09370	10.3
157.10129	31.7
159.11707	33.8
161.13263	9.8
168.09334	10.4
169.10152	18.5
171.11699	25.5
173.13297	21.0
173.47159	7.2
175.14893	9.9
179.08476	9.2
181.10104	11.1
183.11687	22.4
185.13255	17.5
187.11208	10.0
187.14815	15.4
195.11702	28.8
196.12495	10.8
197.13327	15.1
199.14854	12.1
207.11830	8.1
209.13258	20.6
211.11243	17.2
211.14914	12.0
221.13219	9.6
223.14778	10.9
225.16109	10.5
229.12117	9.7
233.13457	8.0
251.17970	9.2
252.18582	13.9
253.19620	7.4
259.20587	15.5
265.19522	14.8
275.17969	11.7
277.21744	13.1
295.17123	11.7
333.22018	15.6
351.23001	100.0
364.46646	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03926	0.6
55.01876	0.7
55.05511	3.8
56.96533	0.7
57.03421	1.4
57.07055	0.9
58.06581	0.8
67.05500	8.9
69.07066	3.7
69.94064	3.3
71.08620	1.0
77.00909	0.7
79.05488	8.3
80.05862	0.8
81.03407	0.9
81.07059	10.3
82.07356	0.7
83.05005	0.9
83.08613	1.7
85.06546	0.8
91.05473	6.2
93.07045	9.0
95.04957	2.0
95.08602	6.7
95.24577	0.6
96.08155	1.0
96.23336	0.7
97.06490	0.8
97.08459	0.7
97.10123	0.7
99.08090	1.2
105.01286	0.6
105.07024	7.3
107.08603	6.1
109.06543	0.6
109.10151	1.9
117.06987	1.4
119.08574	6.6
121.10126	4.2
123.08083	0.6
123.11636	0.9
129.06985	1.1
131.08534	3.2
133.10143	4.6
135.11705	4.3
137.05986	1.0
143.08531	1.2
145.10120	2.7
147.11713	5.4
149.13246	2.1
157.10159	1.2
159.11691	2.2
161.13235	3.5
163.11044	0.7
171.11684	1.1
173.13309	1.0
175.14853	1.6
185.13266	1.3
187.14856	0.7
199.14792	0.8
201.09685	0.7
215.11111	0.8
231.21085	0.8
241.19431	2.6
257.12369	0.9
259.20569	6.5
277.21558	1.9
333.20236	1.8
351.21375	100.0
351.24942	5.4
352.21631	2.3
352.28271	1.0
369.21039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01830	0.8
55.05488	0.9
67.05496	1.7
69.07055	1.3
77.00903	1.2
79.05473	2.5
81.03415	0.8
81.07042	2.9
83.04977	0.7
91.05437	0.8
93.07040	2.2
95.08578	1.5
98.20781	1.3
99.08140	1.0
101.01508	0.7
105.07032	1.6
107.08566	1.8
109.10104	0.9
109.20802	0.7
111.08009	0.8
119.08562	1.5
135.11737	0.9
137.05927	0.8
145.10147	1.3
147.11642	1.1
155.08612	0.7
165.12769	0.9
177.12714	0.6
182.45496	0.7
215.11292	1.7
233.12236	1.0
243.14531	0.8
253.12836	1.8
254.03009	0.8
271.13953	1.7
315.18210	0.9
333.19589	1.7
351.21375	100.0
352.21738	1.9
369.21240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01863	2.3
55.05508	6.3
57.03418	4.2
57.07059	1.5
65.03934	1.3
67.05501	17.6
69.07065	6.5
69.93102	5.8
71.04978	1.8
71.08623	2.2
79.05489	17.4
81.03408	2.3
81.06586	1.2
81.07053	16.8
83.04958	1.7
83.06104	1.0
83.08592	3.1
85.06547	1.1
91.05474	14.3
93.07043	17.9
95.04977	2.4
95.08607	9.5
97.06514	2.0
97.10109	1.5
99.08062	3.5
105.07017	13.3
107.04916	1.2
107.08593	12.4
109.06521	0.9
109.10146	3.9
111.08075	1.2
117.06998	3.7
119.04902	1.0
119.08582	10.7
121.10126	8.6
123.08074	1.1
129.06990	2.1
131.08566	4.8
133.10124	8.8
135.11667	6.1
137.09589	1.4
143.08548	2.5
145.10143	5.5
147.11687	8.0
149.13246	2.5
151.11139	1.6
155.08684	1.0
157.10135	3.6
159.11639	4.5
161.09625	1.1
161.13258	5.1
163.11121	1.1
163.14876	1.3
171.11665	3.7
173.08104	1.1
173.13315	2.0
175.14809	2.7
179.14262	1.0
185.13286	1.5
189.12836	1.3
207.06444	1.5
215.11313	1.1
231.21071	1.4
241.19510	4.2
243.14221	1.2
259.20529	14.7
265.08322	0.9
277.21661	4.9
333.20007	3.5
351.21344	100.0
351.25073	7.5
352.21829	3.0
355.23901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01866	8.8
55.05511	12.9
57.03442	1.8
64.54877	1.1
65.03915	2.9
67.05503	11.0
68.87704	1.1
68.99781	1.8
69.03416	2.4
69.07059	3.3
69.90909	3.7
69.91313	2.1
79.05060	1.5
79.05488	17.1
81.03394	5.9
81.07055	14.2
83.01341	1.4
83.04964	2.1
83.08607	3.5
85.02892	1.6
91.05473	18.9
93.03384	3.1
93.07036	10.1
95.01323	2.0
95.04949	7.9
95.08604	7.3
97.02887	2.0
97.06521	1.0
97.10191	2.9
103.05466	4.3
105.03378	4.5
105.06491	1.1
105.07032	12.1
107.04952	9.5
107.08592	4.6
109.02871	4.9
109.06505	2.8
109.10151	2.3
111.04419	1.9
115.05444	5.1
117.07014	7.8
119.04924	3.6
119.08589	6.8
121.02847	2.6
121.06487	4.0
121.10176	2.6
123.04443	2.5
123.08054	1.6
125.02336	3.8
128.06200	3.3
129.06998	6.4
131.04919	4.0
131.08559	7.2
133.02864	1.7
133.06482	5.6
133.10123	2.8
135.04387	8.8
135.11673	1.3
137.02356	1.9
137.09602	1.2
139.03860	1.3
141.06969	4.9
142.07782	1.8
143.08588	6.2
145.06471	6.1
145.10124	5.5
147.04419	6.5
147.08005	3.0
147.11664	2.3
149.02301	7.0
149.06004	1.6
149.09593	1.4
149.86198	1.1
151.03882	4.3
152.06287	1.3
153.06911	2.5
154.07724	1.4
155.03445	1.2
155.05980	1.4
155.08583	4.2
157.06494	4.2
157.10107	3.0
159.04387	3.7
159.08073	3.5
159.11694	2.9
161.02339	3.7
161.05974	4.7
161.09627	2.8
163.03867	5.4
163.07512	1.3
165.01823	2.9
165.05498	1.4
165.06941	2.0
166.07803	1.5
167.03354	1.1
167.08524	3.1
169.10107	3.2
171.04387	1.6
171.08054	2.9
171.11722	2.4
173.02362	1.9
173.05952	5.7
175.03906	8.6
177.05473	4.2
179.03433	1.2
179.08537	1.9
181.10110	2.0
183.08014	1.9
183.11646	1.2
185.05998	2.6
185.09604	1.8
185.13271	1.9
187.03908	2.3
187.07474	1.4
187.11179	1.6
189.05493	9.9
191.03401	1.6
195.08087	1.8
195.11670	2.0
197.04434	1.4
197.09631	1.1
197.13332	1.2
199.07515	1.6
199.11186	3.1
201.05473	3.1
201.09164	1.5
203.06958	1.5
203.10548	1.4
205.04918	2.5
205.12253	1.4
207.02798	1.5
207.06432	1.4
209.09535	1.5
213.05470	1.8
213.12781	3.5
215.10689	2.0
217.04980	4.6
217.12228	1.3
219.06413	1.7
221.04446	13.1
223.11163	3.7
225.09047	4.2
225.12653	2.3
227.06950	1.1
227.10582	4.1
231.10204	1.9
231.13750	1.3
233.11705	10.4
235.05998	3.4
239.10583	1.3
241.12238	5.6
243.10168	2.2
243.13626	1.3
245.11751	2.3
251.10645	4.6
255.10254	2.5
259.13297	4.5
261.11157	1.8
269.11685	10.9
271.13379	1.6
277.10703	6.7
277.14069	1.1
279.10056	3.1
287.12787	12.4
289.10703	1.2
297.11151	8.9
303.12228	2.3
305.07962	1.2
305.13788	9.7
315.12231	24.8
319.09613	1.6
333.13293	100.0
334.13629	2.2
351.14334	3.1
351.21164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01873	10.0
55.05501	12.3
57.03434	1.9
64.53209	1.3
65.03922	2.8
67.05489	9.3
68.99767	1.7
69.03429	4.3
69.07086	3.3
69.86095	1.5
70.59769	5.4
79.05486	16.4
81.03412	7.0
81.07037	12.3
83.01344	1.9
83.04953	2.0
83.08625	4.2
85.02890	2.2
89.03866	1.4
91.05470	16.8
93.03368	2.5
93.07043	7.9
95.01289	2.2
95.04958	4.9
95.08595	6.7
97.02934	1.5
97.10166	2.8
103.05442	3.9
105.03397	4.6
105.07017	10.6
107.04950	7.8
107.08569	3.9
109.02876	3.7
109.06540	2.5
109.10141	2.7
115.05469	5.4
117.03371	2.0
117.06989	9.0
119.04937	5.3
119.08559	6.2
120.08096	1.6
121.02836	3.8
121.06515	3.4
121.10149	3.2
123.04383	3.6
125.02345	2.6
128.06213	5.4
128.16516	1.5
129.07007	6.2
131.04950	4.6
131.08566	6.9
133.06508	3.6
133.10127	4.4
135.04424	6.5
137.05981	2.2
139.03922	3.2
141.07028	2.6
141.78387	1.4
143.08530	3.4
145.02841	6.6
145.06487	6.8
145.10141	3.6
147.04399	7.8
147.08049	2.3
147.11684	2.0
149.02339	5.4
149.05968	2.5
151.03918	2.7
153.06978	1.9
155.08546	1.9
157.06505	3.2
157.10159	2.9
159.04425	3.7
159.08099	2.0
159.11682	3.1
161.02304	2.1
161.05972	3.2
161.09642	4.1
163.03925	5.0
165.01823	3.5
167.08676	2.1
169.06558	2.8
169.10100	3.4
171.08044	2.7
171.11678	1.5
173.06004	6.6
173.09660	2.3
175.03940	7.7
175.07487	1.8
177.05478	10.7
181.04984	2.2
183.08067	3.0
185.06006	2.5
185.09581	2.3
187.03954	2.3
187.07593	2.1
187.11154	1.6
189.05499	7.5
189.09041	1.7
190.53360	1.2
195.11723	2.8
197.09676	2.4
199.07567	3.0
201.05460	2.6
201.09274	1.7
203.03278	2.1
203.10519	1.8
209.09654	1.7
213.12756	2.0
215.10675	3.0
217.04897	3.9
221.04462	12.9
223.11179	2.1
225.09090	2.7
227.10670	2.0
233.09726	1.6
233.11719	9.3
235.06055	2.0
239.10593	2.3
241.12262	6.5
243.10127	3.7
244.22592	1.8
245.23006	3.2
251.10686	5.2
255.10211	2.4
259.13324	3.6
269.11749	9.1
276.07806	1.9
277.10791	5.0
279.10172	2.4
281.60275	1.7
287.12811	14.8
290.09586	2.2
297.11084	8.4
303.12186	2.6
305.13748	7.9
315.12173	26.9
319.09628	5.3
333.13281	100.0
334.13657	2.6
351.14502	2.3
351.29276	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	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76799	1.2
53.03936	3.1
55.01874	7.8
55.05506	8.8
56.99355	1.2
57.03427	2.5
65.03922	4.0
67.05501	11.0
68.60299	1.2
69.03415	2.7
69.07060	3.6
70.12059	1.9
70.12463	4.2
79.05490	16.7
81.03416	6.3
81.07054	12.1
83.01322	1.5
83.04953	2.3
83.08614	2.7
85.02891	2.5
91.05477	17.8
93.07058	8.8
95.01328	1.9
95.04948	6.8
95.08591	5.4
97.02870	1.6
97.06523	1.5
97.10150	2.9
103.05449	4.0
105.03383	2.5
105.07021	10.3
107.04939	6.5
107.08558	4.4
109.02864	3.8
109.06503	1.9
111.04472	1.3
115.05460	2.5
117.07012	9.2
119.04916	4.9
119.08573	6.7
121.02843	3.7
121.06487	3.5
121.10123	4.0
123.04395	2.6
123.42846	1.3
125.02303	1.8
128.06233	3.4
129.07019	7.4
131.04898	4.4
131.08562	6.3
133.02869	2.1
133.06474	4.2
133.10143	2.6
135.04401	5.3
135.07986	2.0
141.07007	4.1
142.07819	1.5
143.08537	4.6
144.05698	1.4
145.06485	9.2
145.10159	3.6
147.04402	7.8
147.08026	2.5
147.11722	2.3
149.02348	6.8
149.05994	2.4
149.09561	1.4
151.03870	3.8
153.06967	2.1
155.08557	2.5
157.06442	2.7
157.10172	2.7
159.04428	3.2
159.08058	1.6
159.11725	3.1
161.06041	6.5
161.07170	1.4
161.09601	2.3
163.03902	5.0
163.07649	1.5
163.11191	1.9
165.01830	4.0
165.05537	2.6
165.07005	1.5
167.08568	1.7
169.06432	2.0
169.10132	3.0
171.04388	1.9
171.08044	1.7
173.05978	3.5
173.09674	1.8
175.03908	9.3
175.11154	2.4
177.05466	3.2
179.03403	1.9
181.10034	1.6
183.08026	1.9
185.05957	2.0
185.09605	3.3
187.03879	3.6
187.11169	3.9
189.05469	7.9
189.09048	1.8
191.06960	1.7
191.36436	1.4
197.09515	2.1
199.03886	1.8
201.09132	1.7
202.07631	1.9
205.04970	2.8
207.06555	1.8
209.04385	1.8
213.12747	4.8
215.10626	2.8
216.33807	1.6
217.04912	4.5
221.04431	11.4
223.11147	2.7
227.10623	3.2
231.10152	1.8
231.13875	1.5
233.11734	10.0
235.05995	2.7
241.12250	5.9
243.10155	2.4
245.08238	1.8
248.08293	1.4
251.10742	2.1
255.10158	1.7
259.13239	5.3
261.11212	3.3
269.11722	11.0
276.07709	2.5
277.10709	4.7
279.10074	1.9
287.12811	11.8
297.08243	1.8
297.11124	8.9
303.12317	2.7
304.07367	2.0
305.13873	8.7
315.12213	19.8
319.09567	8.2
333.13306	100.0
334.13623	2.2
351.14368	2.7
359.18143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	90.8
56.96289	5.4
56.96562	62.0
58.04086	5.5
69.00889	7.3
70.50574	7.8
70.50957	7.6
70.98112	3.0
72.04507	22.1
74.02426	12.4
74.06080	47.2
76.05126	39.3
80.38897	3.5
84.04487	12.5
84.08109	4.4
84.96031	7.2
85.02901	7.5
86.03556	7.4
97.99196	5.1
98.02377	3.2
98.03546	3.3
98.97578	26.8
99.04289	5.0
100.03979	4.9
101.02355	9.6
102.03066	4.6
102.05548	25.7
109.99141	10.9
110.97552	9.1
111.04368	3.6
112.01469	7.1
112.03990	4.1
114.03014	7.2
114.43845	3.2
115.03828	3.5
116.00256	7.4
116.98603	15.5
118.04980	16.9
119.01930	9.3
120.06583	28.5
121.01670	5.9
124.05053	4.2
125.00258	4.4
127.03764	6.8
128.00215	22.4
128.03452	7.4
128.04521	7.7
128.98621	19.8
131.00195	5.0
131.01913	6.2
133.03452	3.7
134.99661	7.4
140.04460	6.0
142.02483	9.1
143.00134	18.1
143.01305	14.6
143.03239	41.3
144.02975	4.1
144.04047	12.0
145.01738	6.9
145.02785	49.7
146.01233	44.4
146.99669	20.9
152.04504	5.8
157.01692	3.6
157.03479	6.4
158.99707	3.8
160.03549	7.7
160.07170	20.1
161.01172	11.0
161.02472	5.0
163.02731	4.4
163.03867	21.1
164.02315	7.8
165.00690	3.5
170.05617	5.2
171.00908	4.2
173.01256	4.3
173.02925	5.2
174.99146	28.3
177.00664	7.8
177.05438	6.0
177.09839	46.7
185.05562	8.3
186.05066	9.8
187.04428	4.4
189.01855	56.2
191.02242	8.8
193.00203	48.6
196.03578	8.8
198.05185	4.1
199.05920	3.8
201.00705	7.6
207.02921	100.0
209.03305	3.5
211.01256	4.0
214.04575	8.4
215.05385	9.3
216.06065	4.0
217.00253	4.2
219.01772	6.7
225.03860	5.5
231.02905	62.6
232.05605	15.4
232.22948	3.3
233.03429	4.8
237.02803	7.1
243.03081	7.6
244.05748	4.0
249.04118	21.8
251.04440	19.4
251.15817	3.7
261.03973	10.9
269.05420	64.0
269.08725	19.0
270.07202	3.7
271.10336	9.4
273.08597	4.8
279.09375	6.0
287.06534	14.4
288.63788	3.6
307.08624	5.6
315.09393	38.6
316.07721	24.8
333.10361	49.4
351.06366	59.3
351.11334	12.8
369.07010	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65863	1.7
56.05024	4.1
58.67601	1.6
69.88558	9.6
74.06062	2.7
76.05119	3.0
102.05497	2.3
137.76605	1.8
145.02827	7.0
146.01193	3.9
163.03938	2.3
177.09871	2.8
182.57823	1.9
189.01855	6.8
207.02934	10.4
208.97256	4.2
216.43027	2.0
227.73492	1.7
231.02892	10.4
249.03995	2.7
333.10358	2.4
351.06891	100.0
351.11374	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	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.6
56.96533	1.2
69.07042	1.2
69.54571	8.9
70.06576	1.3
72.08148	1.9
79.05486	1.3
84.08140	1.7
85.02892	1.6
85.10291	1.2
86.02704	1.1
86.29938	1.2
91.05458	1.3
98.21475	2.4
103.05453	1.8
105.07031	6.5
120.08083	6.9
147.04457	3.1
166.08620	3.1
177.05437	1.5
177.79520	1.1
178.91322	1.2
185.04263	1.2
189.05215	3.1
219.06143	1.2
223.10779	1.8
242.04453	1.2
269.84503	1.1
285.25793	1.1
351.10489	100.0
352.10788	2.7
355.15253	1.2
358.62479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01858	5.1
55.05511	15.9
56.05067	2.5
56.96573	2.4
57.01464	2.0
57.03431	4.1
58.06603	20.5
60.04508	9.1
65.03916	2.7
67.05510	34.0
68.05029	16.4
69.03420	3.4
69.07061	20.4
69.46645	19.6
70.06573	3.6
71.04992	15.8
74.28378	2.5
79.05489	27.4
80.05836	5.1
81.03426	4.9
81.07059	32.4
82.06577	8.7
82.07362	3.9
83.04965	4.9
83.08643	3.5
84.08124	16.7
85.06550	3.3
86.09700	8.1
91.05465	21.8
92.05813	5.6
93.07052	32.4
94.06550	3.0
94.07355	3.2
95.04955	7.6
95.08600	17.0
96.08128	100.0
97.06543	11.9
97.08902	5.0
97.10162	2.3
98.09679	3.9
100.07619	5.3
105.07027	18.2
106.06623	2.4
106.07372	5.5
107.04913	5.3
107.08602	14.0
108.08143	2.3
108.08901	3.1
109.06501	6.1
109.10141	8.0
112.07603	56.2
117.07006	8.1
119.08605	12.3
120.08900	4.7
121.06482	2.4
121.10149	8.7
123.08033	5.3
124.07606	11.9
128.10707	10.2
129.07021	3.5
130.91263	2.3
131.08553	15.1
132.08907	3.2
133.10155	14.8
134.09554	2.5
135.08041	5.5
135.11674	8.3
137.05835	2.8
138.09138	21.8
143.08487	3.2
145.10139	12.7
146.10451	3.0
147.08066	2.7
147.11690	7.9
148.12019	3.0
149.09602	3.7
149.13254	4.9
156.03552	2.4
157.10136	4.2
159.11720	11.5
160.12044	2.7
161.09554	2.9
161.13252	2.7
163.11134	4.1
171.11664	2.9
174.13538	3.2
177.12752	2.1
185.13123	2.6
187.11171	2.5
187.92737	2.4
195.13707	2.6
244.09637	2.9
258.19363	5.6
259.20468	2.4
272.19992	2.8
273.18533	15.5
276.20242	6.9
290.21225	15.0
291.19522	9.3
308.22229	8.3
318.70465	2.3
332.22137	6.2
350.20065	90.1
350.23422	68.7
351.21127	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	350.2686
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.77496	4.9
55.05516	39.8
56.05014	6.7
58.02954	7.1
58.09826	4.6
65.69949	4.6
67.05495	29.3
69.07065	37.4
70.06570	15.6
71.08631	50.9
71.58421	8.9
79.05500	27.6
79.60841	5.5
80.60334	4.7
81.07052	49.1
82.06561	12.0
83.08611	23.0
84.08133	14.8
86.06046	5.6
88.10764	8.4
88.11271	100.0
91.05465	14.6
93.07043	30.2
94.06552	19.8
95.08605	31.9
96.08115	7.3
97.10143	8.8
101.40399	6.1
105.07026	18.2
107.08580	19.8
108.08115	6.2
109.10139	11.0
110.09636	5.2
114.09180	8.7
119.08556	13.9
121.10140	13.9
123.11745	5.6
133.10170	8.5
147.11664	6.8
152.10690	8.8
156.13837	7.8
164.14409	4.8
190.68388	5.0
204.61998	5.4
212.16435	17.8
214.26599	4.7
241.22943	5.0
252.19614	11.7
280.19278	5.9
292.22342	11.7
332.25809	6.1
350.26999	52.2
350.34073	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01873	1.9
55.05504	7.9
58.12056	1.6
65.41859	1.7
67.05497	8.4
69.07068	10.7
71.04971	3.6
75.18053	1.8
79.05489	9.1
81.07067	10.6
83.08619	6.6
91.05467	6.1
93.07032	8.3
95.08585	8.4
97.06513	3.3
98.53922	1.7
101.70661	2.2
105.07021	7.9
107.08608	9.6
109.06509	12.9
109.10152	6.4
109.14589	2.0
119.08562	6.0
120.46328	1.8
121.06465	2.4
121.10123	4.7
123.08060	61.6
124.34406	1.8
131.08597	2.7
133.10120	5.5
135.08038	5.1
135.11697	4.4
145.10086	2.8
147.11674	3.1
149.09663	3.0
159.11697	2.3
173.13301	2.0
179.14339	3.2
206.47827	1.8
275.20023	6.1
293.21146	20.5
331.26343	3.9
349.24203	4.3
349.27380	100.0
350.27725	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03929	0.7
55.01870	1.3
55.05514	7.8
57.03434	0.8
57.07058	2.6
67.04572	0.6
67.05508	8.1
69.07068	13.6
71.04968	1.1
71.08608	1.2
73.06560	0.9
73.10231	0.7
77.03956	0.5
77.29172	0.6
79.05489	5.5
79.12312	0.5
81.07057	12.0
83.04974	1.3
83.08625	4.3
84.62627	0.6
85.06545	1.5
91.05476	3.2
93.07044	7.7
95.08609	10.0
97.06523	2.6
97.10174	1.7
98.21626	1.1
99.08115	1.0
105.07013	4.5
107.08591	6.9
109.06510	13.9
109.10159	5.3
111.08082	2.0
117.07045	0.9
119.08575	5.6
121.06532	0.9
121.10162	6.3
122.07278	0.8
123.08069	79.0
123.11711	2.2
124.08414	1.7
125.09602	0.7
131.08582	1.5
133.10144	4.6
135.08054	6.2
135.11665	2.0
137.09618	3.9
137.13255	0.8
145.10114	1.6
147.11722	2.8
149.09616	2.2
149.13242	2.8
151.11168	1.2
155.90305	0.6
159.11696	2.3
161.13200	1.3
163.11122	1.1
165.12743	1.1
173.13251	1.4
177.12799	0.9
179.14319	17.6
197.13269	0.6
229.38974	0.8
231.15726	0.8
233.18962	1.3
242.00868	0.6
266.15134	0.7
275.20078	3.4
289.25314	1.2
293.21094	21.4
307.22586	0.9
331.26376	4.8
349.27374	100.0
350.27719	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05506	2.2
57.03424	0.6
57.07071	4.4
67.05489	4.3
69.07061	2.8
71.04995	0.6
71.08625	2.2
79.05486	3.1
81.07050	5.7
83.04942	0.9
83.08578	0.9
85.06545	3.0
86.04362	0.4
91.05482	2.2
93.07026	3.3
95.04948	1.1
95.08606	6.0
97.06506	0.8
99.08061	1.5
105.07034	3.2
107.08586	3.1
109.06505	18.1
109.10141	2.1
111.08070	0.8
119.08573	2.7
121.10128	2.4
122.07281	1.8
123.08057	23.3
123.11681	0.9
125.09629	0.6
129.06990	0.5
131.08568	1.5
133.10126	1.9
135.08009	3.0
135.11694	0.9
137.09569	0.7
137.13329	0.5
145.10112	1.3
147.11690	0.8
149.09630	0.8
149.13225	0.6
157.10161	0.8
159.11653	0.6
165.12752	1.2
167.14377	0.5
171.11644	0.5
173.13196	0.5
179.14297	100.0
180.14658	2.3
183.11655	0.4
193.15854	3.0
229.26945	0.5
275.20111	0.8
331.26263	2.4
349.27356	66.3
350.27786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.05506	19.3
57.07080	6.1
62.39352	3.0
63.62894	3.0
65.03927	5.7
67.05171	4.1
67.05498	41.7
68.19309	3.5
69.03411	5.0
69.07069	22.8
69.30899	6.8
69.31304	29.5
71.04966	3.3
78.32784	3.6
79.05493	35.7
80.80248	3.1
81.07056	52.3
83.08604	4.1
88.70234	3.3
91.05479	55.4
93.07039	65.9
94.40863	3.1
95.04967	34.8
95.08601	50.9
97.06509	14.7
99.66540	3.9
103.05408	3.8
105.07026	100.0
107.08591	58.3
108.56162	2.9
109.06503	13.8
109.10155	42.3
115.05457	3.9
116.06228	6.1
117.07017	20.5
119.08575	90.7
121.06504	9.1
121.10133	88.0
123.08055	10.7
123.11712	17.8
128.06194	8.4
129.06992	13.1
130.07776	5.1
131.08580	50.2
133.06361	3.7
133.10133	46.7
135.08037	10.9
135.11664	16.2
141.06947	7.6
142.07780	20.0
143.08551	35.0
144.09303	3.9
145.10112	62.8
146.07251	5.0
147.11658	21.4
149.09607	10.1
149.13242	6.0
155.08556	16.1
156.09370	15.7
156.79262	3.1
157.10130	50.1
159.08011	4.9
159.11678	31.9
161.09630	22.3
161.13223	9.8
166.07869	4.9
167.08545	5.6
169.10188	22.7
170.10864	7.0
171.11688	23.6
173.13284	19.7
175.14777	9.2
179.08574	12.3
179.14342	6.0
181.10063	13.3
181.50085	3.2
182.10841	6.4
183.11743	18.9
184.12512	3.9
185.09641	4.3
185.13278	20.5
187.11057	4.6
187.14793	18.7
193.10094	5.8
194.10822	9.5
195.11697	18.0
197.13303	14.1
199.11243	5.9
199.14816	10.8
207.11693	6.0
208.12492	3.9
209.13266	23.5
211.14745	9.7
213.16234	4.3
215.14536	3.6
223.14861	7.7
225.16441	7.3
227.14285	10.1
234.14017	3.8
235.15091	4.1
237.16408	6.4
239.17953	4.0
251.17937	5.6
253.19531	3.8
257.18835	3.2
275.20303	5.2
291.69400	3.4
293.19116	7.9
321.25842	4.0
331.23734	4.0
349.25211	60.0
350.25784	3.7
351.77356	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.4
53.74282	3.3
54.71563	3.5
55.01865	7.9
55.05511	20.9
55.67416	3.3
57.03439	8.3
57.07074	6.9
64.37929	3.8
67.05511	50.6
69.03431	5.3
69.07060	34.9
71.04984	10.8
71.58324	5.2
73.01722	3.3
75.79271	3.4
79.05495	48.1
81.07059	59.3
83.04960	6.3
83.08620	12.3
86.90749	3.5
91.04956	7.1
91.05480	63.1
93.07043	81.6
95.04975	26.3
95.08604	40.7
97.06528	19.9
100.29816	3.5
105.07026	100.0
107.04916	5.2
107.08590	66.6
109.06480	23.0
109.10140	31.5
111.08100	4.1
112.99953	3.7
113.55092	3.5
115.05430	5.4
116.06210	3.7
116.77177	3.4
117.07011	19.7
119.08583	72.7
121.06479	8.8
121.10147	73.9
123.08063	14.5
123.11687	8.6
125.09692	4.1
128.06227	6.7
129.07008	13.2
130.07822	4.9
131.08571	43.7
133.10121	54.6
134.87921	3.1
135.08057	15.4
135.11699	23.6
137.09639	4.6
141.06953	5.5
142.07796	15.7
143.08559	29.8
145.10129	54.7
147.08067	6.9
147.11656	22.8
149.09625	14.7
149.13220	5.2
153.06992	3.8
155.08559	14.7
156.09328	8.4
157.10109	39.7
158.10945	4.3
159.11691	27.7
161.09634	17.8
161.13275	13.0
163.11107	5.8
167.08536	5.9
169.10143	12.2
170.10925	3.8
171.11678	17.8
172.12123	3.8
173.13252	20.2
175.14841	7.8
179.08623	5.8
179.14342	9.4
181.10106	8.8
183.11720	11.7
185.13292	11.5
187.14754	17.1
194.10962	10.2
195.11678	11.1
197.13266	11.4
199.14824	8.9
207.11702	4.8
209.13188	17.9
211.14848	10.9
221.13208	5.3
223.14925	7.9
227.14328	9.3
237.16313	3.9
239.18037	5.1
241.15854	4.5
251.18007	5.7
257.18927	4.5
275.20206	22.9
331.23941	5.0
349.24768	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.3
55.01868	19.1
55.05511	40.5
57.03429	33.6
67.05505	60.8
68.96803	2.9
69.03423	3.6
69.07068	46.3
69.20624	2.7
69.48695	23.2
71.05001	3.9
71.30716	2.4
71.92332	2.6
74.33170	3.0
78.61246	2.7
79.05492	100.0
81.03398	3.8
81.07051	58.2
83.04977	13.4
83.08608	14.2
85.06545	6.7
91.05472	91.8
93.07044	70.2
95.01341	4.0
95.04952	19.7
95.08607	34.6
97.06517	20.6
97.10174	15.5
101.73193	3.0
105.06298	4.4
105.07021	94.6
107.04958	26.4
107.08591	95.1
107.09303	5.7
109.06516	12.2
109.10149	18.6
113.54727	2.6
113.64020	2.8
117.07026	26.2
118.74404	3.3
119.08583	43.8
121.06531	6.6
121.10124	24.3
123.08085	7.0
125.09605	18.3
128.06274	3.8
129.07001	11.1
131.08568	38.2
133.10124	46.8
135.08043	6.6
135.11699	9.5
137.09596	3.3
139.11128	2.8
141.06993	6.0
143.08598	15.1
144.09306	4.0
145.10121	63.9
147.11699	29.9
149.09607	31.3
149.13297	4.9
155.08536	4.4
157.10106	10.5
159.11682	30.5
161.09636	3.4
161.13272	11.7
163.11188	9.8
169.10097	4.6
171.11656	9.9
173.13266	14.3
175.14819	3.6
177.12819	3.8
179.14261	5.4
183.11697	6.9
185.13295	9.1
187.11223	5.0
189.11307	7.6
193.70224	3.4
197.13356	7.2
203.14282	2.8
219.17447	6.2
229.19519	6.4
239.17995	13.8
257.18982	48.6
275.20038	69.0
319.96997	3.1
331.22589	6.0
349.19748	6.4
349.23712	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	20.2
55.01868	22.0
55.05505	27.4
57.03443	23.1
57.07052	2.7
57.56025	2.4
65.03929	5.2
67.05502	84.2
68.36056	2.5
69.03422	5.2
69.07062	67.5
70.13373	13.1
71.04979	4.1
71.97478	2.9
79.05487	68.0
81.03412	28.2
81.06586	5.6
81.07055	100.0
83.04960	11.0
83.08617	15.0
85.06528	4.2
91.05475	74.4
93.07037	78.9
95.01322	23.2
95.04959	32.5
95.07992	3.5
95.08594	63.6
97.06530	24.4
97.10158	5.0
103.05409	5.6
105.07022	95.5
107.04945	47.6
107.08577	34.3
109.06498	13.7
109.10143	15.9
111.08092	5.2
117.07008	32.7
119.08574	54.1
121.06487	7.4
121.10135	19.3
123.04457	5.9
123.08060	10.8
123.11725	2.6
129.06953	7.1
131.08560	45.5
133.06570	3.0
133.10130	57.6
135.08067	5.5
135.11700	15.9
137.09619	5.6
143.08562	8.8
145.06468	6.2
145.10094	28.5
147.11659	22.6
149.09619	16.3
149.13223	13.4
151.11119	4.8
154.57574	3.3
155.08598	3.3
157.10133	7.3
159.11697	31.1
161.13255	7.2
163.11194	6.0
169.10103	7.3
171.11667	6.2
173.13258	7.9
176.62970	2.6
177.12767	8.3
179.14308	25.2
183.11697	3.6
185.13193	3.0
187.11215	8.0
187.14880	3.3
197.13194	4.8
205.12244	4.5
211.14726	2.8
214.62009	2.5
219.17368	4.4
227.94354	2.9
229.19519	4.6
239.17943	3.7
247.20459	4.3
257.18958	12.3
275.20016	66.3
276.20236	4.4
328.53394	2.8
349.19888	6.0
349.23663	24.6
349.27988	4.4
350.24045	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.5
53.88277	2.4
55.01874	22.9
55.05509	47.0
57.03436	21.4
59.98170	2.5
60.43910	2.9
61.12014	2.9
65.02911	2.6
65.03929	8.9
65.65148	3.1
67.05503	83.1
69.03439	3.3
69.07066	52.3
69.25031	2.9
69.85174	19.0
71.04977	5.2
77.60567	2.5
77.98325	2.7
79.05489	100.0
81.03413	20.7
81.07053	73.2
83.04974	26.4
83.08596	16.4
85.06564	4.4
86.52847	2.7
88.14826	3.1
89.21290	3.0
91.05479	73.7
93.07040	70.1
95.01319	13.7
95.04951	21.5
95.08600	44.3
97.06520	23.8
97.10159	9.3
105.07029	77.4
107.04948	44.4
107.08584	49.1
109.06525	11.2
109.10154	21.4
111.08086	6.6
113.35613	2.6
117.07021	20.4
119.08576	58.1
119.09370	5.3
121.06503	7.2
121.10141	23.3
123.08058	7.4
123.11707	5.2
125.09634	11.9
129.07025	5.6
131.00018	2.8
131.08559	31.2
133.10118	51.9
135.08063	7.1
135.11697	12.1
137.09702	3.5
143.08524	4.8
145.06508	5.5
145.10110	22.9
147.11668	28.8
149.09618	33.8
149.13205	4.1
151.11038	3.8
154.99995	3.3
159.11707	26.5
161.13257	7.2
163.11165	5.1
171.11760	3.8
173.13289	4.5
174.99002	4.1
177.12752	10.8
179.14322	20.4
183.11713	3.6
187.11209	8.9
189.00542	4.3
189.11208	4.6
197.13217	4.8
233.15347	4.0
237.29396	3.2
256.67844	3.2
257.18985	9.1
259.30609	3.5
265.83725	3.0
275.20035	54.2
276.20316	5.0
324.82465	3.5
349.13266	15.4
349.16849	5.5
349.23715	29.8
350.23236	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81230	2.2
53.03942	18.8
55.01862	15.6
55.05268	2.4
55.05515	27.0
56.33735	2.3
56.80862	2.5
57.03440	21.7
65.03942	3.1
67.05502	74.6
69.07063	60.0
69.85915	16.6
71.04991	4.4
79.05492	60.1
81.03413	37.3
81.07053	93.1
83.04971	13.2
83.08613	11.5
85.06532	5.8
89.47697	2.8
91.05478	82.5
93.07040	62.7
95.01325	26.8
95.04961	28.0
95.08602	53.2
97.06527	24.5
105.07021	100.0
106.50160	2.5
107.04959	47.2
107.08582	23.3
109.06509	10.4
109.10159	15.5
111.08092	4.4
115.05414	4.1
117.07017	23.2
119.08573	53.3
119.09370	4.8
121.06499	7.4
121.10120	11.5
123.04430	3.6
123.08051	10.6
129.07016	3.9
131.08560	35.9
133.10123	60.2
135.08072	6.8
135.11674	14.1
137.09595	3.9
141.06989	5.3
143.08556	5.8
145.06494	5.3
145.10112	23.8
147.11684	21.6
149.09596	10.6
149.13255	9.2
151.11159	4.6
155.08603	3.4
157.10130	5.0
159.11652	21.4
161.09688	3.6
161.13290	5.9
163.11166	7.4
165.09071	2.9
169.10120	4.1
171.11699	4.7
173.13287	7.3
174.19124	2.8
177.12729	9.3
179.14273	26.4
179.30731	2.7
183.11913	2.2
187.11188	8.2
195.13939	2.6
197.13284	3.9
215.70862	2.8
216.97670	2.3
239.17978	3.5
247.20570	4.8
257.18997	9.1
275.20044	51.6
276.20361	3.9
298.18173	2.4
349.23676	23.4
349.33987	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57614	1.1
51.02372	1.4
53.03936	3.3
55.01878	7.1
55.05268	1.4
55.05507	19.6
56.96555	5.0
57.03433	20.5
57.07066	4.1
57.49166	1.0
57.80414	1.0
60.36766	1.0
65.03936	2.4
67.05503	37.9
69.03404	1.9
69.06681	1.2
69.07063	26.0
69.91070	2.0
69.91488	4.7
71.04978	2.3
79.05489	30.0
81.07054	46.9
83.04964	8.1
83.08619	5.5
85.06545	1.9
91.05478	32.8
93.07040	45.7
95.04972	13.8
95.08607	27.3
97.06513	6.0
97.10180	3.3
105.07026	34.9
107.04946	13.9
107.08588	25.1
109.06514	15.6
109.10156	10.8
111.08048	2.6
117.07021	12.1
119.08578	22.3
121.06495	15.7
121.10154	14.5
123.08050	7.0
123.11694	3.8
128.06190	1.9
129.06998	4.6
131.08553	24.4
133.06491	3.5
133.10126	20.5
135.08081	5.9
135.11682	7.7
137.06004	1.3
137.09589	3.5
139.39812	1.1
141.06955	1.4
143.08565	5.1
145.06490	2.7
145.10117	19.8
147.08052	4.9
147.11676	15.7
149.09615	8.2
149.13260	5.2
151.11189	6.9
155.08560	2.4
157.10121	4.7
159.08037	3.7
159.11664	10.4
161.09616	4.8
161.13271	4.2
163.11186	7.2
171.11743	3.1
173.09616	4.5
173.13193	8.3
175.11191	4.4
175.14807	1.3
177.12740	4.4
179.14195	1.3
183.11694	3.7
185.13243	1.7
187.11172	2.2
187.14740	2.1
189.12674	1.8
191.14314	3.5
197.13283	1.2
199.14804	1.4
201.12732	4.4
207.13814	3.9
213.16429	1.6
215.18188	2.4
217.07454	1.3
219.13808	4.4
229.19475	2.2
239.17880	5.9
247.20595	4.1
257.19012	15.9
269.10562	3.4
275.20056	100.0
276.20438	4.8
285.10071	1.5
287.11548	1.5
293.21143	5.2
349.16968	3.3
349.23709	23.0
350.24008	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44993	1.1
53.03960	6.0
55.01870	7.6
55.05508	17.1
56.96566	2.0
57.03440	10.1
57.07069	1.5
65.03940	2.3
67.05501	37.9
69.03427	2.4
69.07069	15.6
70.18607	5.6
71.04995	3.1
79.05490	53.2
80.05835	1.2
81.03413	4.3
81.07052	100.0
81.26400	1.2
82.07399	1.4
83.04969	6.0
83.08612	9.4
84.04513	1.6
85.06532	2.8
91.05476	32.5
92.05820	1.2
93.07034	32.8
95.01337	2.6
95.04967	9.4
95.08605	22.2
97.06522	10.0
97.10172	2.0
98.21401	1.6
98.59668	1.1
99.08077	2.1
103.05456	1.7
105.07029	31.8
106.31332	1.1
107.04948	12.2
107.08589	22.0
107.98241	1.1
109.05788	2.6
109.06511	34.2
109.10153	11.2
110.06788	1.2
111.08083	2.8
115.05433	1.7
117.07018	10.7
119.08572	24.9
121.06500	3.6
121.10126	9.5
123.08052	3.7
123.11682	2.5
125.09634	2.3
129.05472	1.3
129.07021	2.9
131.08562	13.7
133.10120	20.1
135.08083	4.0
135.11664	6.7
137.09657	2.4
141.07002	1.7
143.08611	4.5
144.84195	1.1
145.06554	1.6
145.10130	12.7
147.11699	12.0
149.09610	9.2
149.13261	5.6
151.11176	2.2
157.10155	3.1
159.11699	11.2
161.09589	1.8
161.13295	3.2
163.11159	4.3
163.14868	3.0
165.12796	2.8
169.10159	1.7
171.11729	2.6
173.13264	4.0
175.11244	2.7
177.12782	2.7
179.14375	3.6
183.11649	1.7
187.11250	1.7
187.14839	1.7
191.14185	1.4
193.12170	1.8
197.13249	3.0
201.16385	1.5
205.12106	1.9
215.17888	1.3
219.53003	1.1
229.19516	3.9
233.15450	1.3
239.17941	2.8
247.20576	7.0
250.16673	1.6
257.19009	7.7
275.20062	32.9
276.20468	2.8
293.21347	2.0
323.61536	1.4
349.16693	1.7
349.19907	2.8
349.23654	19.5
349.27612	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01865	2.8
55.05505	10.4
57.03439	7.9
57.07070	0.8
67.05498	18.3
69.07060	9.6
69.13622	0.8
69.32539	2.2
69.32941	6.3
70.88709	0.8
75.56575	0.7
79.05489	20.5
81.03395	1.9
81.07052	20.9
83.04962	3.1
83.08618	2.6
85.06546	2.2
91.05471	20.8
93.07036	17.7
95.04960	3.7
95.08605	11.2
97.06547	4.0
97.10157	1.3
103.05434	0.9
105.07028	20.3
107.04919	3.0
107.08578	12.6
109.06522	5.4
109.10142	5.9
117.07021	5.7
119.08574	15.1
121.06489	2.3
121.10156	7.0
123.08038	1.6
123.11721	2.3
125.09618	1.8
129.06978	2.5
131.08572	9.7
133.10110	13.6
135.08051	2.3
135.11710	2.9
137.09610	2.1
143.08549	1.8
145.10135	8.4
147.11644	8.3
149.09592	5.1
151.11142	1.5
155.08498	1.6
157.10124	3.4
159.11679	5.6
161.09631	0.9
161.13258	3.5
163.11169	1.8
169.10106	1.2
171.11674	2.0
173.13306	4.8
175.11208	0.9
175.14824	1.1
177.12691	1.2
183.11679	1.2
185.13306	1.2
187.11189	1.0
197.13211	2.2
203.96941	0.9
207.96677	0.8
229.19527	1.6
239.17976	2.3
247.20566	1.9
251.12564	21.2
252.13164	0.9
257.18973	6.6
269.12311	3.5
275.20029	18.9
349.19846	100.0
349.23633	9.1
350.20105	8.8
374.84653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03938	16.4
54.27021	2.3
55.01871	24.6
55.05508	26.1
57.03428	19.1
57.62399	2.2
64.65871	2.0
65.03944	5.5
67.05500	83.3
68.42717	2.3
69.03427	5.4
69.07067	63.4
70.21062	9.9
71.04992	3.9
71.94131	2.1
79.05489	66.8
81.03412	33.3
81.07052	93.5
83.04971	15.0
83.08617	9.5
85.06535	4.7
91.05479	77.3
92.05813	3.0
93.07040	63.2
95.01318	23.9
95.04959	26.2
95.08601	59.7
97.06520	31.8
97.10168	3.9
97.83794	2.0
99.61443	2.1
103.05473	4.2
105.07024	100.0
106.07352	3.2
107.04948	45.2
107.08576	29.1
109.06519	7.3
109.10153	9.9
111.04408	2.6
111.08081	5.2
113.05959	2.7
117.07014	23.7
119.08571	58.9
121.06517	8.5
121.10131	14.3
123.04420	3.9
123.08067	11.6
123.11729	3.1
125.09605	4.9
129.07043	4.4
131.08546	30.6
132.08913	2.6
133.10120	56.3
135.08026	6.7
135.11696	16.8
141.06996	6.9
143.08591	5.3
145.06465	6.1
145.10123	31.7
147.11671	23.6
149.09610	11.2
149.13235	9.0
151.11177	4.3
157.10161	5.8
159.08139	2.0
159.11688	25.2
161.13284	7.3
163.11211	5.9
163.14769	2.1
165.09097	4.1
169.10097	4.8
171.11711	4.2
173.13289	6.1
175.11182	3.3
177.12737	8.7
179.14299	30.8
187.11197	7.7
187.14799	2.1
197.13339	3.9
201.16498	2.3
205.12193	3.0
229.19537	2.7
233.15558	3.0
247.20575	3.4
257.19028	5.6
275.20038	59.2
286.58652	2.5
349.20053	2.5
349.23770	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39917	1.1
53.03937	1.6
54.41560	1.1
55.01875	6.5
55.05510	17.5
55.18760	1.1
57.03432	18.7
57.07063	4.4
65.03936	2.1
67.05500	38.2
69.03428	3.1
69.07067	22.9
69.36909	1.3
69.39752	12.7
69.98103	1.5
71.00619	1.3
71.04986	2.6
79.05489	35.8
81.07050	42.2
83.04972	9.7
83.08642	7.6
85.06538	1.7
91.05476	33.9
93.07037	41.5
95.04945	14.4
95.08603	25.8
97.06522	4.0
97.10152	3.6
103.05427	1.5
105.07024	38.7
107.04962	13.9
107.08594	25.3
109.06529	16.5
109.10151	10.5
111.08050	2.9
115.05481	2.7
117.07015	10.4
119.08575	19.6
121.06494	14.2
121.10137	13.8
123.08077	5.9
123.11701	1.8
125.09622	3.3
128.06233	2.0
129.06990	4.9
131.08553	25.0
133.06487	4.1
133.10126	21.7
135.08020	7.3
135.11681	5.9
137.09627	3.5
141.06990	1.6
143.08559	5.1
145.06442	1.8
145.10106	19.9
147.08057	4.8
147.11647	16.0
149.09619	9.2
149.13213	3.0
151.11197	5.8
155.08524	3.2
157.10110	4.9
159.08110	2.9
159.11694	12.3
161.09543	3.8
161.13315	3.6
163.11171	10.0
165.12750	1.3
169.10123	2.0
171.11641	3.9
173.09627	3.1
173.13272	9.9
175.11145	3.0
177.12781	2.6
179.14447	2.1
183.11644	3.2
187.11165	3.1
187.14818	2.4
191.14362	3.9
197.13223	2.8
201.12791	4.2
205.19595	1.9
207.13774	4.9
215.14203	1.6
215.17906	3.3
219.13802	6.1
229.19566	5.3
231.17264	1.7
233.15317	1.7
239.17966	5.9
247.20584	5.1
257.18985	17.9
273.26880	1.2
275.20047	100.0
276.20346	6.5
288.25058	1.3
291.69714	1.3
293.21152	5.1
349.19925	1.8
349.23697	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01876	24.4
55.05511	46.1
57.03434	26.8
65.03935	3.9
65.25335	3.5
67.05132	4.7
67.05498	76.5
69.03448	3.7
69.07063	53.0
69.31410	40.7
70.60489	3.5
79.05488	98.9
81.03411	10.0
81.07053	67.5
83.04960	12.6
83.08608	17.6
85.06490	3.6
91.05475	85.4
93.07036	76.7
95.04955	22.9
95.08591	47.4
97.06532	32.8
97.10163	11.0
98.21550	8.3
105.07026	100.0
107.04945	33.8
107.08592	86.4
109.06512	15.1
109.10137	16.9
111.08055	5.6
117.07032	33.4
119.08576	54.8
121.06496	10.4
121.10141	23.5
123.08070	8.8
125.09643	15.2
129.07010	11.2
131.08571	38.4
133.10100	43.6
135.08020	4.1
135.11664	18.9
141.06996	4.7
142.48607	3.5
143.08566	12.4
145.10103	66.5
147.08057	7.8
147.11693	35.3
149.09605	35.0
149.13257	10.4
151.11125	4.7
157.10178	10.2
159.08076	4.7
159.11690	36.0
161.09636	4.7
161.13260	11.9
163.11172	15.5
169.10178	5.5
171.11707	15.3
173.11896	4.7
173.13248	18.5
175.11185	4.8
177.12775	7.4
179.14284	9.6
183.11685	6.2
185.13199	4.0
187.11124	5.5
189.11229	10.3
197.13312	8.0
213.16473	4.1
229.19475	6.4
239.17987	15.3
247.20580	12.4
257.19016	41.4
275.20044	96.5
293.21094	4.2
331.15323	3.5
349.19778	51.0
349.23813	74.0
350.20041	3.8
350.24179	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01865	10.2
55.05513	28.9
55.32081	1.9
57.03440	21.0
57.07079	4.7
58.25789	2.3
61.45411	2.4
62.06376	2.1
65.03906	3.2
67.05501	46.9
69.03419	3.4
69.07066	25.9
69.94247	12.6
71.04985	4.8
79.05058	4.4
79.05487	53.4
81.03417	3.6
81.07057	71.5
81.60903	2.0
83.04984	9.3
83.08626	10.1
85.06545	3.2
85.14973	2.2
89.29035	2.2
91.05479	44.9
92.91190	2.6
93.07050	48.3
95.04961	12.9
95.08601	30.9
97.06546	8.5
97.10201	5.4
98.21492	2.9
105.07027	45.0
105.07685	3.2
107.04932	14.0
107.08591	42.7
108.08941	2.7
108.31440	1.9
109.06505	20.5
109.10161	13.2
111.08160	2.3
117.07025	17.8
119.08575	33.1
121.06508	18.0
121.10153	12.8
123.08083	9.5
125.09618	3.4
128.06253	2.3
129.06981	4.5
131.08563	31.1
133.06520	4.4
133.10127	28.8
135.08023	5.3
135.11700	8.9
137.09625	3.0
141.06927	2.3
143.08572	8.3
145.06511	2.5
145.10150	31.2
147.08037	5.0
147.11697	22.7
149.09607	10.8
149.13292	6.4
150.90529	2.5
151.11201	8.0
155.08601	2.5
157.10161	10.7
159.08118	3.3
159.11684	17.4
161.09636	2.6
161.13271	8.0
163.11166	11.6
163.14871	2.5
169.10159	4.0
171.11716	9.1
173.09641	5.5
173.13260	9.5
175.11201	6.7
175.14728	2.6
177.12698	2.6
183.11757	5.5
185.13339	3.9
187.14722	3.3
197.13239	6.0
201.12677	2.4
207.13786	4.7
215.17966	2.9
219.13802	4.4
219.17473	2.6
233.18938	2.4
239.17926	8.3
247.20491	3.2
251.12497	2.6
257.19006	25.6
269.12338	10.6
270.12601	2.3
275.20059	100.0
276.20450	8.7
293.21060	5.8
327.77466	2.3
349.19818	76.1
349.23785	32.6
349.28500	4.1
350.20166	4.9
350.24078	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01864	6.1
55.05518	14.8
56.96566	20.8
57.03435	18.6
57.07079	3.0
65.03933	2.8
67.05505	36.7
69.03427	2.9
69.07069	25.1
69.76868	3.4
69.77271	9.8
71.05006	2.2
77.49361	1.5
79.05060	2.9
79.05493	33.8
81.07051	42.5
82.21411	1.7
83.04970	11.9
83.08607	4.6
85.06544	2.4
86.48955	1.4
88.95445	1.8
91.05476	27.5
93.07047	35.0
95.04963	11.9
95.08606	26.5
97.06532	6.6
97.10171	3.2
98.21487	3.4
105.07027	34.0
107.04953	11.6
107.08597	25.6
109.06519	14.1
109.10136	9.1
111.08076	3.1
117.07049	12.1
119.08583	20.9
121.06513	15.5
121.10132	13.1
123.08085	7.8
123.11691	2.5
125.09645	3.4
129.06987	3.8
131.08578	24.4
133.06496	4.7
133.10110	20.3
135.08060	7.4
135.11707	7.2
137.09608	3.7
141.06932	2.6
143.08530	2.9
145.06479	2.5
145.10118	17.7
146.99632	3.7
147.08040	3.9
147.11690	17.6
149.09612	6.8
149.13268	4.8
151.11166	5.3
155.08585	2.5
157.10104	3.7
159.08067	2.9
159.11696	11.6
161.09633	5.0
161.13268	3.1
163.11192	8.5
168.03304	1.6
169.10202	2.4
171.03346	3.1
171.11723	4.5
173.09607	5.0
173.13257	7.8
175.11177	5.3
175.14798	1.9
177.12781	3.9
179.14307	3.1
181.60051	1.7
183.11734	4.3
189.12889	2.6
191.14339	4.0
201.12729	4.2
203.05977	5.1
205.19675	1.9
207.13808	4.5
213.07971	2.3
215.17906	3.3
217.07475	5.7
219.13785	2.8
225.07933	2.1
229.19551	5.2
231.06931	2.0
231.09044	4.9
239.09596	2.8
239.18002	7.0
245.10587	2.1
247.20584	5.8
249.08203	2.0
251.09506	2.3
255.09082	6.7
257.19003	16.3
267.09012	9.1
269.10657	12.0
273.10199	4.8
275.20062	100.0
276.20419	5.3
285.10193	13.0
287.11685	4.4
293.21103	5.3
303.11060	3.1
322.55411	1.9
331.15753	2.8
349.17065	10.4
349.23694	25.0
349.27505	2.8
367.17862	5.6
370.96591	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	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01867	4.7
55.05505	11.8
56.36418	0.8
57.03437	5.5
57.07064	0.9
57.68218	0.8
65.03922	1.5
67.05499	19.1
68.56664	0.9
69.07065	8.6
69.86240	0.8
69.98023	2.5
69.98438	2.8
71.04958	1.4
72.32932	0.7
79.05489	27.1
81.03392	2.0
81.07050	17.8
83.04971	5.4
83.08609	3.1
85.06543	1.2
86.63514	1.0
90.05082	0.9
91.05473	18.8
93.06471	1.4
93.07037	19.1
95.04951	4.2
95.08598	12.0
97.06509	3.0
97.10156	3.9
105.07023	20.0
105.07687	1.6
107.04941	5.5
107.08585	16.8
109.06493	3.5
109.10137	6.4
111.08070	1.1
112.66113	0.9
117.06991	5.7
119.08574	12.1
121.06479	1.7
121.10130	6.3
123.08028	1.7
123.11691	1.1
125.09592	2.8
129.07024	1.6
131.08569	7.3
133.10118	10.4
135.08038	1.4
135.11681	3.8
137.09666	1.1
138.10422	0.8
141.06897	0.9
143.08542	2.0
145.10110	8.4
147.11673	7.5
149.09610	7.6
149.13298	1.2
155.08456	0.8
157.10112	1.6
159.11696	4.3
161.13254	3.3
163.11153	1.4
169.10109	1.6
171.11758	2.0
173.11826	1.1
173.13266	3.8
177.12793	1.1
179.14372	1.0
185.13216	1.2
187.11240	1.0
187.14833	0.9
189.11229	1.0
197.13243	1.2
219.13789	0.8
229.19609	2.5
239.17920	2.2
247.20607	2.8
251.12585	20.9
257.18948	5.4
269.12408	3.0
270.69528	0.9
275.20035	15.7
279.12158	1.1
293.89395	1.0
313.58249	0.8
349.19843	100.0
349.23611	8.6
350.20193	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	348.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23833	0.9
52.05322	1.0
52.49751	0.9
55.05508	9.1
58.18245	1.0
60.51478	1.1
67.05512	6.2
69.07066	40.9
69.34372	3.6
69.34794	7.8
70.06575	2.1
79.05476	1.3
81.07052	5.8
83.08616	3.2
84.08129	9.7
86.09702	67.8
91.05478	1.3
93.07036	1.8
95.08594	4.1
104.82655	1.2
105.07020	1.3
107.08579	1.5
109.10139	1.8
112.07602	39.9
119.08590	2.1
124.06649	1.1
137.13177	1.1
140.10704	3.3
154.12286	7.3
168.13860	4.7
179.14247	1.3
182.15404	3.1
196.16978	2.4
210.18515	1.6
238.21683	1.4
252.23157	1.9
266.24844	1.4
348.32596	100.0
349.27390	1.9
349.32919	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25286	1.1
56.45859	1.4
57.03424	2.9
58.99572	2.5
60.04498	1.2
69.03403	1.2
70.06587	2.3
71.01879	3.3
73.90722	1.3
76.02229	2.0
79.05499	3.1
81.07048	16.8
83.04974	1.3
84.04505	13.7
84.08095	1.6
85.02915	2.0
86.00642	1.2
86.09699	2.4
86.99047	2.4
87.02700	10.8
93.06975	1.1
94.35589	1.2
95.04978	1.5
99.08082	2.4
105.00095	2.8
109.02853	1.5
111.03895	1.1
112.93912	1.2
122.02705	9.7
130.05020	2.2
132.01135	2.5
141.52861	1.4
147.04405	2.5
151.03882	3.8
159.04808	2.3
185.04218	3.7
187.03699	4.1
195.02858	1.3
202.08954	15.4
203.07370	5.5
220.10028	2.2
247.04456	1.2
265.05478	2.8
303.04907	1.9
307.06592	1.6
331.08948	1.5
331.12769	2.3
349.08939	100.0
349.13202	4.4
367.08536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03937	1.0
53.66663	0.7
55.05508	5.6
56.05013	2.5
57.03411	1.8
60.04522	100.0
62.06085	1.5
67.05502	12.5
68.05013	1.3
69.03403	1.9
69.07053	3.0
70.06577	3.4
71.04992	1.5
71.57734	1.2
72.04513	2.2
72.08135	1.3
74.06069	1.9
79.05487	9.7
80.01009	0.8
80.05019	1.0
81.03412	2.2
81.07051	12.9
82.06555	2.2
83.04962	1.7
83.08595	3.6
84.04491	2.3
84.08128	1.9
85.02868	2.2
85.06520	1.0
86.06038	0.8
86.09690	1.4
90.05542	2.1
91.05473	8.4
93.07040	9.0
94.06548	2.2
95.04971	1.1
95.08595	8.5
96.08102	1.8
97.02847	0.9
97.06521	1.4
99.08084	1.1
100.11234	1.1
101.09639	1.0
103.03931	1.0
105.01855	0.9
105.07012	5.5
107.04936	1.0
107.08608	4.5
107.71001	0.7
109.02914	1.4
109.06512	1.1
109.10117	3.2
111.04420	0.9
111.08097	0.9
111.97669	0.7
116.07091	1.0
117.07007	2.2
119.08553	3.0
120.08083	1.3
121.06522	1.6
121.10110	3.6
123.04423	0.9
123.08137	1.4
123.11627	1.0
129.06998	1.4
130.04936	0.9
130.08620	0.8
131.08524	4.1
133.10112	4.0
135.11678	2.7
136.06177	34.9
143.08571	1.4
145.10123	1.8
147.11658	1.4
149.13229	1.3
151.03897	1.9
159.11678	2.0
161.05977	0.9
161.13258	1.8
171.11560	1.0
173.13165	0.8
182.15359	1.3
191.08022	1.1
199.14713	0.8
210.14923	1.0
219.78841	0.9
229.19623	0.7
241.19612	1.1
259.20389	1.0
276.23236	3.6
289.11752	1.0
294.24258	6.1
306.14395	2.3
310.76770	0.8
312.25320	10.5
330.26355	28.7
331.26794	1.1
348.08051	1.5
348.20355	20.3
348.27356	30.3
349.20511	1.9
349.27744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47135	9.0
55.01863	19.9
55.05508	49.6
56.96562	12.8
57.03416	29.6
58.20813	9.7
58.89611	9.1
66.46107	10.6
67.05502	100.0
69.03416	9.6
69.07048	33.1
70.23025	9.6
70.23323	49.2
71.05006	10.5
71.63036	8.4
79.05484	74.7
81.07037	85.7
83.04961	15.4
83.08590	21.5
91.05473	76.5
93.07030	53.0
95.04942	10.7
95.08604	41.5
97.06514	22.7
97.10145	21.9
105.07021	66.6
107.04988	16.0
107.08583	62.2
109.10159	64.0
117.07011	16.1
119.08562	43.2
121.10153	16.9
129.06989	13.9
131.08592	25.7
133.10135	34.8
135.11639	14.6
143.08549	18.7
145.09090	10.6
145.10075	51.9
147.11705	25.7
149.09586	24.2
155.10728	12.7
159.11676	35.3
161.13264	14.9
163.11160	13.7
173.11748	95.7
189.11253	20.9
257.19040	34.5
275.20023	42.5
277.21628	15.4
307.08310	8.9
348.25378	25.7
349.19781	37.2
349.23679	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42759	0.7
55.05507	4.8
56.05024	1.7
57.41445	0.6
57.74328	0.6
58.49001	0.7
60.04523	31.6
67.05500	5.2
68.05024	15.7
69.07065	1.8
70.06590	1.2
70.46288	3.0
72.04520	1.1
72.08154	0.9
79.05486	5.1
80.05013	25.9
81.04520	3.5
81.07059	4.7
81.07449	0.7
82.05304	1.7
82.06580	2.2
83.06095	4.5
83.08607	0.9
84.04511	1.4
85.02884	1.1
91.05473	4.3
92.05016	1.1
93.05768	1.1
93.07030	3.0
94.06564	18.8
95.06084	100.0
95.08567	3.9
96.04482	0.8
96.06425	0.8
97.10171	1.2
101.26940	0.7
103.05485	0.7
105.07031	3.6
106.06535	3.8
106.95808	0.8
107.05006	0.9
107.06102	0.8
107.08560	3.4
108.08118	1.1
109.10168	1.6
110.05990	1.4
112.08790	0.7
118.06534	2.1
119.08575	1.2
120.08060	3.3
121.06490	1.1
121.10135	1.7
125.09639	1.0
129.07008	1.4
130.06538	2.0
131.08594	1.9
132.08130	3.7
133.07590	1.2
133.10112	1.3
134.08371	1.2
134.09659	1.3
135.11679	1.7
136.06174	6.6
136.81927	0.9
144.08037	1.1
145.10138	0.8
157.07645	1.2
157.10158	1.8
158.09621	0.9
159.07954	0.7
159.11691	1.2
160.08734	1.3
160.11230	0.8
162.10265	9.2
172.08757	1.2
172.11084	1.2
173.11940	0.8
174.10266	39.9
174.12553	5.0
176.11864	1.0
176.14352	3.2
186.12750	8.4
188.11880	2.4
192.13797	3.3
204.13857	3.0
210.14893	2.5
214.15883	1.2
222.14781	2.3
242.15240	0.9
258.19699	1.4
260.16443	3.8
268.15134	1.6
268.18066	32.8
269.18378	0.9
276.23083	0.9
284.17575	1.7
286.19101	41.0
287.19586	1.2
294.24292	1.2
302.18497	3.6
304.20175	91.1
305.20569	2.3
312.25391	2.6
330.26349	10.3
348.19223	17.8
348.27316	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	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11382	1.5
54.33082	1.9
55.01872	3.5
56.05032	5.3
56.96564	23.2
57.03424	3.4
60.04517	5.6
61.02932	3.1
67.05482	4.6
68.05050	1.9
69.03421	7.5
70.02744	9.8
70.06581	7.4
72.08153	4.3
73.02920	2.3
74.06091	5.9
81.03407	3.5
83.06109	2.0
84.04497	10.6
84.08146	10.6
84.96008	3.4
85.02900	20.4
86.09698	25.2
87.04467	2.0
87.05611	2.7
87.10037	2.6
91.05478	2.3
94.06564	8.3
95.04974	3.1
97.02897	9.5
97.06588	2.1
98.06035	2.1
98.20810	2.7
98.97550	11.0
98.98473	3.0
102.05517	3.7
103.97568	1.7
106.05034	2.8
109.02876	2.5
110.07151	3.0
116.98625	10.3
122.06021	83.2
123.04401	4.4
126.05517	5.2
127.03912	6.1
128.98619	5.1
129.10202	2.5
129.11974	1.9
130.04993	2.0
134.99629	6.8
136.06177	94.8
138.05489	7.4
139.03934	3.1
144.06525	3.3
146.99666	9.3
147.04398	2.4
148.03934	3.5
149.01231	2.6
149.04285	2.8
150.04483	2.8
150.05499	69.4
151.06262	2.9
152.05705	2.5
152.07060	2.9
153.06577	2.2
160.02786	2.1
161.01180	4.1
162.99222	2.2
164.99519	2.7
165.00743	5.6
166.04984	9.0
167.05359	3.9
167.06949	2.7
168.06573	100.0
173.01303	2.0
173.12831	2.9
174.13411	2.2
174.99213	2.9
176.08310	3.3
177.00722	6.8
184.06032	7.4
185.06395	2.2
186.05066	2.0
186.07692	36.5
187.14423	3.9
189.08739	4.8
190.98676	3.0
193.00157	11.1
199.07281	2.2
201.00728	2.4
205.00220	3.8
214.06065	4.4
217.08258	3.0
219.01804	7.0
223.01340	5.0
235.09247	2.5
237.02817	12.7
255.03925	2.1
284.11459	2.2
303.07471	5.9
303.10770	3.1
321.08530	6.7
348.07001	5.9
348.12683	14.3
348.16428	2.0
349.07983	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	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11382	1.5
54.33082	1.9
55.01872	3.5
56.05032	5.3
56.96564	23.2
57.03424	3.4
60.04517	5.6
61.02932	3.1
67.05482	4.6
68.05050	1.9
69.03421	7.5
70.02744	9.8
70.06581	7.4
72.08153	4.3
73.02920	2.3
74.06091	5.9
81.03407	3.5
83.06109	2.0
84.04497	10.6
84.08146	10.6
84.96008	3.4
85.02900	20.4
86.09698	25.2
87.04467	2.0
87.05611	2.7
87.10037	2.6
91.05478	2.3
94.06564	8.3
95.04974	3.1
97.02897	9.5
97.06588	2.1
98.06035	2.1
98.20810	2.7
98.97550	11.0
98.98473	3.0
102.05517	3.7
103.97568	1.7
106.05034	2.8
109.02876	2.5
110.07151	3.0
116.98625	10.3
122.06021	83.2
123.04401	4.4
126.05517	5.2
127.03912	6.1
128.98619	5.1
129.10202	2.5
129.11974	1.9
130.04993	2.0
134.99629	6.8
136.06177	94.8
138.05489	7.4
139.03934	3.1
144.06525	3.3
146.99666	9.3
147.04398	2.4
148.03934	3.5
149.01231	2.6
149.04285	2.8
150.04483	2.8
150.05499	69.4
151.06262	2.9
152.05705	2.5
152.07060	2.9
153.06577	2.2
160.02786	2.1
161.01180	4.1
162.99222	2.2
164.99519	2.7
165.00743	5.6
166.04984	9.0
167.05359	3.9
167.06949	2.7
168.06573	100.0
173.01303	2.0
173.12831	2.9
174.13411	2.2
174.99213	2.9
176.08310	3.3
177.00722	6.8
184.06032	7.4
185.06395	2.2
186.05066	2.0
186.07692	36.5
187.14423	3.9
189.08739	4.8
190.98676	3.0
193.00157	11.1
199.07281	2.2
201.00728	2.4
205.00220	3.8
214.06065	4.4
217.08258	3.0
219.01804	7.0
223.01340	5.0
235.09247	2.5
237.02817	12.7
255.03925	2.1
284.11459	2.2
303.07471	5.9
303.10770	3.1
321.08530	6.7
348.07001	5.9
348.12683	14.3
348.16428	2.0
349.07983	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07065	0.9
58.76197	0.8
63.92743	0.9
67.05497	1.6
67.39721	0.8
70.23307	3.7
70.93481	0.8
72.08143	0.9
72.38246	0.8
74.06050	1.2
84.05433	1.0
88.07632	3.9
89.07979	1.5
91.05475	0.9
93.07086	1.2
105.07024	1.2
135.08047	1.2
249.14735	1.5
265.14084	1.4
294.40497	1.1
299.31345	3.2
335.38333	0.8
347.21924	100.0
347.33411	11.6
348.22183	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	348.0707
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
50.69684	0.2
55.05507	0.2
56.05025	0.2
56.96558	0.7
57.03436	0.5
60.04512	0.7
61.35914	0.2
62.94043	0.2
67.05540	0.2
69.03435	1.9
69.71627	0.6
69.72046	0.9
70.06591	0.5
72.08141	0.7
72.81834	0.2
81.03399	0.3
84.04507	1.0
84.08144	0.7
84.72253	0.2
85.02905	6.5
86.09714	1.8
87.05623	0.3
88.03987	0.3
91.05483	0.3
93.07095	0.2
94.04037	0.4
95.04932	0.3
97.02887	2.2
98.97566	0.5
98.98470	2.7
101.07110	0.2
102.05526	0.2
106.05075	0.2
110.97638	0.3
115.03944	0.6
116.98657	0.5
116.99517	0.3
119.03513	0.9
119.31956	0.2
122.06016	0.5
123.04430	2.7
126.05540	0.4
127.03959	0.3
127.28870	0.2
129.10207	0.2
130.05005	0.4
134.99657	0.4
136.06189	100.0
136.99997	0.5
137.04582	1.6
137.06619	0.9
139.03912	0.5
144.01886	0.2
144.55533	0.2
146.99721	0.4
150.05499	0.7
151.03874	0.7
159.85718	0.2
161.01044	0.3
163.05144	0.2
164.99509	2.7
165.00757	0.4
166.06224	0.3
168.06606	0.7
169.04948	1.4
173.12914	0.3
187.07722	0.2
187.14432	0.4
189.00703	0.2
189.08774	0.4
213.01639	0.7
214.05989	0.2
215.13893	0.3
217.08365	0.4
218.66054	0.2
223.01357	0.3
235.09395	0.3
237.02937	0.3
268.10519	0.3
288.63696	0.2
330.06076	0.5
335.74231	0.2
348.07013	5.6
348.12717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1675
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
52.98572	0.4
64.66557	0.4
67.24792	0.4
69.03426	0.7
70.06585	0.4
81.07065	0.6
91.05508	0.6
98.21516	1.4
102.28323	0.5
120.08016	0.6
121.10160	0.5
124.83151	0.4
170.92403	0.5
177.10246	1.2
185.11520	1.3
221.09244	0.8
230.51160	0.5
258.05066	0.5
278.17606	0.8
329.11102	0.5
347.08145	3.4
347.16733	100.0
348.17078	3.6
369.34177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.43413	1.3
55.05507	2.3
57.07063	2.0
69.24015	16.4
79.05458	1.9
81.07047	1.7
83.08607	1.8
88.07597	1.4
93.07033	1.8
95.08583	2.8
113.05891	1.2
119.08613	1.7
125.56224	1.4
126.11068	1.5
136.08669	1.6
193.04927	1.9
271.92621	1.4
347.21921	100.0
347.33548	2.5
348.22177	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	347.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05513	12.4
56.96562	42.2
62.84451	6.2
65.50281	6.2
67.05496	12.7
69.03424	8.0
69.07077	6.6
70.33745	25.0
79.05460	14.6
81.07042	29.9
83.04990	6.4
83.08617	7.6
91.05471	28.9
93.07037	41.4
95.04957	10.3
95.08605	16.4
105.07056	27.7
107.08584	35.0
109.06500	15.5
109.10159	17.5
113.61438	7.1
117.07049	10.9
119.08573	24.2
121.06501	12.9
121.10143	18.5
123.08041	30.9
125.05972	7.6
131.08568	21.7
133.06470	8.7
133.10156	14.4
135.08075	10.3
137.09529	6.4
143.08586	8.7
145.10107	16.2
149.09625	19.8
151.07526	75.3
156.09372	7.1
159.11679	15.5
161.13281	9.4
165.09109	6.3
167.10716	18.9
171.11780	7.2
173.13245	8.1
185.13222	5.5
189.12770	21.5
199.06398	14.1
203.05934	8.9
207.13733	37.1
217.07501	18.7
219.08974	9.5
229.07501	57.4
237.14729	8.7
247.08516	67.3
252.09029	9.0
271.47913	5.4
307.12091	12.0
329.13940	7.2
329.17416	13.7
329.21173	11.6
347.15240	67.6
347.18295	100.0
347.22232	40.5
348.19031	10.2
365.16232	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1123
Annotation	5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03939	0.7
55.05508	0.5
62.76888	0.4
67.01897	0.4
67.05492	1.0
67.99448	0.4
68.99811	0.6
69.68750	0.8
69.69164	2.2
79.05494	2.9
81.07030	1.4
91.05483	2.6
93.07012	0.6
94.04169	0.7
95.04968	2.4
95.08588	0.9
105.03400	1.2
105.07014	0.6
105.20790	0.4
107.04943	7.2
107.08575	0.4
109.06515	4.0
111.04449	0.7
117.06985	0.5
119.04902	1.9
121.06479	1.2
121.10191	0.5
122.03635	1.2
123.04397	1.9
125.02367	0.4
125.05983	2.4
133.02881	2.0
135.04411	0.7
135.05504	0.8
137.05972	46.9
138.06323	0.5
139.03886	2.5
139.07446	0.4
140.04648	0.6
141.05431	0.6
147.04414	1.7
147.11659	0.4
151.04013	0.5
151.07542	0.7
153.05449	1.0
154.06227	1.6
161.05997	1.0
163.03868	1.3
164.04617	0.5
165.05470	100.0
166.05801	1.6
167.03378	3.0
167.07037	26.4
168.07465	0.4
177.05528	1.9
179.07002	3.8
180.07790	4.4
183.06488	0.8
193.04959	12.7
194.05331	0.4
199.07686	0.5
202.30530	0.4
223.79802	0.4
227.07127	0.9
232.20528	0.4
255.06540	0.4
259.09637	1.8
287.09204	1.4
297.07465	0.6
299.05463	0.6
319.11731	1.5
329.10229	2.0
347.11243	14.6
347.18259	1.2
347.31274	0.5
348.11670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63094	12.9
55.05498	66.4
56.05827	18.9
57.03434	22.1
59.12317	13.4
67.05491	98.8
68.05803	17.5
69.07074	77.9
69.77721	43.5
69.78159	55.2
71.04991	20.3
79.05492	49.6
81.07056	100.0
82.07395	22.5
83.08597	36.1
91.05463	47.1
93.07011	55.3
93.36315	16.1
95.08605	69.8
96.08909	30.3
97.06515	25.7
98.20751	25.1
105.07006	55.6
107.08591	32.2
109.06539	16.2
109.10141	52.5
110.10467	21.5
117.07028	16.7
119.08576	24.7
121.10105	22.2
128.91145	16.1
131.08516	19.9
133.10149	18.6
135.11722	19.3
139.55469	14.3
145.10150	33.0
147.11694	24.4
173.11713	48.5
178.35883	13.5
189.11195	20.3
207.79085	16.9
250.11960	17.5
275.20319	18.4
328.25739	17.9
346.27023	27.0
357.05139	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	346.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96872	1.0
55.05506	2.9
55.72111	1.1
58.99581	10.5
67.05494	4.6
69.03435	1.7
69.07059	3.8
70.06567	1.6
70.54206	1.9
70.54600	2.3
70.87711	1.1
71.04969	1.5
72.02269	1.1
74.06073	1.7
76.02222	22.4
76.19099	1.0
78.59145	0.9
78.89806	0.9
79.05483	3.2
81.07058	12.4
83.04978	4.8
85.06535	2.1
86.09714	5.6
86.99048	6.6
88.02175	1.3
88.04001	1.2
91.05483	2.7
93.07048	4.4
95.08601	19.8
105.00094	12.0
105.07021	10.4
107.08571	6.0
109.06519	3.4
109.10159	3.8
119.08566	10.5
121.06355	1.1
121.10149	6.6
122.02722	100.0
123.08071	9.6
125.05970	1.8
125.09628	4.3
130.06448	1.1
131.08562	1.8
133.10149	4.4
135.08052	1.7
135.11697	2.0
137.06012	1.3
137.09651	1.9
137.13246	13.0
139.07523	1.6
143.08484	1.6
147.08047	2.1
147.11667	3.3
149.09561	8.0
151.07570	8.5
151.11104	1.4
151.14833	1.7
156.09390	1.4
161.13240	13.4
163.11194	1.7
165.09138	1.3
165.12712	3.6
167.10654	8.1
171.11716	1.9
179.14320	9.2
187.14424	2.2
189.12708	10.3
207.13806	44.1
208.14174	1.4
215.13901	2.0
225.14844	3.0
226.09628	1.1
233.14943	1.5
233.50664	1.0
239.14737	1.4
302.18073	4.8
346.16809	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.4
60.45887	6.2
67.05495	26.8
69.03425	17.0
69.07060	27.1
70.06581	6.1
71.04991	6.7
71.29620	7.2
71.57085	7.7
72.08157	6.0
79.05489	24.9
81.03425	7.5
81.07069	100.0
83.08621	18.1
84.04460	6.0
85.06529	8.5
91.05484	23.1
93.07035	29.3
95.04932	11.7
95.08602	69.2
97.02905	7.4
99.08092	13.4
105.07016	14.2
107.08595	33.3
109.10162	54.9
111.08083	7.8
111.11713	9.0
119.08595	10.9
120.08105	6.7
121.10151	24.7
123.11720	43.5
135.11714	16.6
137.05980	16.7
137.13255	22.5
146.90179	7.2
147.11705	9.6
149.13239	24.5
163.14851	14.2
165.09088	8.3
177.05458	11.9
177.16336	10.8
191.06857	7.5
273.25729	11.3
291.26859	22.4
302.17612	11.8
345.06174	8.6
345.18768	10.1
346.17099	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
67.05496	4.1
69.03412	5.7
70.08493	6.7
70.08904	4.6
79.05494	4.8
81.03418	4.0
81.07059	4.0
83.04984	2.3
83.08569	1.8
83.97169	1.7
91.05470	5.5
94.04173	5.0
95.04923	2.7
97.02892	2.4
98.97614	2.4
103.05461	10.6
105.07037	8.1
109.06505	2.5
112.20245	2.2
117.07005	2.6
122.03638	8.8
123.04415	5.5
123.08096	2.0
128.06190	1.8
129.06996	3.0
131.04909	13.0
133.06499	13.6
133.10162	2.5
135.08083	6.7
136.06178	4.6
137.05969	100.0
138.06392	2.9
145.06473	2.9
151.07486	4.7
153.05475	4.8
157.06500	2.2
163.07523	28.4
167.07047	2.7
175.07520	2.8
187.07581	2.3
189.09132	4.9
203.10654	2.3
295.09763	2.5
328.17590	4.7
346.18845	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	345.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22361	0.7
55.01863	1.5
55.05495	4.1
56.05033	4.5
57.03428	1.0
67.05498	9.4
68.05011	2.8
69.03416	3.5
69.07056	3.9
70.02950	8.0
70.06573	3.6
71.04973	1.9
71.56275	1.2
72.08139	1.5
72.68338	0.9
73.02905	1.4
78.56154	0.8
79.05473	3.4
80.05005	2.2
81.03408	1.4
81.07053	12.8
82.02936	0.9
82.06586	2.8
83.04961	1.7
84.04484	3.2
84.08131	2.8
85.02905	1.3
85.06523	2.4
86.09698	3.0
87.05598	8.8
88.03974	2.8
90.60718	0.8
91.05468	5.1
93.07038	5.0
94.06567	1.8
95.04956	2.1
95.08579	3.9
96.04498	5.8
96.08100	1.4
97.02851	1.4
98.06034	1.9
98.97552	1.4
99.00850	1.4
99.04465	0.9
100.03925	1.1
105.07001	3.5
107.04923	1.6
107.08575	3.6
108.04482	7.4
109.06515	1.7
109.10141	4.5
119.08568	2.1
120.08105	0.9
121.10103	2.5
122.02731	1.1
122.06007	1.6
123.04398	1.1
123.11679	2.8
126.05517	1.8
131.08522	1.4
133.10112	3.6
134.99615	1.0
136.07491	1.2
137.02361	1.6
137.05981	4.2
149.09613	1.4
150.12802	5.4
151.03899	4.5
151.11186	6.2
155.91211	1.0
159.07959	1.4
160.11159	1.3
168.13837	15.9
174.45111	1.0
178.12253	4.8
180.13794	1.9
186.14891	13.0
187.10771	2.7
187.13257	3.1
192.13832	8.7
194.15411	8.2
196.13303	4.8
197.04318	0.9
198.14949	4.6
202.12251	2.9
207.13885	1.4
210.14943	1.0
212.16486	1.7
220.13329	42.0
221.13602	3.0
222.14908	1.5
224.12805	4.5
237.15984	2.7
238.11931	1.7
238.14374	34.4
242.13676	1.8
255.17036	7.5
256.15311	4.6
257.18640	1.4
282.17163	1.2
283.16409	1.0
284.14844	2.8
301.17563	100.0
302.17920	4.9
327.19183	1.6
345.05942	6.2
345.14539	1.0
345.20584	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82300	1.1
53.44624	1.0
55.01860	1.2
56.96555	2.4
57.03439	2.4
61.02923	2.5
69.03429	6.9
69.07027	1.2
70.06590	6.1
71.04987	2.2
71.37840	1.7
72.08160	11.3
81.03408	2.1
82.06565	2.0
84.04488	1.7
84.08137	3.9
85.02916	7.4
86.09711	14.1
92.04998	2.7
97.02872	3.9
109.07590	1.3
110.06027	1.4
119.06071	26.4
120.04471	5.4
122.06050	1.4
123.05556	1.6
127.03946	1.5
130.08618	1.2
133.06100	1.8
134.99600	1.5
137.05981	3.6
137.07097	6.0
146.99643	1.2
147.04465	1.8
147.05511	8.8
148.03940	4.1
148.06313	30.6
148.07498	1.9
149.07112	24.2
165.06599	100.0
166.07341	5.8
166.08635	1.9
170.02179	1.8
183.07652	56.5
185.16547	6.2
213.15884	2.2
238.12212	1.3
298.48053	1.3
299.13556	1.6
345.06506	4.1
345.12921	73.6
345.22263	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01865	0.9
55.05500	2.5
56.96539	0.6
57.03429	0.5
57.07059	0.5
67.05502	1.9
68.99802	1.3
69.03417	2.0
69.07083	1.2
70.06579	0.5
71.37557	0.6
79.05470	1.7
81.03400	0.6
81.07061	3.1
82.57745	0.5
83.04968	0.7
83.08601	0.9
91.05446	1.2
93.07025	1.5
95.04967	1.0
95.08607	2.1
97.02872	1.0
97.06506	0.6
98.97579	1.3
100.11240	1.5
105.07021	1.6
107.04955	1.2
107.08568	1.6
109.06509	0.6
109.10120	1.0
111.04445	2.4
115.05431	0.7
116.98625	0.9
119.04944	1.9
119.08563	1.2
121.10135	1.2
123.00738	0.7
123.04408	0.7
125.05981	0.7
131.04875	0.7
133.02809	0.8
133.10130	0.9
134.03664	0.6
135.04448	0.7
136.07507	0.6
137.05952	1.1
138.03171	0.6
139.03871	1.5
141.06569	0.5
145.09978	0.5
147.04454	1.2
148.05167	5.3
149.02354	1.0
149.05956	2.4
151.03889	1.7
151.07478	1.3
152.01059	1.5
153.05496	1.1
155.14383	0.6
156.13838	0.9
159.07956	0.6
163.03883	0.7
164.04700	1.1
165.05589	0.8
167.03401	12.2
167.07080	0.9
169.06444	1.5
171.04381	0.8
175.07048	0.5
177.01813	1.9
177.05463	1.0
178.06277	1.0
179.06972	0.6
182.17831	0.5
184.03732	3.3
185.06013	0.8
186.06772	1.7
191.06967	0.7
192.04199	1.8
193.04976	0.9
197.05988	1.8
198.06775	0.6
199.03908	1.2
200.04596	1.0
201.09015	1.1
202.38484	0.6
205.04999	2.9
213.05467	1.1
214.06169	2.5
217.04944	2.1
219.06607	0.9
223.06044	0.8
226.06204	1.8
227.03384	1.8
227.06886	0.9
231.06544	1.1
238.70146	0.6
239.03339	0.7
241.04913	5.1
241.08549	1.3
242.05725	17.7
243.06396	1.5
245.04442	2.3
253.04984	1.3
254.05598	1.0
255.02823	1.4
255.06560	1.6
256.07367	0.6
257.08075	10.0
259.06015	2.0
269.04425	1.5
269.07742	0.6
270.05170	10.9
270.07944	1.0
271.05896	0.8
281.04419	2.3
282.05179	0.7
283.02353	0.9
283.06027	1.0
284.06693	3.9
285.07544	25.6
286.08041	1.1
287.05374	3.0
289.10486	0.7
296.03128	0.7
298.04669	6.9
301.06949	2.5
311.05511	2.4
312.06168	1.6
313.07080	13.0
313.10590	1.0
314.07578	1.9
315.04962	2.4
317.10199	1.0
329.06564	4.3
330.07242	3.5
345.09665	100.0
346.09946	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61077	6.5
55.05513	8.4
57.03424	10.0
67.05489	27.1
69.07053	30.9
69.45290	36.8
69.45722	24.4
70.35973	7.4
71.04987	12.0
76.97481	5.9
78.26203	5.8
79.05473	25.1
81.03406	14.5
81.07069	38.1
83.04989	9.0
83.99860	7.4
91.05464	22.2
93.07034	24.0
95.04954	21.3
95.08589	14.9
97.06519	90.9
105.07012	23.2
107.08569	20.2
109.06548	7.5
115.07573	19.2
115.22217	6.8
116.10698	9.2
119.08564	14.6
121.10066	9.1
131.08539	14.1
133.10141	9.9
137.05910	7.0
146.03281	6.7
150.11252	6.9
153.02982	7.3
158.76018	7.2
159.11665	11.5
168.38486	7.0
172.11247	9.9
208.84496	7.8
214.15916	21.6
215.98869	6.7
256.12097	7.1
275.18878	9.3
344.08548	16.8
344.18744	11.0
344.25842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.4
69.87619	1.7
69.88041	3.2
71.95226	0.8
74.25396	0.8
98.20821	1.2
98.97585	6.4
104.73270	0.9
116.98613	9.4
117.99822	0.8
119.01889	4.6
134.99655	10.5
137.02950	2.2
142.03590	0.9
153.00789	3.4
177.00951	16.5
182.99973	1.8
200.02484	0.9
201.00912	4.9
219.02000	100.0
220.02138	7.5
221.02142	1.0
234.99986	4.8
235.66702	0.8
236.00203	1.1
242.03590	8.6
253.01215	2.8
255.01959	1.2
256.96634	9.3
257.96841	1.2
258.99982	7.2
259.96429	1.4
260.00211	2.1
260.96179	1.7
260.99695	1.2
261.03064	3.0
263.02997	1.0
272.94366	1.2
273.03027	1.2
274.97565	6.5
277.00980	11.5
278.01157	3.1
278.97388	1.0
279.00806	1.7
279.98193	1.3
280.96582	2.4
282.99985	12.1
284.00131	2.9
291.99619	1.2
292.98560	1.1
298.97665	31.4
299.97778	1.4
301.01031	26.6
301.04251	1.8
302.01102	4.3
303.00931	1.7
316.98880	1.1
319.02176	1.9
320.98447	1.8
321.99359	3.6
324.02731	1.2
328.44745	2.4
344.94690	1.3
356.96844	1.4
357.97025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.5
55.05502	22.9
57.03425	30.2
67.05507	64.1
69.07072	57.8
70.06599	14.7
70.69650	17.9
70.69977	19.9
71.04983	24.8
79.05067	9.9
79.05489	52.4
81.03423	19.5
81.07031	57.2
83.08566	9.3
86.20903	10.4
91.05472	38.4
93.07051	42.6
95.04980	38.6
95.08596	49.5
97.06541	61.5
99.08047	13.4
105.06352	9.5
105.07014	54.5
107.08601	27.5
109.06498	20.7
111.04359	9.3
115.07542	17.8
117.07014	29.8
119.08563	29.2
121.06541	14.0
121.10152	12.8
129.06992	10.7
131.08543	31.0
131.53041	10.9
133.10152	22.2
135.08069	18.1
135.11649	24.1
145.10143	17.5
159.11630	28.9
161.13326	11.1
193.93690	13.6
197.13281	10.0
214.15910	11.7
215.14345	30.5
276.34766	10.4
340.57236	11.2
344.12003	51.4
344.22226	13.9
344.25931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.222
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03933	0.6
55.01867	0.6
55.05494	1.3
56.05025	0.5
56.50784	0.4
57.03432	0.5
60.04510	0.8
65.03954	0.5
67.05507	2.9
68.05820	0.6
69.03410	0.8
69.07049	1.5
69.35048	4.7
70.06564	0.4
71.78182	0.4
79.05491	7.1
81.07053	5.7
82.07349	1.2
83.08591	0.6
85.02849	0.5
85.06552	0.6
91.05476	5.8
92.05813	0.4
93.07027	5.3
93.11881	0.5
94.06567	0.5
95.04997	2.2
95.07362	0.6
95.08599	3.6
96.05296	0.9
97.06516	0.8
99.04478	0.5
103.05459	12.0
105.07021	3.7
106.07352	0.5
107.04955	6.2
107.08575	3.7
107.65270	0.5
108.08110	17.3
109.06499	1.6
109.08923	1.2
110.06873	0.9
110.09676	1.9
111.08043	0.6
119.08577	1.3
120.08099	3.4
121.10152	0.8
122.02769	0.5
122.09669	10.4
122.10493	0.5
123.04426	1.3
123.10435	2.3
127.07561	0.8
129.06996	1.5
130.06503	4.2
131.04909	6.1
131.08565	0.8
132.08055	2.0
133.06482	0.5
133.10146	0.9
134.09633	0.9
135.11674	2.2
136.11200	4.4
137.06001	3.3
138.06639	0.7
145.10147	0.8
146.10417	1.2
149.06021	0.7
150.12769	25.1
151.13562	6.8
152.14348	4.3
152.59172	0.5
153.05458	0.8
154.05780	0.7
157.06508	0.5
158.85429	0.5
160.12074	0.7
164.11562	0.9
164.14369	0.7
165.07115	0.5
166.08641	0.9
166.12202	0.8
170.09584	0.7
172.13396	0.7
175.07532	1.2
180.10159	5.8
187.11285	0.7
188.11542	1.6
189.09164	1.0
192.10989	1.0
200.14296	2.2
202.08473	0.6
204.10245	0.5
206.12640	1.0
209.14076	0.6
210.12045	1.3
213.05470	0.5
216.10945	0.7
219.36324	0.5
226.15871	1.1
228.10164	1.5
232.13327	0.6
234.11914	0.6
246.14835	1.8
252.13116	1.4
252.15714	0.7
254.19038	2.6
256.13193	1.0
258.15088	0.5
270.14801	2.9
294.25259	0.5
298.18112	1.1
300.19559	100.0
301.19821	3.6
302.21133	4.6
329.06433	1.0
344.22171	56.2
345.09641	3.3
345.22565	2.3
350.23126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2217
Annotation	Polysignine
Peak:m/z	Relative Intensity
50.51578	0.4
53.03935	0.6
55.05474	1.3
57.03413	0.4
59.14260	0.5
67.05479	1.3
67.32565	0.5
69.07030	0.9
70.21122	2.1
70.21474	0.7
79.05489	5.6
80.04990	0.8
81.07047	2.2
82.06560	0.6
83.08575	0.7
91.05474	4.0
93.07055	3.3
94.06532	0.9
95.04950	0.8
95.08556	1.8
95.16941	0.4
96.08964	0.4
97.06430	0.4
103.04803	0.7
103.05462	11.3
105.07019	4.0
107.04317	0.5
107.04957	5.6
107.08595	2.1
108.08116	14.5
109.08858	1.6
109.10108	0.9
110.09633	1.7
114.68702	0.4
119.08549	1.1
120.08098	4.2
121.06483	0.5
122.09661	10.6
123.10411	2.0
130.06534	3.5
131.04935	5.2
132.08083	2.5
133.10101	0.9
134.09607	1.2
135.11644	2.3
136.11200	4.5
137.13229	0.8
150.12770	23.4
151.13571	6.6
152.14319	4.4
153.12753	0.5
161.13287	0.4
164.14325	0.9
166.08627	0.7
166.12170	0.5
176.07031	0.5
180.10168	4.9
182.90282	0.4
198.12672	0.6
200.14337	1.9
209.14095	0.6
226.15884	1.0
228.10196	1.4
246.11267	1.2
246.14833	1.5
254.19006	3.4
256.13174	0.7
258.14990	0.5
270.14795	2.7
298.18018	1.3
300.19565	100.0
301.19907	5.1
302.21118	3.3
338.85852	0.5
344.22186	49.8
345.22482	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14619	1.4
55.05501	2.7
58.99592	10.2
67.05504	4.5
69.03419	1.7
69.07056	3.5
70.04315	5.7
70.06580	4.0
71.04987	6.3
72.08154	4.5
72.14111	1.4
74.06116	1.3
76.02223	20.9
79.05499	4.2
81.03403	1.7
81.07052	5.0
83.04979	8.3
84.04488	1.5
86.00642	2.1
86.09699	13.3
86.99045	7.3
91.05504	6.9
93.07057	6.7
95.04971	1.4
95.08615	4.6
98.06044	1.6
99.04449	1.9
105.00086	11.7
105.06994	7.5
107.04946	2.1
107.08593	8.3
109.06526	2.9
109.10155	3.8
117.07039	3.7
119.08583	10.1
121.02824	2.1
121.06503	11.3
121.10138	4.7
122.02721	91.3
123.08068	3.9
129.06984	2.4
131.08580	6.2
132.01155	6.0
135.08037	11.5
135.11711	4.0
137.06009	2.2
137.09616	9.5
144.09334	5.6
145.10115	5.3
147.08081	3.4
149.05981	5.3
149.09665	2.5
149.13304	3.4
151.03984	2.1
151.07568	5.2
153.09074	4.0
159.08075	1.9
159.11696	21.1
160.11995	1.9
161.09604	2.4
163.11174	13.5
165.09103	100.0
166.09476	2.6
172.08833	9.2
177.09198	3.8
177.12740	72.0
178.13115	3.5
179.10672	1.6
181.08629	1.6
181.12221	11.5
185.16518	2.2
187.11151	19.8
205.12224	30.8
223.13277	32.2
237.09464	2.1
301.17612	2.5
326.06534	1.6
326.14307	2.9
344.07800	1.6
344.15280	3.1
345.06442	1.5
358.46735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32705	0.9
61.02900	2.4
69.03403	3.7
70.35663	1.6
70.36054	1.6
71.24041	0.9
81.03443	1.1
85.02895	14.8
90.48075	0.9
91.05468	8.2
97.02869	2.8
104.27480	0.8
109.02859	1.1
115.34000	1.0
117.95938	0.8
119.04937	24.0
123.04365	2.1
127.03866	2.3
136.72273	1.0
141.53845	1.0
141.65271	0.8
145.04895	3.1
146.79750	0.8
147.04391	100.0
148.04753	1.3
156.78165	0.9
165.05461	41.1
180.08731	1.1
259.39398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
55.05514	3.3
57.03440	2.3
57.49401	1.7
58.99582	7.4
60.04515	6.6
67.05500	6.9
69.03416	5.9
69.07068	8.9
69.43829	1.7
70.02942	6.5
70.06587	9.3
70.81973	4.1
70.82345	3.7
72.08157	3.4
72.69536	1.6
73.02929	1.9
76.02232	5.6
79.05479	4.5
81.05815	1.8
81.07049	5.4
83.04957	3.9
84.08144	3.5
85.01135	2.4
85.02913	4.8
86.00655	2.1
86.09702	5.0
86.99027	2.5
88.02209	11.7
88.03992	100.0
91.05484	15.4
93.07054	17.5
95.04960	4.3
95.08633	3.2
97.01122	2.6
97.02881	2.7
97.06506	4.4
99.04431	2.4
102.03748	2.4
105.00070	4.9
105.03403	2.8
105.07032	43.6
107.04926	3.6
107.08595	30.9
109.06504	2.2
109.10153	2.5
117.07030	9.6
119.08585	34.5
121.06488	8.9
121.10159	5.9
122.02735	16.5
123.08030	3.6
125.09615	2.9
128.06244	2.3
129.07019	3.6
129.10228	1.9
130.07845	2.5
131.01605	2.3
131.08604	10.0
132.01117	2.2
133.06519	2.5
133.10130	61.9
134.02773	3.8
135.08046	5.1
135.11703	8.9
137.04224	4.8
137.05949	2.4
137.09581	2.2
142.03244	5.0
142.07809	2.0
143.08592	4.5
144.09341	6.6
145.06480	3.7
145.10144	7.4
146.07231	1.9
147.11670	5.1
148.04242	5.4
149.05995	5.0
149.09615	2.1
151.11147	3.5
153.09125	2.3
157.10114	2.1
159.08063	2.4
159.11688	29.0
161.09619	33.1
163.11212	7.7
165.03687	6.7
165.09134	9.3
172.08900	2.3
175.11214	8.3
177.12848	10.3
179.05215	1.8
179.10672	26.9
183.04764	22.7
187.11180	28.3
191.28656	1.8
193.10628	1.7
193.12285	4.4
195.08411	2.6
205.12225	28.7
219.08444	2.4
221.09949	8.5
223.13277	12.6
237.09428	7.1
239.10999	32.4
255.10506	8.3
280.13782	1.8
308.13184	3.3
326.14200	44.7
326.23218	2.1
344.15274	3.8
344.28946	4.1
345.06253	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	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
54.33644	2.4
55.01863	6.9
55.05508	22.8
57.03424	10.6
57.07071	15.2
59.05007	6.5
67.05498	32.2
69.03431	13.0
69.07070	5.1
70.83569	7.0
71.04984	25.3
79.05491	31.2
81.03413	3.2
81.07052	34.4
83.04969	6.9
85.06546	4.0
91.05464	36.2
93.07036	81.8
95.04965	78.6
95.08598	96.7
97.06535	17.9
105.07023	100.0
106.07345	4.6
107.04977	4.4
107.07882	3.7
107.08582	59.7
109.06483	21.1
109.10146	7.7
115.05471	10.8
116.06149	3.5
117.07029	39.1
119.08567	34.8
121.06462	17.6
121.10123	18.9
123.08045	32.8
125.06031	3.3
128.06227	3.9
129.06993	6.9
130.07779	22.8
131.08585	11.6
133.06482	11.9
133.10118	18.8
135.08049	27.4
135.11705	17.8
137.09621	5.8
142.07762	6.6
143.08566	12.8
145.06451	4.0
145.10110	90.9
147.07994	20.0
147.11681	3.2
149.09602	5.6
151.07529	56.3
153.08969	3.3
155.08586	3.0
156.09381	3.1
157.10107	12.2
159.08090	3.5
159.11700	8.7
159.35603	2.8
161.09633	9.6
163.11169	71.6
165.09114	23.1
169.10007	5.4
171.11690	8.5
173.09647	6.5
173.13229	4.0
175.11163	5.4
177.09081	7.1
179.07092	4.3
181.10246	3.7
183.11688	5.1
185.13182	3.6
187.11182	4.3
189.12755	10.7
197.13327	3.5
201.12708	3.7
203.14326	12.8
207.13773	8.3
215.14395	3.4
221.13319	4.9
221.15317	33.3
227.14299	3.3
241.16005	5.5
243.14009	3.3
263.16321	7.0
269.15335	4.7
286.19315	7.1
325.21756	8.1
343.22668	60.7
344.22919	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	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01875	10.4
55.05519	22.3
57.03440	10.7
57.07061	7.1
59.04993	6.7
60.04517	3.2
65.03940	3.3
67.05502	36.4
69.03435	12.1
69.07060	8.6
70.63360	3.7
70.63757	4.7
71.04987	28.8
73.04672	1.8
78.11983	1.7
79.05494	32.3
81.03405	6.1
81.07055	35.5
83.04958	6.3
85.06549	4.9
88.07608	2.0
91.05478	46.2
93.07043	83.4
93.07631	4.2
95.04967	63.8
95.08603	96.9
97.06529	20.5
98.21337	2.1
102.00937	1.9
103.05454	4.0
105.04549	2.3
105.07027	97.9
107.04951	4.3
107.08590	65.1
109.06493	23.0
109.10129	8.1
115.05428	7.6
115.18963	1.9
117.07013	42.4
119.08575	32.3
121.06496	17.2
121.10130	23.9
123.08064	29.2
125.05967	4.5
128.06210	5.7
129.07022	7.4
130.07782	22.0
130.10448	2.1
131.08565	15.5
133.06453	5.9
133.10127	18.7
135.08057	28.3
135.11674	20.9
137.05965	4.7
137.09584	7.3
142.07773	3.2
143.08542	13.8
145.10121	100.0
147.08041	20.7
147.11687	6.0
149.09602	7.2
151.07541	52.4
155.08496	3.6
156.09334	4.6
157.10130	9.6
159.08067	4.8
159.11711	14.8
161.09648	14.9
161.13252	3.1
163.07541	2.5
163.11177	73.3
165.09105	23.4
167.08514	3.0
169.10136	3.4
171.11678	7.7
173.09589	4.7
173.13245	6.7
177.09113	6.6
179.07085	4.2
181.12213	2.5
182.10733	2.0
183.11664	4.9
185.09651	3.5
185.13295	4.8
187.11183	7.8
187.14816	3.0
189.12723	13.9
191.14284	2.9
195.11746	3.0
197.13254	6.3
199.11212	3.6
199.14914	3.0
201.12660	2.0
203.14305	10.0
207.10091	4.3
207.13773	10.3
209.15439	5.6
215.14343	5.0
215.93544	2.2
217.12230	2.8
221.15353	30.4
233.15337	4.0
233.58197	2.1
263.16479	8.6
269.15344	4.7
274.19296	2.9
286.19296	5.0
287.19827	4.3
325.21588	8.4
343.19281	2.6
343.22641	68.8
343.26212	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	6.2
55.05497	17.0
57.03421	7.5
57.07056	12.0
59.04980	9.6
67.05499	28.9
69.03407	13.0
69.07072	6.5
70.08652	11.1
70.09055	11.1
71.04981	19.4
79.05491	26.6
81.07053	37.6
83.04971	4.2
85.06537	5.0
91.05467	40.9
93.07043	78.1
95.04961	74.3
95.08603	90.8
97.06530	17.0
103.05451	7.0
105.07025	95.9
107.08581	59.9
109.06506	16.4
115.05449	15.5
117.07014	32.8
119.08551	32.7
121.06493	20.6
121.10118	18.3
123.08078	31.9
127.88364	3.8
129.06990	9.8
130.07784	23.8
131.08537	11.0
133.06390	6.9
133.10107	17.4
135.08073	28.6
135.11681	15.8
137.09647	4.8
137.90097	4.4
143.08539	18.7
145.10114	100.0
147.08037	18.8
147.11702	5.4
149.09598	7.6
151.07516	64.5
155.08446	5.7
157.10158	9.1
159.11685	8.0
161.09624	11.0
163.11180	64.7
165.09119	30.0
175.11183	9.4
177.09174	6.3
183.11821	4.4
185.13303	5.0
187.11095	8.9
189.12694	10.1
191.14183	5.3
196.57190	4.1
197.13206	5.4
203.14294	8.4
207.13776	9.9
218.20590	4.8
221.15396	35.0
263.16544	9.9
325.21600	9.3
327.43555	4.2
343.22684	61.6
344.22833	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.05389	3.7
51.23614	3.9
53.03942	5.7
55.05520	18.0
55.05724	3.6
57.03415	7.3
57.07061	5.5
63.82316	3.7
67.05494	36.3
68.14779	4.1
69.03417	6.8
69.07070	4.0
70.71717	12.3
71.04976	15.5
79.05462	19.5
81.07044	34.9
81.78450	3.9
83.04937	4.6
85.06508	5.4
91.05476	36.3
93.07037	73.5
95.04967	69.2
95.08600	87.8
97.06542	21.0
105.07030	96.2
107.08578	53.1
109.06499	16.6
115.05397	4.7
117.07017	29.4
119.08570	24.0
121.06483	13.9
121.10120	16.8
123.08067	25.3
129.07013	6.6
130.07796	22.1
131.08575	6.4
133.06485	5.8
133.10155	18.5
135.08055	26.3
135.11734	20.6
137.09586	6.7
143.08545	12.7
144.82877	4.1
145.10114	100.0
147.08043	17.1
151.07536	61.3
153.09123	4.2
157.10074	10.0
159.11674	10.5
161.09526	8.3
161.13283	4.4
163.11159	65.6
165.09135	23.2
171.11607	5.9
173.09595	5.8
175.11189	6.4
177.09109	7.1
185.13306	5.8
187.11331	4.0
189.12700	14.8
191.14320	4.4
203.14342	10.5
207.10059	4.9
215.14259	8.0
221.15356	28.7
263.16400	10.4
286.19180	5.3
299.97220	4.0
325.21561	11.5
343.22702	66.6
344.22784	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.55292	1.3
53.03935	4.9
55.01865	7.2
55.05513	18.8
56.96579	1.5
57.03436	12.8
57.07081	9.1
59.05003	8.8
65.03937	4.2
67.05505	36.5
69.03429	15.0
69.07063	8.9
69.92146	7.7
71.04985	21.5
79.05492	31.1
81.03405	4.2
81.07055	33.6
83.04975	6.6
83.08588	1.6
83.81644	1.3
85.06548	4.6
91.04911	2.0
91.05477	40.5
91.06017	2.9
92.05788	2.6
93.07039	80.5
94.07357	1.7
94.52245	1.5
95.04964	63.6
95.08605	100.0
97.06532	15.4
98.21393	2.0
103.05473	4.6
105.07032	98.1
106.07396	2.0
107.04950	5.7
107.08592	62.9
108.05717	1.9
109.06521	23.0
109.10162	6.7
111.04443	2.0
111.08075	3.4
115.05444	9.2
117.07009	37.5
119.04951	1.3
119.08583	38.3
121.06510	18.5
121.10143	20.4
122.07220	1.6
123.08070	35.1
123.11723	2.2
125.05964	1.4
125.09663	1.4
128.06219	6.4
129.07042	8.8
130.07790	19.6
131.08589	11.2
133.06462	6.6
133.10135	16.7
134.07295	1.5
135.08061	30.8
135.11676	17.5
136.12076	1.5
137.05942	3.8
137.09598	5.2
141.06998	2.7
142.07770	4.3
143.08591	14.4
144.09325	2.0
145.06473	2.4
145.10121	95.7
146.07277	1.5
146.10481	2.7
147.08070	19.2
147.11676	6.3
149.09639	9.5
151.07541	56.9
151.11107	1.5
153.06952	1.5
153.09105	6.0
155.08562	5.6
155.95692	1.6
156.09308	4.8
157.10143	8.5
158.10820	2.0
159.08006	5.2
159.11699	10.0
161.09639	9.4
161.13220	6.4
163.07506	2.0
163.11174	70.1
164.11566	2.7
165.06952	1.5
165.09106	19.4
167.08519	2.5
169.10117	6.3
171.11638	8.2
173.09618	6.8
173.13284	3.3
175.11237	6.5
177.09082	6.7
179.07002	4.1
179.08501	2.2
179.10654	3.3
181.10103	4.1
181.12210	2.8
182.10904	1.7
183.11658	6.1
185.13222	4.0
187.11174	6.0
187.14806	2.1
189.12767	12.7
189.16444	2.0
191.10680	3.0
191.14302	3.7
192.09433	1.5
193.10136	2.6
195.11717	2.9
197.09773	1.6
197.11598	1.9
197.13246	5.0
199.11133	4.5
199.14774	2.5
201.12772	2.8
201.16394	1.4
202.13625	1.4
203.14377	11.8
207.10130	2.4
207.13716	7.6
209.13339	2.6
209.15382	3.3
213.12738	1.7
215.14316	6.2
217.12259	4.2
217.15929	1.5
221.13426	1.1
221.15378	28.6
223.14766	2.5
225.12839	1.8
227.14380	1.7
231.13771	2.2
233.15372	4.4
241.15912	2.9
243.13815	3.8
245.15393	1.8
263.16309	7.9
269.15390	4.6
271.16968	1.6
274.19345	1.8
279.21259	1.7
286.19278	5.6
287.16431	2.8
287.19861	1.9
325.21527	12.4
343.22678	65.9
344.22830	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.8
55.05505	14.6
56.96560	12.3
57.03436	5.0
67.05513	7.4
69.03417	14.2
70.06590	72.4
70.95878	7.2
70.96239	10.8
72.08157	100.0
79.05474	9.2
81.07070	24.7
83.06107	8.1
84.04501	9.7
84.08144	17.4
85.02911	9.3
86.09689	5.2
89.92713	4.2
91.05424	5.2
93.06987	4.9
95.04945	8.5
98.06047	22.9
98.09621	5.3
99.09226	28.5
109.06513	8.7
115.08714	6.7
116.07097	9.8
116.98611	6.2
119.08558	5.5
123.04466	7.5
124.19585	4.8
126.09127	4.8
129.10243	10.4
137.05959	6.8
137.09583	5.9
139.07555	10.5
147.04391	5.0
147.08075	4.6
152.14316	33.2
165.09117	6.8
169.16956	22.0
176.95975	3.9
182.08122	14.6
183.14940	5.0
186.04414	9.2
193.08664	9.5
194.14101	9.5
195.14970	11.5
196.14323	5.5
199.26788	3.9
207.08020	8.9
213.63657	4.2
235.07529	5.7
236.12796	6.0
239.07039	10.1
252.10216	8.6
253.15395	4.4
254.10185	8.8
261.16037	10.9
279.16983	10.0
284.12119	5.8
289.15430	8.5
297.12375	8.3
307.16510	80.7
315.13651	5.4
325.17648	53.2
326.17368	5.0
343.12308	6.6
343.19177	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51689	2.8
52.40749	2.6
53.59921	3.2
53.95684	2.5
55.05509	18.2
57.03419	4.9
67.05502	19.5
69.03433	3.8
69.07063	12.7
69.26804	21.9
69.27235	9.9
70.02582	5.2
70.02948	65.1
71.04987	6.0
74.02433	29.6
79.05504	17.4
80.11696	2.7
81.03414	4.8
81.07047	60.9
83.04967	5.6
83.08637	4.2
84.04486	4.1
85.02884	3.7
85.06544	5.2
87.05590	99.7
88.03992	84.4
91.05467	19.5
93.07044	19.3
93.07546	3.2
94.46260	2.7
95.04966	13.7
95.08603	16.4
97.02927	3.2
97.06538	7.8
98.02405	4.0
99.00803	3.9
99.04436	3.9
100.11250	33.6
105.07026	28.4
107.04978	4.1
107.08589	17.2
109.06496	12.5
111.04460	3.7
116.03452	10.8
119.08592	22.6
121.10156	21.6
121.43870	2.5
122.03654	3.5
123.11694	14.6
124.03935	3.4
125.05956	3.3
127.07544	6.5
131.04919	3.6
131.08553	6.2
133.06079	100.0
133.10083	3.5
137.05951	22.1
145.10106	8.5
147.11676	53.3
149.06007	3.7
153.05502	5.6
159.11601	3.9
163.07497	2.8
163.11165	6.6
164.14288	3.5
165.12730	34.1
169.31027	3.8
172.12152	2.8
173.09659	3.8
176.95757	3.1
181.12296	3.4
184.19450	3.6
187.11110	5.6
190.15869	14.0
191.10672	4.2
192.13928	3.5
193.12318	5.2
209.16502	4.9
210.11906	3.1
210.14882	5.1
215.10689	3.1
229.14349	7.2
234.14903	8.5
252.15982	4.3
262.11893	3.6
262.14429	12.1
265.08578	4.1
266.13843	3.6
269.92538	3.0
279.16989	32.3
280.15399	56.3
293.08212	3.5
307.16455	8.8
308.14917	12.8
310.48300	2.8
325.10672	3.9
343.07916	3.2
343.11719	7.6
343.30615	21.4
346.37854	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	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14581	0.9
53.03938	2.2
55.01845	2.9
55.05493	3.1
57.03434	6.0
57.07057	2.0
57.74494	0.9
59.04977	1.4
61.02927	4.9
63.08370	0.8
67.05490	2.4
67.51471	0.8
69.03432	17.6
69.07056	1.8
70.06588	1.5
71.01372	1.0
71.04987	2.7
72.08129	1.2
73.02914	2.6
78.78734	0.9
79.05476	5.4
81.03410	6.3
81.07059	8.7
83.04977	8.0
84.04502	1.5
85.02902	43.0
86.09705	1.5
87.04454	3.2
88.03957	1.6
88.23337	1.0
91.03946	1.7
91.05489	5.6
93.07043	11.8
95.04960	19.4
95.08604	2.0
97.02883	14.5
97.06515	3.0
99.04426	1.7
103.03951	1.1
105.07035	9.8
107.04948	1.5
107.08591	13.2
109.02868	3.7
109.06480	2.7
113.50793	1.1
116.01642	1.4
116.07024	0.9
117.06984	3.7
119.08562	5.2
121.06494	3.5
121.10142	14.2
123.08057	1.9
125.05983	12.9
127.03899	10.0
129.06932	1.0
130.07774	3.5
132.75076	0.8
133.10123	2.0
135.11681	8.9
137.05966	4.1
137.09599	1.6
142.03198	1.7
143.08551	1.5
145.04961	9.9
145.10120	18.1
147.08044	1.8
149.05998	1.7
161.09621	2.6
163.11176	100.0
164.11526	3.8
165.09016	1.4
165.12848	1.2
167.06905	1.2
170.02740	1.3
175.11157	1.7
175.34749	0.9
181.12233	21.3
182.85329	0.9
183.10265	1.1
193.12206	1.7
205.12216	2.7
223.13254	3.7
307.15350	1.2
343.13583	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01857	6.2
55.05507	5.6
57.03436	9.8
67.05504	45.8
69.03421	10.2
69.07056	16.7
70.27501	20.0
71.04997	19.2
79.05495	38.6
81.07056	100.0
83.04948	14.2
85.02908	6.5
85.06559	24.3
86.94221	3.8
91.05477	20.4
93.07046	33.3
95.04970	72.6
95.08593	14.0
97.06538	22.2
98.21458	4.7
99.04438	13.9
103.05460	13.5
105.07034	56.7
107.04932	6.6
107.08574	27.8
108.08105	7.3
109.06519	69.9
111.04405	11.1
111.08069	13.9
113.05959	6.3
117.07015	13.9
119.04918	9.0
119.08575	20.4
121.06478	16.6
121.10078	9.6
123.04414	28.2
123.08108	5.0
124.97384	4.4
125.06007	26.2
127.07558	34.2
128.06207	5.6
129.06956	7.0
130.04980	4.6
131.04927	12.3
131.08556	23.8
133.06474	17.5
135.08054	7.0
135.11691	7.3
137.05968	75.2
141.05432	7.0
143.06955	7.5
143.08580	9.1
145.06445	8.8
145.10123	75.0
147.08066	8.0
147.11668	5.3
149.05966	9.6
149.09599	5.0
150.12749	11.1
151.07542	11.5
153.05453	64.4
155.07101	7.6
159.08154	4.7
159.11726	24.3
161.06018	4.9
163.07562	16.8
163.11191	45.7
167.79555	4.7
169.08528	4.2
169.10075	9.4
173.09624	38.6
175.07423	5.7
177.12755	6.4
187.07614	5.5
187.11174	63.1
189.09012	6.8
191.10658	44.2
195.45593	4.6
197.09683	5.0
205.12210	43.1
209.11717	56.7
215.10649	41.9
223.13297	8.5
233.11742	38.5
251.12787	58.2
300.19583	25.9
305.74283	4.1
307.15399	7.6
325.16431	5.0
326.15671	5.7
343.17352	6.9
344.22128	19.8
357.54797	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01864	7.4
55.05509	5.2
57.03428	8.5
62.82755	2.5
65.03931	5.7
67.05495	37.4
69.03422	7.2
69.07061	10.7
70.01246	14.8
70.06570	8.7
71.04990	15.6
79.05493	29.2
81.03416	3.0
81.07050	100.0
83.04980	13.9
83.56904	2.4
84.08144	2.6
85.02914	3.1
85.06549	17.7
86.09708	5.8
91.05459	19.8
93.07034	25.2
95.04967	54.0
95.08612	6.2
96.93950	2.4
97.06531	19.2
99.04454	9.8
105.07018	40.9
107.04945	6.2
107.08579	18.2
109.06512	53.9
111.04426	4.0
111.08063	14.5
113.06007	7.1
115.05451	4.4
116.01681	8.4
117.07024	8.5
119.04969	5.9
119.08565	11.1
121.06489	14.1
121.10137	10.3
122.03616	3.2
123.04424	20.4
125.05991	14.3
127.07549	30.3
128.06180	3.1
129.05515	4.5
129.06998	5.9
131.08580	21.9
133.06482	9.5
133.10184	2.6
135.04422	3.1
135.08035	3.4
135.11696	6.6
137.02385	3.7
137.05968	81.6
138.06288	7.4
141.05481	6.4
142.03217	16.1
143.07013	6.2
143.08560	9.3
145.06487	8.6
145.10120	53.6
147.08055	3.3
147.11714	3.1
148.03923	26.3
149.05969	6.2
149.09618	8.7
151.07538	7.5
153.05467	15.3
155.07050	7.8
155.08473	3.0
158.07268	3.5
159.11671	21.5
162.02167	12.2
163.07503	2.8
163.11224	25.5
163.41507	2.7
166.04984	12.3
169.08636	4.4
169.10080	4.4
170.02650	4.7
173.09601	28.9
175.07481	3.8
177.12762	4.8
181.12131	3.3
187.11169	55.4
187.69002	2.4
189.12709	6.3
191.10677	40.0
194.12521	2.9
205.12234	39.9
209.11736	45.3
215.10645	35.5
221.05759	3.9
223.13268	4.6
226.56982	2.6
233.11705	35.9
237.09123	3.2
251.12753	49.7
265.11142	3.4
269.13696	3.5
273.12448	4.2
283.10535	4.2
293.10846	6.7
301.11795	12.8
307.09622	3.1
343.11700	5.5
343.17880	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	343.081
Annotation	Kashmigenin
Peak:m/z	Relative Intensity
52.43919	0.3
55.01865	0.4
55.66065	0.4
56.96546	0.4
65.03947	0.4
67.05473	0.5
68.99787	0.7
69.07066	0.4
70.11480	0.4
70.11785	1.8
79.05488	0.7
79.84263	0.3
80.43557	0.3
81.07034	0.8
91.05486	0.8
93.07016	0.5
95.04969	0.8
95.08585	0.9
105.03377	1.0
105.07014	0.4
107.01332	0.5
110.03655	1.3
114.07465	0.4
119.04931	1.1
121.10089	0.5
125.02327	0.8
125.05979	3.3
128.81944	0.4
133.02841	3.1
137.02345	1.4
137.05945	1.5
147.65256	0.4
149.02339	0.7
149.05916	0.6
151.03867	0.6
153.05479	3.0
155.04936	0.4
157.06227	0.4
161.02318	1.5
161.25703	0.4
162.03102	7.6
163.03629	0.5
165.01819	0.5
165.05508	0.4
169.06529	0.7
177.01845	1.7
181.04935	9.6
182.05243	0.4
184.03656	0.6
185.05931	0.8
186.06718	0.6
189.01811	8.6
193.04976	0.5
197.05966	1.3
199.03900	0.9
199.57965	0.4
201.05473	1.0
201.09047	0.6
213.05481	4.7
214.06287	1.2
215.07152	0.5
221.56406	0.3
225.05440	1.2
226.06236	0.7
227.03392	0.9
228.04062	0.6
229.05026	1.2
229.08490	0.7
230.05771	0.4
240.04207	0.4
241.04953	7.0
241.08629	0.8
242.05713	9.0
243.06482	2.2
244.07140	0.9
245.04593	0.5
245.08041	0.5
251.05431	0.8
253.04968	0.7
255.02925	0.7
255.06474	0.7
256.03372	0.5
257.05338	0.8
257.08066	14.3
258.08542	0.6
268.03671	0.6
269.04532	1.7
270.05151	4.5
271.06052	1.7
282.05283	0.9
283.06027	0.7
285.07541	17.0
286.07877	0.7
287.09171	1.4
297.03928	1.3
298.04669	1.1
310.04669	0.4
311.05487	1.8
313.07065	4.8
315.08575	1.5
327.05130	1.2
328.05756	5.7
343.08105	100.0
344.08466	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	50.9
57.03414	2.4
57.05355	1.2
57.47547	1.2
61.39547	1.1
69.03404	2.0
70.03352	6.4
70.06590	9.6
71.95239	1.5
72.08138	2.4
72.41676	1.2
74.97610	1.8
77.93856	1.6
81.03400	1.5
84.04456	1.7
84.08121	4.4
84.96015	5.2
85.02899	3.7
90.00823	1.2
97.02886	1.3
98.97577	80.3
98.98617	2.6
102.97065	1.5
110.07147	1.5
110.97564	19.0
111.79884	1.4
112.28755	1.2
112.99107	1.7
116.98611	89.6
119.01916	1.4
121.00813	1.3
128.98602	37.8
129.10220	2.1
130.04977	2.1
130.93269	3.4
131.00136	7.3
131.36491	1.1
133.04893	1.5
134.99654	69.2
135.00720	3.8
137.05922	1.5
140.00200	3.3
142.01732	1.9
143.00114	1.4
143.99695	3.2
145.07608	2.3
146.99632	35.1
147.07597	2.9
148.94318	2.2
149.01196	4.6
150.98082	2.8
152.00183	1.4
153.00703	14.3
158.01260	2.9
158.99617	2.0
161.01167	1.5
162.00687	1.7
162.99057	2.0
165.00687	4.6
165.89815	1.4
167.99722	1.6
168.99190	4.3
170.01180	2.1
170.99599	4.8
177.00711	3.7
182.99582	2.7
187.00266	90.3
189.00708	15.4
190.95270	2.3
201.00636	7.4
205.01321	100.0
207.01720	5.1
208.96416	2.4
210.01849	2.1
211.00214	8.6
211.07350	1.6
212.02367	1.7
219.01790	1.7
223.00259	3.9
223.02347	1.7
228.02846	2.6
229.01317	67.3
231.01707	2.5
232.96410	2.0
241.01308	30.4
241.03613	2.2
247.02383	23.6
249.02759	7.5
252.02948	3.0
253.01338	7.1
259.02377	10.0
264.02972	1.5
265.94794	1.4
271.02332	4.8
283.02481	1.7
301.03427	3.9
318.96411	2.5
319.04419	16.0
337.05420	11.8
343.04453	17.9
343.19702	5.2
351.74530	1.4
361.05563	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	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.6
57.07079	17.1
63.97493	2.3
69.03419	3.8
69.84605	16.3
70.06592	43.3
79.05496	3.0
81.03418	3.0
81.07061	4.7
83.08611	5.7
85.02894	18.1
86.09698	9.3
89.06024	36.2
91.05467	2.9
97.02843	3.4
98.21535	2.8
98.97642	2.6
101.09657	15.8
107.07071	44.5
137.05975	7.1
145.04976	2.8
163.13293	100.0
183.14937	11.1
211.14450	8.0
217.00410	2.3
227.33723	3.0
229.15504	8.5
325.11804	2.7
343.17310	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01561	8.5
55.05509	61.2
57.03417	8.5
67.05501	53.1
69.07068	89.9
69.29462	100.0
69.74975	8.3
75.75365	8.7
79.05489	43.6
81.07056	60.4
83.08617	20.9
91.05476	33.6
93.07024	49.4
93.22648	8.6
95.04984	15.7
95.08603	32.1
97.06551	22.0
97.10178	48.9
105.07018	70.5
107.08588	59.6
109.10163	20.4
116.06335	10.6
117.07018	18.4
119.08585	38.4
121.10085	10.9
123.11770	11.3
125.09637	66.6
131.08574	17.9
133.10095	20.1
135.08043	21.7
135.11676	8.9
137.09645	15.3
145.10083	25.7
147.11668	9.6
149.09641	15.6
153.09140	17.0
159.11716	10.5
161.13095	9.2
165.09198	17.4
203.12784	79.2
207.82780	9.5
275.20129	47.6
289.21640	14.1
333.85437	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.4
55.05507	61.1
56.96558	3.8
57.62090	2.8
59.04972	2.9
61.99278	2.5
62.30219	2.8
67.05180	2.6
67.05506	27.2
67.17205	2.9
69.03414	6.7
69.07066	24.3
69.50186	23.2
70.90346	3.0
71.04974	3.6
77.41758	2.3
79.05080	2.4
79.05492	37.3
81.07061	22.1
83.04963	7.0
83.08615	34.5
91.05459	19.3
93.07038	22.0
95.04951	10.0
95.08597	16.7
97.06496	4.6
97.10167	78.4
98.21572	4.7
99.17055	2.9
105.07021	22.4
107.04971	2.7
107.08591	100.0
109.06537	4.6
109.10147	6.1
117.06994	8.8
119.08574	11.9
121.10136	4.1
123.08105	5.0
125.09628	78.4
131.08565	6.4
133.10124	10.3
135.08031	16.5
135.11668	3.8
143.08549	4.7
145.10118	17.3
147.11699	8.6
149.09627	5.2
151.07574	4.4
153.09125	19.0
157.12230	6.9
159.11690	4.7
163.11172	10.7
171.10303	3.2
173.13280	3.1
181.12276	5.8
196.21681	2.3
197.13231	3.7
203.12775	95.3
215.16107	2.3
221.15306	2.9
257.18982	8.3
275.20053	33.5
277.06570	2.9
289.21600	13.2
307.22614	5.1
343.22830	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	341.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07412	3.1
51.80714	3.2
53.03933	12.6
55.01870	25.5
55.05507	42.2
56.96559	6.6
57.03442	16.1
57.03672	2.6
57.07057	8.6
61.02914	4.4
65.03931	10.6
66.07990	2.7
67.05499	100.0
68.05019	2.9
68.99782	10.2
69.03425	79.5
69.07064	93.2
69.51627	25.8
71.01347	6.9
71.04991	8.8
71.08612	10.8
73.02904	8.0
79.05483	55.3
81.03416	44.5
81.06583	5.2
81.07045	79.9
83.04973	29.3
83.08612	20.7
84.08182	2.6
85.02422	4.1
85.02901	45.0
85.06532	9.3
85.10182	2.8
87.00826	24.8
91.05451	48.0
91.05920	3.4
93.07035	53.5
95.04957	47.1
95.08607	36.1
97.02889	24.4
97.06532	10.0
97.10170	4.2
98.97576	25.2
99.04452	8.0
99.08072	10.5
100.11263	3.5
103.03930	3.5
103.05468	4.0
105.01828	7.3
105.07019	42.7
107.04953	21.9
107.08582	35.6
109.02867	13.3
109.06506	15.1
109.10147	41.7
111.04436	23.6
111.08062	4.4
113.02348	9.2
113.09582	3.5
115.05402	5.8
116.98618	17.3
117.01836	3.7
117.07020	17.8
119.08585	16.6
119.39487	3.1
121.06488	17.9
121.10168	19.3
123.04416	20.2
123.08057	9.4
123.11699	21.1
125.05949	8.0
125.09600	5.9
127.03911	15.9
128.06171	4.0
129.01840	6.2
129.06992	11.9
131.00186	8.0
131.04868	4.3
131.08540	21.4
133.06461	10.3
133.10123	27.9
134.99672	11.2
135.04471	3.2
135.08073	12.1
135.11661	15.2
137.05951	39.5
137.09558	7.1
137.13242	3.0
139.03896	5.8
141.06947	4.3
143.08652	3.5
145.06496	8.1
145.10092	16.3
147.08055	6.1
147.11664	18.4
149.01212	11.6
149.05980	7.2
149.09662	6.1
149.13260	6.4
151.07539	4.2
151.11154	44.5
153.05452	3.6
153.12680	5.4
155.08507	4.4
157.10165	7.3
158.99608	9.3
159.02876	5.9
159.08075	6.9
159.11676	7.4
161.05914	3.0
161.09589	3.9
162.33865	2.9
163.01527	2.8
163.03922	2.9
163.07506	5.0
163.11162	10.4
163.14848	3.5
165.12720	15.5
167.07016	4.3
169.12328	4.5
171.02641	3.1
171.11716	3.2
173.01213	11.3
173.09608	3.3
173.13239	9.2
175.07472	5.3
175.11172	8.1
177.00717	14.0
177.05389	3.1
177.12788	8.1
183.11717	3.9
187.07541	13.4
189.09184	5.8
189.12782	3.4
191.02325	11.4
191.14288	15.4
193.12224	14.2
195.13789	4.1
201.00737	6.1
201.12723	12.7
202.07716	4.0
202.98767	4.0
203.08632	4.2
207.13646	3.7
209.03409	4.7
211.07494	6.5
217.08597	4.5
219.01805	10.5
219.08008	5.3
219.13783	35.8
231.08147	3.6
237.02797	3.3
237.14838	26.0
239.07176	5.0
240.07785	3.9
244.99644	6.6
247.07492	4.2
248.08434	7.2
249.09021	5.8
255.15907	5.3
263.10706	6.2
271.09625	5.8
277.08362	4.1
279.10114	5.8
281.11682	4.6
287.00873	3.5
291.10156	13.7
305.13724	8.1
309.11057	6.7
323.09161	3.5
329.01825	4.0
332.09186	3.9
341.13898	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	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
55.05515	1.5
55.46433	1.2
65.03925	1.4
67.05516	2.0
69.07044	1.9
69.53436	1.3
69.98522	3.5
69.98911	2.6
71.55569	1.2
79.05495	4.7
81.07050	4.8
91.05424	6.9
93.07014	1.5
94.04170	2.2
95.04960	5.0
95.08612	2.5
97.02905	1.7
97.06511	1.6
103.05479	2.5
105.07022	7.9
107.04957	3.7
109.06514	3.8
111.70876	1.2
115.04747	1.4
115.05408	5.8
117.07018	3.3
118.06561	1.6
119.04948	7.2
119.08591	7.1
120.05250	3.5
121.06513	3.0
121.10142	1.5
122.03646	8.2
123.04447	8.2
124.04724	3.0
125.06065	1.7
128.06223	4.1
129.07018	5.6
131.04898	1.5
132.05685	4.7
133.06476	4.4
137.05969	100.0
144.05705	1.9
145.06494	3.7
146.09579	1.7
147.04395	5.6
147.08041	5.6
149.05991	2.8
155.04933	1.5
156.05727	2.7
157.06398	1.6
159.08058	3.3
160.05191	3.3
161.05977	11.6
165.05524	1.6
165.07056	1.4
167.07011	5.7
172.05299	2.0
175.07533	41.3
176.14311	10.5
177.05533	1.3
177.09111	3.2
177.14685	18.4
178.07874	1.6
179.06998	1.2
184.05106	1.4
187.07510	14.1
189.07048	1.6
189.09071	3.2
190.07756	3.3
191.08546	8.6
199.07510	8.6
202.07722	3.4
203.08507	7.5
205.06519	1.5
206.07278	2.5
217.08536	2.9
218.07265	1.8
219.08076	12.6
220.08858	3.2
221.09532	3.5
223.07542	2.3
231.08052	6.3
232.08806	1.7
234.06847	2.2
235.07637	1.8
236.08267	2.1
237.08968	1.7
247.07532	3.9
248.08147	6.5
249.09230	6.1
251.07033	1.5
251.08345	1.4
251.10626	11.0
253.08646	1.7
259.07520	4.2
263.07068	2.3
263.10675	4.2
265.08600	1.8
266.09296	2.5
276.07831	3.0
277.08487	5.7
279.10184	8.0
280.10699	1.3
281.11679	7.2
283.09579	1.6
291.10062	7.9
292.10938	4.6
293.08051	2.3
300.09845	1.3
308.10229	1.9
309.07654	2.0
309.11200	11.7
311.12772	5.4
323.12677	5.1
326.11493	1.7
341.10294	2.3
341.13876	12.0
341.19351	21.9
342.14236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
55.05507	9.9
70.04636	9.6
71.04984	3.1
73.20541	1.8
79.05478	4.3
81.03391	1.6
81.07034	6.0
83.04948	2.6
83.08600	4.2
85.02890	3.6
91.05472	7.2
94.04190	4.7
95.04984	2.3
100.11254	18.5
101.11568	5.1
103.05449	2.6
105.07038	4.2
107.04956	5.1
109.06514	2.8
110.06026	1.9
111.04411	2.8
115.05461	2.9
117.07054	3.7
119.08549	2.4
121.06474	2.0
122.03618	8.0
128.06216	2.4
128.07098	2.7
129.07007	10.7
131.04889	5.2
133.02843	5.0
133.06444	2.4
137.05975	100.0
138.06342	2.2
144.05687	4.1
145.06467	2.1
147.04436	2.5
147.08067	2.1
149.05994	4.3
151.03856	4.1
151.07529	7.2
153.05466	2.0
157.06447	4.2
159.08023	5.1
160.05264	4.7
161.05954	7.8
163.07556	2.4
165.05472	3.4
167.07066	8.5
172.05196	3.3
174.06773	4.7
175.07532	30.5
177.05481	5.6
177.09084	3.4
178.07640	2.1
179.07037	4.5
182.15343	4.8
183.15669	1.8
187.07524	27.8
189.07224	2.6
189.09114	9.8
190.07719	2.8
191.08534	6.1
192.09264	2.5
196.05132	2.7
199.07526	4.3
202.07811	4.5
203.08559	12.1
205.06540	3.3
206.07245	3.2
210.14810	5.9
211.07538	14.4
211.15179	2.6
213.17801	2.7
213.68021	3.3
217.08534	13.2
218.07300	2.5
219.08066	9.6
220.08792	5.0
221.09558	5.5
227.07033	4.8
227.67719	5.0
228.07802	1.9
231.08031	15.5
232.08737	3.0
234.06737	3.0
235.07489	3.2
237.09109	2.7
239.07016	12.3
240.07738	12.5
247.07513	9.5
248.08301	18.0
249.09061	7.8
251.06961	2.3
251.10744	6.3
253.08604	3.1
255.06448	4.8
256.07309	7.5
259.07559	6.0
261.09009	2.1
263.06958	2.4
263.10654	14.1
264.07770	2.0
265.08636	8.0
266.09320	1.9
270.08868	7.9
271.09653	31.6
273.62024	1.7
276.07788	9.3
277.08603	8.0
277.22989	2.1
279.10190	11.5
281.08411	2.4
281.11646	10.1
283.09647	6.7
291.07083	3.5
291.10150	43.6
292.10773	5.1
293.08032	5.4
294.08902	2.0
295.09515	2.2
296.10403	2.9
297.11108	3.0
308.10312	4.3
309.11038	11.8
311.12662	8.3
323.12585	15.3
341.13474	20.2
341.79172	1.9
343.30850	4.1
344.30911	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.39426	0.8
55.01863	1.0
65.03938	1.1
67.05507	1.2
69.07052	0.9
69.90907	4.5
71.04987	5.0
79.05472	3.2
81.03407	0.8
81.07042	3.2
81.26076	0.8
89.03983	1.1
91.05459	4.9
94.04171	4.0
95.04948	1.2
103.05459	2.9
105.07045	1.6
107.04964	1.9
107.08527	1.1
109.02893	0.9
109.06497	2.8
111.04395	1.4
115.05424	2.8
117.07018	1.4
119.04929	1.5
119.08598	1.2
121.06557	0.9
122.03641	7.2
125.05978	1.9
128.06169	1.4
129.06999	6.8
131.04907	3.6
131.08574	1.0
133.02859	8.0
133.06461	1.2
133.10045	1.0
136.05249	1.0
137.05969	100.0
138.06302	1.6
139.05510	0.9
143.04961	2.0
144.05684	4.1
145.06467	2.0
147.04384	1.9
149.05992	4.3
151.03888	3.7
151.07530	6.1
153.05472	2.0
157.06505	5.0
158.07246	0.9
160.05161	3.8
161.05988	1.7
163.07527	3.1
164.04683	0.9
165.05539	5.2
165.06833	1.3
168.05724	1.6
171.08084	1.6
172.05203	4.5
174.06767	7.9
175.07541	16.8
176.08296	0.9
177.05510	6.1
177.09061	2.5
179.03323	0.9
179.06976	4.2
179.08427	1.2
187.07538	27.8
188.08153	1.1
189.09113	14.0
190.89932	0.9
191.07024	1.4
191.08554	3.0
192.09334	1.3
193.10089	1.2
196.05186	7.2
197.05936	3.5
199.07536	3.8
202.07782	5.0
203.08546	13.0
205.06506	3.5
205.08453	1.3
208.08835	1.3
211.07530	24.0
212.04614	2.2
213.05457	3.6
217.08577	11.6
219.08058	9.3
220.08835	8.0
221.05922	2.4
221.09566	1.9
225.05431	2.7
227.06999	13.0
228.07750	3.7
231.08035	16.5
232.08749	3.4
233.05992	2.2
233.09546	2.1
234.06743	2.2
235.07498	2.1
236.08344	2.0
237.09085	2.9
239.07021	14.1
240.07771	16.8
241.04991	2.6
241.08495	2.1
243.09898	1.1
247.07570	7.5
248.08328	25.4
249.05515	1.5
249.08965	3.6
249.18411	1.0
250.06306	2.2
251.06909	1.0
251.10681	5.3
253.08580	3.0
254.09344	1.6
255.06474	11.3
256.07251	8.8
259.07587	5.3
260.08292	2.8
261.05597	1.2
261.08997	3.8
262.09805	2.0
263.06976	1.1
263.07571	1.5
263.10635	20.4
264.07755	2.5
265.08664	6.7
268.07294	4.4
270.08856	19.3
271.09622	46.0
273.08948	1.0
276.07822	11.8
277.08609	5.7
279.10101	8.7
280.10907	2.1
281.08078	1.6
281.11664	2.6
282.08759	1.3
283.09586	12.4
285.11142	1.1
290.09338	1.4
291.10129	53.4
292.10742	4.4
293.08112	5.2
296.10342	5.9
297.11209	3.4
305.11798	1.3
307.09756	1.8
308.10345	7.7
309.11081	2.1
311.12732	8.0
311.18408	0.9
313.14532	1.1
323.12769	28.3
341.13821	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.58067	1.0
55.01868	1.7
55.05496	2.3
65.03944	1.5
67.05470	2.5
69.03413	2.5
69.07047	3.3
70.11864	2.4
70.12275	4.7
71.04974	3.3
79.05476	4.7
81.07045	4.1
83.04948	2.1
91.05445	8.7
93.07039	2.5
94.04160	3.6
95.04943	2.5
95.08582	2.8
103.05444	3.2
105.06992	4.6
107.04926	4.6
109.06499	3.6
109.10184	1.9
109.87435	1.3
111.04454	2.0
115.05439	3.7
117.07040	2.0
119.04955	3.5
119.08564	7.5
121.06551	2.0
122.03620	7.7
123.08042	1.3
127.11252	1.3
128.06195	4.2
129.06995	11.1
131.04903	4.6
131.08470	1.7
132.05679	4.2
133.02841	5.3
133.06508	2.1
135.04401	1.6
137.05966	100.0
138.06306	1.5
143.04901	1.9
144.05624	3.2
145.06488	4.5
146.03500	1.4
147.04398	4.4
147.08026	5.5
149.05984	5.8
149.09596	1.5
151.03885	3.7
151.07530	6.0
156.05675	1.7
157.06447	3.5
159.08055	1.5
160.05208	5.2
161.05989	12.9
163.07545	2.7
164.04576	1.3
165.05478	3.9
165.06932	1.7
167.07013	3.6
168.05566	1.2
171.08047	1.3
172.05164	4.7
174.06734	5.3
175.07541	53.1
176.07967	1.4
177.05402	5.0
177.06816	1.5
177.09122	6.1
179.07047	3.1
179.08546	1.4
185.05975	2.1
187.07523	21.3
189.07004	1.6
189.09090	8.9
191.08539	4.6
192.09225	1.1
196.05176	3.4
197.06009	2.7
199.07553	1.7
202.07782	6.3
203.08549	11.4
205.06435	5.2
205.08430	1.6
206.07202	2.1
208.08846	1.9
211.07486	12.8
217.08589	8.9
218.07262	2.3
219.08090	9.7
220.08784	4.9
221.09544	2.5
225.05472	1.6
227.07027	7.2
228.07666	1.9
231.08008	13.4
232.08702	2.9
233.05981	2.0
234.06697	2.5
235.07506	2.9
236.08403	1.7
237.05124	1.2
237.09024	2.5
239.06987	9.2
240.07732	8.6
241.08496	2.1
247.05191	1.2
247.07529	6.4
248.08313	16.3
249.09041	6.0
251.10707	6.5
252.11018	1.2
253.08571	2.4
253.12010	1.2
255.06477	4.5
256.07330	4.6
258.06998	1.4
259.07483	6.8
261.09116	2.5
262.09814	1.7
263.10657	12.3
264.07819	2.5
265.08551	4.5
266.09052	1.9
268.07190	1.9
270.08835	11.5
271.09637	24.4
276.07809	7.7
277.08508	5.4
278.05685	1.4
279.10138	8.9
281.08139	3.4
281.11606	6.8
283.09607	7.9
285.11316	1.3
285.32190	1.2
291.10120	33.5
292.10770	3.6
293.08145	2.6
294.08459	1.3
296.10376	3.3
297.11197	3.3
308.10522	3.5
309.11145	15.0
311.12701	7.8
323.12723	21.7
341.13287	18.6
341.20740	2.3
342.14285	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03941	2.1
55.01864	1.8
56.55295	1.0
59.94127	1.0
67.68033	0.9
69.03411	1.2
71.04985	4.6
79.05484	2.9
80.97308	1.0
81.07059	3.9
86.09676	1.1
91.05472	4.4
91.26429	1.0
93.07013	1.5
94.04198	3.9
95.04950	3.4
101.67331	1.3
103.05446	2.7
105.03403	1.1
105.07030	1.8
107.04956	4.8
109.06490	3.2
115.05450	3.2
117.06980	2.2
119.04953	2.3
119.08566	1.2
122.03631	10.1
123.04403	1.6
125.06004	2.2
128.06230	3.2
129.06999	10.2
131.04929	4.9
131.08586	1.5
133.02856	5.3
133.06578	1.2
135.04451	1.1
137.05972	100.0
138.06241	1.1
143.04913	1.6
144.05705	3.6
145.06470	3.2
146.07272	1.1
147.04367	2.3
149.05981	4.6
151.03889	2.9
151.07584	7.8
153.05486	1.6
157.06512	6.9
158.07262	1.5
160.05225	5.4
161.05994	3.6
163.07520	3.9
164.04698	1.3
165.05466	6.0
167.07043	3.4
172.05219	5.1
173.05867	1.3
174.06769	9.6
175.07544	18.9
177.05441	6.7
177.09084	2.6
179.07039	3.7
187.07536	30.9
188.08151	1.3
189.07219	1.7
189.09116	11.5
191.08554	3.4
192.09158	1.1
195.08046	1.3
196.05194	7.0
197.05956	3.1
199.07521	3.1
202.07819	4.9
203.06917	1.5
203.08591	15.2
204.09113	1.4
205.06482	3.0
205.08546	1.8
207.08069	1.3
208.08725	2.2
211.07549	23.4
212.04677	1.5
213.05504	4.8
217.08572	12.2
218.07352	1.6
219.08029	10.1
220.08739	7.8
221.09645	3.4
225.05466	2.5
227.07027	14.6
228.07840	3.1
229.59682	1.4
231.08035	19.1
232.08757	5.0
233.05949	4.9
233.09669	1.5
234.06772	1.6
235.07620	1.9
236.08269	2.8
237.05580	1.3
237.09106	3.7
239.07030	16.0
240.07764	15.2
241.05074	2.0
241.08435	1.9
247.07562	7.5
248.08301	23.6
249.09111	5.3
250.06281	2.1
251.07021	1.3
251.10591	5.2
253.08621	2.2
253.12340	1.2
254.09424	1.9
255.06546	11.5
256.07300	9.8
259.07504	6.9
260.08316	2.5
261.09247	1.5
262.06256	1.8
262.10019	2.0
263.07553	2.1
263.10645	19.9
264.07809	2.6
265.08609	3.9
268.07288	5.1
269.08191	3.0
270.08868	19.8
271.09628	41.5
276.07846	11.5
277.08600	7.0
278.06085	1.3
279.10150	9.4
280.10919	3.0
281.08191	2.9
281.11703	3.7
282.08813	1.5
283.09610	11.7
285.11264	1.4
291.10147	54.0
292.10910	6.0
293.08221	8.3
293.11230	1.8
295.09656	2.7
296.10419	5.5
297.11121	4.0
308.10434	6.4
309.11310	3.1
311.12793	8.5
313.14212	1.4
323.12778	27.4
324.12878	1.5
341.13980	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	341.1379
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.10136	1.0
55.01873	1.4
55.05497	2.7
67.05492	3.8
69.03414	2.7
69.07063	1.4
70.86307	2.0
70.86638	2.4
71.04976	4.1
79.05487	2.2
81.07030	3.1
83.04976	10.3
83.08615	1.4
85.06525	1.2
86.09670	1.8
91.05447	9.1
93.07037	2.2
94.04165	3.2
95.04962	4.5
95.08586	4.2
100.11263	2.7
105.07013	3.2
107.04969	5.1
107.08571	2.0
109.06567	1.8
109.10131	3.2
111.04420	1.3
113.05985	4.7
115.05443	5.5
117.06995	5.1
119.04932	1.6
119.08594	8.3
121.06494	3.2
122.03656	8.4
128.06216	3.5
129.06998	9.3
131.04898	1.7
131.08531	1.2
132.05745	7.7
133.06497	2.4
134.05992	1.0
137.05969	100.0
145.06502	4.5
146.03587	1.8
147.04420	5.5
147.08069	10.4
149.06004	2.5
149.09610	1.7
151.07545	2.9
157.06480	3.2
159.08167	1.2
160.05185	5.7
161.05991	9.7
162.05472	2.5
162.06706	1.7
163.07564	1.8
175.07542	79.5
176.08034	1.7
177.05376	1.3
177.09105	7.8
182.04951	2.1
185.05971	1.8
185.09665	1.3
187.07509	7.5
189.09102	4.1
190.07788	2.2
191.08553	4.2
199.07478	2.2
202.07787	2.6
203.08519	4.1
205.06540	1.3
207.08034	1.7
213.17772	1.2
217.08537	2.8
219.08011	7.2
220.08702	2.0
221.05969	1.2
221.09525	1.3
231.08043	4.1
236.08340	1.2
237.08711	1.2
247.07512	4.4
248.08278	2.6
249.09003	1.7
251.10756	5.8
259.07553	3.7
260.12778	4.9
263.10583	1.7
264.07962	1.6
265.08545	1.3
270.08829	1.3
276.07703	1.8
277.08606	1.4
278.13904	3.6
279.10123	6.3
281.11758	2.9
291.10065	7.7
292.11032	1.4
309.11130	3.5
311.12668	6.1
323.12668	5.1
326.11026	2.6
341.09991	1.4
341.13733	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
65.03927	1.6
70.06570	2.0
71.04941	1.4
79.05467	4.1
81.03406	2.1
81.07043	5.5
83.04958	1.8
84.08085	2.0
86.09714	2.0
87.04443	1.2
91.05454	4.2
93.07017	1.7
94.04163	4.4
95.04916	1.8
95.08576	2.2
103.05445	3.1
105.07012	2.5
107.04926	2.8
109.06482	4.4
111.04421	2.0
115.05437	3.1
117.07006	2.0
119.04919	2.1
119.08545	2.2
121.06490	2.4
122.03641	7.8
128.06206	4.6
129.07011	12.0
131.04892	4.4
131.08521	2.8
133.02844	3.1
137.05966	100.0
144.05649	7.7
145.06447	3.4
146.07249	1.9
147.04427	1.9
149.05957	3.2
151.03931	1.5
151.07487	5.2
156.05688	3.8
157.06459	9.6
158.07257	2.4
159.04416	2.0
160.05209	3.0
161.05963	4.2
162.06827	1.6
165.05437	2.4
171.07997	2.0
172.05171	8.0
174.06735	18.8
175.07480	11.9
177.05492	2.6
177.09070	1.6
179.07048	1.7
187.05864	3.0
187.07524	52.2
189.09074	20.3
191.07024	2.3
191.08560	6.2
194.07199	1.6
196.05272	1.7
199.07553	9.1
202.07779	5.6
203.08575	14.2
205.06516	4.0
207.08020	2.1
208.08838	2.8
211.07486	4.6
214.04996	1.8
217.08578	32.2
218.07251	2.7
219.08047	14.0
220.08832	6.4
221.09372	1.6
225.05547	1.5
225.09012	2.8
227.07034	3.7
231.08028	12.2
232.06143	2.0
232.08742	4.0
233.05865	2.5
233.09586	1.7
234.07130	1.8
235.07497	4.8
236.08311	4.4
237.09106	3.0
239.06935	4.3
240.07765	4.0
247.07578	10.6
248.08305	18.1
249.09004	3.2
249.44333	1.3
251.10707	7.9
253.08572	4.6
255.06422	2.5
256.07230	1.8
259.07486	5.8
260.08417	4.6
261.09039	4.8
263.07550	1.9
263.10654	16.4
264.07846	5.9
265.08533	8.8
270.08740	3.6
271.09622	11.9
276.07870	6.5
277.08572	6.0
279.10165	17.1
280.10794	3.2
281.08057	4.6
281.11658	2.3
283.09683	3.2
287.26141	1.5
291.10132	36.0
292.10794	3.8
293.08109	6.2
293.11221	1.4
295.09796	2.0
296.10434	14.4
297.11142	3.6
305.11487	2.9
306.09677	3.2
308.10327	2.3
309.10992	3.5
311.12753	18.4
323.12738	35.0
341.13776	10.5
359.03110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.2
66.37742	1.3
69.62657	5.0
69.63062	3.5
70.06585	2.5
71.05000	2.5
76.75188	1.2
79.05479	3.8
81.03417	2.0
81.07055	2.4
81.71249	1.1
84.04536	1.8
85.02876	4.4
86.09745	1.6
87.00812	1.6
90.66503	1.3
91.05469	4.6
93.07030	2.0
94.04163	3.8
95.08607	1.4
97.02878	2.2
98.21398	2.0
103.05429	1.6
105.01839	2.9
105.07014	1.6
107.04956	2.5
107.08574	1.5
109.06527	2.3
110.99686	1.1
111.94219	1.1
115.05443	2.5
119.04926	2.2
122.03657	8.4
125.05993	1.7
127.03919	2.3
128.04242	1.5
128.06207	4.8
129.07022	9.0
129.30489	1.1
131.04922	3.4
131.08598	1.4
133.02815	1.2
135.20213	1.2
137.05975	100.0
138.06355	2.0
143.08522	1.5
144.05685	5.2
145.06467	2.8
149.06004	1.9
149.09595	1.5
151.03929	2.3
151.07504	5.9
153.05431	1.4
157.06491	7.7
158.07251	1.7
160.05177	3.6
161.05978	2.0
161.09613	1.5
163.07614	2.3
165.05513	2.5
165.06929	1.3
171.08051	1.9
172.05186	6.5
174.06769	12.3
174.95824	1.4
175.07518	10.0
177.05426	1.4
179.07069	2.2
187.07526	37.1
188.08203	1.8
189.09129	14.7
190.07797	2.2
191.08478	4.2
196.05128	2.4
197.06055	1.6
199.07504	5.8
202.07735	5.7
203.08548	13.3
204.43134	1.4
205.06439	4.7
205.08377	1.6
208.08931	2.1
211.07541	5.0
217.08604	23.3
219.08076	12.7
220.08766	6.1
221.05942	1.3
221.09593	1.7
227.06984	7.9
227.09030	1.4
231.08043	13.0
232.08807	3.4
233.05965	1.9
233.09538	2.0
234.06758	1.6
235.07539	3.8
236.08282	3.2
237.09059	2.8
239.07018	4.4
240.07758	3.3
247.07542	10.4
248.08325	17.9
249.05602	1.6
249.09064	2.2
250.06190	1.6
251.10704	5.4
253.08646	3.2
255.06429	7.1
256.07196	1.7
259.07516	6.3
260.08322	2.8
261.09055	5.2
263.07495	2.3
263.10651	18.9
264.07803	3.6
265.08582	5.1
269.08084	1.3
270.08823	10.8
271.09601	9.9
276.07825	7.6
277.08691	2.9
279.10104	17.0
280.10703	1.8
281.08087	3.0
283.09686	3.6
290.09341	1.4
291.10141	42.4
292.10751	4.2
293.08112	5.9
296.10422	9.4
297.11288	2.7
305.11688	1.5
308.10352	4.9
309.11084	1.4
311.12766	16.0
323.12805	35.8
341.13754	20.0
341.20547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01862	1.7
55.05517	1.2
60.04502	1.0
65.03918	2.1
68.99786	1.2
69.03436	1.0
69.07076	1.0
70.06586	1.5
71.04969	1.4
71.56427	1.3
72.08132	2.2
74.76565	0.9
79.05474	3.3
81.07064	2.1
83.06087	7.0
84.08139	2.3
86.09694	3.3
91.05428	3.8
91.05849	1.8
93.30762	0.9
94.04175	4.5
95.04961	2.2
103.05433	2.9
105.07012	1.8
107.04938	3.0
109.06464	4.8
111.04436	3.7
114.07231	0.9
115.05413	2.3
117.07065	1.0
119.04906	1.9
121.06493	1.3
121.49873	1.1
122.03642	9.3
123.04421	1.4
124.42020	0.9
125.05981	1.0
128.06204	3.8
129.07007	13.4
129.10318	1.2
131.04906	3.4
131.08542	1.8
132.05621	1.0
133.02841	2.9
135.04362	1.2
137.05963	100.0
139.05391	1.4
143.04932	1.1
143.08517	2.1
144.05661	3.9
145.06445	2.8
146.03581	1.2
146.06009	1.0
146.07182	2.1
147.04358	2.7
149.05981	2.9
151.03902	3.6
151.07520	4.9
156.05673	1.6
157.06473	7.1
158.07265	2.9
160.05215	2.8
161.05980	2.6
162.06812	1.0
163.07512	2.0
163.11104	1.2
165.05461	2.2
165.06950	1.2
167.07104	1.4
171.08025	1.9
172.05132	8.0
173.05930	1.4
174.06735	13.5
175.07541	12.2
177.05457	2.0
179.03362	2.8
182.12894	5.1
187.07527	38.0
188.08275	1.1
189.09084	17.8
190.07724	2.6
191.08498	4.7
196.05042	2.3
197.05969	1.3
199.07574	5.8
202.07764	5.1
203.08531	14.0
205.06465	3.1
207.07852	1.9
208.08817	2.2
209.09418	1.2
210.06895	1.1
210.12465	1.3
211.07503	6.3
212.04654	1.9
213.05368	1.2
217.08592	21.7
218.07346	2.1
219.08031	13.3
220.08789	6.0
222.06705	1.5
223.13904	1.0
227.06970	7.1
230.07346	1.1
231.08012	14.9
232.08789	4.8
233.06020	3.2
233.09586	3.3
234.06793	1.3
235.07504	3.4
235.11212	1.2
236.08278	4.3
237.09033	3.2
239.07021	4.6
240.07776	3.9
241.08578	1.3
247.07527	9.5
248.08315	17.8
249.05583	1.3
249.09021	2.8
250.06155	1.4
251.10704	5.8
253.08578	3.1
255.06499	6.8
256.07239	2.4
259.07565	6.3
260.08337	3.2
261.09073	1.8
262.06259	1.4
262.09769	1.0
263.07529	1.6
263.10629	17.9
264.07828	4.9
265.08591	9.5
267.09827	1.3
268.07336	2.0
270.08859	8.6
271.09604	11.6
273.09021	1.3
275.06989	1.3
276.07809	9.4
277.08438	4.4
279.10168	14.7
280.07571	1.2
280.10788	2.9
281.08005	3.5
283.09592	3.7
285.11371	1.1
291.10129	40.3
292.10770	3.1
293.08008	5.5
293.10941	1.0
296.10440	10.0
297.11133	2.6
299.09296	1.0
305.11798	1.7
308.10464	6.0
309.11105	1.2
311.12747	15.6
313.10199	1.1
323.12762	33.3
341.13828	18.0
341.20969	1.1
359.02728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96339	1.0
56.96563	12.8
65.03917	1.4
67.05486	2.2
71.04980	5.3
71.24648	1.6
71.24989	2.8
71.95256	1.5
79.05485	3.0
81.07039	4.3
91.05444	6.2
93.07027	1.8
94.04173	4.3
95.04991	1.6
103.05439	2.3
105.06995	1.4
107.04958	2.6
107.08569	1.5
107.94546	1.2
109.06493	3.4
111.04396	2.1
111.93191	1.3
115.05448	2.6
117.07002	1.6
119.04943	4.6
119.08581	1.7
121.10129	2.0
122.03643	10.1
128.06221	2.6
129.06981	8.2
131.04892	3.3
131.08562	2.8
133.02841	6.6
133.06468	1.5
137.05966	100.0
143.04865	1.7
144.05678	6.0
145.06551	2.2
147.04347	1.3
147.07994	1.6
149.05949	4.7
151.03917	2.9
151.07530	6.1
153.05356	2.0
157.06474	6.2
158.07236	1.5
159.03246	1.7
160.05144	4.9
161.05899	2.9
163.07516	2.5
165.05469	5.8
165.06812	1.5
168.05659	2.9
172.05206	4.6
174.06812	8.9
175.07545	20.5
177.05449	7.2
177.09023	3.6
178.07674	1.7
179.07018	5.2
185.06039	2.1
187.07544	28.3
189.09099	11.8
190.07787	1.9
191.08479	3.1
193.10126	1.3
196.05124	6.4
197.05908	2.9
199.07507	5.4
202.07796	4.2
203.08568	15.4
205.06418	2.8
205.08549	2.3
211.07513	23.7
212.04768	1.5
213.05371	4.4
215.08430	1.5
217.08553	12.4
218.07245	1.7
219.07996	10.4
220.08751	7.2
221.09679	3.1
222.06706	1.6
225.05447	2.7
227.07028	13.3
228.07802	4.3
231.08061	14.0
232.08774	3.5
233.05959	2.8
233.09613	1.6
235.07597	4.0
237.09085	2.4
239.07034	13.3
240.07777	15.9
241.04965	2.7
241.08830	1.8
241.11061	10.3
247.07565	5.1
248.08293	24.1
249.09137	6.3
250.06305	1.9
251.10626	3.4
253.08646	2.1
254.09309	1.7
255.06488	9.0
256.07321	9.7
259.07547	5.5
259.12134	17.2
260.08194	3.4
261.09152	3.2
263.07065	1.9
263.07492	2.2
263.10638	20.0
264.07761	3.4
265.08578	5.4
267.08899	2.1
268.07346	4.0
270.08804	18.9
271.09641	45.3
272.10107	1.6
276.07809	16.1
277.08524	5.5
279.10126	9.5
280.10791	2.0
281.08130	2.4
281.11496	2.9
283.09650	12.0
285.10187	5.7
291.10132	60.8
292.10648	4.0
293.08102	6.4
295.09723	2.7
296.10379	5.3
297.11072	2.8
303.11008	3.0
308.10483	6.6
309.11142	2.7
311.12653	8.0
313.14297	1.8
323.12769	32.9
326.11301	1.4
341.13562	24.6
341.19049	4.8
359.13736	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01863	9.6
57.03433	8.9
61.02933	6.4
64.21999	3.0
68.73569	2.4
69.01601	2.7
69.03431	47.5
70.06595	9.2
70.86896	7.5
71.04993	4.5
71.84231	3.0
73.02921	7.2
79.05491	11.4
81.03417	23.1
81.07067	8.8
84.04514	17.6
85.02907	100.0
85.03999	3.3
86.06069	5.7
87.00842	45.4
87.04474	13.8
91.05404	5.6
95.04934	5.9
97.02890	34.0
98.09632	2.9
99.04468	10.5
101.02390	4.5
105.01863	72.0
105.07070	6.3
107.04981	5.2
109.02880	26.3
109.06554	4.7
110.06007	3.3
110.07177	3.9
112.16721	3.6
115.03952	4.0
121.06389	3.3
123.44453	3.3
127.03922	68.7
129.07001	3.7
130.05011	6.8
131.04539	9.0
136.07628	3.5
137.05983	11.0
140.03438	17.3
145.04980	30.2
149.06030	4.0
155.08131	3.2
159.02930	9.0
163.03894	5.0
165.09103	6.4
181.06189	4.4
182.08131	34.1
192.03650	4.5
194.08197	6.3
213.04015	3.5
219.02905	28.6
220.03244	33.1
222.11278	9.7
226.04250	5.1
231.04971	14.9
234.04755	3.6
249.06058	6.0
250.10748	20.7
254.10178	4.6
262.04242	16.1
268.11816	17.1
322.12827	6.1
340.07718	4.5
340.13663	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01863	9.6
57.03433	8.9
61.02933	6.4
64.21999	3.0
68.73569	2.4
69.01601	2.7
69.03431	47.5
70.06595	9.2
70.86896	7.5
71.04993	4.5
71.84231	3.0
73.02921	7.2
79.05491	11.4
81.03417	23.1
81.07067	8.8
84.04514	17.6
85.02907	100.0
85.03999	3.3
86.06069	5.7
87.00842	45.4
87.04474	13.8
91.05404	5.6
95.04934	5.9
97.02890	34.0
98.09632	2.9
99.04468	10.5
101.02390	4.5
105.01863	72.0
105.07070	6.3
107.04981	5.2
109.02880	26.3
109.06554	4.7
110.06007	3.3
110.07177	3.9
112.16721	3.6
115.03952	4.0
121.06389	3.3
123.44453	3.3
127.03922	68.7
129.07001	3.7
130.05011	6.8
131.04539	9.0
136.07628	3.5
137.05983	11.0
140.03438	17.3
145.04980	30.2
149.06030	4.0
155.08131	3.2
159.02930	9.0
163.03894	5.0
165.09103	6.4
181.06189	4.4
182.08131	34.1
192.03650	4.5
194.08197	6.3
213.04015	3.5
219.02905	28.6
220.03244	33.1
222.11278	9.7
226.04250	5.1
231.04971	14.9
234.04755	3.6
249.06058	6.0
250.10748	20.7
254.10178	4.6
262.04242	16.1
268.11816	17.1
322.12827	6.1
340.07718	4.5
340.13663	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	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.01866	6.2
55.83390	2.2
56.05022	3.3
57.03437	5.0
57.07056	2.1
61.02914	5.5
66.46648	2.4
67.05492	5.2
68.52934	2.1
68.99787	3.0
69.03424	38.5
69.89698	14.0
70.06590	4.6
71.04995	4.7
72.08163	2.5
73.02893	7.6
78.74380	2.3
79.05466	4.5
81.03413	22.3
81.07040	5.5
84.04521	11.2
84.08144	4.2
85.02901	100.0
86.09695	4.9
87.00818	44.3
87.04435	4.1
91.05392	4.7
95.04968	3.5
95.08577	2.4
97.02889	32.7
99.04436	13.0
105.01860	80.4
105.06992	3.9
108.04503	2.3
109.02877	24.5
109.06566	3.0
116.98626	3.1
117.01799	3.3
119.08571	5.0
121.10194	3.2
127.03913	66.1
129.01859	3.1
130.04971	10.7
130.08669	3.3
133.06480	2.1
133.10127	2.9
137.05965	8.6
140.03378	3.1
145.04942	30.3
146.03178	5.0
147.02870	3.1
147.11748	2.5
148.09683	3.8
159.02870	11.3
175.07611	2.7
175.11151	3.2
177.05482	3.4
178.05804	4.7
182.08138	8.5
187.07532	5.2
189.03973	2.7
189.09088	2.4
192.33542	2.3
193.12152	5.6
211.13289	5.8
222.08231	3.3
222.11389	2.5
231.05023	17.6
248.08144	4.5
249.06093	5.2
250.10770	4.0
282.32901	2.5
291.10126	4.4
322.20007	3.7
340.13687	6.5
340.21054	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	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03930	2.7
55.05509	46.0
57.03197	1.6
57.03436	20.0
57.07075	22.7
58.07383	1.0
64.82609	1.0
67.05501	29.8
69.07066	56.0
71.04963	1.5
71.08634	8.2
73.06506	1.1
74.64535	1.2
79.05492	14.2
81.06586	1.8
81.07053	29.8
83.04994	1.6
83.08616	38.4
85.06526	1.8
85.10162	4.8
91.05465	2.7
93.07040	19.0
95.04990	1.5
95.08602	34.0
96.08909	1.2
97.06529	6.2
97.10168	22.0
97.35897	1.2
98.21437	3.2
99.08090	2.1
105.07020	2.1
107.08585	10.6
109.10144	12.8
111.08051	4.5
111.11707	7.1
113.09627	1.2
115.34316	0.9
119.08553	3.8
120.81701	1.0
121.06495	3.9
121.10142	19.4
123.11671	5.2
125.09595	2.9
125.13242	1.2
133.10114	4.6
135.11687	12.8
139.11142	2.2
147.11661	3.6
149.09573	4.2
149.13168	5.1
151.14879	1.7
153.12697	1.1
161.09624	3.0
161.48889	1.0
163.14847	4.0
164.11951	2.4
175.11110	2.9
177.12744	6.4
223.38271	1.2
247.24173	3.3
265.25250	3.8
283.16913	10.5
284.17737	3.9
339.28931	100.0
340.29349	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.25896	2.0
53.03936	4.0
55.01857	2.0
55.05510	22.3
57.03436	11.0
57.07058	8.0
58.33712	1.7
67.05503	100.0
69.07070	13.9
71.20606	3.6
71.20947	2.1
78.47845	1.7
79.05492	48.2
81.07053	97.6
83.04994	2.2
83.08610	6.2
91.05479	23.5
93.07042	64.5
95.04974	6.2
95.08604	91.6
97.06522	2.4
97.10159	4.3
99.08020	2.7
105.07037	25.6
107.08598	46.2
109.06528	2.5
109.10153	49.8
111.08051	2.4
115.05357	2.0
117.07001	11.9
119.08578	22.5
121.10142	41.1
123.08102	2.3
123.11690	23.0
131.08563	21.4
133.10132	15.6
135.11694	34.6
137.09572	2.1
137.13228	4.0
139.11186	2.4
145.10127	25.0
147.11707	18.0
149.13242	19.3
151.11182	4.1
159.11681	23.1
161.13261	7.0
163.14842	4.9
165.12680	3.0
173.13260	17.6
175.11215	2.5
187.14804	5.6
191.14339	2.2
201.16473	2.4
205.76228	2.3
219.21085	5.8
229.19492	22.8
247.20564	91.5
248.20975	5.2
265.21680	6.2
283.16962	9.7
321.24228	7.3
339.25360	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	3.4
54.33461	1.6
55.05503	16.4
57.03423	8.4
57.07064	5.3
65.03932	3.3
67.05502	100.0
68.56419	1.7
69.07066	15.9
69.54163	5.1
69.54581	8.6
71.04986	1.9
76.95818	1.7
79.05490	45.4
81.07054	93.7
83.08611	7.3
85.06551	2.2
85.10171	1.9
91.05490	24.2
93.07038	57.9
95.04973	3.5
95.08603	91.6
97.06548	2.6
97.10175	3.6
99.08089	4.6
105.07022	22.4
107.08594	50.1
109.06527	3.8
109.10150	52.4
110.10469	2.6
117.06998	9.0
119.08577	17.8
121.10134	37.7
123.11714	16.2
131.08543	18.2
133.10123	19.6
135.11685	36.0
137.09621	2.3
137.13280	3.4
145.10121	19.8
147.11646	16.4
149.13255	18.9
159.11674	17.4
161.13191	3.3
163.14813	7.6
173.13275	14.1
173.28841	1.9
175.14861	3.1
184.09950	2.1
187.14780	4.1
219.21054	4.8
224.39220	2.1
229.19461	21.5
247.20563	77.4
248.20891	3.2
265.21622	6.0
276.04486	1.9
283.16904	12.0
321.24310	8.0
339.25461	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	339.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01876	3.6
55.05513	22.7
57.03423	6.4
57.07057	5.7
67.05504	100.0
69.03442	3.2
69.07068	20.7
77.67255	2.4
79.01501	2.8
79.05495	52.5
81.03400	3.4
81.06585	5.1
81.07056	99.7
83.04989	4.7
83.08611	10.1
85.06526	6.3
87.47952	3.0
89.03931	5.6
90.30469	3.0
91.05467	32.9
93.07043	76.1
93.07619	3.7
95.04958	9.2
95.08604	91.7
97.06517	5.2
97.10188	7.3
98.20751	8.7
105.07030	35.3
107.08585	63.3
109.06463	3.9
109.10156	48.4
117.03360	14.9
117.07017	17.5
119.08610	28.4
120.52634	3.2
121.10127	52.2
123.11715	15.3
131.08575	21.0
133.10133	20.4
135.11699	36.2
137.06039	2.8
137.13268	4.8
145.02831	19.8
145.10120	25.0
147.11661	24.2
149.13263	28.1
159.11726	18.5
161.13199	5.5
163.14792	7.5
164.93228	3.2
167.84824	3.1
173.13269	13.7
175.11116	4.1
177.05478	42.2
187.14771	7.6
190.15840	3.2
201.16312	4.1
219.21114	5.2
219.48714	2.9
229.19505	30.7
247.20575	96.5
248.20885	6.6
265.21423	3.2
283.16959	25.0
291.52005	3.4
292.98621	3.0
321.24310	7.8
339.25598	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	339.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90199	0.7
55.05515	10.6
57.03434	5.2
57.07080	15.7
63.03814	0.5
67.05506	7.3
69.07069	12.4
70.18650	2.3
71.08631	1.7
72.41835	0.6
74.88287	0.5
79.05487	3.1
81.07060	6.9
83.08622	8.0
84.32653	0.6
85.06559	0.7
89.85460	0.6
91.05471	4.5
93.07037	6.1
95.04994	0.7
95.08621	7.1
97.06542	2.1
97.10174	5.3
105.07030	12.1
105.07692	1.2
107.08611	5.1
109.10154	3.0
111.08107	0.9
111.11758	1.0
119.07805	1.2
119.08587	15.1
121.06522	4.3
121.10149	32.2
121.42210	0.6
123.11736	0.7
131.08524	0.8
132.09355	0.8
133.06512	1.4
133.10133	16.1
135.10780	0.6
135.11633	3.2
142.07845	1.4
145.06509	0.8
145.10117	2.5
147.08089	1.6
147.11694	21.2
149.13281	1.2
151.11235	1.1
157.10139	1.6
160.08832	2.6
164.16232	0.6
175.11198	13.1
177.12764	1.0
247.24292	0.8
283.16937	100.0
284.17169	2.9
339.23172	10.5
339.28958	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
51.62811	1.1
52.64394	1.0
53.03930	2.3
55.01859	1.2
56.46471	1.0
57.03417	2.4
57.62862	1.1
65.03931	1.9
67.05490	2.5
69.03419	6.4
70.91459	2.4
71.04973	1.1
74.42812	1.1
78.04690	1.0
79.05491	2.3
81.03402	4.2
81.07037	2.2
82.93221	1.0
83.04935	1.3
85.02898	24.6
89.03903	6.8
91.05480	3.1
93.07021	2.0
95.08589	1.6
96.20748	1.1
97.02866	2.3
103.05479	2.4
105.07028	2.1
107.04950	2.2
107.08602	1.8
108.08105	4.5
109.02833	3.0
109.06512	1.3
109.10117	1.1
110.03665	2.2
111.04481	1.3
115.05443	1.9
117.03375	25.6
119.08604	1.5
121.10229	1.3
125.06000	2.5
125.99032	0.9
127.03900	1.2
128.06154	1.2
129.07037	2.1
131.04906	1.5
134.03580	2.0
135.04417	3.2
137.05978	7.2
144.05693	1.3
145.02834	56.6
145.06499	2.8
149.05962	11.2
151.03906	1.2
151.81808	1.1
153.05458	2.3
159.08043	5.5
161.05891	1.5
163.03911	2.6
165.05612	1.0
165.06927	2.6
167.07007	1.3
171.04407	2.3
177.05464	100.0
178.05850	2.6
178.07698	2.4
178.15852	1.1
179.08469	2.0
182.15535	1.6
185.06000	4.5
186.06783	3.3
189.05418	2.8
189.07051	4.3
190.07733	6.8
191.08574	7.2
193.06415	3.2
194.07320	2.3
195.06529	1.8
195.08139	1.6
202.07843	4.1
203.08508	2.8
205.06528	5.1
206.07254	3.7
207.07947	7.7
208.08797	4.0
214.06267	4.9
217.06532	1.8
218.07224	8.7
219.08032	16.0
220.08775	7.4
221.05943	8.1
221.09587	3.8
222.06697	3.2
223.07468	1.4
229.08595	8.1
233.05916	3.6
233.09795	2.4
234.06764	4.0
235.07503	16.1
236.08287	13.0
236.16566	2.0
237.09065	2.8
246.06802	2.8
247.07523	10.8
248.08319	4.4
249.05501	3.7
249.09058	5.2
250.06223	2.7
250.09781	1.6
251.10654	19.5
253.08560	3.9
261.09189	2.0
262.06378	1.7
263.06970	8.7
264.07779	24.8
265.08603	8.1
266.05792	2.0
275.07040	3.2
277.05472	1.0
277.08621	4.1
278.09320	5.5
279.10126	16.3
280.10803	3.3
281.05020	1.7
281.08118	8.4
282.08603	1.4
289.08505	1.9
291.06467	2.1
292.07315	4.7
293.08173	5.9
295.09604	2.2
295.20178	4.7
296.10419	2.4
306.08771	1.3
307.09610	37.7
308.10318	7.2
309.07642	1.7
311.09210	1.9
311.12778	28.4
312.13226	1.2
321.09845	2.0
323.09293	1.2
324.09872	4.8
339.12259	49.5
339.22861	2.9
340.12787	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61356	0.6
52.01378	0.6
53.03932	2.1
55.01857	1.4
57.03417	2.3
61.02908	2.7
67.05494	0.7
69.03070	1.0
69.03425	11.5
69.39439	2.9
69.39869	2.5
71.04977	1.4
81.03413	7.2
81.07060	0.9
85.02901	53.8
89.03902	7.8
91.05467	3.1
93.07024	1.1
95.04990	0.9
97.02891	4.5
98.20758	0.8
99.04447	1.6
106.04133	0.7
109.02866	4.8
117.03375	24.5
127.03912	3.7
131.62776	0.6
134.03613	2.3
135.04369	3.0
137.05980	2.6
145.02838	57.6
147.04320	0.7
149.05975	9.4
151.03923	3.7
153.05330	0.6
163.03917	2.1
177.05461	100.0
178.05794	1.8
186.05510	1.3
191.03378	1.6
195.06537	4.8
219.02855	3.7
233.91705	0.6
240.82391	0.5
247.07559	0.8
251.23462	0.6
279.10159	0.9
281.97418	0.6
307.09616	2.1
321.10391	0.7
339.10648	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	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16869	1.2
57.03417	2.4
61.02913	3.7
65.82334	1.0
67.05489	1.6
69.03426	12.5
70.02486	5.3
79.05473	2.4
81.03423	6.6
83.28252	1.1
85.02901	60.7
89.03914	7.6
89.71026	1.2
91.05477	2.1
95.04970	1.7
97.02893	6.2
100.11217	2.4
105.07034	1.3
107.04931	2.5
109.02882	4.7
110.03691	1.8
111.04443	1.3
113.21333	1.2
115.05446	1.2
117.03369	24.3
117.06965	1.4
125.05994	2.0
127.03908	3.4
128.06134	1.4
131.04869	1.7
134.03613	2.2
135.04407	3.1
137.05946	3.7
145.02840	59.6
145.06509	2.3
149.05995	8.2
153.05469	2.5
159.08063	3.5
163.03906	2.3
165.06898	2.4
171.04454	1.9
172.03954	1.5
177.05467	100.0
178.05685	1.8
178.07857	1.3
182.15387	1.7
185.06013	1.7
186.06801	1.7
189.07062	2.0
190.07823	3.9
191.08568	4.2
193.06456	2.2
195.06432	5.0
202.07809	1.4
204.06375	1.5
205.06491	3.4
206.07263	1.9
207.08090	5.4
208.08913	1.9
210.15024	1.9
214.06285	2.4
218.07330	5.7
219.08072	11.2
220.08777	4.1
221.05943	5.2
221.09589	1.3
223.07419	1.4
225.09143	1.8
229.08583	6.0
233.06033	1.2
233.09642	1.8
234.06776	2.0
235.07523	8.8
236.08347	8.6
237.08965	1.7
239.06822	1.3
246.06738	2.4
247.07545	6.8
248.08327	1.6
249.05434	3.4
249.09148	2.3
250.06219	1.7
251.10689	14.5
252.11029	1.1
253.08583	2.2
261.09052	1.7
263.06998	5.6
264.07797	17.1
265.08542	6.3
275.07028	3.3
277.05103	1.1
277.08536	2.5
278.09290	5.2
279.10165	10.2
281.08011	4.7
292.07138	2.7
293.08124	3.6
305.32010	1.3
306.08841	1.6
307.09598	28.3
308.10278	5.3
311.12790	16.0
321.10233	1.4
324.09842	4.3
326.09735	1.2
339.12396	30.9
339.23154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01862	0.9
57.03416	3.6
61.02915	3.6
62.05861	0.8
69.03085	0.9
69.03428	12.3
70.66283	2.7
71.04984	0.8
79.05449	1.3
81.03417	6.8
81.07073	1.4
85.02903	57.5
89.03913	10.0
91.05481	1.5
95.04935	1.1
97.02880	3.7
103.05441	1.1
107.04940	2.5
109.02875	4.3
110.03674	1.2
115.05480	1.1
117.02528	1.2
117.03371	23.3
118.30149	0.8
122.06016	0.8
125.05979	2.2
127.03896	3.1
129.06998	1.2
134.03645	2.1
135.04422	3.3
137.05948	3.2
141.22318	0.8
145.02838	56.8
145.06503	1.3
147.04362	0.8
149.05966	9.9
153.05449	1.8
159.08018	2.2
161.06079	1.2
163.03915	1.2
165.07025	1.3
171.04439	1.3
177.05464	100.0
178.07799	2.7
179.08528	1.9
185.05984	1.6
186.05362	1.1
186.06787	2.1
189.07004	3.1
190.07762	2.8
191.08572	5.7
193.06511	2.2
195.06546	4.6
202.07739	2.0
203.08647	1.1
205.06421	2.0
206.07155	2.2
207.08028	4.3
208.08813	3.1
214.06255	3.7
218.07286	5.2
219.08073	10.8
220.08797	6.2
221.05981	4.0
222.06772	1.1
225.09161	2.0
229.06668	1.3
229.08609	8.0
233.06027	1.3
233.09521	1.4
234.06670	1.9
235.07545	8.9
236.08301	7.9
237.08951	1.6
246.06749	1.5
247.07578	6.2
248.08339	2.7
249.05388	2.6
249.09116	2.8
250.06258	1.4
250.09904	1.9
251.06892	1.1
251.10674	13.6
253.08614	2.1
263.07034	7.3
264.07797	16.3
265.08646	4.6
266.05652	0.9
275.06943	3.4
277.08597	2.4
278.09317	3.1
279.10181	11.7
280.10794	1.1
281.08127	4.2
291.06665	1.0
292.07272	3.7
293.08005	3.1
295.09491	1.6
296.10321	2.3
306.08752	1.3
307.09631	28.2
308.10489	5.9
311.12726	15.8
321.11151	1.4
324.09857	3.6
339.12357	30.7
339.19012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01872	1.6
57.03426	2.6
59.47475	0.6
61.02917	2.6
67.05511	1.1
69.03431	10.7
70.15649	2.6
71.04967	1.5
79.05482	1.4
80.96813	0.6
81.03430	6.9
81.07060	1.0
85.02902	53.3
89.03919	8.8
91.05476	1.9
93.07015	1.1
95.08600	0.8
97.02898	4.2
99.04444	1.4
105.06996	1.4
109.02878	4.9
117.03371	26.2
120.08080	1.2
127.03912	2.5
130.81183	0.8
134.03613	1.9
135.04417	1.9
137.05969	2.7
145.02835	58.9
149.05957	8.3
151.03906	3.7
153.57576	0.7
159.08043	1.0
161.05888	0.8
162.03127	1.6
163.03935	1.8
165.05443	0.8
177.05466	100.0
178.05873	0.8
186.05461	1.2
195.06525	4.5
204.25848	0.7
215.07048	0.8
219.07959	0.9
247.07443	1.4
261.09155	1.1
279.10229	1.2
307.09659	2.7
321.09875	0.7
330.26297	0.7
339.10669	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	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.30023	0.6
53.03944	1.3
57.03427	3.0
61.02911	2.3
61.57336	0.6
69.03078	1.0
69.03425	11.2
71.15446	1.6
78.05187	0.7
79.05497	0.8
81.03412	7.2
84.08109	0.9
84.73705	0.7
85.02901	48.9
89.03914	7.8
91.05470	2.1
93.07021	1.2
95.04955	1.0
95.08599	1.1
97.02890	3.9
99.04441	1.3
103.05437	0.7
106.04169	0.8
106.64372	0.8
109.02848	4.6
117.03372	26.2
121.06531	0.8
127.03892	3.4
134.03587	1.8
135.04393	3.2
137.05942	2.0
145.02835	55.4
147.04393	0.9
149.05977	9.5
151.03925	3.1
163.03915	1.7
165.05499	1.0
177.05463	100.0
178.05901	0.8
186.05528	1.3
191.03397	1.6
195.06549	3.9
219.02847	1.6
219.08017	1.6
225.12131	0.7
247.07407	1.2
307.09631	1.7
321.10611	0.8
339.10602	7.2
354.74829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05502	8.4
57.03428	3.3
57.07076	3.9
62.06089	100.0
62.15836	2.0
67.05508	17.5
69.07062	5.4
71.08627	23.9
79.05482	13.6
81.03390	2.8
81.07046	19.0
83.04952	4.2
83.08630	3.7
91.05478	10.6
93.07040	18.3
95.04990	4.3
95.08598	14.1
97.06525	4.8
98.06040	4.6
99.08106	18.1
105.07025	11.0
107.08587	8.2
109.10151	6.4
119.08562	7.3
121.06490	2.2
121.10134	11.1
123.11703	1.8
131.08586	2.3
133.10136	6.2
135.08041	2.8
135.11644	4.9
137.09601	2.1
145.10135	4.0
147.11685	6.3
151.11165	7.1
156.08386	1.8
161.13235	4.7
163.11142	3.0
171.11679	2.1
175.11229	2.7
177.05478	2.9
179.14252	10.8
222.18512	19.5
240.19556	24.9
241.19576	3.1
259.20520	3.7
277.21631	6.8
283.16910	12.4
320.25821	90.0
321.24072	2.7
321.26138	2.0
338.26935	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01871	1.4
55.05508	50.6
57.03434	32.5
57.07076	7.5
58.11434	0.8
65.03935	4.1
67.05501	100.0
69.07066	55.7
70.05821	4.0
70.07372	1.2
71.04991	2.0
71.08619	3.1
78.87560	0.9
79.05013	0.9
79.05487	26.6
81.07050	97.6
82.07406	1.4
83.04978	2.3
83.08614	26.1
85.06528	2.8
91.05478	17.1
93.07037	24.2
95.04980	1.8
95.08602	67.6
96.08902	1.6
97.06525	6.3
97.10162	13.0
99.08064	2.7
105.07030	12.2
106.85599	0.7
107.08588	12.8
109.10147	24.5
111.08082	2.3
111.11720	2.9
119.08560	7.9
120.94387	0.7
121.10138	12.9
123.08035	1.4
123.11709	11.1
125.09594	2.2
133.10133	8.9
135.11699	5.3
137.13225	3.6
139.11102	1.0
145.95247	0.8
147.11678	5.3
149.13306	4.0
151.14821	1.7
153.12685	1.8
161.13293	5.2
163.14839	1.9
165.12712	1.0
175.14818	3.3
245.22607	1.6
263.23709	3.3
337.27350	81.8
338.27658	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	337.9696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19085	2.7
56.96559	36.9
70.06585	4.7
70.44862	4.9
70.45236	8.5
71.95262	4.6
72.08159	2.9
75.67744	2.2
78.79531	2.3
78.95252	4.3
98.97580	39.6
116.98614	62.6
116.99435	4.0
119.01900	15.0
120.01991	2.7
123.83023	2.4
129.79433	2.3
134.99648	100.0
137.02953	9.4
137.13103	2.5
142.03403	5.2
153.00705	28.2
158.01300	6.8
160.04547	3.8
175.11842	3.3
176.02284	2.7
177.00975	12.1
179.00645	5.6
189.00157	3.2
192.98624	5.6
202.60881	2.2
208.96332	3.2
212.92200	2.7
216.98700	20.8
219.02031	16.0
220.02138	3.4
221.01743	4.6
225.99867	2.5
230.93330	18.0
234.99730	65.7
236.00032	3.4
246.91019	3.3
248.90903	2.4
248.94376	10.9
250.94582	2.4
250.97328	2.9
253.00806	4.8
254.93279	8.4
255.01044	2.8
256.96570	9.0
257.96631	2.8
258.01376	3.1
258.96384	12.9
258.99890	6.3
260.96100	3.0
261.02963	15.1
262.03299	3.1
263.02780	4.2
272.94342	46.9
274.97604	8.4
276.97900	5.1
277.00928	10.3
279.00491	3.1
282.96353	3.9
288.92145	14.3
290.91837	8.9
290.95404	41.5
292.98547	8.2
295.96136	4.0
296.94699	2.7
300.97488	4.0
301.00864	2.9
306.93179	7.7
308.92905	6.1
311.96072	13.0
312.46024	5.1
312.96066	2.9
313.93451	2.4
313.96857	4.4
314.95386	44.2
314.99020	3.0
320.96542	5.8
332.91016	4.3
332.96518	5.9
337.92786	3.2
337.96979	3.9
338.06851	9.4
341.91611	3.2
346.91125	4.0
349.90085	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.19851	1.1
55.01868	2.1
55.05511	48.1
57.03440	27.0
57.07076	6.8
65.03936	2.7
66.04683	1.6
67.05505	100.0
67.62590	1.1
67.66142	1.2
68.05833	1.4
69.07066	56.8
71.04974	3.5
71.08614	2.6
79.05489	28.4
81.07058	94.7
82.07373	1.8
83.04993	2.5
83.08616	21.4
91.04963	1.7
91.05477	16.2
93.07043	21.7
95.04944	2.8
95.08606	75.3
97.06510	4.8
97.10168	15.2
99.08083	2.3
105.07021	11.0
107.08594	14.2
109.06458	1.4
109.10152	28.6
111.08084	3.2
111.11688	3.1
119.08589	8.3
121.10131	10.7
123.11702	11.7
125.09687	1.3
133.10129	9.4
135.11713	6.9
137.09581	2.1
137.13234	6.1
147.11661	5.6
149.13254	3.8
161.13208	4.7
163.14816	2.8
174.90370	1.1
175.14844	3.4
189.16440	1.7
191.79427	1.2
229.64522	1.3
245.22740	2.6
253.51343	1.3
263.23660	6.3
293.27707	1.2
322.90591	1.2
337.27371	79.6
338.27621	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	337.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
69.03402	0.5
70.06580	1.4
71.56335	0.8
72.08150	0.7
83.02827	0.5
84.08115	1.1
86.02399	0.5
86.09679	0.5
88.03992	0.9
89.23914	0.4
91.05465	0.9
95.04899	0.5
96.00848	0.5
98.97486	0.5
102.05531	1.4
107.04902	0.6
116.05003	0.9
117.02650	0.5
118.06538	2.0
128.04948	7.5
129.10214	0.6
146.06000	100.0
147.06328	1.5
148.03918	1.9
148.06131	0.7
153.01782	0.4
162.05469	0.5
163.03883	0.9
164.07166	0.6
172.03941	2.1
177.05478	0.7
197.55013	0.5
197.89630	0.5
199.05171	0.5
217.04820	0.6
276.99869	0.5
319.12387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	5.4
65.03952	4.0
67.05494	3.9
69.07036	3.5
71.57516	4.6
78.72145	3.1
79.05515	3.2
81.07042	9.9
84.08131	5.4
91.05460	11.0
92.05000	4.2
93.07016	5.7
95.04934	4.2
95.08600	3.6
97.06504	3.9
98.06086	3.9
98.09669	3.9
101.91654	2.9
107.08620	3.8
108.08076	3.5
109.06467	7.1
115.05383	3.2
120.04453	4.6
123.98690	2.8
126.08212	4.3
126.09148	83.3
134.05965	5.3
137.06006	10.5
138.05545	16.7
140.75864	3.6
147.04393	4.7
148.03912	10.3
148.07507	3.3
150.05492	10.3
153.01869	5.2
159.07898	4.0
159.11432	3.8
166.04999	100.0
167.05246	4.1
192.06461	3.1
194.04474	61.0
212.05498	17.3
222.28580	3.0
227.11945	5.3
234.06735	4.5
249.12061	3.3
255.05566	3.5
255.11278	4.1
270.09912	4.4
272.11484	6.0
273.12314	10.6
301.11752	55.1
319.12714	11.9
337.10629	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82621	38.0
69.83006	12.3
70.06585	10.5
78.49403	6.8
94.44478	7.2
96.51993	5.8
98.20787	7.4
165.67404	6.3
332.12610	8.4
337.08643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	12.1
61.92665	7.0
64.38209	6.8
70.06577	19.5
70.49102	23.0
72.04511	10.6
76.05096	8.7
103.08846	7.0
108.41243	6.8
130.09653	8.5
145.03514	9.5
146.99652	7.5
158.13947	7.4
177.09834	19.4
193.00168	14.1
217.02026	9.4
248.20384	7.8
253.62836	7.9
337.08450	100.0
337.17148	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	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07203	0.6
55.01864	0.8
56.05039	1.9
56.96563	100.0
57.03440	3.6
58.04105	0.7
60.04509	0.6
60.05654	1.3
60.95843	0.6
61.02930	7.1
68.05017	1.0
69.03426	3.6
70.06592	4.6
70.98118	10.3
71.04987	1.3
71.95262	3.6
72.04517	2.9
72.08146	1.9
72.96056	1.4
73.02917	3.6
74.02421	0.7
74.06081	1.3
74.97599	6.3
75.04473	0.7
76.05116	2.3
80.96460	0.6
81.03436	1.8
83.04988	0.6
83.50543	1.7
84.04501	2.5
84.08146	1.9
84.96033	9.2
85.02900	7.3
86.06084	0.6
86.09717	0.6
87.04482	0.8
88.99157	14.7
91.03947	0.6
92.98618	1.9
95.01318	0.9
97.02887	3.4
97.06531	0.6
97.50256	0.6
98.97581	60.2
98.98647	1.7
99.04442	1.0
100.07594	0.8
100.99147	2.0
101.02351	0.9
102.05544	1.3
102.51273	0.7
102.97063	2.2
103.03940	2.3
107.00194	7.4
109.02859	0.9
110.07167	0.8
110.97561	13.2
111.51830	6.9
112.05068	0.8
112.07578	0.8
112.99132	4.7
113.03500	1.4
115.00704	0.7
115.03935	0.7
116.00255	0.6
116.07107	0.8
116.98618	62.1
118.04996	1.8
119.00172	3.0
119.01886	4.1
120.52342	7.7
124.50718	0.7
124.95476	2.5
125.01235	1.6
127.03915	2.5
128.98599	35.5
129.10252	0.7
130.05009	0.6
131.00169	16.9
131.01855	1.2
133.01726	5.6
133.03447	2.7
134.99660	50.1
135.00734	1.6
136.06042	0.8
136.07661	0.8
137.01221	1.2
138.05499	0.6
138.52286	1.1
140.00185	2.3
140.98541	3.3
142.02612	2.5
142.96521	7.4
143.00145	3.6
143.01891	1.1
144.98062	2.2
145.01674	1.2
145.03445	1.4
146.99649	48.1
148.06035	0.7
149.01218	24.8
150.01674	1.4
150.05498	0.6
151.02785	6.5
151.04013	0.7
151.04422	0.6
152.00259	0.9
152.07021	0.8
152.98560	2.1
153.00693	8.2
156.98073	1.2
157.01660	1.0
157.03473	0.8
158.01213	2.7
158.99651	13.7
160.07159	2.5
160.51855	1.2
160.97581	9.5
161.01198	9.4
161.02722	1.1
162.00706	1.2
162.99168	6.1
163.02788	2.3
163.04309	0.7
165.00719	40.5
167.01070	0.9
167.02289	6.3
170.01248	2.6
170.95978	2.6
170.99657	7.6
172.02751	1.5
172.97527	0.8
173.01196	2.4
173.02725	1.0
173.98367	2.2
174.99147	5.1
175.02789	5.7
175.04301	1.1
175.11745	0.7
176.02118	1.5
177.00708	20.8
177.02109	0.7
177.04181	1.1
177.09853	2.9
178.04848	3.3
178.98576	2.0
179.02280	4.0
181.00255	1.1
181.03772	0.7
183.01653	5.4
183.03137	0.7
184.97583	3.1
185.02681	0.9
186.00758	0.9
186.99107	1.3
187.02754	0.7
188.02338	3.1
188.97076	21.3
189.00705	19.9
189.04291	1.1
190.01149	0.9
190.98706	3.9
191.02277	4.8
191.03958	1.6
193.00206	9.2
193.01991	1.2
193.03802	5.7
195.01738	2.4
196.52785	0.8
197.02586	1.2
200.02354	1.4
201.00632	4.4
201.02286	0.7
202.98640	12.2
203.02078	3.4
204.01785	1.6
204.05916	1.0
205.00157	8.6
205.01891	1.1
205.03725	1.2
206.03140	1.9
206.98134	18.3
207.01764	18.8
207.03645	0.9
208.99765	0.8
209.03244	1.3
211.01126	1.0
211.04834	1.8
211.98627	0.9
212.02295	1.3
212.97076	2.1
213.03624	0.8
214.98500	1.1
216.08662	1.6
217.00229	5.1
217.03769	3.4
218.03319	1.6
219.01767	22.4
219.05150	1.0
220.99701	7.8
221.03256	1.9
223.01218	7.9
224.02460	0.9
224.99242	4.1
225.02718	1.6
226.00252	1.5
227.03870	3.5
229.03812	1.8
229.99794	0.9
230.03362	2.3
230.98112	21.6
232.99751	3.9
234.04362	1.4
234.06317	2.2
235.01094	5.6
235.04901	1.7
237.02812	53.7
239.00668	1.6
241.02238	0.9
242.03500	1.7
242.07440	1.3
244.99667	10.6
246.02875	0.9
247.01279	1.2
247.04742	1.0
248.99168	12.4
249.02858	1.9
251.04401	2.1
253.02397	0.8
253.99692	1.9
255.03854	6.2
260.04300	2.7
262.58453	0.8
263.00748	48.6
264.01138	1.0
267.00168	1.0
267.03809	1.3
269.05225	1.3
272.00665	1.1
275.04211	1.2
277.02271	6.0
277.05908	19.3
281.01813	11.3
281.05118	1.4
286.02350	4.8
286.05215	0.9
293.05457	1.4
295.06976	66.7
296.07361	1.6
304.03427	1.3
305.01794	2.8
313.08054	0.7
318.08658	4.9
323.06140	0.8
336.13995	0.6
337.08395	32.0
337.13226	1.2
337.16733	1.1
338.08810	0.7
355.09058	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	336.1917
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
50.74701	1.1
52.90400	1.0
55.05496	1.2
56.96577	0.9
60.05750	0.9
65.28617	1.2
67.05500	2.3
69.07059	1.0
70.06577	2.5
71.57196	1.3
79.05467	1.1
81.07047	0.9
82.03862	1.0
84.01195	1.0
84.04530	1.6
86.09708	100.0
91.05470	3.2
93.07036	1.9
95.08617	1.4
98.09678	1.2
99.04375	1.1
103.05451	5.4
105.07024	2.8
107.04958	1.9
107.08563	1.1
114.18990	1.1
119.08540	1.6
120.08110	72.7
129.06976	1.3
131.04951	2.5
131.08543	2.0
133.10098	1.6
137.05942	1.6
143.11801	78.4
144.10197	2.1
145.06242	1.1
149.06039	1.8
161.09656	2.0
161.13301	1.1
166.08644	28.2
171.11282	15.8
177.10262	6.7
205.09612	1.1
262.06369	1.2
262.17941	1.3
264.12253	1.4
277.08167	1.1
305.08017	1.2
310.25949	1.0
336.18005	2.4
336.21725	2.5
337.10440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64592	2.0
56.27135	1.8
56.92085	1.7
56.96563	95.5
59.96490	2.1
61.02949	2.0
70.52322	5.8
70.98113	21.8
71.95273	4.7
72.57340	2.0
74.97604	4.8
84.96030	12.7
88.99147	14.5
94.92509	1.9
98.21449	1.8
98.97580	100.0
107.00155	5.1
110.97570	27.5
112.99111	10.0
115.00712	2.9
116.98621	59.2
119.80350	2.0
120.52312	2.1
124.95481	5.3
128.98602	45.3
131.00153	17.1
133.01717	6.0
134.99661	21.6
136.03195	1.9
140.98576	6.3
142.96532	9.2
143.00198	3.8
144.98090	4.3
145.01869	1.9
146.99646	41.3
149.01187	13.7
151.02766	4.8
152.95007	2.4
152.98633	3.4
153.00667	2.7
158.99649	15.0
160.97577	5.2
161.01244	6.6
162.99185	4.0
165.00723	27.4
167.02307	4.0
170.96037	6.7
170.99648	8.6
174.99135	5.3
175.02805	4.9
177.00664	15.3
179.02298	3.3
180.48886	2.0
184.97607	6.8
188.97095	25.3
189.00713	19.1
190.98668	4.1
191.02319	3.5
193.00203	4.5
199.28009	2.1
200.02356	2.5
201.00682	3.0
202.98654	15.9
203.02267	3.0
203.54883	2.2
205.00232	8.4
205.03975	1.7
206.98158	19.2
207.01797	18.8
217.00220	5.4
217.03938	2.4
219.01793	24.0
220.99681	12.6
223.01230	9.2
230.98166	27.9
232.99670	2.7
235.01286	9.7
235.04935	3.2
237.02817	56.5
237.05177	4.1
244.99667	11.3
248.99213	13.2
249.02846	2.8
249.46164	2.2
253.02475	2.1
255.03914	5.4
260.04599	2.7
263.00732	57.1
267.04111	2.0
277.02332	13.3
277.05966	22.3
281.01758	14.1
286.02426	3.2
295.03534	6.3
295.06964	95.5
305.01804	4.9
318.08551	2.1
337.04358	3.5
337.08096	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	336.1664
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
53.20560	0.5
55.01876	0.6
55.05489	0.7
57.03432	1.2
67.05492	0.6
69.03426	1.5
69.07065	7.4
69.84499	2.9
70.06571	0.6
71.01357	0.7
73.02902	0.7
75.46564	0.5
79.05476	0.7
81.07071	1.2
83.08655	0.8
85.02892	1.5
86.09716	0.7
91.05455	1.2
92.72585	0.6
95.08620	0.8
97.06544	0.7
105.07057	0.7
115.03914	0.8
119.03591	0.6
133.06491	0.7
133.10120	0.7
136.06175	100.0
137.04555	1.2
137.05884	1.2
148.06171	36.1
159.11714	0.7
161.05998	0.8
204.12437	77.0
205.12679	1.5
234.06717	2.1
262.06281	2.0
262.14551	0.6
277.08551	2.0
290.05716	1.5
305.08069	3.2
305.19864	0.5
336.16623	21.9
337.10629	4.8
337.16571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92884	1.6
55.01868	3.1
55.05507	22.0
57.03431	4.6
57.07059	3.5
58.83704	1.9
58.99571	7.9
65.03926	2.3
67.01481	1.9
67.05503	32.7
69.03417	1.9
69.07068	21.1
70.72656	4.4
70.73018	2.3
71.04990	12.9
76.02233	11.7
79.05489	17.7
81.07048	70.8
81.07522	3.8
83.04977	4.9
83.08624	15.6
85.06541	18.7
86.99032	5.0
88.03997	3.7
91.05473	21.9
93.07043	24.3
95.04958	3.2
95.08600	86.7
97.06526	28.1
97.10168	8.1
97.26228	1.8
99.08095	13.2
101.01728	8.6
105.00094	5.4
105.07025	26.8
107.08584	13.8
109.06576	2.9
109.10140	10.4
111.08064	6.4
112.18626	1.7
113.09640	3.3
115.07567	2.7
117.07026	2.7
118.06517	2.3
119.08578	40.8
121.08887	3.2
121.10116	13.3
122.02711	12.4
123.08059	6.3
132.08072	3.2
133.10118	29.1
135.11684	19.0
137.05997	2.3
137.09610	3.1
137.13252	17.2
140.79689	2.0
144.08057	2.2
145.08812	2.4
145.10066	2.3
148.07594	12.9
149.13268	3.8
155.10663	2.0
161.13249	100.0
167.14284	3.2
176.07086	15.8
176.14351	3.8
179.14308	86.2
180.14699	2.4
185.15295	2.3
192.06572	22.4
194.08052	2.2
197.15363	58.6
197.17130	3.6
206.08234	1.9
215.16444	7.0
218.08215	13.2
229.12497	3.9
244.13194	3.0
244.16992	2.2
262.14438	6.7
266.10239	12.6
267.11072	6.2
268.11801	14.1
273.15189	5.3
274.17865	3.6
288.16016	4.3
290.05576	2.6
294.09186	3.5
300.15933	4.3
301.14670	1.9
305.08185	3.2
318.16910	11.3
319.15692	15.4
322.08148	2.0
336.10001	2.6
336.18073	39.8
336.22031	2.5
337.10623	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.34671	2.6
55.05512	22.1
57.03436	25.4
57.07060	3.3
65.03924	3.8
67.05504	100.0
68.79993	3.0
69.07065	25.1
71.56418	4.7
79.05487	46.5
81.07053	87.1
82.52247	2.9
83.08624	9.7
91.05470	22.5
93.07037	56.5
95.04947	6.5
95.08607	76.5
97.10155	3.5
105.07000	16.4
107.08586	25.5
109.10157	30.0
116.40874	2.9
117.07008	4.7
117.33241	3.1
119.08591	10.5
121.10134	20.3
123.11701	13.3
131.08542	5.8
133.10143	8.6
135.11688	13.7
137.13264	3.4
145.10092	4.3
147.11670	4.5
149.13254	9.1
161.13278	4.6
163.14819	4.4
164.53767	3.4
173.13281	5.9
187.14883	3.8
206.59918	3.5
208.10570	2.9
243.21074	3.4
261.22168	7.2
335.25772	84.9
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
53.03936	3.1
55.05271	1.5
55.05514	26.0
57.03435	27.8
57.07069	3.4
59.77555	1.3
60.76240	1.5
65.03920	3.4
67.05505	100.0
69.06724	2.0
69.07070	22.4
69.78497	6.6
69.78900	3.1
71.04977	2.7
79.05492	52.6
81.03419	1.6
81.07055	89.1
82.42796	1.4
83.04974	2.1
83.08614	10.8
84.32654	1.3
85.06542	2.9
91.05483	26.3
93.07044	56.9
95.04968	7.1
95.08608	76.7
96.08914	1.6
96.25336	1.3
97.06512	2.7
97.10153	3.9
99.08093	1.5
105.07027	18.4
107.08591	31.3
109.06491	2.9
109.10155	30.6
109.10906	1.7
117.07033	6.9
119.08572	14.1
121.10148	24.8
123.11702	8.8
131.08553	10.6
133.10135	11.1
135.11703	14.7
137.13231	3.5
145.10139	6.7
147.11687	8.7
149.13243	8.9
159.11679	6.0
161.13255	5.5
163.14764	1.6
173.13271	4.8
175.14868	2.8
177.16394	2.1
187.14769	2.4
219.97212	1.3
243.21056	4.9
261.22156	9.5
303.65744	1.5
311.99338	1.5
317.24817	3.2
335.25781	82.1
336.26117	2.9
346.63367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	5.8
55.05268	2.0
55.05509	28.6
57.03437	30.3
57.07064	3.2
65.03924	4.1
67.05502	100.0
69.06726	1.9
69.07069	24.3
69.75562	1.2
71.04986	2.1
74.50374	1.3
77.03895	1.4
79.05492	56.4
81.07053	97.0
82.86630	1.2
83.04967	3.0
83.08618	11.5
85.06534	1.3
90.06640	1.2
91.04978	1.8
91.05484	24.4
93.07040	55.0
93.07632	2.7
95.04983	6.2
95.08602	75.9
97.06519	2.6
97.10131	3.0
98.20732	3.7
105.07019	18.7
107.08592	28.4
109.06467	2.0
109.10146	29.8
111.08022	2.4
117.06994	4.1
119.08588	13.8
121.10132	21.6
123.11703	12.9
126.36642	1.3
131.08592	7.4
133.10149	11.8
135.11676	16.5
137.13269	1.7
145.10120	7.2
147.11661	6.4
149.13252	8.6
159.11684	5.3
161.13251	4.7
163.14880	2.1
173.13271	4.1
175.14828	1.6
187.14848	2.9
191.41211	1.3
209.34683	1.4
229.51599	2.0
243.21185	3.8
261.22171	6.8
317.24689	2.3
335.25778	83.7
336.26175	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	4.1
55.01872	2.0
55.05260	1.9
55.05511	25.1
57.03436	28.2
57.07071	2.7
65.03939	4.3
67.05505	100.0
69.07066	22.8
70.25739	5.7
71.04998	1.4
79.05494	51.7
81.03461	1.2
81.07056	94.2
82.01879	1.2
83.04987	1.8
83.08631	9.0
91.05484	25.1
93.07042	56.8
93.07636	2.7
95.04951	4.2
95.08607	67.1
96.08924	1.6
97.06535	2.5
99.08070	1.5
104.39100	1.3
105.07028	15.6
107.07876	1.6
107.08594	29.7
109.06492	2.9
109.09451	2.2
109.10158	25.8
109.60854	1.3
111.08128	1.3
117.07002	5.0
119.08586	11.1
121.10149	22.1
123.08047	2.3
123.11729	7.8
129.32112	1.4
131.08582	9.7
133.10133	8.5
135.11691	16.8
137.13271	3.5
145.10144	5.9
147.11716	6.1
149.13248	6.9
151.14838	1.4
159.11688	6.1
161.13257	5.3
163.14851	3.2
164.77553	1.5
165.12796	1.2
170.52254	1.2
171.96680	1.3
173.13237	4.8
175.14764	1.9
187.14766	2.7
201.16591	1.6
243.21101	3.8
261.22107	7.5
279.23303	1.5
301.09174	1.8
317.24936	1.6
335.25790	81.6
336.26093	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.96569	1.1
57.03429	0.9
67.05500	5.5
69.07055	2.1
70.90980	2.4
79.05478	2.7
81.07053	5.3
83.08590	0.8
91.05469	2.5
93.07044	4.9
93.30457	0.8
95.08588	4.9
95.53864	0.7
105.07026	1.8
107.08569	2.3
109.10138	2.0
117.07002	1.8
117.48058	0.8
119.08566	1.8
121.10117	1.4
122.03005	0.7
123.11651	0.9
129.07085	0.7
131.08530	0.9
133.10110	1.2
135.11679	1.1
149.09608	0.8
149.13240	0.9
173.13217	0.8
221.11497	1.2
249.38441	0.7
261.22116	1.0
279.62735	0.8
317.20972	1.1
335.21912	100.0
335.25491	4.7
336.22208	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05508	21.4
57.03440	17.3
57.07082	1.7
65.03944	4.3
67.05501	75.8
69.07063	18.4
69.32005	14.6
71.04993	2.9
79.05131	1.4
79.05487	46.2
81.07054	68.1
83.04988	2.0
83.08632	7.9
85.06541	2.5
91.05473	22.8
93.07041	48.3
95.04958	6.4
95.08605	53.6
97.06509	3.4
97.10193	3.0
99.47790	1.2
105.07025	13.2
107.08594	20.6
109.06496	2.3
109.10151	19.3
111.08073	2.0
117.07013	4.2
119.08590	13.1
121.10122	17.3
123.08107	1.6
123.11731	5.0
129.30426	1.3
131.08568	10.2
133.10123	10.2
135.11670	11.4
137.13298	2.8
145.10127	5.0
147.11708	5.2
149.13281	7.7
159.11713	3.8
161.13249	5.1
163.14818	2.3
173.13254	5.1
173.49094	1.3
175.14792	1.6
176.98169	1.4
243.14478	1.7
243.21098	4.2
261.19766	1.4
261.22052	7.0
317.24420	1.6
335.21902	100.0
335.25830	58.1
336.22363	2.6
353.21829	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	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05512	8.8
57.03434	9.2
57.07068	0.9
57.24559	0.9
64.82510	0.8
65.03926	2.3
67.05500	38.9
69.07066	8.8
69.78371	4.4
79.05486	19.5
81.07050	33.8
83.04969	1.0
83.08622	4.4
90.28584	0.9
91.05483	12.1
93.06475	1.5
93.07039	21.7
95.04954	2.2
95.08602	25.2
97.06521	1.5
97.10137	1.6
98.20755	1.6
99.08107	1.0
105.07041	4.9
107.08562	10.8
109.06535	1.3
109.10151	10.3
117.07001	2.1
119.08559	4.1
121.10123	7.4
123.11702	4.6
124.54997	1.1
131.08557	4.0
133.10150	3.7
135.11674	6.2
137.13219	0.9
145.10106	3.3
146.21239	0.9
147.11682	2.8
149.13240	3.6
159.11705	1.8
161.13295	2.3
161.91519	0.9
165.12794	1.0
173.13255	1.7
173.63271	0.9
195.09996	1.2
197.06905	1.0
217.74162	1.1
235.12927	1.2
243.21043	1.2
261.22144	2.3
266.17905	0.9
279.09802	1.1
286.83469	1.1
335.21890	100.0
335.25815	27.5
336.22147	4.1
341.11337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62451	0.8
55.05489	1.8
56.96557	1.0
57.07056	1.0
65.00513	0.8
67.05487	2.0
69.03434	1.8
69.07064	0.8
70.02038	1.5
70.02451	3.0
75.35198	0.7
79.05453	1.0
80.27537	0.8
81.03417	1.6
81.07047	2.4
86.09700	31.0
91.05460	2.7
93.07030	2.4
95.08575	3.8
97.02878	1.0
103.05468	4.7
105.07019	1.5
107.08608	1.1
109.10170	1.3
111.08134	0.7
120.08097	100.0
121.06479	4.2
123.08028	1.8
127.03957	1.5
128.10693	11.3
131.04930	1.3
133.10152	1.5
135.08037	1.0
151.07559	0.9
153.21515	0.8
155.34514	0.8
156.10229	1.8
163.07573	2.8
180.10188	38.4
218.14746	0.8
255.24904	0.8
268.11987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1488
Annotation	3,3'-Dihydroxy-4,4',5,5'-tetramethoxybibenzyl
Peak:m/z	Relative Intensity
55.01872	2.6
55.05507	1.8
57.03436	2.2
57.07070	0.7
65.03927	0.9
67.05501	4.2
68.99795	2.3
69.03423	1.7
69.07056	1.2
70.06596	1.5
79.05484	4.6
80.74469	0.6
81.03413	1.6
81.07052	3.9
83.04971	2.1
85.02900	1.9
91.05465	5.4
93.07043	5.1
95.04961	4.5
95.08598	1.5
97.02881	1.0
97.06539	2.7
99.04483	3.4
103.05490	2.1
105.07017	2.7
105.14372	0.8
107.04948	9.6
107.08598	2.1
108.05744	1.0
109.06504	1.1
109.10193	0.7
111.04425	6.2
111.08092	1.8
115.05438	1.8
117.07027	1.4
118.49670	0.7
119.08568	1.5
121.06500	9.9
121.10162	1.5
123.04423	100.0
124.04826	1.5
125.05984	2.1
127.03899	4.0
129.07037	1.6
131.04933	3.0
131.08578	1.5
131.44818	0.7
132.05687	0.9
133.06477	3.7
135.08035	0.8
136.05217	5.1
137.05952	1.4
138.06758	2.0
139.07545	6.2
141.22862	0.7
145.02921	0.9
145.06459	1.5
145.10074	2.1
146.07217	0.9
147.08009	1.9
149.05984	18.0
151.07541	18.3
153.05479	1.8
159.04407	0.8
160.05241	1.4
161.01416	0.8
161.05981	22.2
162.06461	1.3
163.07564	2.6
164.08301	1.0
167.07031	97.5
168.07671	4.6
169.08595	1.9
175.07600	5.3
176.08327	57.3
177.05521	3.8
177.09039	4.4
177.12781	0.7
179.07060	2.0
179.10623	0.9
181.08589	30.0
181.10191	1.6
185.05959	1.1
185.13202	0.8
191.06985	1.0
192.07802	4.9
205.08650	1.4
207.10162	42.3
211.09622	1.6
233.11560	1.0
237.02852	0.7
245.13629	1.8
260.12805	0.7
261.13092	3.3
317.13828	1.5
335.14566	2.7
335.23282	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	334.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13796	0.3
55.05526	0.3
56.05033	5.0
57.07072	5.7
58.06598	8.4
60.04523	1.9
61.46587	0.3
64.99717	0.3
66.99220	0.4
67.05486	0.4
70.06566	1.0
71.02444	0.8
71.08629	2.8
71.66657	0.3
72.08144	3.1
74.06075	5.6
75.04472	0.4
85.10178	0.9
86.06071	5.1
87.04472	0.4
88.07629	37.9
89.06011	0.5
89.07957	0.4
92.14619	0.3
100.07593	1.6
102.09154	0.6
104.07095	4.0
118.08639	1.4
125.35963	0.3
132.10199	9.0
162.11238	2.5
164.77002	0.4
166.10754	3.3
176.62947	0.4
210.22198	0.7
226.25288	0.4
228.23279	0.5
242.24776	30.0
243.25090	1.0
254.24753	1.2
272.25763	0.5
286.27408	12.0
287.27704	0.5
316.28339	1.9
334.21204	3.7
334.29492	100.0
335.29776	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.5
67.05500	4.6
69.07066	100.0
70.70552	2.2
79.05473	1.7
81.07053	6.1
91.05507	0.9
92.04986	4.4
93.07059	1.6
94.06558	4.3
95.04944	2.2
96.08121	1.4
97.06532	14.8
105.07086	0.9
105.42520	0.8
105.65133	0.7
108.04453	0.9
109.06500	1.2
117.07022	1.4
119.03676	0.8
122.06019	8.8
124.07573	2.6
125.05965	1.4
131.07281	1.3
132.08168	1.1
137.05977	2.6
138.05515	5.9
138.27486	0.7
140.07063	8.2
141.07811	0.8
142.07741	0.9
144.08080	2.9
145.08870	3.2
145.10077	1.6
146.09619	3.2
147.06819	1.2
148.03972	1.2
150.05498	73.8
157.08849	3.2
159.08087	0.9
159.10480	1.7
160.07512	1.2
160.11261	1.0
161.08406	3.9
162.09120	2.4
164.03409	1.2
166.04990	30.7
168.06580	1.3
172.07405	1.2
172.11246	4.1
173.08322	2.9
174.12784	5.3
176.03447	7.6
178.05002	2.3
179.04605	0.9
182.04436	0.8
185.08444	1.8
186.05496	0.9
186.07648	2.1
186.09177	1.3
188.07184	0.8
188.10698	1.8
190.08607	1.3
190.12262	3.4
194.04483	3.4
198.07724	1.8
199.06236	0.9
200.07121	1.3
200.10709	6.8
202.12263	9.0
213.10275	1.3
216.10170	3.0
218.08354	1.4
218.11746	25.0
219.12013	1.4
228.10190	16.5
228.12305	1.2
229.13467	1.6
231.15672	0.9
234.11241	3.2
243.11331	1.5
244.09700	2.4
245.12840	1.9
246.11243	24.3
254.08299	1.0
255.11404	1.0
256.09592	1.6
261.12357	1.3
271.07959	0.8
271.10721	5.3
272.09192	4.0
273.12283	4.3
274.10803	3.1
287.10300	8.9
289.11786	9.5
290.10126	1.0
299.10345	5.2
317.11301	23.5
335.12323	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05485	0.8
56.96549	1.8
57.72960	0.5
62.06077	0.8
67.05474	0.9
69.07025	1.0
69.70390	3.2
69.70794	0.9
79.05495	0.9
81.07034	1.6
85.02896	0.8
91.05436	1.6
93.07011	1.8
95.04984	0.9
95.08598	1.0
98.21607	0.8
98.97573	1.9
105.07011	1.7
106.06562	0.7
107.04932	1.0
109.06510	0.6
116.98598	2.8
117.05729	1.0
117.07058	0.8
118.06521	8.0
119.08537	0.8
120.08083	1.1
128.98604	2.0
130.06516	1.0
131.07304	1.6
131.08577	1.0
132.08101	4.3
134.09637	0.8
134.99652	2.2
136.59328	0.7
142.15854	0.7
144.08057	0.8
145.10106	1.0
146.09631	2.4
146.99628	1.9
160.11310	1.1
161.01221	1.3
162.09138	6.8
162.12651	0.6
172.11133	0.8
174.09157	0.7
174.12827	0.7
176.10698	7.7
177.00688	1.3
177.05531	0.6
177.11446	1.0
189.00764	0.7
190.12224	3.9
201.00803	0.9
204.13737	0.8
211.94125	0.6
218.15448	0.7
219.01697	2.6
237.02789	8.0
244.13419	1.3
244.20506	0.9
255.03839	1.4
260.04395	1.0
260.12860	3.2
261.02829	1.2
272.20056	12.9
279.03864	4.3
290.21146	3.9
302.05463	0.8
316.22684	1.2
334.23724	100.0
335.23923	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	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73529	0.4
55.05499	1.8
56.05038	2.8
57.03407	0.5
67.05502	6.2
69.03425	3.6
69.07050	2.0
70.06593	6.9
71.57723	0.9
72.08139	0.5
79.05470	2.2
81.06586	0.8
81.07049	10.0
83.08589	1.3
84.04472	1.0
84.08109	0.8
85.02910	0.8
86.06057	16.9
86.09702	6.4
87.03925	0.7
87.04460	14.0
87.10066	0.4
91.05469	5.8
93.07026	1.5
95.08579	0.8
95.86446	0.5
96.08102	2.0
96.92440	0.6
97.06505	0.8
97.10162	0.5
98.06048	33.1
104.58576	0.5
105.07005	3.0
107.08565	2.2
109.02840	0.6
109.10156	1.4
110.07139	0.6
112.07586	2.1
119.08516	0.5
119.34789	0.6
123.11686	2.1
124.07580	10.7
127.03923	0.6
130.06526	3.2
132.04428	1.1
133.10121	5.5
135.08067	0.7
137.06032	0.5
149.02266	0.7
150.05481	0.6
151.11177	10.2
151.48038	0.4
153.01810	2.0
153.05464	0.6
157.07603	1.7
158.06007	3.9
158.11778	0.6
166.68367	0.5
167.06972	0.7
168.13838	7.7
175.08640	4.6
186.14914	1.7
195.02725	0.6
202.10870	1.7
203.08167	1.5
207.06497	0.9
208.16914	0.8
221.09198	8.2
225.02129	0.7
236.16425	13.8
261.07590	0.7
265.05157	1.4
271.10809	0.7
272.18542	100.0
273.18942	3.5
287.10254	0.9
289.06918	1.2
316.21143	18.7
317.06558	0.6
317.11139	0.8
317.21552	1.1
319.04004	0.9
334.06354	4.9
334.22253	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	334.1646
Annotation	Isosinococuline
Peak:m/z	Relative Intensity
55.01813	0.6
55.05467	1.1
56.96519	0.5
67.05434	1.0
69.03362	0.5
69.54626	2.9
70.06502	0.5
79.05412	1.6
81.06989	1.0
84.04440	0.5
84.08105	0.5
91.05476	2.6
93.06976	1.1
95.04905	0.6
95.08522	0.8
97.02830	1.1
98.21400	0.7
98.98363	0.6
103.05406	0.5
105.06951	1.9
117.05667	1.2
117.06924	1.5
118.06532	4.1
119.08627	2.2
120.08031	0.8
121.10072	0.5
126.23623	0.4
129.06911	0.7
130.06450	2.0
131.07222	2.0
131.08475	0.8
132.08073	2.3
133.08844	0.5
133.10031	0.8
134.09569	0.7
137.05901	1.0
142.15854	0.7
144.08040	3.0
145.08740	1.4
146.09610	2.3
147.04337	0.7
156.07870	0.5
158.05981	2.9
158.09581	1.4
159.10315	0.8
159.11520	0.6
160.11111	1.1
167.07059	0.4
172.07515	1.3
172.11162	1.0
174.09062	0.9
176.14337	13.2
177.05429	0.7
186.09068	1.7
186.12656	0.6
200.07031	0.5
200.14290	2.4
202.04912	3.0
212.07019	0.5
214.15823	1.5
216.06508	1.8
216.13829	25.7
217.07263	0.7
217.14018	1.1
230.08180	1.1
242.15419	1.9
244.13313	28.8
244.16916	5.7
245.13632	0.8
258.14877	0.8
260.12811	100.0
261.13101	4.9
270.14886	3.2
274.14331	1.1
278.13861	0.9
286.14395	6.7
288.15915	3.3
298.14581	1.0
316.12140	1.0
316.15460	10.0
316.19208	0.5
319.09714	0.5
334.13593	2.8
334.16550	49.8
334.23706	1.4
335.16901	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
61.03221	0.7
67.05484	2.3
69.14191	0.8
70.06593	1.0
70.07233	3.4
77.00898	0.9
79.05457	2.0
81.03393	0.7
81.07044	3.1
88.07622	1.8
91.05464	2.1
93.07037	2.5
95.08610	2.3
98.21502	1.1
98.98461	10.4
105.07027	2.9
107.08601	1.1
117.07034	0.7
119.08556	2.1
121.10176	1.3
131.01843	0.8
131.08536	0.9
133.10136	1.5
145.10176	0.8
147.11621	1.0
157.10088	0.9
166.42769	0.8
176.98996	1.2
201.09604	0.9
231.10651	0.8
235.13062	2.1
236.94159	0.7
253.12851	1.2
261.14694	2.1
264.11884	0.9
269.12216	0.9
271.28287	1.5
296.78528	0.9
315.18298	0.9
333.20343	100.0
333.31601	4.6
334.20538	2.8
334.29483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.05493	10.2
56.05028	4.6
56.96560	3.7
57.03432	4.9
64.07254	3.0
67.05486	3.2
69.03422	8.4
69.07062	3.7
70.06586	8.4
71.04971	6.5
71.56626	4.4
72.08149	8.3
73.02908	3.2
77.15256	2.8
79.05486	5.8
81.03428	4.5
81.07048	26.0
83.08600	7.8
84.04507	6.0
84.08135	3.4
85.02901	21.0
85.06524	3.4
86.09692	9.5
87.04478	4.7
93.07061	4.5
97.02866	8.0
97.06512	3.4
98.09683	5.5
108.08073	4.7
109.02848	4.9
109.06519	26.0
110.05962	3.7
110.07102	3.7
112.07544	4.3
116.98639	4.0
126.09158	55.6
127.03865	4.5
127.07563	29.1
130.08633	7.0
136.07558	4.5
141.10156	4.3
142.10645	4.3
145.28059	3.4
147.04384	3.3
154.08604	59.1
155.06998	46.6
172.09680	100.0
203.07115	3.4
231.06380	4.2
234.98967	3.4
245.66226	3.3
278.27945	3.5
331.55835	3.6
334.09045	8.9
334.13297	5.0
334.18500	4.2
335.03738	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	333.2033
Annotation	PGB3
Peak:m/z	Relative Intensity
50.50485	0.9
56.24009	0.8
64.26424	0.9
67.24517	0.8
70.32512	3.2
78.98182	0.9
79.00964	0.8
98.98457	2.8
114.51804	1.0
147.11674	0.9
151.29152	0.8
183.67981	1.1
247.13089	3.7
311.48047	0.9
315.19293	8.6
333.20346	100.0
334.20618	2.4
347.49545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64023	0.9
54.19811	1.0
55.01852	1.1
55.05505	2.8
57.03432	7.7
67.05504	9.6
69.07062	3.2
71.57735	1.0
71.58113	1.6
76.54877	1.1
79.05488	12.0
81.07059	12.0
83.08601	1.3
91.05476	11.0
93.07038	11.5
95.04994	1.9
95.08596	5.8
98.98461	6.4
105.07017	15.8
107.08594	6.3
109.10155	2.1
109.32778	1.3
117.07001	3.7
119.08571	12.0
119.35064	1.0
121.10146	6.2
129.05455	2.0
129.06996	2.1
131.08571	5.2
133.10135	7.0
135.11668	5.3
143.08607	1.9
145.10136	3.2
147.11671	6.0
149.13284	1.9
155.08627	1.2
157.10161	1.7
159.11717	3.9
159.97595	1.1
161.13293	3.6
163.14825	1.6
171.11699	3.2
173.13321	3.1
175.14905	3.4
185.13310	2.2
192.47517	1.5
199.14839	1.6
208.02553	1.2
241.19504	8.5
259.20663	5.8
315.19559	1.5
315.23148	1.3
333.20419	100.0
333.24280	16.1
334.20721	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05499	0.8
57.03420	1.3
62.15986	0.3
67.05512	1.9
69.07059	1.1
69.18054	0.3
71.58363	0.6
71.58775	0.4
77.00902	0.7
79.05491	2.5
81.07052	2.6
91.05465	2.1
93.07043	2.2
93.63589	0.3
95.04962	0.6
95.08602	1.5
96.54281	0.4
97.06505	0.4
98.98450	3.2
105.07028	3.0
107.08575	1.4
109.06480	0.5
109.10135	0.7
117.07009	0.7
119.08564	2.0
121.10145	1.2
128.06230	0.4
129.05492	0.4
129.06989	0.5
131.08551	0.9
133.10109	2.2
135.11688	1.1
143.08502	0.4
145.10156	0.8
147.11717	0.8
149.13278	0.6
159.11661	0.8
161.13228	0.4
167.18256	0.4
173.13242	0.5
185.06583	0.4
199.14830	0.5
243.14424	1.5
259.20563	0.7
261.15475	0.7
263.12494	0.6
281.12338	0.4
282.95337	0.4
289.09702	0.4
315.23215	0.4
333.20340	100.0
334.20602	2.2
351.20148	1.5
354.07196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
52.00700	2.6
53.03946	4.1
55.01868	6.2
55.05497	5.3
57.03426	11.1
57.07067	23.3
59.05002	13.9
61.02913	12.2
67.05494	14.4
69.03426	43.0
69.07063	16.7
71.04974	7.6
71.56568	3.4
73.02911	7.2
79.05485	4.4
81.03404	16.8
81.07047	9.3
83.04968	5.4
83.08595	8.4
84.04497	3.8
85.02901	100.0
85.06536	16.4
86.09686	15.8
87.04462	8.6
90.64520	3.1
91.03922	7.9
91.05479	5.7
93.07047	14.3
93.84502	2.4
95.04941	8.3
95.07976	3.4
95.08601	69.2
97.02892	27.9
97.06516	10.5
98.64738	2.7
98.98457	19.6
99.04443	7.7
99.08098	17.3
105.07030	3.6
107.08551	15.1
109.02869	11.7
109.06494	12.9
109.10154	21.8
111.08058	12.1
111.11642	3.1
113.08881	5.0
113.09644	75.1
116.42607	2.7
116.98613	4.5
119.08598	3.0
120.08058	2.5
121.10136	3.1
127.03917	16.8
127.11189	55.3
129.66103	2.5
130.04976	5.2
131.08528	4.8
135.11676	18.5
137.05980	6.2
137.13252	7.3
139.03960	2.6
145.04932	21.0
147.11713	3.9
151.03889	4.6
152.07047	3.5
153.01830	3.0
153.05557	2.9
153.12729	93.7
155.14319	9.8
156.06682	3.0
167.07047	5.8
171.13788	37.8
172.45316	2.8
173.12762	4.4
174.07616	5.6
177.12744	4.7
187.11194	16.6
195.13818	3.3
272.11523	3.0
315.20090	3.6
318.03503	6.5
322.18491	2.6
333.05801	23.3
333.09183	2.6
333.14340	3.5
333.18115	4.3
333.24872	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05499	1.7
56.96561	42.5
57.03415	2.6
57.07037	0.9
67.05498	3.1
69.07059	1.5
71.32227	1.1
71.94878	1.0
71.95256	7.9
72.96030	1.3
74.97601	3.7
79.05480	4.4
79.94044	0.6
81.07040	4.5
83.08572	0.7
84.96011	3.0
86.39951	0.7
86.97572	1.1
88.07635	1.3
91.05470	4.1
92.98624	1.5
93.07027	4.4
95.04946	0.8
95.08598	3.4
97.96803	1.1
98.97567	0.7
98.98465	5.4
100.99083	0.7
105.07014	5.4
107.08585	1.9
109.10126	1.8
110.97556	3.5
114.68706	0.6
115.97816	2.5
116.98559	1.6
117.06986	1.9
119.08544	3.4
121.10136	2.6
123.01179	1.8
128.98592	14.3
129.05463	1.1
131.00032	2.3
131.08620	1.3
133.10117	3.0
133.98848	2.3
134.99615	1.6
135.11705	0.7
137.02737	1.7
140.98431	2.8
141.02214	1.9
142.68912	0.6
143.00098	1.4
145.10042	0.7
146.99632	28.1
147.11685	1.0
149.01102	1.1
152.00015	0.6
153.99205	0.7
155.00000	0.8
155.03775	3.0
157.10066	0.7
159.03232	0.8
159.11664	1.5
161.01166	5.7
161.13292	1.0
165.00694	8.0
166.99976	1.2
169.05322	1.1
170.01224	2.0
171.03241	1.3
173.04813	0.8
173.13371	0.8
174.98947	1.9
175.02750	1.1
175.14862	0.8
179.02278	3.2
179.05910	1.2
181.05331	0.9
185.04803	1.1
187.02765	1.3
188.02272	0.8
189.00537	1.7
189.04344	2.8
192.17729	0.7
193.03850	0.9
199.06361	0.9
203.01962	0.8
203.05859	2.2
217.07341	0.7
222.04214	1.1
225.07867	1.3
231.09105	0.8
232.45439	0.7
239.09592	0.9
241.11011	1.5
241.19450	1.3
243.09087	1.2
244.09888	0.9
245.08211	0.8
245.10611	2.4
245.28656	0.7
252.10197	0.9
255.12747	0.7
259.12198	1.5
259.20456	1.2
263.09604	5.6
264.10251	1.2
270.11285	0.7
277.11047	1.2
281.10550	1.6
283.12247	0.9
285.11578	0.8
285.29803	1.1
303.12595	3.0
313.14960	1.5
315.16254	51.8
316.16605	1.4
317.14166	0.9
331.15747	2.7
333.17322	100.0
333.24103	5.3
333.31921	3.7
334.17529	3.3
351.18341	21.0
352.18542	1.0
356.18927	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	333.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
55.34340	0.8
56.96563	40.7
60.52798	0.9
67.05489	3.3
69.07085	1.8
71.95266	5.7
72.96062	0.9
74.97604	2.7
78.50550	0.9
79.05486	3.0
81.07037	3.3
84.96023	1.7
86.97569	1.0
88.07594	1.2
90.78956	0.9
91.05446	2.9
92.98615	0.9
93.07044	2.5
95.08598	1.9
97.96805	2.0
98.20767	2.8
98.97540	1.5
98.98464	5.2
102.97041	0.9
105.07011	3.9
105.12051	0.9
107.08605	2.1
109.10110	0.8
110.97545	5.2
115.97823	1.9
116.98582	1.4
117.06989	1.8
119.08555	3.6
121.10120	1.9
123.01205	1.8
128.98601	16.8
131.00070	2.3
131.08533	0.9
133.10098	2.7
133.98834	2.1
135.11707	1.0
140.98453	1.8
141.02208	2.0
143.00075	1.3
146.99638	25.6
147.03290	1.1
147.11630	1.1
155.03807	1.6
157.01640	1.0
161.01224	2.9
161.04814	1.0
165.00705	4.9
167.00032	1.7
169.01669	1.5
169.05388	1.5
170.01245	1.6
171.03154	1.0
171.11691	1.0
173.13168	1.0
174.99007	0.8
179.02217	2.2
181.05402	1.0
183.06874	1.1
187.02798	1.2
187.06393	1.0
189.00446	2.0
189.04350	3.5
193.03792	1.6
203.05908	2.2
219.03354	0.9
227.09508	1.0
229.43027	0.9
239.09453	1.1
245.10561	1.9
259.20526	1.3
263.09641	4.3
264.10468	1.2
265.11090	1.3
270.11447	1.9
277.11115	1.9
281.10550	1.6
299.94803	0.9
303.12701	2.8
313.14685	1.2
315.16269	50.0
323.78232	0.9
331.15753	3.9
333.17346	100.0
333.24039	4.1
333.32043	3.0
334.17630	4.4
349.16763	1.0
351.18423	21.9
356.18936	17.2
357.19504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97102	0.6
55.01876	0.7
56.05025	1.0
56.96561	0.8
57.30754	0.7
64.73953	0.5
69.03426	1.1
70.06541	1.0
70.06927	3.1
72.04508	0.7
72.08123	0.7
76.05123	0.8
84.08108	1.1
86.09731	1.1
87.80564	0.7
91.05482	1.1
95.04909	0.9
98.98460	8.1
108.02115	0.8
109.02854	2.3
111.00751	0.7
116.98680	0.7
121.02892	0.6
123.04386	1.2
130.06514	1.3
137.02356	1.0
139.03897	1.3
146.05963	1.4
153.01839	5.0
153.42464	0.7
165.05441	1.8
169.07578	1.7
171.09906	1.5
176.98811	1.0
197.07016	4.1
205.04959	1.4
206.05711	1.4
208.03709	2.0
219.02911	9.8
233.04401	4.7
234.05219	1.2
243.02872	1.4
243.07672	1.6
244.03661	1.9
245.04301	1.3
247.02385	1.4
251.08060	0.8
261.03897	2.5
273.03912	0.9
273.08624	1.6
289.03421	2.1
290.04153	3.6
301.03220	3.0
315.09656	5.7
318.03690	28.6
319.03934	0.9
333.02658	1.4
333.06137	40.0
333.10788	5.1
333.15149	100.0
334.06308	2.5
334.15466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
55.05508	9.5
56.05024	5.0
56.96556	3.8
57.03429	5.6
58.02947	2.3
58.66042	1.5
60.04519	7.8
67.05495	3.2
69.03433	12.7
69.07047	1.7
69.87372	1.4
70.02947	5.4
70.06583	5.1
70.46158	3.2
70.85548	1.5
72.07753	2.6
72.08155	52.5
73.02892	1.8
74.06052	2.0
78.43289	1.6
79.05486	2.8
81.03410	3.0
81.07053	8.8
84.04492	6.1
84.08138	21.7
85.02908	11.6
85.06532	2.5
86.09702	7.3
91.05473	1.7
95.00766	3.1
95.01327	39.1
96.04492	2.1
97.02904	2.7
98.06039	10.1
98.09701	8.5
98.98465	22.8
99.09203	3.4
100.03974	3.3
100.98912	1.7
101.02360	3.4
102.05514	2.4
103.03950	8.7
110.06059	4.4
111.50209	1.5
112.03957	15.9
113.02389	13.6
115.04997	2.2
115.08744	1.6
116.98667	2.0
116.99473	1.5
120.06646	1.9
123.05540	2.2
124.07615	2.5
124.89555	1.8
127.03903	2.1
128.03467	5.0
129.10237	4.6
130.04982	9.8
131.07022	1.5
132.03003	1.5
136.06108	2.5
137.05923	1.8
138.01878	3.6
138.05489	8.1
141.10219	100.0
146.04480	7.5
148.06042	13.1
155.04475	4.0
156.06577	8.3
158.06030	1.8
159.11281	3.6
174.03960	6.1
176.98923	2.0
191.06549	1.9
192.04955	3.0
192.10153	4.0
202.08308	1.8
209.09187	6.8
210.11244	3.9
225.04524	1.9
235.10803	6.8
241.06049	1.7
245.11320	3.5
253.11833	17.2
269.11295	3.6
271.12943	2.0
289.13867	10.6
297.10715	5.8
315.11993	5.6
333.12878	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0966
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03951	0.9
55.01866	0.6
55.05502	0.8
61.41236	0.5
65.03944	0.6
67.05500	3.9
68.99786	4.3
69.03433	0.6
69.07041	1.0
79.05486	2.1
81.03425	4.4
81.07057	1.7
83.04980	5.7
90.00558	0.5
91.05478	4.4
93.07036	0.9
94.04201	0.6
95.04972	8.2
95.08588	0.9
97.96095	0.5
98.98474	4.5
103.05497	0.7
105.07025	1.8
107.04951	1.3
107.08594	1.2
109.02877	1.5
109.06496	1.2
111.00805	0.5
111.04430	1.4
117.06923	0.6
119.04930	3.7
119.08559	1.0
121.06475	0.6
122.03648	1.1
123.04427	39.5
125.05968	0.9
127.03888	0.9
131.08583	0.5
133.02864	2.5
133.06464	1.9
135.04343	0.9
135.07993	0.7
137.05975	9.1
139.03897	5.0
147.04381	7.7
149.02301	3.2
151.03897	100.0
151.07535	1.6
152.04248	2.2
153.01840	4.4
153.05476	1.3
154.06212	3.1
155.07024	1.2
157.08894	0.5
157.10080	0.6
161.05965	2.4
163.03862	3.3
163.07666	0.6
165.05476	10.1
167.07039	28.2
179.03394	15.0
179.06996	4.6
180.07817	8.2
183.06586	0.8
199.07764	0.5
207.06519	0.7
212.04642	0.6
213.05449	2.1
224.74129	0.5
245.08110	4.1
255.06409	0.8
257.04282	0.7
273.07660	3.1
283.02240	0.6
305.10239	5.7
315.08591	2.3
315.19449	0.8
333.09641	17.4
333.20914	0.6
334.10031	1.2
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	Laricitrin
Peak:m/z	Relative Intensity
55.01859	0.6
55.05497	0.3
56.05026	0.4
57.07078	0.3
57.63073	0.2
65.03941	0.7
67.01834	0.3
67.05483	0.7
68.99786	2.2
69.03428	1.3
69.07051	0.4
71.04977	1.1
79.05482	1.2
80.02637	0.3
81.03401	1.0
81.07044	1.6
81.22720	0.2
83.04961	0.3
85.02907	0.5
86.09702	1.5
90.42967	0.3
91.05479	1.8
93.03409	0.3
93.07034	1.5
95.04939	0.8
95.08630	0.6
97.02882	0.5
97.06516	0.5
98.98467	1.8
103.05466	0.2
105.07033	1.4
107.04949	0.6
107.08617	0.4
108.02064	0.9
108.08082	0.3
109.02882	2.7
109.10144	0.3
111.00793	2.2
111.04433	0.5
111.08052	0.3
117.07026	0.6
117.73851	0.3
119.08627	0.7
120.08125	0.4
121.02842	0.8
121.06476	0.5
121.10136	0.9
123.04423	0.7
126.03119	0.5
127.03869	0.3
128.06177	0.4
129.09093	0.4
130.06511	0.3
131.08562	0.5
133.02779	0.5
133.10077	0.3
135.04341	0.4
137.02315	2.1
138.03082	0.6
139.03899	4.4
139.11179	0.3
141.05428	0.3
141.06973	0.4
143.08543	0.4
145.10126	0.3
147.04404	0.5
149.09618	0.5
151.03903	0.8
152.00983	0.4
153.01822	14.8
153.05365	0.4
153.38475	0.3
154.02309	0.3
157.10115	0.4
158.06090	0.3
161.05992	0.8
161.09613	0.4
163.03931	0.5
165.01834	3.4
166.02573	1.0
167.03380	3.2
167.07047	0.6
169.01285	0.5
170.02075	0.4
171.04393	0.5
173.09706	0.4
173.13159	0.3
174.07639	0.5
175.03868	0.4
177.05508	0.7
179.03392	1.2
183.02876	1.2
183.11592	0.4
184.07379	1.0
187.11104	0.3
189.05447	1.2
191.03334	0.3
192.04156	0.3
193.04967	1.6
195.02827	0.3
195.12082	0.3
196.51408	0.3
199.03838	0.4
200.04701	0.4
203.03357	0.6
203.08270	0.4
203.12704	0.5
205.04982	1.2
206.05785	1.6
207.02863	0.6
207.06575	0.4
208.03717	2.5
210.01443	0.3
216.04250	1.8
216.12238	0.3
217.04948	7.1
219.02901	10.5
220.03659	0.4
221.04388	0.6
227.03355	0.5
229.04942	0.4
229.12207	0.8
231.02850	0.4
231.06448	0.6
232.03549	0.3
233.04440	4.6
234.01581	0.4
234.05196	1.7
237.02885	0.3
241.04919	0.6
243.02907	1.8
244.03668	4.1
245.04445	8.9
247.02321	1.2
255.02907	0.7
259.06113	1.7
261.03848	2.7
262.04550	0.7
269.04208	0.3
272.03140	0.9
273.03925	5.7
277.07095	1.4
287.05453	2.2
289.03427	5.2
289.14536	0.3
290.04123	3.3
300.02554	1.0
301.03412	11.6
302.03888	0.6
304.05670	1.2
315.04944	0.6
315.13187	0.6
318.03702	21.8
319.04092	0.6
333.06024	100.0
334.06436	2.1
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	Allopatuletin
Peak:m/z	Relative Intensity
55.01862	0.3
55.05479	0.3
56.05016	0.3
56.96544	0.4
65.03936	0.5
67.01865	0.3
67.05488	0.2
68.99775	1.8
69.03413	0.5
70.06580	0.7
70.12231	1.3
79.05485	0.6
81.03403	0.8
81.07059	0.6
83.04956	0.4
84.04485	0.3
86.06058	0.6
86.09687	0.3
87.04457	0.7
91.05466	0.7
95.04948	0.6
97.06450	0.3
98.06032	1.1
98.98466	2.1
99.06400	0.5
105.03378	0.5
105.07001	0.5
107.04939	0.3
108.02090	0.9
109.02877	2.3
111.00791	2.1
111.04412	0.4
121.02878	0.6
121.06524	0.5
123.04410	1.0
127.03886	0.4
133.02838	0.3
137.02327	2.1
138.03075	0.7
139.03906	3.6
140.04678	0.4
147.04402	0.7
150.09865	0.3
151.03856	0.6
153.01814	13.2
153.05397	0.3
157.04990	0.3
157.06367	0.3
161.06010	0.5
163.03961	0.4
165.01811	3.3
165.05493	0.3
166.02615	1.2
167.03380	3.2
167.07076	0.9
170.02112	0.4
171.04413	0.4
175.03931	0.6
177.05412	0.3
179.03436	1.4
183.02914	1.0
189.05443	1.3
191.03357	0.3
193.04974	1.4
194.02000	0.4
195.02870	0.5
201.05328	0.3
203.03430	0.7
205.04922	1.6
206.05672	1.3
207.02892	0.6
208.03671	1.8
215.03716	0.4
216.04210	1.3
217.04941	7.0
219.00702	0.5
219.02875	9.9
221.04402	0.4
227.03384	0.5
229.04996	0.4
231.02985	0.3
231.06328	0.3
233.04419	4.4
234.01636	0.4
234.05247	0.9
237.02705	0.3
241.04964	0.5
243.02899	1.9
244.03651	3.7
245.04422	7.6
247.02344	0.9
253.16281	0.7
255.02849	0.7
257.04572	0.3
259.06033	2.1
261.03925	2.4
262.04694	0.7
272.03217	0.6
273.03906	6.3
277.07089	1.6
283.02344	0.4
284.03278	0.4
287.05457	1.9
289.03409	4.1
289.18295	1.1
290.04126	2.5
300.02625	0.6
301.03397	11.8
303.04935	1.1
304.05707	1.0
315.04749	0.5
315.19989	2.0
317.02682	0.3
318.03680	15.9
333.06015	100.0
334.06277	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
55.01841	0.8
55.05493	0.6
56.05045	0.6
57.03423	0.5
61.01780	0.4
62.75234	0.5
67.05490	0.6
68.99786	1.7
69.07060	0.6
71.04993	0.4
71.56754	1.0
81.03407	0.9
85.02924	0.8
85.69955	0.5
86.06041	0.9
86.09692	1.0
87.04464	1.0
91.05447	0.6
93.07043	0.5
96.08085	0.5
98.06022	1.9
98.98462	2.8
99.06358	0.6
107.08591	0.5
108.02108	0.8
109.02881	1.9
111.00794	1.8
121.02857	0.6
123.04411	1.3
131.08524	0.5
137.02332	2.3
139.03896	4.2
140.04684	0.5
145.93402	0.4
147.04410	0.7
153.01823	14.2
161.05933	0.7
165.01796	3.9
166.02666	1.1
167.03358	2.6
171.04495	0.7
179.03360	1.2
183.02893	1.4
189.05521	1.0
193.04948	1.6
205.04980	1.3
206.05753	1.5
207.02840	0.6
208.03691	2.2
216.04164	1.8
217.04955	5.6
219.02898	9.8
233.04413	3.7
234.05254	1.2
241.04874	0.6
243.02895	2.4
244.03658	4.1
244.10037	0.5
245.04439	9.0
247.02438	0.8
255.02969	1.0
259.06012	1.4
261.03848	2.3
272.03073	0.7
273.03958	6.8
277.07022	1.5
287.05487	2.1
289.03421	4.4
289.18442	2.6
290.04211	3.2
301.03436	9.9
304.05975	0.7
315.04956	0.9
315.19824	1.6
318.03711	17.0
319.04031	0.8
333.06046	100.0
334.06314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Quercetagetin 7-methyl ether
Peak:m/z	Relative Intensity
57.03404	0.5
67.05473	0.8
68.99775	0.8
71.04974	0.5
81.03394	1.7
81.07045	0.6
86.06028	0.8
86.09702	0.8
87.04440	1.0
91.05482	0.7
93.06989	0.5
98.21560	0.9
98.97566	0.8
98.98444	1.9
105.07020	0.5
107.08547	0.7
108.02091	1.9
109.02876	4.5
121.02876	0.5
121.06461	0.6
126.03115	0.6
137.02330	1.9
137.05891	0.4
138.03012	0.6
139.03905	0.7
151.03929	0.5
153.01814	14.7
159.04308	0.4
165.01831	1.2
166.02563	1.0
167.03392	0.6
167.07080	0.9
177.05405	0.7
179.03371	1.0
183.02875	0.5
189.05399	0.6
191.03339	0.8
192.04083	0.6
197.12868	1.2
203.03412	0.7
205.04933	3.4
206.05777	3.6
208.03625	6.3
216.04114	1.6
217.04929	2.3
218.02153	0.6
219.02873	24.2
220.03551	1.0
232.03616	1.3
233.04453	10.9
234.01469	0.5
234.05211	2.4
243.02905	3.4
244.03700	5.4
245.04420	5.6
247.02391	2.1
255.02827	0.5
261.03934	6.3
262.04642	1.1
272.03101	0.8
273.03925	2.4
287.05402	0.6
289.03433	5.8
290.04205	6.4
300.02667	1.4
301.03403	8.1
315.09830	0.6
315.20096	2.7
317.02863	0.5
318.03690	60.9
319.04114	1.5
333.06033	100.0
334.06424	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	332.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43082	2.4
55.05500	5.8
56.05025	2.8
60.05931	1.7
67.05489	7.4
68.05047	2.3
69.03420	5.4
69.07053	3.3
69.65157	4.2
69.65554	14.0
70.06561	7.3
71.04988	2.7
72.08144	2.6
79.05470	8.3
81.03402	7.3
81.07056	12.8
83.04972	5.2
83.08611	6.4
84.04490	5.0
85.02888	4.4
86.06067	35.7
86.09708	10.7
87.04466	29.1
88.41335	1.9
91.05470	7.3
93.07018	9.4
95.04926	4.5
95.08604	6.2
97.06511	6.4
98.06046	31.9
98.98464	8.6
102.05511	3.1
104.07088	16.4
105.07017	6.3
107.08575	5.5
108.08080	3.0
112.07594	8.5
119.08571	4.8
121.10126	6.4
123.04392	2.4
124.07587	6.7
126.05485	4.6
128.07083	2.6
131.08527	3.7
138.12779	3.0
140.06985	2.2
142.08659	5.3
143.98430	1.9
147.11740	4.1
149.09593	16.1
151.22229	2.1
153.01840	12.4
154.08646	2.2
157.10095	3.4
161.27046	2.1
165.01836	3.3
165.12692	3.4
166.12276	2.3
173.12823	6.9
175.11116	2.4
184.13380	4.5
193.12221	7.9
202.34386	2.1
210.14905	6.1
211.13278	15.5
216.04121	2.2
217.05038	2.9
219.02859	9.1
224.16565	2.8
233.04604	3.0
243.02985	3.2
244.03568	4.1
245.04425	5.7
252.15862	13.2
254.50021	2.0
260.16464	2.0
261.03784	2.7
270.16989	10.4
273.03909	5.0
278.17526	6.0
288.17987	27.3
289.03491	5.4
291.19308	2.2
296.18719	3.7
301.03406	10.1
314.19598	100.0
315.20145	2.4
318.03610	27.5
332.05295	2.1
332.20547	4.8
332.24277	4.4
333.02014	4.9
333.06009	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03940	1.0
55.01880	0.4
57.03428	1.0
61.02922	2.2
65.03937	1.2
67.05499	3.0
69.03431	6.1
70.63184	1.3
70.63538	0.4
71.04974	0.6
73.02926	2.0
79.05489	1.3
81.03405	2.3
81.05771	0.5
81.07046	0.8
85.02901	6.0
85.06633	0.4
87.04456	0.9
91.03951	0.6
93.05780	0.8
94.06581	0.6
96.08128	1.0
97.02880	3.5
99.04453	0.4
101.02384	0.5
106.06554	4.4
107.07314	0.4
107.10387	0.4
108.08114	100.0
109.02876	0.8
109.08461	1.4
122.07146	0.4
123.06819	4.4
124.07590	17.9
127.03904	1.4
134.04990	0.6
134.06013	11.8
134.06999	0.8
136.07571	13.9
137.08279	0.4
145.04979	0.5
152.07062	66.0
153.07431	0.5
154.08630	1.6
170.08098	7.9
170.09236	0.6
178.32469	0.3
187.21628	0.4
187.88757	0.4
219.04558	0.5
250.39189	0.3
288.04132	0.5
314.12326	42.4
315.12506	0.6
332.13388	45.3
333.14084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12122	0.3
53.03932	0.6
53.72228	0.4
55.01854	1.1
56.96550	0.5
57.03426	1.4
61.02919	1.5
65.03930	1.3
66.79733	0.4
67.05489	2.9
69.03431	5.9
70.06567	0.5
70.62811	1.2
71.05003	0.5
72.08154	1.4
73.02904	1.2
79.05497	1.2
81.03401	1.9
81.05743	0.5
81.07024	0.8
84.04521	0.5
84.08148	0.6
85.02901	6.8
86.09692	1.9
87.04476	1.1
88.07243	0.4
92.05003	0.5
93.05788	0.8
96.08088	1.0
97.02893	2.8
102.17051	0.4
106.06546	4.6
108.08109	100.0
109.02878	1.0
109.08460	1.0
110.06032	0.6
122.06023	0.4
122.07082	0.4
123.06814	4.8
124.07583	16.5
125.07797	0.5
127.03899	1.6
134.06013	11.0
134.07001	0.9
136.07567	13.6
136.08553	0.9
152.07057	65.1
153.07442	0.9
154.08621	1.4
168.27432	0.4
170.08080	6.9
170.09285	1.0
171.14819	0.5
201.08922	0.4
238.71599	0.4
293.69229	0.5
314.12314	34.8
315.12561	0.9
325.77927	0.5
332.13385	37.3
333.13895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.3
57.03429	7.1
57.07079	100.0
62.87155	2.6
67.05508	21.8
69.07067	12.2
69.65154	10.5
69.65558	5.0
70.06579	9.1
70.45686	2.6
71.08633	69.2
72.08964	2.4
75.04470	2.4
78.69589	2.2
79.58907	2.9
81.07059	37.9
83.08626	20.1
85.10191	32.2
88.07610	10.5
89.07944	2.5
93.07027	2.6
95.08605	44.9
97.10175	13.6
98.21486	4.9
98.98466	66.7
99.11720	3.4
103.07551	3.0
106.08697	3.6
109.10155	22.3
123.11678	8.3
124.01185	2.2
125.04222	2.1
132.66380	2.1
137.13196	4.4
165.16377	2.5
174.99179	2.6
176.99001	6.4
203.09924	2.3
220.51767	2.3
221.22702	3.0
239.23662	13.0
257.24707	6.5
313.27359	48.7
313.33066	4.7
331.34009	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.5
57.03436	3.5
57.07076	55.7
58.37439	1.8
67.05499	15.6
69.07063	9.6
69.44260	5.4
69.44664	10.2
70.06583	2.6
71.08635	36.5
75.04488	2.2
79.05470	2.0
81.07054	19.9
82.07943	1.7
83.08619	18.0
85.10178	17.3
88.07621	2.5
91.05426	2.4
95.08607	32.3
97.10148	8.3
98.20807	3.7
98.98459	100.0
99.11707	2.3
103.07532	2.2
109.10148	12.9
111.11706	3.0
116.99496	4.7
123.11691	7.3
174.99179	3.6
176.69667	2.0
176.98932	6.2
209.84810	2.1
218.18550	1.7
239.23471	9.0
257.24844	3.8
313.27377	26.5
314.27734	2.0
329.86252	2.2
331.22458	2.6
331.33975	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	331.1021
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01860	1.5
56.05025	1.4
67.05470	0.8
69.03407	2.5
70.06588	5.3
71.56649	0.9
72.08150	1.5
74.06073	1.3
75.32362	0.9
81.03412	1.5
81.07030	1.7
83.04977	1.0
83.06113	2.0
84.04508	4.8
84.08118	3.7
85.02911	4.1
86.09701	5.6
90.05548	2.0
90.50926	0.9
91.05473	1.2
94.06538	0.8
95.04945	1.2
97.02832	1.0
98.98459	100.0
100.98881	2.5
101.07077	1.4
103.03902	0.9
105.07022	1.0
109.02847	1.8
115.05463	0.8
115.62761	1.0
116.07099	1.6
116.99505	4.3
119.04942	0.9
121.02827	1.0
123.04417	3.2
125.05966	3.0
127.03917	2.0
129.10234	1.1
133.06421	1.1
133.11699	0.8
137.06036	1.1
144.06470	1.0
147.04388	2.8
151.03897	3.8
151.07521	1.3
161.09251	1.1
163.03873	2.1
165.05455	1.2
167.07062	1.4
169.04929	2.7
169.08582	9.6
174.99182	2.8
175.03909	1.7
176.98907	7.0
181.04919	6.6
187.03917	1.2
188.14784	0.9
193.04962	11.9
196.14474	2.3
197.12740	1.3
205.04919	1.2
207.06512	3.1
211.06024	7.8
214.15485	1.1
217.04922	1.2
229.04947	2.2
235.06039	9.7
243.99493	0.8
247.05959	9.5
259.05972	4.6
277.06885	1.2
278.94159	0.9
299.01944	1.3
300.02783	1.6
313.11145	1.0
313.18597	1.9
331.04343	2.9
331.13657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1877
Annotation	Carnosol
Peak:m/z	Relative Intensity
63.70558	0.8
66.03069	0.7
69.77618	1.2
69.78030	3.5
98.20814	0.9
98.97852	1.4
98.98460	16.4
111.72987	0.7
142.72842	0.7
145.10033	0.9
176.98901	1.0
194.44930	0.7
195.10043	1.2
331.18777	100.0
332.19238	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90317	2.4
55.05500	11.0
57.03419	4.8
57.07074	88.0
67.05493	15.7
69.07064	14.0
69.36228	29.7
70.06578	5.8
71.08628	61.6
71.52928	2.5
75.04517	2.8
81.07048	30.0
83.08630	20.5
85.10178	30.8
88.07626	14.8
89.07938	4.9
95.08607	42.0
97.10133	11.5
98.98460	28.1
105.02822	2.9
106.08646	7.7
109.10127	17.2
113.47018	2.8
123.11700	7.5
130.00778	2.9
137.13211	5.9
169.01146	3.1
212.53566	3.0
239.23711	12.4
240.11046	3.0
257.24692	3.3
278.48706	3.1
285.04260	2.8
297.09479	2.9
313.27386	37.6
313.32898	9.3
314.27930	3.4
331.33963	100.0
339.62201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
67.01852	0.7
67.05497	0.4
69.03399	0.5
69.84650	1.8
81.07055	0.5
83.04987	0.5
91.05478	0.7
95.04961	0.9
95.08624	0.5
96.02105	0.5
98.98462	10.7
105.03376	1.6
105.06992	0.6
107.04884	0.4
111.04428	1.8
116.99454	0.5
119.04916	0.5
123.04481	0.4
125.02366	0.7
128.06177	0.8
133.02831	1.1
134.03720	0.5
135.04425	2.1
137.05954	1.0
138.03127	0.9
138.88663	0.4
139.03889	1.2
144.05710	1.0
145.02812	2.6
145.10126	0.7
149.02321	0.5
149.05995	0.4
150.03123	4.3
151.03894	1.5
153.05449	0.7
155.03461	0.4
155.04878	0.6
159.04420	0.6
159.08000	0.7
159.11635	0.4
161.06006	0.6
163.03883	0.7
164.04509	0.4
167.03395	27.7
168.03830	0.7
172.05202	0.7
176.98897	0.5
177.01819	1.3
177.05460	1.6
179.03401	0.7
180.60951	0.4
183.04404	0.5
184.03748	0.6
184.05226	1.2
185.04494	0.7
185.05989	0.4
187.07515	1.5
190.06256	0.6
191.03413	2.8
193.05078	0.5
194.02196	0.7
199.03903	0.5
199.07582	0.5
200.04657	4.1
201.05475	1.0
205.04933	3.7
212.08321	0.4
213.05453	1.0
215.07050	2.6
217.04936	5.0
218.05695	4.2
219.06516	8.6
223.05959	0.8
227.07007	2.4
228.04112	3.3
229.04970	1.3
230.05667	0.4
231.06508	1.0
241.04950	0.4
242.05734	1.2
243.06509	30.8
244.06915	1.0
245.04480	1.4
246.05194	1.0
247.06033	1.9
253.04999	1.1
255.06619	0.4
256.03723	0.8
259.06003	0.5
261.07596	1.5
270.05215	0.5
271.05997	22.2
272.06247	0.6
275.09174	2.0
281.23483	0.3
285.07584	1.5
288.06320	1.0
298.04678	1.9
299.05518	5.8
299.75381	0.4
303.08618	1.1
313.07178	0.6
315.05157	0.6
316.05762	11.6
317.06052	0.5
331.08102	100.0
332.08472	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
56.96550	0.4
62.16119	0.3
67.05489	0.6
69.60147	2.3
78.13413	0.3
78.30859	0.3
81.07043	0.7
91.05466	0.5
95.08594	0.9
96.41218	0.3
98.98461	26.6
100.98869	0.5
105.07001	0.8
109.10142	0.4
116.99476	1.0
117.06971	0.4
119.08520	0.5
131.08517	0.6
137.02356	0.4
140.01115	0.5
145.10094	1.8
153.01808	2.0
154.02591	0.6
154.10794	0.3
159.11646	0.5
163.03966	0.5
167.03378	0.4
168.05814	0.4
171.11685	0.3
174.99133	0.6
176.98926	1.8
178.02573	0.5
179.03378	0.4
197.05940	0.4
203.03380	0.5
205.14182	0.4
210.11584	0.3
211.07617	0.4
213.05429	1.2
213.09319	0.3
214.06180	0.5
241.04909	1.2
242.05721	7.6
243.06377	0.7
245.04449	0.9
253.04892	0.9
255.02956	0.5
257.04437	0.4
258.05255	5.2
269.04425	1.5
270.05234	17.4
271.05988	0.5
273.03964	2.9
274.04440	0.4
285.03973	2.3
286.04590	1.8
287.05490	10.9
298.04712	1.1
299.05402	1.5
301.03412	3.9
302.04178	5.4
313.03354	3.3
315.04959	77.3
316.05710	14.8
331.04758	4.1
331.08090	100.0
331.11282	3.5
332.08466	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
57.03436	1.7
57.07072	1.4
67.05500	9.1
69.07063	3.2
69.50623	9.7
70.06570	1.6
79.05488	4.7
81.07037	5.7
83.04987	1.4
83.08582	1.1
87.04462	3.9
88.07647	2.5
91.05489	2.1
93.07042	3.4
95.04984	1.2
95.08614	3.8
97.10146	1.5
98.21600	1.1
98.98461	100.0
100.98911	2.7
101.06000	2.8
105.07005	1.7
107.08585	2.4
109.10136	2.5
116.99502	5.2
119.08576	1.5
121.10139	1.4
126.19322	1.1
131.08546	1.6
132.40199	1.0
135.11751	1.5
135.19890	1.2
145.10104	1.8
154.12323	1.4
157.10153	1.6
173.11691	2.4
174.99199	2.7
176.98903	4.1
189.11189	1.5
265.54425	1.2
277.21661	1.4
330.10461	3.3
330.30002	6.2
331.18817	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	330.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05515	7.1
56.05019	2.2
58.06598	4.3
67.05502	1.0
69.03426	3.1
69.07048	1.8
70.06612	1.1
71.09669	1.1
71.10009	1.1
71.55328	0.6
72.04514	5.7
72.08153	7.3
79.05499	0.9
80.17676	0.5
81.07046	1.0
83.08611	2.1
84.04498	0.8
84.08127	1.5
86.09648	1.0
97.10164	9.1
98.06055	21.3
98.97860	0.8
98.98470	11.6
99.09202	1.3
99.41415	0.5
100.07616	42.9
107.08640	1.1
112.07611	3.7
112.11230	1.8
114.09163	9.0
125.09634	6.6
126.12815	1.1
154.12254	4.9
155.11815	1.7
171.14915	2.2
182.15404	38.6
188.17613	0.9
196.16956	1.7
200.16458	59.7
207.13708	0.7
212.17554	0.6
213.16022	0.6
214.17998	1.9
230.18742	1.0
294.25519	0.6
312.26462	3.9
313.24979	0.8
327.71213	0.5
330.06964	0.8
330.27493	100.0
331.08032	2.2
331.27774	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	330.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01862	2.8
55.05259	1.0
55.05505	10.7
56.96580	0.7
57.03425	2.3
58.06585	3.0
67.05499	3.2
69.03426	1.8
69.07061	2.3
70.06591	5.8
70.14971	0.7
71.56646	1.5
72.04517	6.3
72.08163	7.2
74.06082	0.8
79.05482	3.6
81.07063	3.7
83.04980	1.6
83.06082	0.8
83.08633	4.3
84.04509	2.1
84.08136	3.0
85.02910	0.7
86.09696	3.0
91.05466	1.0
95.04978	1.3
95.08589	0.8
97.10162	13.2
98.06058	9.8
98.98460	45.1
100.07614	43.1
101.02390	0.8
107.04924	0.6
107.08591	3.3
111.04374	0.8
112.07612	5.4
112.11222	2.0
114.09156	7.3
116.07082	2.1
116.98704	0.8
116.99500	1.5
119.04976	1.0
120.04467	0.8
120.08134	1.1
121.06490	0.8
121.08406	0.7
122.06014	0.9
123.04412	5.4
124.11174	0.7
125.09625	13.4
127.03895	0.7
128.07071	1.4
135.04431	1.1
136.06183	3.9
139.03899	3.0
140.03366	1.2
141.04234	6.3
142.04982	1.2
143.10643	1.3
147.04391	1.3
151.03900	1.7
154.12263	4.0
156.06497	0.7
162.05553	0.8
171.14922	3.0
174.99220	1.6
176.98895	2.5
178.04999	1.3
180.06529	0.8
182.04509	0.7
182.15396	33.3
184.06049	6.9
185.06822	1.0
187.14528	1.0
188.17636	1.0
196.16986	2.0
197.06833	2.5
198.07579	8.5
200.05531	0.9
200.16449	62.5
201.16832	1.5
209.08069	1.0
212.12846	0.8
213.09946	0.9
213.99905	0.7
214.18008	2.0
217.11859	0.9
240.08847	0.7
241.09389	4.2
266.08902	0.8
284.11322	2.0
312.26361	5.6
313.11642	0.9
313.24826	2.4
330.27490	100.0
331.13422	1.3
331.27631	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.53340	1.0
55.01870	1.2
55.05509	15.7
56.96563	2.2
67.05495	6.4
69.03448	1.0
69.07066	6.0
71.57744	1.8
71.58118	1.2
79.05495	5.2
81.03473	1.4
81.07050	5.6
83.04958	1.3
83.08611	9.2
84.08141	1.2
87.04474	2.1
88.07645	1.7
91.05476	2.4
93.07047	3.6
95.04989	2.1
95.08576	2.5
97.10166	18.9
98.98465	100.0
100.98904	1.8
105.07057	2.7
107.08599	5.9
109.10152	3.1
111.16470	1.0
116.98772	0.9
116.99477	5.8
117.07058	1.0
119.08587	1.7
121.10194	1.1
125.09631	15.5
126.14690	1.1
131.08597	1.4
133.10127	1.3
135.08073	2.0
140.01097	1.3
145.10149	1.5
146.99683	1.7
147.11655	1.0
151.11237	1.1
152.14304	2.4
153.09056	1.2
153.14668	1.5
154.15858	2.9
157.10156	1.1
161.13280	1.2
171.10199	1.3
171.11688	1.1
174.99236	5.3
175.99706	1.3
176.98938	5.1
189.11200	24.2
253.24815	1.2
258.81519	1.1
277.21640	10.9
295.22849	1.3
330.29901	8.9
331.15805	2.9
331.22638	1.8
349.16931	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.3
56.96556	2.4
57.03433	1.5
57.07074	2.8
67.05484	6.7
69.07061	3.9
69.86110	3.0
69.86504	2.4
70.06598	1.4
71.08633	3.9
74.06104	1.4
79.05482	3.3
81.07051	6.4
83.04997	1.3
83.08635	2.4
84.04511	2.2
87.04469	4.7
88.07635	2.7
88.72083	1.3
91.05495	3.2
93.07027	2.8
95.04948	1.4
95.08607	3.4
98.98462	100.0
99.08095	2.2
101.06021	3.4
105.07014	2.2
107.08591	3.5
109.10159	2.5
116.99526	6.2
119.08588	2.2
121.10153	1.5
123.11712	1.2
125.09630	3.1
130.04990	1.1
140.01060	2.0
149.13181	1.2
157.42145	1.3
173.11771	3.0
174.99240	3.9
176.98886	6.5
189.11224	3.4
277.21628	3.0
330.10541	1.9
330.29974	8.0
330.33466	1.7
331.18903	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	330.1096
Annotation	Fluridone
Peak:m/z	Relative Intensity
53.17266	0.2
60.04524	0.3
60.94467	0.2
67.05489	0.4
69.44507	2.2
70.06563	0.3
75.70163	0.2
79.05441	0.4
91.05478	0.3
98.98457	10.5
116.99485	0.4
136.06161	0.4
152.06166	3.1
153.06927	0.5
154.04120	0.7
176.98920	0.5
180.05673	4.1
181.06468	0.6
184.05193	0.4
194.03624	2.2
195.04243	0.3
196.05186	0.9
197.05984	0.7
198.06766	0.8
208.05173	58.2
209.05704	1.6
211.03883	3.0
212.04639	1.2
213.05463	0.3
222.03139	0.9
223.03760	0.3
224.04700	1.6
225.05447	3.3
226.06230	3.5
227.07004	1.3
229.04950	1.0
236.04663	11.8
239.03358	0.5
239.06999	0.9
240.04140	9.5
241.04832	0.6
241.08575	1.9
242.05588	0.3
243.06551	0.6
244.07339	0.5
252.04092	0.3
253.04951	0.8
254.05714	14.7
255.06390	0.9
256.07324	0.4
257.04431	6.4
257.07742	0.3
257.08170	0.3
264.04126	1.6
267.06497	0.9
268.03638	4.9
269.08057	38.3
270.05447	0.3
270.08389	1.0
271.05991	2.9
271.09647	0.7
272.06754	6.8
273.07462	0.4
282.05203	5.9
285.04053	0.4
285.07397	0.7
286.04697	1.5
286.08200	0.6
287.09137	4.3
297.07642	1.2
299.05551	0.7
299.09045	0.5
300.06244	4.6
301.07050	3.7
314.07922	0.5
315.08585	100.0
316.08948	3.0
330.10934	71.7
331.07932	0.5
331.11389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0651
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03931	0.3
55.01846	0.5
55.23679	0.4
58.40100	0.4
66.04694	0.3
68.99787	0.6
69.68273	2.5
74.03371	0.3
84.55170	0.3
86.69589	0.3
91.31020	0.3
92.14613	0.3
95.04974	0.4
96.02088	1.0
98.21457	0.7
98.98457	11.7
105.03376	1.2
107.01284	0.5
107.08587	0.3
111.04431	2.8
116.99465	0.3
133.02841	5.6
135.04463	0.5
137.02278	1.6
139.03891	3.1
149.02243	0.4
151.03917	0.7
152.01016	1.4
155.04958	0.8
161.02310	1.2
162.03123	2.8
163.03848	0.7
167.03383	17.6
172.05182	0.8
174.99225	0.6
177.01773	0.9
179.03400	0.6
183.04431	0.6
184.05089	0.4
187.07512	0.4
188.04691	0.4
189.01810	9.9
200.04668	4.1
201.05382	0.7
211.03816	1.0
212.04684	1.1
215.03143	0.4
215.07014	1.3
216.04132	1.5
217.04863	0.4
227.07079	1.1
228.04146	15.7
229.04842	2.4
230.05714	0.9
231.06577	1.6
237.03882	1.2
239.03291	0.7
243.06505	25.3
244.06856	0.7
245.08112	0.5
255.06392	0.4
256.03641	3.7
257.04352	1.4
269.04483	0.4
271.05984	22.6
272.06293	0.9
273.07556	1.4
283.24109	0.5
284.03165	3.0
299.05441	6.8
301.06934	1.4
314.04163	1.0
329.06509	100.0
330.06848	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	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05497	0.8
67.05492	1.0
69.07063	0.8
69.24232	1.9
69.24662	2.5
77.76343	0.4
79.05468	1.3
81.07027	1.7
85.02888	0.4
91.05446	0.9
93.07029	1.2
95.08602	2.2
98.52296	0.4
98.98463	44.2
105.07002	1.2
107.08590	2.0
109.02909	0.4
109.10139	1.4
116.99509	1.9
117.06989	0.5
119.08566	1.2
121.10141	1.3
123.04314	0.4
125.05952	0.6
129.07045	0.4
131.08546	1.0
133.10100	1.1
134.03621	0.6
135.11684	0.7
137.02335	1.1
137.05988	1.3
140.01105	0.6
141.06941	0.4
145.06522	0.5
147.11649	0.9
148.05177	0.7
152.04668	1.1
159.11693	1.0
161.13249	1.2
162.06848	0.4
167.03392	0.9
169.06432	0.9
172.31406	0.3
173.13261	1.2
174.99261	2.1
175.14870	1.0
176.98898	0.9
177.01817	0.9
177.16148	0.4
180.04117	0.4
181.05000	2.5
181.06284	0.4
183.02888	1.6
183.04399	0.6
184.03670	0.7
187.07539	0.5
187.14763	0.7
189.16295	0.5
192.04128	1.2
197.04381	0.7
197.05952	2.2
197.95410	0.4
198.05222	6.6
198.06908	0.6
199.07510	0.5
200.04741	0.5
201.16261	0.8
211.03899	1.3
213.05437	0.7
215.07014	1.9
225.05579	2.3
226.06190	0.7
227.07028	1.6
228.04185	0.9
229.08635	1.7
230.09468	1.0
239.03476	0.4
241.08514	0.9
242.05588	0.5
243.06436	2.6
252.04088	0.5
253.04970	2.7
254.05670	0.8
255.06541	2.0
257.08032	4.2
257.12601	0.5
258.08884	2.5
267.06583	2.9
268.07297	1.6
269.05072	0.4
269.08105	2.4
270.05240	2.4
271.06024	1.8
273.11252	1.8
281.04449	2.6
282.05264	0.9
283.05954	1.3
283.24182	5.9
284.06958	0.4
285.07535	6.5
286.08307	1.6
295.06021	1.7
296.06769	1.7
297.07562	4.5
298.04593	1.1
299.05508	2.5
300.06183	0.7
301.11777	0.6
313.07034	16.2
314.07800	20.9
315.08191	0.5
329.10175	100.0
329.24606	2.7
330.10461	4.6
338.98743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
67.05492	2.9
69.07067	1.5
70.11179	4.3
79.05486	2.7
81.07057	2.1
83.02612	0.8
83.08647	0.8
91.05479	2.2
93.07027	3.8
94.28446	0.7
95.04939	1.3
95.08607	2.3
98.98463	100.0
99.98935	0.8
100.98869	1.6
105.07035	2.1
107.08582	2.3
109.10143	1.8
116.99494	4.8
119.08582	1.4
125.09686	1.1
127.72944	0.9
129.65334	0.8
133.10139	1.0
135.21513	0.8
137.09544	0.9
140.01031	1.5
173.11700	0.7
174.99232	6.2
175.99551	0.8
176.98877	4.0
190.95403	1.7
197.38924	0.8
208.96480	0.9
221.27423	0.8
232.96419	1.3
250.97534	1.2
275.20190	1.2
276.53226	0.8
301.48709	1.0
329.29248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70325	2.2
55.01865	3.2
55.05505	49.9
57.29820	2.1
67.05507	11.3
69.03416	5.9
69.07050	8.2
69.32196	15.4
69.32622	7.7
79.05486	22.0
81.07045	12.5
83.08616	30.9
84.79991	2.5
91.05461	9.1
91.05988	2.5
93.07043	6.6
95.08607	6.2
97.10159	62.8
98.98460	100.0
105.07037	10.5
107.08588	64.4
109.06554	2.4
109.10126	3.8
113.79242	2.2
116.88081	2.3
119.08572	6.6
121.10191	3.1
125.09622	50.3
133.10065	5.9
135.08047	4.3
135.11667	3.3
143.10690	4.7
145.10109	6.1
146.03647	2.5
147.11670	3.4
153.09163	2.2
156.09351	2.4
168.56059	2.0
171.10159	5.2
174.99184	5.1
181.12390	2.4
189.11206	68.6
255.51096	2.5
257.18802	3.7
275.20047	42.6
283.24194	6.9
314.04327	15.5
329.06580	17.6
354.91992	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	328.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20005	1.0
55.01868	6.2
55.05511	1.8
56.52036	1.1
57.03423	1.1
58.99585	2.5
60.04527	2.2
67.05489	1.6
69.03429	2.2
69.07056	3.6
70.02964	1.7
70.04006	6.2
70.06609	1.1
71.04986	3.3
74.39371	1.1
76.02223	2.9
79.05495	5.8
80.61146	1.2
81.07055	5.4
81.86482	1.1
83.04996	1.9
85.01142	2.3
86.09679	1.4
87.02669	1.1
88.02216	5.1
88.03988	34.4
91.05481	8.5
93.03423	2.7
93.07030	9.0
95.04950	1.8
95.08606	2.8
97.06526	1.1
98.20898	1.8
98.98460	100.0
100.98885	1.2
101.14667	1.2
102.03715	1.3
103.05482	1.2
105.00082	1.8
105.07024	10.6
107.05006	1.5
107.08620	7.2
109.06521	2.8
109.10162	2.5
116.98756	1.1
116.99505	4.5
117.07025	3.6
118.24435	1.1
119.04932	19.5
119.08572	50.5
121.06479	2.7
121.10141	10.5
122.02696	6.2
123.08051	2.3
129.07010	1.6
131.08560	3.0
131.73149	1.1
133.06479	6.2
133.10141	12.1
135.08032	2.5
135.11679	2.1
137.06003	2.8
137.09651	3.5
138.06317	2.5
141.07031	1.1
143.08527	2.0
145.10103	13.4
147.08060	4.4
147.11638	12.1
148.04285	2.8
148.08830	3.6
149.04228	1.9
149.09570	9.5
151.02150	3.5
156.09378	3.1
159.11661	2.0
161.13298	2.2
163.11176	62.9
167.05257	8.7
171.11694	5.9
174.10464	2.7
174.99232	7.9
176.98938	2.6
177.12802	8.3
179.05307	2.1
184.09341	1.2
187.11217	1.7
189.12738	46.1
207.13834	5.6
210.72081	1.0
221.09921	2.7
223.11526	23.0
239.10979	35.8
264.14081	1.2
310.14612	24.8
328.11292	1.7
328.15851	3.4
329.06589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
58.99591	2.6
67.05509	2.4
67.85686	0.5
69.03428	100.0
69.63686	3.6
69.64111	0.9
70.03763	0.8
72.08160	0.7
74.00611	0.6
74.02405	0.6
76.02225	12.6
79.05490	0.7
81.07056	1.3
83.04953	2.8
88.32761	0.5
91.05481	0.6
93.07071	1.1
95.08603	1.5
98.98462	39.4
100.07623	0.5
103.05493	0.6
104.05794	0.6
105.07007	0.7
109.02891	2.0
109.06560	0.6
109.10156	5.5
113.00584	5.7
113.04239	0.7
116.99517	1.4
119.08571	0.8
121.02920	0.7
122.02753	3.3
122.03540	0.8
123.08098	1.6
126.29404	0.5
133.06456	1.5
134.06833	0.8
137.05971	4.4
137.09651	1.4
138.06361	2.4
139.11169	19.7
140.11543	0.8
143.52831	0.5
144.04843	1.8
151.07530	8.9
163.07565	1.2
163.11255	0.6
164.07970	0.8
165.46445	0.5
174.99234	2.0
176.98911	0.8
183.04750	10.3
189.12729	1.1
190.05434	1.9
207.13797	36.2
208.14163	0.9
218.38976	0.5
223.08253	0.6
239.11008	9.0
270.54517	0.6
281.28677	0.6
296.13248	0.6
311.05768	0.7
328.12616	1.0
328.16068	3.5
328.20157	0.9
329.06790	1.9
337.08350	0.5
352.30463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
57.07066	1.5
67.05497	7.2
69.03429	2.9
69.07064	8.1
69.44298	8.5
71.04991	1.3
79.05482	4.1
81.06586	1.5
81.07047	22.6
83.08606	3.3
85.06567	2.1
86.09643	1.2
91.05481	2.5
93.07030	8.3
95.04975	1.2
95.08600	15.1
96.85351	1.0
97.10149	2.3
98.98459	100.0
99.04517	1.0
99.08085	2.7
103.05447	2.4
105.07011	3.0
107.04988	1.5
107.08599	6.5
109.06500	1.1
109.10148	15.7
111.08076	1.9
111.11694	2.7
116.99491	2.8
119.08566	1.2
121.10139	4.2
122.03706	1.3
123.11695	8.7
125.09588	1.1
131.04910	3.1
131.23892	1.1
133.06482	2.8
133.10141	2.2
135.08047	1.6
135.11711	5.3
137.05984	11.8
137.13237	3.7
145.06508	1.3
147.11731	1.3
149.13226	5.8
151.14850	1.2
161.13211	1.2
163.07555	4.3
163.14819	2.7
174.99176	10.1
177.16382	3.1
179.17944	1.4
191.17944	1.7
205.19542	2.3
217.19501	1.8
241.14261	1.5
247.24208	1.3
291.26849	3.0
300.12268	1.1
309.09494	3.8
327.10275	9.6
328.10944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01857	3.8
55.05499	10.8
57.03416	3.2
57.07060	7.9
58.34470	2.8
59.05010	2.8
65.03905	3.7
67.05504	27.8
69.03410	3.1
69.07077	15.5
70.71989	7.4
72.02069	2.9
79.05483	25.6
81.03414	6.2
81.07046	35.0
83.04974	3.9
83.08616	3.7
85.06530	6.2
91.05472	37.9
93.07034	68.5
95.04959	70.9
95.08597	46.8
97.06524	13.4
98.98460	100.0
105.07022	65.6
107.04956	3.6
107.08578	31.5
109.06492	14.4
109.10130	21.4
116.99526	3.8
117.07007	17.3
119.08572	67.1
121.06496	11.9
121.10142	35.4
123.08073	12.7
123.11703	7.1
128.06172	3.3
129.07014	10.9
130.07797	4.0
131.08551	25.2
133.10118	39.5
135.08066	10.0
135.11687	8.7
137.09570	4.3
141.06946	3.4
142.07761	12.2
143.08528	17.9
144.09329	9.0
145.10110	40.2
147.08073	3.6
147.11668	15.3
149.09599	6.2
155.08549	8.9
156.09383	8.9
157.10120	33.2
158.10963	6.7
159.07979	3.0
159.11699	34.2
161.09636	11.9
161.13219	4.7
169.10110	15.9
170.10910	4.6
171.11684	13.2
173.09634	4.7
173.13214	18.4
174.99248	7.0
175.14798	15.2
179.08588	4.3
181.10120	4.7
182.10797	4.6
183.11700	7.4
184.12439	4.2
185.13197	9.4
187.11179	4.1
187.14838	12.4
189.16417	3.1
193.10063	4.2
195.11682	8.0
197.13263	11.6
199.14822	8.5
201.16298	3.9
207.11639	5.6
209.13274	10.4
211.14796	7.7
213.16396	5.6
223.14893	5.1
225.16272	5.2
227.14384	4.3
229.15880	3.4
281.91980	3.1
309.22098	8.2
327.23178	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76391	2.4
53.03946	4.7
55.01876	3.6
55.05512	15.4
56.10908	3.0
57.07054	4.8
65.03930	3.8
67.05489	30.3
69.07046	13.6
78.58379	3.6
79.05495	15.1
81.03405	5.3
81.07053	25.3
83.04910	3.6
83.08611	7.2
91.05478	32.4
92.64204	2.9
93.07043	68.6
95.04962	68.4
95.08591	44.1
97.06511	15.8
98.98460	100.0
105.07030	57.2
107.08601	31.5
109.06490	12.7
109.10174	18.7
114.71744	2.8
116.99480	4.4
117.06998	14.0
119.08562	50.4
121.06517	14.7
121.10143	27.1
123.08064	9.6
123.11673	8.1
128.06221	6.3
129.06990	12.8
130.07755	5.6
131.08551	21.0
133.10120	43.0
135.08011	9.4
135.11681	11.3
137.09558	3.7
140.08397	3.0
142.07733	10.2
143.08516	17.0
144.09323	6.3
145.06548	3.5
145.10126	44.0
147.11659	15.9
149.09616	6.0
155.08534	9.1
156.09314	6.9
157.10110	28.3
158.10869	5.3
159.08025	3.9
159.11696	29.5
161.09575	10.9
161.13206	5.3
167.67638	4.0
169.10143	13.4
171.11647	15.3
172.12248	3.9
173.13249	15.6
174.99211	11.4
175.11243	3.2
175.14818	19.2
181.10156	5.5
181.11896	3.1
182.10922	4.5
183.11668	13.7
185.13208	7.7
187.11154	4.4
187.14780	14.9
195.11623	7.2
197.13213	6.2
199.14795	8.0
201.16420	4.9
207.11571	4.3
209.13260	8.9
211.14793	11.9
217.15906	4.3
220.12537	3.8
223.14684	6.1
225.16420	3.8
235.14708	6.7
253.16003	4.6
309.22052	5.9
327.07849	4.8
327.23102	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	327.2162
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.18736	1.1
53.58836	1.3
55.01859	3.4
55.05507	27.2
57.03420	3.3
67.05502	18.6
69.03410	5.4
69.07065	6.9
71.02962	3.1
71.51504	1.4
79.05489	14.5
81.03409	2.3
81.07054	16.2
83.04970	6.1
83.08620	13.6
83.12237	1.4
91.05457	6.9
91.63993	1.2
93.07034	14.6
95.04967	14.4
95.08588	20.1
97.06522	3.9
97.10156	20.7
98.98459	100.0
105.07030	8.3
107.08583	8.4
109.06520	2.3
109.10155	4.3
116.99490	2.8
119.08573	6.0
121.10160	6.4
123.08053	45.8
123.11718	4.5
125.09617	15.8
131.08595	3.2
133.10114	4.5
135.08043	2.7
135.84833	1.3
137.09584	4.1
138.54044	1.6
139.11133	1.6
142.12425	1.4
143.10699	1.5
145.10132	3.0
147.07971	2.4
149.09569	2.0
157.10094	2.1
159.11708	1.5
160.71700	1.4
165.09116	6.7
169.12227	5.6
170.34885	1.4
171.10205	1.5
171.11714	1.5
173.13266	1.5
174.99231	10.6
182.44432	1.4
187.13312	4.0
189.11234	15.6
249.84328	1.4
255.17516	3.1
263.20032	3.2
273.18530	16.6
291.19458	21.6
309.20590	5.6
309.78647	1.5
327.21658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05509	1.7
56.05024	2.7
57.03415	0.8
60.04534	1.0
67.05495	7.3
68.05026	2.1
69.03416	1.5
69.07061	2.4
69.25846	8.4
70.02937	2.0
70.06557	1.2
72.08138	0.9
74.66154	0.8
75.74628	0.7
79.05492	5.7
80.05013	11.2
81.07052	7.9
82.06573	10.0
83.08618	1.3
87.05589	9.3
88.03963	1.3
89.18127	0.8
91.05465	6.5
92.04995	2.4
93.07023	4.6
94.04189	1.1
94.06557	15.4
94.97211	0.8
95.04964	2.2
95.08609	3.9
96.04491	1.9
96.08128	1.7
97.10152	0.7
98.98460	100.0
103.05463	4.2
105.07025	5.8
106.06557	2.6
107.04968	1.2
107.08581	2.8
108.04461	3.9
108.08080	1.3
109.06544	1.3
109.10146	2.1
110.06013	1.6
111.04469	0.8
116.99505	4.7
117.07021	1.7
119.08575	2.1
120.08121	2.0
121.06538	1.4
121.10126	2.2
122.03615	1.2
122.06039	0.8
123.04453	0.7
123.11714	1.0
124.03976	1.0
126.05536	1.7
129.06975	1.2
131.04913	5.1
131.08546	1.5
133.06514	6.5
133.10126	2.1
134.05984	0.9
134.10941	0.9
135.08051	2.5
135.11676	1.5
135.66833	0.8
136.07562	1.2
137.05971	17.3
138.06317	1.3
145.06461	1.7
147.08038	1.3
147.11671	1.5
149.13222	1.1
151.07518	2.8
157.06450	1.0
159.11681	2.0
161.05904	0.9
162.03242	0.9
163.07527	11.2
174.99216	9.8
175.07547	1.6
175.11174	1.8
176.14349	5.6
177.12743	4.4
178.07712	0.8
185.21567	0.7
194.15375	2.0
203.07007	0.9
204.13802	11.1
206.15393	1.7
207.08063	1.3
211.15746	1.2
212.16464	4.9
218.15428	1.8
220.16895	0.9
222.12804	1.3
222.14856	9.4
222.16898	1.2
224.16457	1.0
226.91362	0.9
228.13969	1.1
236.16449	1.6
242.32867	0.9
246.14833	9.8
248.16357	0.8
250.14417	3.2
251.00064	1.3
263.17471	3.6
264.15909	12.3
267.10403	1.2
268.15430	5.2
277.08557	1.9
281.18591	9.1
282.16901	5.7
283.20090	1.8
292.15393	1.8
295.13330	1.0
309.11154	0.8
309.17975	1.0
324.03204	0.9
327.12286	1.4
327.19141	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	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05489	0.5
57.59187	0.5
65.03945	0.7
67.05492	0.6
69.03441	0.7
69.96711	3.0
70.06595	0.5
79.05482	3.3
81.03423	0.5
81.07047	2.1
84.04491	1.0
85.02911	1.3
86.09687	0.7
91.05482	4.9
93.07036	1.3
94.04175	3.0
94.07339	0.7
95.04949	1.7
97.06546	0.7
98.21435	0.9
98.98464	70.4
103.04790	1.1
103.05463	19.1
105.07024	9.0
107.04952	4.0
107.08619	0.6
108.08118	1.4
109.06514	3.2
109.08424	1.4
111.04321	0.5
111.38605	0.5
115.05440	2.7
116.99490	2.9
117.07017	2.0
119.04926	0.7
119.08599	0.7
121.06505	4.2
122.02768	0.8
122.03639	9.7
122.09641	1.0
123.08048	1.4
123.09968	0.9
129.06989	1.0
131.04921	19.4
133.06488	28.1
135.08041	10.1
136.05194	0.7
137.05971	100.0
138.06354	1.0
143.04939	2.9
144.05629	0.8
144.34714	0.6
145.06480	5.4
147.08072	2.6
149.06015	1.4
150.12724	1.8
151.03899	2.9
151.07542	10.3
151.13187	1.5
152.14073	0.8
157.06456	1.9
160.05112	0.6
161.05997	1.1
163.07541	39.8
164.07890	0.9
171.08043	1.4
174.06731	0.6
174.99243	7.0
175.07529	4.1
177.09050	0.9
187.07484	1.0
189.09079	1.3
194.95137	0.5
202.07791	0.8
203.07011	2.8
203.10620	1.3
207.08049	1.1
217.10112	0.9
220.08868	1.1
220.77834	0.5
235.07614	0.7
235.11174	2.3
245.09550	1.1
247.07469	0.5
248.08255	0.5
250.99992	1.1
256.14438	0.5
263.10626	3.3
265.08722	0.5
267.10178	0.9
269.07813	0.6
277.08606	0.5
282.16946	1.9
283.17325	14.0
292.15509	0.5
295.09958	0.9
295.13245	6.4
312.13638	1.0
327.12061	3.2
327.15845	5.0
327.19885	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	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01871	0.9
60.62473	0.5
65.03927	0.6
67.05489	0.9
67.15116	0.4
69.03430	7.0
69.25398	1.6
69.25825	4.5
70.06564	0.5
76.02232	0.9
79.05486	3.2
81.07055	2.0
86.09731	0.5
87.82556	0.5
91.05466	5.9
93.07069	1.5
94.04182	3.7
95.04974	1.4
95.08623	1.1
98.98463	69.5
103.05463	21.1
105.07033	10.6
107.04951	4.1
109.06504	3.4
115.05450	3.2
116.99493	3.2
117.06985	2.6
119.04938	1.6
119.08591	1.1
120.17925	0.6
121.06522	5.0
122.03651	8.4
123.08052	0.7
125.59917	0.6
128.06226	1.3
129.07014	0.9
131.03909	0.6
131.04921	21.1
133.06488	31.9
134.06741	0.7
135.08040	11.0
136.05258	0.7
137.05972	100.0
138.06293	1.5
139.11053	1.0
140.01149	0.8
143.04919	3.2
143.08595	0.6
144.05725	0.6
145.06474	7.3
147.04411	0.9
147.08063	2.3
149.05974	2.0
151.03889	2.3
151.07536	12.1
152.19006	0.5
157.06525	2.7
160.05174	0.6
161.05989	0.8
161.09680	0.7
162.06754	0.9
163.07541	49.2
165.09096	0.7
171.08052	1.2
174.99214	6.7
175.07562	3.9
177.09149	1.3
179.08563	0.6
183.04646	0.7
187.07559	1.9
188.08302	1.0
189.09094	2.3
203.06979	1.8
203.08862	0.5
203.10689	1.5
207.08067	1.1
207.13875	1.2
217.09987	0.8
220.08742	1.1
233.06078	0.6
234.06860	0.6
235.07547	0.7
235.11115	2.3
245.09489	1.1
257.99240	0.5
263.10681	3.3
267.10144	0.8
267.13821	0.6
294.08875	0.5
295.09924	1.0
295.13196	6.9
312.10046	0.7
312.13455	0.6
327.11850	1.7
327.15872	5.2
327.19467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45356	0.8
61.81749	0.7
64.53798	0.8
67.05491	1.1
69.03408	2.6
69.07040	1.3
70.23396	1.4
70.23790	1.8
70.37335	1.0
79.05479	1.4
81.03399	1.0
81.07039	1.7
91.05482	1.2
93.07013	2.1
95.08586	1.0
98.21455	1.1
98.98460	83.3
99.04385	0.9
103.05440	2.0
105.07042	1.5
109.06488	1.0
113.02091	1.8
115.05521	0.9
116.99480	2.5
121.06506	1.0
131.04912	1.9
132.89943	0.9
133.06480	2.6
135.08017	1.6
137.05974	11.8
151.07513	1.9
163.07518	4.0
174.99228	6.3
181.01062	1.3
189.26056	0.8
191.05406	1.8
197.00502	1.0
203.06906	1.2
212.02898	2.7
213.38229	0.7
216.29996	0.8
229.03040	1.0
241.14325	1.0
249.07256	1.5
267.08408	2.3
295.13239	1.0
309.09387	30.3
310.09988	0.9
327.10413	100.0
328.10709	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	327.0859
Annotation	Milletenin C
Peak:m/z	Relative Intensity
52.16315	0.2
69.60761	1.5
69.61179	0.5
76.32816	0.3
92.80698	0.3
94.09782	0.2
95.04984	0.4
98.20737	0.3
98.98468	4.7
110.03701	0.3
116.99519	0.3
122.03647	0.8
125.05961	0.8
135.04381	1.8
146.03564	0.3
148.26862	0.2
149.02318	0.4
152.06169	0.7
153.05441	0.7
153.06894	0.3
162.03067	0.4
165.05446	0.5
168.05768	0.4
169.06520	1.3
170.07274	0.4
174.99147	0.3
180.05756	0.6
181.06470	0.7
182.07283	0.6
183.04417	0.5
189.01862	0.4
196.05182	0.7
197.05986	3.4
198.06738	2.4
208.05174	0.9
209.06003	0.7
210.06776	1.0
211.03963	0.4
213.05409	0.4
213.09079	0.9
224.04662	0.8
225.05450	7.1
226.06197	2.3
227.06970	1.3
236.04605	0.3
237.05440	0.8
238.06329	0.5
239.03421	0.5
240.04189	0.7
240.07721	0.4
241.04921	0.5
241.06046	0.3
241.08554	4.7
252.04277	0.3
253.04947	13.4
254.05685	4.2
255.06470	0.7
256.07266	0.6
265.05115	0.4
266.05692	0.7
267.02985	0.3
268.03668	0.8
268.07294	1.8
269.08066	12.4
270.08270	0.3
271.09662	4.2
272.10181	0.3
279.02869	0.3
281.04440	6.5
282.05222	1.5
283.05988	5.3
284.06741	0.4
294.05206	0.4
297.03952	0.8
297.07532	11.0
298.04660	1.0
298.07971	0.6
299.08948	0.4
311.05450	6.8
311.08914	0.5
312.06210	3.4
327.08606	100.0
328.08960	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	326.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
56.05029	0.6
60.16985	0.5
64.29479	0.5
67.05495	1.3
68.05006	0.8
69.07053	1.1
69.22861	4.0
69.23277	1.2
70.06592	0.9
72.08135	1.1
74.46601	0.5
79.05481	3.1
80.05016	0.9
81.03406	0.7
81.07049	2.2
82.06559	0.6
83.08605	0.7
84.04034	0.8
84.04500	7.6
84.08143	0.6
85.02897	10.1
86.09695	1.8
91.05488	2.2
93.05772	0.5
93.07042	6.1
94.06558	1.7
95.08587	1.3
96.08112	0.8
98.02425	0.8
98.06055	0.5
98.21518	1.1
98.34656	0.5
98.98460	16.5
102.05544	1.4
103.05453	1.4
104.09924	0.4
105.07018	1.4
107.08566	3.3
108.08109	20.6
109.08891	1.5
109.10138	1.0
110.09679	2.8
114.05521	1.7
114.09209	0.7
119.08554	1.5
122.03630	0.7
122.09656	12.7
123.10474	2.3
130.04993	0.9
131.03409	0.6
131.04941	0.6
133.06509	1.4
133.10112	1.2
134.09636	1.1
135.11694	5.5
136.07521	0.5
136.11215	4.6
137.05969	4.2
137.13220	0.6
142.04974	0.6
142.08727	0.7
150.12769	25.4
151.13577	7.3
152.14319	8.1
153.12708	0.5
153.15015	0.6
163.07532	1.9
163.64951	0.5
166.12262	0.9
168.10065	0.5
173.13443	0.5
174.99223	1.8
176.10530	0.4
178.15886	0.6
180.06514	0.8
180.10165	0.6
182.11789	0.5
182.50319	0.5
190.15942	1.0
207.18092	0.5
208.13347	1.8
210.07594	0.8
213.12292	0.5
228.12190	1.2
236.16443	1.7
238.10750	0.9
252.12180	1.0
264.15970	1.0
282.16983	100.0
283.17355	1.7
284.18549	4.1
326.19595	46.3
327.19885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93127	0.4
52.09824	0.5
55.05496	1.0
56.05038	1.0
57.03441	0.7
57.05341	0.5
67.05513	1.3
68.05037	1.5
69.03430	1.0
69.07079	1.5
70.06599	1.3
71.05008	0.8
71.56394	0.6
72.08131	0.6
79.05499	3.1
80.05028	1.6
81.03430	2.0
81.07050	2.6
82.06580	0.8
83.04981	0.6
84.04500	6.4
85.02898	9.0
86.09702	1.0
91.05508	1.7
93.05759	0.5
93.07037	6.5
94.06566	1.2
95.06071	0.9
95.08621	1.3
96.04517	0.4
96.08149	0.6
96.98911	0.5
97.00931	0.4
97.06538	0.7
98.02413	0.7
98.98458	38.5
102.05547	1.4
105.07047	1.4
106.06636	0.5
107.08585	3.2
108.08109	21.5
109.06503	0.6
109.08926	0.5
109.10180	0.7
110.04421	0.5
110.09686	1.6
110.93177	0.4
114.05550	1.2
115.27078	0.5
116.99486	2.5
119.08599	1.1
121.08820	0.5
122.09657	11.6
122.10490	0.8
123.10447	2.2
124.11200	0.7
126.02412	0.5
127.03283	1.5
130.05020	1.0
133.10141	0.9
134.06027	0.8
134.09654	0.6
135.11681	4.7
136.11223	4.1
137.05984	0.6
150.12767	26.3
151.13547	8.1
152.14326	7.7
153.14951	0.4
161.10793	0.5
166.12289	0.8
174.99214	4.5
178.15942	0.9
182.11855	0.5
191.08165	1.8
192.08485	2.7
208.13345	1.7
210.07611	1.4
223.08965	1.3
224.09216	0.6
228.12309	1.1
236.16458	1.7
238.10803	0.6
252.12277	1.5
264.15955	0.9
280.15482	0.7
282.16971	100.0
283.17334	2.1
284.18536	2.7
308.13193	1.1
326.19580	50.6
327.19855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03924	6.2
55.01849	8.7
55.05500	17.9
55.21766	2.1
57.07051	5.3
57.64701	2.1
65.03923	2.6
67.05176	2.9
67.05494	37.9
69.03394	9.6
69.07061	15.1
69.37157	20.6
71.04964	4.3
79.05482	34.7
81.03407	2.7
81.07047	42.6
83.04973	14.6
83.08600	10.6
91.05477	45.8
93.06476	3.1
93.07036	51.8
95.04957	98.2
95.08597	32.6
97.06507	16.8
97.10147	4.0
103.05453	3.3
105.07019	53.6
107.04881	2.1
107.08570	38.6
109.06519	18.6
109.09576	2.3
109.10148	22.7
111.08022	3.9
115.05437	7.7
117.07005	24.7
119.04922	2.4
119.08562	56.4
121.06484	14.9
121.10123	24.2
123.08054	5.2
123.11657	5.0
128.06180	12.9
129.06984	18.1
130.07712	7.0
131.07736	2.4
131.08559	28.7
133.06454	3.3
133.10110	24.6
135.08060	12.1
135.11679	10.9
137.05884	5.6
137.09595	3.7
141.06960	8.6
142.07764	19.8
143.08551	32.1
144.09332	5.5
145.06409	2.7
145.09039	3.8
145.10112	46.2
146.07242	2.6
147.07979	10.8
147.11613	7.5
149.09596	7.6
151.11163	3.4
153.06917	5.6
154.07741	7.0
155.08551	17.5
156.09326	15.2
157.10107	42.4
158.07228	3.4
159.07965	9.2
159.11684	31.4
160.08760	2.9
161.09615	11.5
161.13194	7.0
163.11179	5.4
165.06984	11.0
166.07819	4.2
167.08498	9.0
168.09268	6.0
169.10107	21.9
170.10840	8.3
171.11668	41.1
172.12393	2.5
173.09598	12.9
173.13165	6.8
175.11134	4.3
177.12801	2.7
179.08571	12.5
180.09314	4.7
181.10080	23.0
182.10847	5.2
183.08014	3.7
183.11667	25.4
185.09586	8.7
185.13234	12.3
187.11186	12.0
187.14775	11.0
189.12677	6.3
192.09271	8.1
193.08604	2.7
193.10133	23.1
194.10896	10.5
195.11703	19.8
196.12453	4.1
196.54305	2.5
197.09532	3.2
197.13263	18.1
198.13913	4.7
199.11073	10.0
199.14865	3.9
203.14349	3.7
205.15845	4.3
206.10826	7.3
207.11638	16.9
208.12405	12.9
209.09454	4.0
209.13176	21.8
210.14017	3.6
211.11197	3.4
211.14769	11.6
213.12662	5.9
215.14287	3.7
218.10870	2.9
219.11627	4.4
221.13229	6.4
222.13852	6.3
223.11237	3.6
223.14778	26.4
223.16757	3.8
224.56851	2.3
225.12653	8.5
225.16380	16.7
227.14143	4.8
228.57582	2.4
231.11664	3.1
233.13199	7.6
234.13867	7.0
235.14630	4.9
237.12627	3.3
237.16341	7.3
238.17172	2.8
239.14268	2.9
239.17970	2.8
241.15910	11.1
247.14728	3.1
249.16342	13.8
251.14275	9.8
255.17436	3.5
263.17645	3.8
265.19437	2.5
267.17340	10.5
269.15305	14.3
274.17105	2.8
279.20938	8.0
281.18909	4.1
283.20496	3.9
289.19409	5.6
297.22009	6.3
307.20419	20.8
325.21487	100.0
326.21808	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23561	1.0
53.03933	3.3
53.20938	1.2
54.03459	1.2
55.05508	13.9
55.93524	1.1
56.05018	3.1
56.96545	1.9
57.03435	1.5
57.04823	1.1
57.07063	5.6
59.04979	1.5
60.04512	2.8
67.05500	12.1
69.03413	2.4
69.07069	14.3
70.02940	4.6
70.06584	3.1
71.04987	3.6
71.08623	1.3
71.57903	1.6
72.93790	1.6
73.06556	8.0
76.06306	1.1
79.05485	12.9
81.03409	2.1
81.07050	29.1
82.06559	1.8
83.04965	11.4
83.08620	5.6
85.02885	1.8
85.06535	1.3
86.06045	2.4
87.05579	3.9
87.27192	1.0
88.48234	1.3
91.05476	9.6
93.07042	20.6
95.04957	4.9
95.08604	28.2
96.04457	2.4
97.04007	25.5
97.04612	2.1
97.06511	4.9
97.10147	4.1
98.02422	1.6
98.06010	3.2
98.09695	11.0
99.00811	3.4
99.08101	1.5
105.07018	7.1
107.04952	2.8
107.08578	10.8
108.95827	1.4
109.06508	4.1
109.10149	6.3
111.08069	3.2
111.11732	2.6
113.07105	9.5
114.05518	1.5
115.05056	1.3
117.06982	1.9
119.08582	5.5
121.06562	1.3
121.10110	4.2
122.09651	1.4
123.08064	2.5
123.11674	3.1
124.11219	9.3
125.09607	6.2
125.13175	1.3
129.06976	1.6
131.08571	1.7
133.02840	3.8
133.10106	4.6
134.99638	1.4
135.07999	2.8
135.11668	9.4
137.05977	6.6
137.13245	9.8
142.05040	1.9
143.04510	100.0
143.08653	1.6
145.10129	3.7
147.04436	1.3
147.08025	1.9
147.11708	2.3
151.07611	1.4
151.11224	1.4
159.11627	1.3
161.13289	5.9
165.08948	1.4
167.14305	30.5
169.10081	2.0
169.15886	2.7
173.05981	1.1
173.13326	1.6
177.06947	1.3
178.15924	4.3
186.03127	2.2
187.11191	1.3
194.07188	2.1
201.05396	3.1
201.08820	1.3
205.06509	3.3
210.18484	10.2
221.05994	2.6
222.06573	2.8
233.05975	3.6
237.09238	1.7
239.13898	4.1
249.05417	2.6
250.06264	3.6
251.07057	2.3
251.11206	1.5
255.08405	1.5
264.07858	2.3
265.08585	4.8
269.12378	3.9
278.05725	2.2
287.13425	4.4
288.93494	1.1
292.07336	3.3
293.08038	6.7
293.18536	4.6
297.11664	1.5
303.10504	2.7
305.12137	2.4
307.09595	7.5
307.13535	5.3
325.10474	4.5
325.16113	79.3
325.21152	22.1
326.16382	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	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	3.3
55.05508	12.1
55.38844	1.4
56.05022	3.3
57.07070	2.3
57.94480	1.4
59.04978	6.9
64.23151	1.4
67.05496	17.7
69.03405	1.7
69.07073	11.9
70.02944	4.8
70.06593	9.8
70.17693	7.7
71.04975	5.4
72.04508	8.8
73.06555	60.7
79.05494	46.5
80.05003	6.2
81.03397	3.8
81.06595	2.3
81.07057	47.1
82.06577	2.8
83.04978	2.4
83.08613	4.4
85.06521	1.9
86.06047	2.5
87.04423	1.6
87.05583	13.1
91.05487	20.9
91.48203	1.4
93.07039	64.7
94.06539	3.2
95.04956	9.4
95.08609	35.5
96.04482	12.0
97.04016	14.4
97.06523	2.4
97.10154	2.0
98.02412	5.6
98.06046	3.9
98.09690	4.9
99.00799	5.1
99.08084	4.8
105.07034	14.4
107.08588	43.4
108.08114	45.7
108.08867	2.3
109.06517	5.0
109.08876	2.9
109.10162	4.8
110.09654	2.7
111.08083	2.0
113.07129	25.3
114.05524	2.6
114.72198	1.4
115.04993	2.2
115.08691	3.2
117.07031	2.2
119.08559	11.4
121.06535	1.8
121.10153	3.6
122.09663	7.4
123.08040	2.3
123.10454	2.0
124.03924	2.3
124.07577	1.7
124.11230	7.0
125.09605	9.3
129.06996	1.7
133.06073	1.9
133.10098	7.7
134.09631	4.7
135.11679	32.4
135.12703	2.1
136.11203	14.1
137.05997	3.5
137.13242	12.0
141.06602	3.1
142.04988	4.9
143.04507	39.4
145.10139	2.8
148.07590	1.7
148.11195	3.0
149.13268	2.2
150.12802	2.5
151.08701	2.3
152.14346	2.6
153.49948	1.6
154.08621	1.8
159.07698	2.5
161.13239	20.0
166.08679	4.9
167.11871	2.6
167.14316	30.2
169.06105	5.2
169.15883	2.9
176.14377	3.6
178.15919	6.9
179.11798	22.9
180.10309	1.9
180.13823	5.8
181.13248	2.0
188.14380	2.4
190.15965	3.6
197.09288	3.5
197.53105	2.0
201.08746	3.0
206.08142	4.4
208.13322	2.6
210.18535	7.2
222.11317	2.1
223.10808	21.4
224.11371	2.0
225.12283	9.4
234.14873	7.6
239.13939	9.1
249.19690	6.4
255.13431	2.5
265.08521	1.8
266.17520	14.5
276.15988	2.9
279.20709	2.8
281.22150	1.5
293.18552	44.1
307.19693	1.9
308.18790	2.2
325.21225	100.0
326.21445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56583	0.5
55.01867	0.7
55.05495	1.7
56.05022	1.1
57.03424	1.2
58.29153	0.5
61.40099	0.5
67.05121	0.4
67.05489	2.6
68.05025	1.0
68.31885	0.5
69.03416	1.4
69.07051	1.8
69.43184	0.5
70.02979	0.6
70.06580	2.2
71.56917	0.7
72.08154	0.8
79.05496	3.4
80.05006	1.2
81.03415	0.7
81.07046	3.2
82.06570	1.4
83.04952	0.8
84.04499	13.7
84.08131	2.2
85.02900	16.0
86.06065	4.9
86.09682	1.2
86.59048	0.6
87.04459	1.1
88.02218	0.5
88.03984	1.6
88.38123	0.5
89.03914	0.7
91.05482	2.9
93.05756	0.8
93.07037	7.0
94.06561	1.5
95.01313	1.4
95.04947	1.5
95.08591	1.8
96.04471	0.9
96.08107	1.5
98.06064	0.8
98.09678	0.7
102.05539	8.1
105.07017	2.1
107.04930	0.8
107.08586	2.3
108.08109	41.4
109.06518	1.3
109.08856	0.6
109.10139	0.9
110.06038	0.6
110.09669	3.8
112.03957	0.9
117.07024	0.5
119.04909	1.3
119.08585	1.6
120.08108	0.8
121.10111	0.8
122.09664	4.0
123.07986	0.7
123.10445	1.7
123.11749	0.7
124.07571	0.7
124.11240	1.5
130.04993	58.6
131.08571	0.9
133.02856	2.4
133.10075	1.0
134.09653	1.6
135.11702	5.7
137.05974	1.7
138.09097	1.1
142.05025	0.8
145.06502	0.9
147.04407	2.0
147.09129	1.2
148.04738	1.0
149.04958	0.9
150.05518	1.3
150.12761	10.6
151.13507	2.1
152.14331	83.9
153.14731	0.9
154.15884	3.9
159.11618	0.7
163.07489	0.8
165.05544	0.6
178.15906	2.4
190.15915	1.2
191.08167	1.7
191.10057	0.6
193.13399	0.7
196.16953	21.7
201.05447	1.1
208.09622	0.6
233.05984	1.3
235.18025	3.4
261.19485	0.7
264.07855	0.7
264.15933	11.2
265.08563	0.8
266.17535	0.8
279.20401	0.5
281.18579	100.0
282.18884	1.3
283.20123	1.3
292.07367	1.0
293.08157	0.9
307.09695	1.4
308.18628	2.6
325.10712	1.0
325.21191	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	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43176	0.6
55.05507	1.5
56.05028	1.4
57.03428	1.2
67.05501	1.1
68.05009	1.8
69.03409	1.5
69.07067	1.6
69.85257	0.7
70.06583	1.4
71.15939	1.9
71.91149	0.7
79.05482	3.1
80.04998	2.1
81.07038	3.4
82.06567	1.3
84.04500	15.7
84.08125	2.8
85.02898	21.0
86.06062	6.4
86.09718	1.5
87.04443	1.2
88.00494	0.7
91.00666	0.6
91.05465	2.2
93.05787	0.6
93.07031	7.3
94.06582	1.0
95.01324	2.3
95.07349	0.9
95.08576	1.7
96.08140	1.7
97.64820	0.6
98.06032	2.6
102.05541	9.5
105.07018	1.7
106.06574	0.7
107.08589	3.0
108.08109	50.2
109.08889	0.7
109.10073	1.0
110.06032	0.7
110.09672	5.3
112.03943	1.2
113.02377	0.8
114.05492	1.5
119.08579	2.5
120.08066	0.8
121.10133	1.2
122.09661	5.7
123.10421	2.1
123.11698	1.0
124.11223	1.6
130.04993	82.9
131.08612	1.2
133.02911	0.8
133.10130	1.0
134.09656	2.6
135.11662	6.0
137.05997	1.1
138.09097	1.1
140.18542	0.7
142.04977	0.7
145.12527	0.7
147.04330	0.8
150.12769	17.6
151.13611	3.3
152.14333	100.0
153.14671	0.9
154.15915	4.8
163.03879	0.9
178.15939	3.9
191.08217	1.1
193.13396	0.8
196.16959	34.0
201.05626	0.7
206.08263	0.9
235.18015	4.1
236.16338	0.9
257.60748	0.6
261.19690	1.7
264.15924	14.5
264.18445	1.3
266.17474	1.2
281.18582	93.7
282.18777	1.9
283.20135	2.9
307.20300	1.1
308.18628	5.6
325.21198	64.8
326.21701	1.2
341.64139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	3.7
55.01864	13.0
55.05503	15.6
55.14074	3.9
57.03456	4.9
57.07073	3.8
59.05003	6.9
61.72270	4.2
67.05503	46.8
69.07050	18.9
70.06589	11.5
71.04988	6.6
71.56851	5.6
72.04508	19.0
73.06554	41.7
75.76926	3.7
79.05486	45.9
79.55691	3.8
80.05019	13.0
81.03400	6.0
81.07057	58.3
83.04948	4.6
83.08638	7.3
85.02902	5.9
85.06550	6.0
86.06095	5.7
87.04462	3.8
87.05586	10.6
88.57690	3.5
89.04452	3.7
91.05497	32.9
93.05850	3.9
93.07035	57.0
94.06543	5.2
95.04975	14.2
95.08601	27.7
96.04464	6.9
97.06549	7.1
98.06042	5.7
99.04492	4.4
99.08105	4.7
103.05453	3.9
105.07035	31.1
107.08594	46.5
108.08109	97.6
109.06522	12.1
109.10142	30.2
110.09764	3.7
111.08093	10.9
113.07117	20.8
114.05586	4.6
115.08636	4.9
117.07003	4.9
119.08598	16.7
122.09660	14.1
123.08084	4.5
123.11747	7.3
124.11194	4.6
125.09621	4.8
127.07655	4.0
131.08575	12.1
133.10103	38.1
134.09641	11.8
135.11691	27.5
136.08768	3.9
136.11214	17.5
137.05966	6.3
137.09595	5.2
142.05000	5.9
145.10100	9.8
148.11261	6.6
151.08641	5.0
151.11197	13.3
161.13249	7.9
163.07628	3.9
164.19565	3.8
166.08655	15.8
167.14331	6.1
176.14304	5.2
179.11852	29.9
180.13885	7.5
183.10190	9.2
190.15974	8.9
206.08119	11.9
208.09792	5.0
222.11197	5.3
223.10744	42.5
225.12297	16.2
234.14928	9.1
235.25487	4.4
239.14001	13.0
249.19653	15.3
265.18106	5.6
266.17572	13.4
276.16010	6.7
281.22318	4.8
289.17929	7.2
293.18558	76.1
295.14014	4.1
307.09674	6.0
308.18756	7.2
325.21219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	12.4
55.01873	27.9
55.05518	34.8
55.73047	5.2
57.03424	23.6
62.52246	5.5
62.54279	5.5
65.03958	5.5
67.05238	5.7
67.05509	68.0
69.07058	25.2
69.89477	29.7
79.05496	71.1
81.03404	8.6
81.07054	100.0
81.80215	5.4
83.04973	24.0
83.08614	11.6
91.05486	61.7
93.07050	57.8
94.00395	5.5
95.04964	64.9
95.08601	54.9
97.06555	10.9
97.10139	14.1
98.07304	8.7
105.07044	45.9
107.04965	57.2
107.08588	33.2
109.06528	35.7
109.10185	29.9
111.04407	7.6
112.05268	8.0
115.05428	7.0
117.07001	19.0
119.08566	27.9
120.61967	5.7
121.06499	18.2
121.10145	20.4
122.07301	26.9
123.04394	8.4
125.09611	10.6
128.06203	10.4
129.07001	14.1
131.08542	24.3
133.06497	19.8
133.10092	14.1
135.08044	10.3
135.11659	13.2
137.09592	16.0
140.41188	5.3
143.08549	15.7
145.06496	12.8
145.10114	12.6
147.08025	19.5
159.11696	12.6
161.09601	18.5
163.07431	5.7
165.09111	10.6
171.11546	8.0
173.13193	6.9
187.10974	5.5
187.14842	10.7
203.14314	7.7
205.15804	10.6
215.14389	7.3
215.17957	9.2
233.15312	51.3
233.19026	7.6
273.18463	8.1
289.18018	7.5
290.18741	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	325.2007
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
53.03938	12.8
53.10044	3.0
55.01868	22.0
55.05504	32.9
56.96567	3.7
57.03432	44.8
65.03928	3.9
66.45846	3.3
67.05501	71.7
69.03424	13.6
69.07057	22.7
71.04990	13.4
79.05487	56.4
81.03409	30.0
81.07046	57.4
83.04990	26.2
83.08617	16.1
83.73360	3.7
85.06524	10.5
91.05475	48.1
93.07032	38.6
95.04962	31.4
95.08602	45.2
97.06532	100.0
97.10165	18.3
98.21510	7.6
104.25249	3.3
105.07030	39.7
107.04936	33.0
107.08595	36.4
109.06509	17.1
109.10152	36.0
111.04430	13.9
111.08086	9.7
113.06007	11.4
113.40211	3.7
115.05449	4.0
117.06982	18.7
119.08585	28.8
121.06536	20.4
121.10120	18.0
123.04481	5.5
123.08062	26.0
123.11710	6.2
125.05993	15.1
125.09631	8.3
127.07635	3.7
129.07014	7.9
131.08540	16.7
133.06514	6.4
133.10124	27.6
135.08020	20.7
135.11684	12.4
137.06009	7.6
137.09656	4.8
141.06963	6.4
143.08549	8.2
145.06506	16.2
145.10086	17.4
147.08049	8.6
147.11703	7.9
149.01286	3.2
149.09624	7.8
149.13268	5.2
151.07529	4.8
151.11191	8.2
153.08977	3.8
155.08548	4.6
157.10120	10.9
159.08026	31.7
159.11687	15.4
161.09628	6.9
163.11197	8.9
169.10135	8.4
171.11679	8.4
173.09628	6.0
177.09129	7.7
177.12711	6.6
179.08449	4.0
181.34840	3.7
183.11710	6.7
187.11134	18.6
187.14734	3.9
189.11147	9.1
195.11934	4.5
195.13794	4.1
197.13200	4.5
199.11142	6.6
205.06474	4.2
215.14362	4.9
225.16316	4.1
232.67725	3.5
233.15340	31.7
241.14343	14.3
251.16537	10.7
253.16028	8.0
261.18536	8.5
265.36520	3.7
271.16861	26.0
275.19943	4.8
279.20999	4.3
289.17950	80.2
289.20908	6.8
307.09500	3.9
307.19083	24.0
317.21967	3.9
325.20749	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	325.1618
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
57.55669	0.5
58.45082	0.5
69.07051	0.9
70.25382	2.3
74.68539	0.5
77.00911	0.6
79.05477	1.1
79.26460	0.6
81.07039	1.9
83.04955	0.8
86.57749	0.5
91.05466	0.8
93.07024	1.5
95.04926	0.7
95.08595	1.0
105.07025	0.7
107.08567	1.1
108.08102	1.5
115.92191	0.5
119.08576	0.9
121.10165	0.6
131.07254	0.5
135.11702	0.9
137.05981	0.8
173.06541	1.0
187.08109	0.9
201.05516	0.8
205.06543	1.0
222.06790	0.9
233.05960	0.7
237.25688	0.6
239.11351	0.9
243.14391	0.6
251.11206	2.8
265.08612	1.1
269.12311	5.3
281.17252	3.6
287.13254	2.6
307.09683	1.4
325.16199	100.0
326.16620	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	325.1644
Annotation	yanuthone I
Peak:m/z	Relative Intensity
53.03938	6.3
55.01856	10.1
55.05504	10.7
56.96563	3.2
57.03433	35.9
65.03926	4.0
65.39914	2.7
65.43813	2.6
67.05230	2.7
67.05514	33.7
69.03413	8.4
69.07057	13.5
71.04973	9.0
73.57765	3.5
79.05495	31.4
81.03406	3.1
81.07051	64.3
83.04961	8.2
85.02908	6.6
85.06533	20.8
91.05476	43.8
93.06480	4.8
93.07048	71.1
95.04963	48.2
95.08601	23.0
97.06531	20.6
98.20757	4.9
98.97570	10.7
99.04433	5.1
103.03949	24.2
103.05466	10.4
105.07026	78.2
107.04958	14.8
107.08593	40.7
109.06508	45.5
109.10169	6.0
111.08081	5.9
113.05992	10.9
115.05456	8.3
116.98625	9.6
117.05556	5.6
117.07014	19.4
119.04950	16.5
119.08572	32.0
121.06519	18.0
121.10135	9.4
121.12711	2.8
122.03651	7.0
123.04427	11.6
123.08049	7.9
124.98514	2.7
125.05989	12.3
127.07545	11.7
128.06223	7.0
129.05469	9.2
129.06993	12.4
130.07771	5.6
131.04907	12.5
131.08539	9.8
133.06488	9.1
133.10110	10.0
135.04482	4.2
135.08022	10.7
135.11716	17.8
137.05977	100.0
139.07513	7.6
141.07025	6.5
143.07005	2.8
143.08571	6.0
145.06456	8.1
145.10121	56.9
147.08098	14.3
147.11678	58.1
149.01283	3.5
149.05911	3.9
149.09514	4.3
151.07545	12.6
153.09148	3.3
155.07068	4.8
157.06488	5.0
157.08662	4.2
159.08038	6.3
159.11668	19.8
159.36903	3.1
161.05986	6.1
161.13257	8.4
163.03836	5.2
163.07545	13.2
163.11179	26.7
169.06470	11.0
169.08636	4.6
169.10066	4.9
173.09590	17.9
175.07530	41.7
177.00691	3.1
181.12215	20.7
186.02951	2.9
187.07545	3.3
187.11145	39.5
189.09039	7.0
189.12750	8.9
191.10648	17.1
193.08708	4.0
201.09172	3.9
205.06413	7.0
205.12233	19.6
207.13837	8.5
209.11716	18.0
215.10670	22.4
227.12851	4.7
228.60870	3.2
233.05934	4.9
233.11737	16.5
237.03014	3.6
250.06213	7.7
251.12807	11.4
262.14316	3.7
264.07867	3.2
265.08603	5.3
266.46277	2.8
283.75235	3.5
292.07336	6.1
293.08038	8.0
293.11310	4.4
307.09576	8.6
307.15369	5.4
325.16885	59.0
344.85608	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	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01860	2.7
55.05496	1.1
57.03410	1.8
59.92234	0.9
67.05488	3.6
69.03420	1.3
69.07059	1.8
69.61469	0.8
70.22446	4.4
71.04981	1.8
71.53390	0.8
79.05479	4.2
81.03362	1.5
81.07056	6.7
85.06534	1.3
86.09722	1.3
91.05474	13.6
93.07071	4.8
94.04176	3.7
95.04961	3.4
95.08597	3.2
97.06514	2.0
100.80460	0.9
103.03951	1.3
103.05463	6.6
104.06230	1.9
105.07009	8.1
107.04935	3.2
107.08570	3.7
107.40176	1.0
109.06494	4.9
109.10085	1.3
110.59399	1.2
115.05429	9.4
117.07011	8.9
119.04950	2.1
119.07739	1.5
119.08553	8.8
121.06554	1.3
122.03625	8.6
123.04424	1.3
123.07999	1.3
128.06218	3.9
129.07008	9.7
131.04912	17.1
131.08495	1.1
132.05696	6.1
133.06503	2.3
133.10118	1.6
135.08057	1.2
135.11671	1.7
137.05966	100.0
138.06299	1.7
139.07637	1.2
141.06989	14.5
143.04932	1.2
145.06467	5.1
145.10112	2.7
147.04326	1.4
147.08038	25.5
147.11673	4.3
151.03899	1.6
151.07484	1.6
157.06462	2.8
158.03647	1.5
158.07227	2.0
159.08156	1.1
160.05197	5.2
161.05954	6.3
163.07536	15.8
163.11171	2.3
165.95309	1.1
169.06473	24.0
173.05939	1.7
175.07539	92.1
176.06250	1.2
176.07906	1.1
177.06946	2.3
186.03104	3.3
186.06750	3.4
187.07481	3.6
187.11227	1.8
189.09100	11.9
190.07684	1.9
193.08545	1.2
194.07216	3.7
201.05376	4.6
201.09070	11.6
205.06477	8.4
205.10130	1.8
205.12129	1.1
214.32539	1.0
215.08618	1.2
218.07193	2.0
219.07985	1.5
221.05989	3.2
221.09587	1.0
222.06763	5.3
233.05966	6.8
233.09547	3.9
234.06599	1.2
237.09009	4.8
247.07651	1.2
249.05421	2.7
249.08788	0.9
250.06203	6.9
250.09822	1.6
251.06950	1.3
260.08389	1.0
261.09079	4.2
263.06967	1.3
264.07803	2.6
265.08566	8.4
265.12164	3.0
278.05688	4.2
278.09335	1.3
279.09921	1.4
292.07227	7.6
293.08041	10.3
293.11478	5.1
294.08917	1.1
297.11218	2.1
307.09692	10.8
307.18991	1.5
310.08316	0.9
325.10626	10.6
325.14310	44.5
326.10953	1.0
326.14896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96556	0.7
69.03412	0.7
70.06567	0.3
70.69879	0.4
70.70264	0.6
73.02894	0.4
85.02893	0.8
91.05465	0.7
97.02892	0.3
98.97590	0.4
107.07758	0.2
110.07184	0.3
116.98674	0.4
117.05721	0.4
118.06548	4.5
123.06689	0.3
127.03985	0.3
133.07613	4.8
145.07599	100.0
146.08395	1.6
147.09114	0.9
150.05522	1.5
150.07704	0.3
152.05673	0.8
153.06419	0.7
163.08659	62.8
164.09001	0.7
193.08406	1.2
253.67014	0.2
325.13931	56.5
326.14294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01861	3.0
55.05499	3.6
55.64679	1.1
56.96536	1.2
57.03432	2.6
61.59492	1.2
65.03935	1.5
65.52808	1.1
65.89869	1.3
67.05231	1.1
67.05505	12.2
69.03402	2.2
69.07057	4.0
69.55244	4.9
69.55669	3.2
70.06593	1.4
71.04990	3.6
72.64252	1.0
78.04699	1.2
79.05482	10.4
81.03409	2.7
81.07053	15.4
83.05003	1.4
84.04505	9.8
85.02893	2.4
86.09675	1.6
89.03916	1.3
91.05482	16.2
93.07047	11.8
94.04174	4.5
95.04961	6.0
95.08603	17.6
97.06513	3.3
103.05465	12.3
104.06223	1.5
105.03404	1.0
105.07036	11.8
107.04932	3.6
107.08600	6.9
108.05728	1.7
109.06508	4.7
109.10158	7.5
111.04438	1.2
111.08054	1.5
115.05463	8.5
117.05431	1.2
117.07014	10.7
119.04911	2.7
119.08581	10.3
119.89509	1.1
121.02850	4.2
121.06484	3.0
121.10129	2.8
122.03639	9.4
122.09658	1.6
123.08060	2.0
128.06194	4.9
129.06993	11.9
130.04147	1.8
130.04991	12.8
131.04906	22.3
131.08566	2.5
132.05725	6.4
133.02853	3.0
133.06483	1.6
133.10110	3.2
135.04391	1.5
135.08055	1.5
135.11684	3.2
137.05969	100.0
137.09599	3.0
139.07436	1.2
141.06978	13.8
143.04886	1.4
145.06499	6.1
145.10104	1.9
147.04439	1.8
147.08043	22.8
147.11656	4.5
149.06010	2.6
149.09547	1.8
149.13214	2.2
150.06693	1.3
151.03909	1.3
151.07538	14.3
151.14877	2.8
151.93764	1.5
157.06451	3.9
158.07298	1.9
158.69991	1.2
159.11772	1.1
160.05162	5.2
161.06017	7.1
161.13200	3.3
163.07541	23.9
163.11201	1.3
165.06987	4.4
169.06494	26.0
173.05972	4.7
173.09631	1.4
175.07542	86.1
175.11084	2.5
176.07846	1.3
177.06989	3.6
178.07759	2.2
179.14250	2.3
183.08031	1.3
186.03096	3.0
186.06715	4.3
187.07556	4.6
189.09047	9.3
190.07698	2.9
191.08614	1.2
193.06473	2.1
193.08588	1.1
193.12245	2.3
194.07274	4.0
195.08130	2.1
201.05441	6.3
201.09108	11.6
203.08618	1.3
205.06419	7.9
205.10112	2.7
206.07343	1.3
207.08034	1.9
211.07582	1.4
215.08620	1.1
215.10609	1.3
218.07266	1.9
219.08011	4.0
221.05962	4.6
222.06664	7.9
233.05927	6.1
233.09612	6.8
234.06715	1.8
235.07518	2.6
236.04756	1.4
236.08296	2.6
237.09074	7.9
239.06914	2.0
247.07466	3.0
249.05470	4.0
250.06216	8.2
251.06911	3.2
251.10612	1.3
253.08514	2.0
261.09036	3.9
263.06891	2.0
264.07806	4.3
265.08594	17.6
265.12006	3.6
266.09222	1.1
267.06497	1.9
269.11725	2.0
278.05743	3.1
278.09143	1.9
279.06604	1.2
279.10193	2.6
282.08780	2.6
292.07361	8.4
293.08051	18.1
293.11584	7.6
294.08795	2.7
297.11133	5.0
307.09506	11.7
308.15109	1.3
310.08258	1.8
325.10635	20.8
325.14340	41.5
325.21024	3.0
326.11209	2.5
326.14722	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1068
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
52.25397	1.8
53.03953	2.3
55.01873	6.0
55.05515	5.5
57.03440	12.6
64.53515	2.1
65.03917	2.4
67.05505	11.1
69.03411	3.3
69.07065	4.0
69.35471	11.5
69.35899	9.3
71.04987	6.4
79.05492	18.4
81.03413	3.2
81.07051	20.1
83.04979	4.4
85.06548	5.5
89.03942	2.1
89.81957	2.6
91.05485	24.8
93.07040	27.6
94.04208	4.0
95.04968	19.2
95.08625	7.4
95.14922	2.2
97.06545	9.5
98.20779	4.6
98.97610	3.8
99.49491	2.0
103.03961	7.6
103.05464	12.3
105.07028	27.9
107.04947	5.9
107.08593	16.1
109.06536	13.9
115.05462	16.3
116.98656	3.1
117.05537	3.1
117.07018	10.8
119.04922	14.5
119.08564	13.7
121.02851	2.6
121.06531	6.7
121.10170	4.7
122.03639	9.7
123.04436	4.7
123.08096	2.9
125.05981	4.2
127.07549	4.2
128.06223	3.5
129.05504	3.3
129.07039	7.1
130.04181	3.9
131.04915	17.0
131.08598	4.5
132.05710	2.2
133.02910	2.2
133.06502	4.7
133.10104	4.0
134.03645	2.4
135.08154	2.0
135.11722	6.4
137.02336	2.4
137.05975	89.0
138.06349	3.6
139.07587	2.1
141.05423	2.1
141.07028	7.3
143.04924	4.6
145.06465	9.5
145.10135	19.6
147.04445	4.8
147.08049	16.6
147.11658	20.3
147.12646	2.2
149.05978	6.5
149.09637	3.0
150.06761	5.4
151.03955	5.9
151.07538	10.5
157.06456	3.4
158.03629	10.4
159.08060	3.5
159.11771	7.2
160.05249	4.2
161.05920	3.2
161.13316	3.2
162.03128	2.1
163.07536	11.7
163.11209	13.2
165.07033	9.5
166.07838	4.6
169.06490	15.1
169.08734	2.1
169.10196	2.6
173.05977	14.1
173.09637	5.3
174.06833	2.6
175.04005	6.1
175.07547	52.1
175.11276	1.8
176.06250	8.2
177.05571	3.4
177.06956	20.7
178.07787	4.0
181.06491	2.2
181.12213	6.0
183.94679	2.4
186.03139	28.3
186.04749	2.6
186.06842	2.3
187.07581	3.9
187.11165	10.3
189.07123	2.0
189.09149	7.6
189.12717	3.3
191.08650	3.2
191.10732	4.7
193.06555	3.7
193.12132	2.2
194.07227	23.2
194.08842	2.1
200.04745	3.1
201.05446	39.8
201.09186	6.8
202.07840	2.7
203.06963	2.2
204.05731	6.2
205.06494	52.8
205.12288	4.7
206.07201	5.4
207.08136	3.1
209.09785	2.7
209.11792	4.2
209.84683	2.1
211.07573	5.6
215.10695	6.0
218.07445	2.4
219.08076	9.4
221.05949	29.1
221.09610	3.1
222.06732	37.6
223.07489	3.4
227.06996	4.5
231.08034	2.4
232.05313	3.8
233.05971	49.5
233.09567	3.9
233.11716	4.8
234.06729	11.1
235.07457	3.9
236.04779	3.5
236.08363	3.0
237.09106	32.5
239.07033	9.9
247.07533	10.2
248.08357	3.3
249.05446	23.1
249.07954	2.0
249.09116	2.8
250.06248	43.9
250.08751	3.2
251.06999	8.1
251.12866	3.5
253.08603	3.3
260.04880	2.0
261.05545	5.2
262.06378	3.4
263.07239	3.0
264.07782	21.4
265.08594	59.9
266.09360	7.6
267.06439	10.0
275.07199	2.4
275.34940	2.3
277.05063	8.6
278.05737	22.4
279.06543	3.5
279.10217	10.2
281.08096	2.8
282.08893	7.9
292.07321	44.8
293.08066	67.9
293.11411	3.5
294.08771	4.6
295.06274	4.3
297.11197	17.1
307.09641	100.0
308.10077	4.3
310.08405	7.2
325.10779	67.1
325.14236	14.4
325.16724	14.1
326.10892	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	325.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
64.69897	0.3
65.03923	0.4
67.05503	2.5
70.04182	0.2
70.40643	0.7
71.82542	0.3
72.58400	0.3
75.28322	0.2
79.05490	0.5
94.06567	9.4
95.04908	0.3
106.06546	3.8
120.15897	0.3
122.06027	8.3
123.06812	0.3
133.07587	0.4
134.06020	4.0
136.07544	1.6
138.05539	0.4
148.03951	1.6
149.07092	3.5
150.05499	100.0
151.05948	1.0
151.08659	3.9
152.07053	2.7
158.57503	0.3
161.07117	1.6
162.05524	0.5
166.04976	0.3
168.06546	3.1
177.06573	0.6
178.07381	0.5
179.08182	1.8
189.06552	1.0
207.07571	0.5
217.06081	0.9
233.05542	0.9
251.06653	0.7
325.10513	1.6
332.24185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2895
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03938	0.9
55.05508	6.5
57.03422	0.4
57.07076	1.6
57.79166	0.3
60.04527	0.4
62.06087	100.0
63.06426	0.4
64.72131	0.3
65.03931	0.6
67.05502	18.5
69.07066	6.9
70.02950	0.9
70.03962	1.8
71.04960	0.4
71.08630	0.9
79.05492	4.9
81.07055	16.7
83.04981	0.4
83.08624	2.8
85.06543	0.6
85.10213	0.4
91.05492	3.2
93.07048	4.7
95.04979	0.6
95.08604	14.7
97.06548	1.5
97.10149	2.0
98.06060	1.1
105.07025	2.2
107.08590	2.2
109.06524	0.4
109.10159	5.4
111.08083	0.5
111.11705	0.4
112.07586	0.4
119.08598	1.5
121.10139	2.2
122.31738	0.4
123.11714	2.5
124.14435	0.3
133.10121	1.6
135.11751	1.1
137.13268	1.0
141.88292	0.3
146.15677	0.4
147.08083	0.3
147.11710	1.0
149.13316	0.7
151.14827	0.5
152.03406	0.4
161.13310	0.6
163.14827	0.6
175.14899	0.7
179.18001	0.6
181.16054	0.4
245.22556	1.6
263.23755	1.0
306.27866	3.2
307.26224	3.0
324.28943	10.0
325.29575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07074	3.0
58.38765	0.4
63.87602	0.3
67.05496	0.4
69.07066	2.1
70.61738	0.5
70.62068	1.1
71.08612	1.9
82.89999	0.4
84.08113	0.7
86.09705	26.9
95.08601	0.4
96.75658	0.4
107.23843	0.4
110.07188	0.6
110.78900	0.4
112.07617	0.8
119.72112	0.4
142.12231	1.0
156.13815	0.9
170.15367	0.5
215.60989	0.4
228.15402	0.4
324.32593	100.0
325.32965	3.8
339.28348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1955
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02379	0.3
51.93518	0.3
52.75361	0.3
53.03936	0.9
53.77716	0.2
56.18354	0.3
62.50154	0.3
64.87569	0.3
69.37289	1.9
69.37709	0.9
77.03911	0.5
79.05490	22.1
90.94810	0.3
91.05478	0.8
93.07072	1.8
95.04965	1.5
103.05462	44.0
104.05778	0.4
105.04523	0.3
105.07036	3.4
107.04949	23.1
108.05269	0.4
118.06539	6.7
121.06507	1.2
131.04926	12.3
132.08072	2.5
133.08865	1.2
134.09630	0.5
146.09619	2.8
147.10538	0.4
149.05952	0.6
160.11237	0.9
160.58838	0.4
176.14340	51.5
177.14688	1.1
189.15147	0.5
190.08646	0.4
204.10208	0.4
280.13257	0.6
301.07166	0.5
324.19556	100.0
325.19904	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
55.01876	3.2
55.05502	13.5
57.03430	1.8
57.07066	2.7
65.03932	3.7
67.05500	94.2
69.07061	12.6
69.67226	5.0
69.67650	7.8
71.04993	2.7
73.70582	1.9
79.05493	28.5
81.07053	100.0
83.04992	1.8
83.08613	11.1
85.06513	2.4
91.05487	16.0
93.07037	31.2
95.04973	4.9
95.08604	72.9
96.81368	1.5
97.06567	1.8
97.10176	4.7
98.20776	3.1
99.04429	2.4
105.07047	10.5
107.08599	21.3
109.06535	2.5
109.10154	37.9
111.08063	1.8
111.73262	1.5
111.74048	1.5
117.07052	5.3
119.08572	10.5
121.10137	16.0
123.11708	21.6
125.09649	5.8
131.08588	11.0
131.32242	1.9
133.10135	5.9
135.11688	12.7
137.09637	2.0
137.13255	8.0
145.10077	9.0
147.11702	4.0
149.09596	2.5
149.13263	8.2
151.11284	1.9
151.14778	2.0
159.11647	8.1
161.13280	4.2
163.14819	6.4
173.13289	7.3
175.14928	2.1
177.12816	3.0
177.16400	3.3
187.14838	5.0
191.14323	2.0
201.16330	2.8
220.43044	1.9
243.21017	9.0
261.22128	32.4
271.29181	1.9
291.19516	5.3
323.12842	2.2
323.25815	24.4
324.25378	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.91351	1.6
55.01854	5.3
55.05492	3.8
57.03433	32.5
57.07046	2.3
60.44008	2.0
62.06088	2.7
62.50985	1.8
67.05493	27.6
69.03401	2.4
69.07055	3.9
70.64745	2.7
71.04990	3.5
79.05495	11.1
81.03433	2.1
81.07077	10.1
83.08588	2.8
85.06536	30.3
91.05478	10.5
93.07026	10.5
95.04964	37.8
95.08592	7.1
105.07018	6.1
107.04972	2.9
107.08573	9.6
109.06511	29.1
113.05998	100.0
117.07011	6.5
119.08588	2.7
121.06529	1.7
121.10129	5.1
123.08098	2.0
131.08545	8.2
133.10143	3.4
135.08038	26.2
135.11714	4.3
145.10114	3.6
147.08022	2.5
149.09599	2.9
157.10146	4.8
159.11664	5.1
161.09641	3.6
163.11232	3.3
171.11578	2.4
177.26381	1.8
183.11795	1.9
217.15799	9.3
255.17517	3.3
273.18390	13.2
291.19516	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	19.7
55.05511	43.8
56.18002	5.8
57.03437	7.1
59.86864	4.7
61.63573	5.7
67.05507	62.4
68.47028	5.7
69.07056	33.8
69.49537	32.3
69.49959	14.1
71.04975	5.4
79.05496	45.9
81.03432	7.4
81.07056	89.9
82.86693	5.4
83.04983	19.1
83.08624	15.6
87.34492	6.0
91.05478	74.4
93.07044	82.9
95.04951	17.9
95.08598	50.6
95.89642	6.4
97.06529	15.1
97.10162	9.0
105.07020	55.4
107.04935	18.1
107.08601	42.1
109.06509	18.4
109.10178	48.4
111.04469	16.0
111.08067	16.8
117.06952	8.2
119.08575	25.7
121.06493	23.7
121.10129	19.9
123.04418	6.1
123.08106	8.1
123.11719	11.0
129.07021	8.0
131.08546	25.1
133.06482	10.4
133.10133	58.5
135.08054	12.5
135.11703	17.9
137.05954	9.8
137.09637	13.9
139.07547	20.3
143.08566	12.8
145.10120	16.4
147.08015	13.0
147.11705	8.3
149.09650	9.4
151.11165	54.7
157.10182	6.5
157.12489	7.2
159.11700	6.8
161.09587	20.6
161.13293	6.1
171.11736	9.7
173.09499	6.2
173.90001	5.8
179.10707	7.4
183.13811	14.0
198.97260	5.7
207.13805	5.5
245.19040	18.1
255.17372	7.1
263.20059	19.6
273.18500	53.3
291.10257	13.1
291.19556	100.0
305.20935	8.0
323.22330	27.0
333.72278	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.7
55.01870	13.4
55.05508	42.8
57.03447	5.7
57.07068	6.2
67.05502	75.9
69.03424	11.0
69.07059	31.8
70.66541	8.2
71.01382	3.3
71.04990	4.8
76.57725	4.1
79.05483	42.3
81.03432	4.7
81.07053	100.0
83.01350	6.9
83.04958	20.5
83.08613	16.9
85.02916	4.9
85.06538	9.4
89.57902	3.0
91.05479	61.1
93.07041	65.7
95.04956	21.8
95.08608	39.6
97.06526	12.2
97.10177	3.7
99.08069	5.2
102.40774	3.3
105.07027	58.2
107.04932	17.2
107.08584	45.5
109.06522	17.9
109.10149	42.7
111.04424	9.5
111.08086	11.9
117.07020	16.0
119.08607	25.3
121.06490	22.8
121.10139	16.4
123.08074	7.2
123.11726	14.4
125.05982	3.8
125.09646	4.3
129.07050	11.1
131.08615	20.0
133.06506	20.7
133.10124	82.0
135.08054	10.1
135.11682	13.6
137.05965	10.6
137.09596	6.4
139.07521	7.1
143.08580	9.9
145.10121	12.1
147.08057	14.8
147.11742	12.0
148.94839	3.4
149.09630	12.7
151.11186	64.6
157.10150	6.4
159.11636	6.5
161.09648	14.1
167.10672	5.0
171.11729	10.5
175.11133	4.2
177.09074	5.8
179.10634	9.6
183.13766	16.9
185.13266	3.6
189.12817	6.0
199.11159	4.6
203.14107	4.0
217.12337	7.1
245.19095	22.4
261.48175	4.0
263.20102	18.6
273.18463	39.2
274.99545	3.6
291.19540	77.6
292.19836	3.8
305.21088	9.2
322.48102	4.5
323.22247	32.7
323.25760	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01875	7.2
55.05507	37.5
57.03428	1.8
61.54236	1.2
62.06087	13.0
62.35037	1.1
63.06391	2.3
67.05500	23.6
69.03416	5.4
69.07066	16.6
71.04980	1.7
71.57848	1.3
71.58322	1.7
79.05487	25.8
81.03410	4.5
81.07053	26.0
82.07407	1.6
83.04976	5.6
83.08616	19.5
86.43071	1.3
91.05478	15.2
91.61681	1.3
93.07041	18.3
95.01317	1.5
95.04952	9.2
95.08601	11.9
97.02871	2.6
97.06467	2.8
97.10168	28.5
105.07018	11.1
107.04939	5.7
107.08585	18.7
109.06528	2.6
109.10134	6.8
111.30432	1.5
115.05495	1.3
117.07021	5.8
119.04903	2.1
119.08593	9.0
121.10151	4.0
123.08070	7.3
123.11714	1.3
125.09620	27.1
129.07007	4.7
131.08537	9.0
133.06537	5.7
133.10156	5.0
134.10574	1.2
135.08066	7.7
135.11659	2.3
136.35098	1.3
137.09589	3.9
143.08537	2.5
145.10132	5.4
147.08047	4.8
147.11681	4.1
149.09618	2.9
153.09105	4.7
155.08574	1.5
157.10144	2.5
157.12230	2.7
159.11673	1.9
161.09634	1.6
162.10321	1.2
163.11229	2.3
165.09135	4.4
171.11752	2.9
175.11189	1.5
192.73758	1.3
203.12753	12.4
223.13272	8.4
245.19080	1.5
249.14822	1.9
255.17593	1.7
273.18463	12.5
291.19516	100.0
292.19952	2.8
305.21078	28.0
307.60376	1.7
323.22220	11.6
323.27863	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05500	4.5
57.03429	1.8
58.01108	1.7
67.05482	6.7
69.03411	2.8
69.07047	5.7
69.87769	10.3
71.04973	2.2
79.05480	7.8
81.07057	12.8
83.04967	4.0
83.08624	1.5
83.81280	1.6
85.06503	1.7
86.94580	1.5
90.39514	1.5
91.05465	5.0
93.07028	6.3
94.04180	3.2
95.04982	2.6
95.08591	10.4
97.06537	2.1
97.10180	2.0
103.05458	2.8
104.86078	1.5
105.07022	16.8
107.04953	1.9
107.08579	6.2
109.06490	4.1
109.10138	8.0
112.86520	1.4
115.05424	4.2
117.03374	3.6
117.06989	2.1
118.04153	1.9
119.08590	3.4
121.10130	3.8
122.03618	5.4
123.11693	3.3
125.05930	1.8
128.06221	3.3
129.50301	1.5
131.04933	3.0
133.06471	10.3
133.10118	5.3
135.11700	3.7
136.07574	3.1
137.05960	45.8
139.05460	2.7
145.02792	5.3
146.03587	12.6
147.04410	3.7
147.11584	2.0
149.05968	2.1
151.90538	1.6
159.11722	1.9
161.05975	100.0
162.06555	1.8
163.11157	1.6
164.06973	2.8
165.12735	2.5
173.35110	1.7
177.05428	11.1
182.08076	2.5
184.05312	3.6
189.16275	2.3
191.08620	7.4
192.09349	2.2
199.07539	15.7
202.07773	25.8
203.08548	44.1
204.09073	2.1
205.06371	3.4
206.07172	2.0
219.08073	13.9
220.08792	12.5
230.07262	5.1
231.08041	58.2
232.08647	9.6
233.06071	2.6
235.07521	1.7
245.09561	2.6
247.07542	9.8
248.08299	28.7
249.08937	3.8
258.06750	6.1
259.07538	45.4
260.08286	21.3
261.08978	4.2
263.10669	29.9
265.08551	4.5
273.09186	2.1
274.09595	1.8
275.07062	5.9
276.07782	22.0
277.08469	8.4
280.10974	1.9
290.09293	2.5
291.10135	81.2
292.10721	10.2
293.08105	5.8
295.13287	3.2
308.10419	6.9
323.12750	79.6
324.12891	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	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.00809	0.6
55.05487	1.0
67.05469	1.7
69.03411	0.8
69.07048	0.9
69.46838	2.2
69.47272	2.3
71.04964	1.4
79.05456	1.8
80.29538	0.5
81.07027	2.1
81.29950	0.5
83.08617	1.1
85.02886	1.6
86.24821	0.5
91.05478	5.6
93.07016	2.0
95.04949	1.6
95.08575	1.8
97.79946	0.5
105.06978	1.3
106.60822	0.5
107.08559	1.4
109.06507	0.6
109.10114	0.8
117.07042	0.5
119.04120	0.7
119.04938	13.4
119.08569	0.7
121.10098	1.2
133.10107	1.0
137.05960	0.9
147.04402	55.0
148.04671	1.6
149.05920	0.5
153.06934	0.9
161.05946	1.0
165.06931	0.8
167.04948	0.7
175.07616	0.6
179.08559	1.0
181.06483	1.7
184.53195	0.5
185.13272	0.6
187.07452	0.8
189.06857	0.8
191.08493	2.1
192.09325	1.2
197.05981	1.3
198.06764	3.2
199.07520	2.7
202.07771	6.4
203.08545	23.0
204.09157	0.9
205.06500	4.6
205.10046	0.6
206.07088	0.8
207.08142	0.6
208.05139	0.6
208.08952	0.6
209.05890	0.7
209.09595	1.0
210.06731	1.8
211.07545	1.4
215.08539	0.6
219.08052	7.5
220.08829	8.4
221.09557	2.0
222.06717	0.9
223.07626	1.0
224.08282	1.4
225.05476	0.7
226.06293	4.1
227.06949	0.6
230.07248	0.8
231.08035	23.3
232.08818	6.4
233.05972	5.3
233.09590	1.1
234.06772	2.2
235.07527	1.5
235.11264	1.1
236.04654	1.2
237.05420	1.5
237.09093	5.2
240.07779	1.2
241.08551	13.3
242.09370	0.5
243.08078	0.6
245.09608	1.8
247.07526	6.2
248.08318	38.7
249.05370	0.9
249.09042	8.4
250.06303	3.1
251.07010	4.2
251.10686	1.2
252.07802	1.3
252.11499	1.0
254.09343	1.1
255.06450	1.2
258.06647	0.9
259.07535	9.2
260.08292	4.7
261.03021	0.6
261.05603	2.5
261.08850	2.8
261.86771	0.5
262.06445	3.4
262.09848	5.4
263.10672	25.1
264.07828	3.2
264.11166	1.7
265.05170	0.8
265.08600	8.9
266.09152	0.6
267.10129	0.8
269.08075	8.7
270.08710	1.3
273.09061	1.3
274.09921	0.7
275.06995	2.0
275.10394	1.1
276.07803	26.5
277.08566	19.3
277.11652	1.3
278.05670	2.8
278.08835	0.8
279.06482	4.4
279.10037	2.8
280.07242	2.3
280.10913	3.8
281.07794	0.6
290.09311	3.0
290.50201	0.8
291.10138	71.5
292.07321	2.0
292.10803	16.8
293.08084	12.8
293.11310	1.0
294.08850	6.8
295.09637	5.6
295.13251	3.3
305.11670	9.9
306.12155	0.9
307.09607	6.5
308.10419	14.5
309.10529	0.9
323.12759	100.0
324.13165	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01854	0.9
55.05502	1.7
56.96552	2.3
67.05489	2.5
69.07053	1.8
69.43279	2.0
69.43674	9.8
71.04969	1.0
79.05493	3.0
81.07048	2.8
83.04990	1.0
83.08580	1.2
85.02880	1.7
86.09678	1.4
90.52040	0.9
91.05455	3.3
93.07038	1.7
95.04962	2.0
95.08585	1.8
97.02961	1.5
97.06509	1.4
97.32773	1.0
98.97588	1.4
105.07027	4.3
107.08565	1.8
109.02839	1.2
109.06492	1.8
113.78641	1.0
115.05456	1.2
116.98617	1.4
119.04961	2.3
119.08562	1.2
122.03668	2.0
128.06190	1.4
128.98643	1.1
131.04913	1.2
133.06468	2.5
133.10077	1.4
135.11710	1.2
137.05972	19.8
141.06987	1.3
146.03595	1.6
147.04425	7.2
149.05914	1.3
161.05994	12.5
165.06859	1.2
171.08070	1.5
175.07587	2.3
176.14229	1.5
177.05470	2.2
181.06471	1.4
191.08536	3.3
192.09254	2.2
198.06721	2.9
199.07513	9.5
202.07773	9.9
203.08553	29.9
204.09109	1.8
205.06516	3.7
205.10054	1.1
210.06723	1.6
211.07526	1.1
215.08447	1.5
218.07378	1.3
219.08020	9.5
220.08810	11.5
221.09592	2.1
226.06239	2.4
230.07344	2.9
231.08043	29.8
232.08763	6.6
233.05957	4.5
233.09505	2.0
234.06693	4.2
235.07584	1.6
235.11098	2.0
236.04532	1.4
237.02870	2.5
237.05267	1.6
237.09132	6.1
240.07903	1.1
241.08572	11.0
245.09407	2.5
247.07603	7.8
248.08328	45.4
249.06578	1.4
249.08954	9.1
250.06340	3.3
251.06960	3.7
251.10646	1.2
252.11432	1.8
253.53995	1.1
258.06546	1.3
259.07516	16.7
260.08313	7.2
261.05536	2.3
261.09042	4.2
262.06232	3.8
262.09802	5.7
263.10648	27.7
264.08008	1.9
264.11221	3.2
265.05658	1.7
265.08572	10.4
266.09244	1.1
269.08060	8.1
273.09106	1.7
275.07095	2.1
275.10583	2.0
276.07791	28.9
276.10794	1.6
277.08545	18.2
278.05646	2.9
278.08853	1.1
279.06473	4.1
279.10077	3.2
280.07529	2.2
280.10864	2.9
290.09393	3.7
291.10132	80.5
292.07556	2.2
292.10825	16.9
293.08182	12.1
293.11224	1.3
294.08734	4.5
295.09549	4.3
295.13281	4.4
305.11655	9.6
307.09692	8.2
308.10385	16.1
323.12732	100.0
324.13092	5.0
339.29449	1.1
341.09183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
52.42265	1.0
52.69696	0.9
53.03932	1.4
55.05490	1.6
64.15581	0.9
67.05482	4.2
69.07050	2.6
70.22065	3.5
79.05467	6.1
81.07044	6.2
83.08601	1.6
91.05480	7.8
93.07031	3.7
94.04153	1.7
95.04948	3.2
95.08605	4.5
96.65781	0.9
97.06532	0.9
99.08067	1.1
99.70979	1.1
103.05447	3.5
105.07027	13.2
107.04963	8.7
107.08557	2.3
109.06515	3.9
109.10136	1.5
115.05435	4.4
117.06939	1.0
118.04144	1.1
119.04901	2.3
119.08558	4.2
121.06453	1.6
121.10094	1.9
121.23126	1.0
122.03654	2.9
123.11736	1.1
128.06197	3.2
129.06978	2.4
131.04874	2.8
131.08539	1.0
133.06473	10.4
133.10046	1.4
135.08005	1.0
137.05969	30.7
137.13210	0.9
139.05374	1.5
143.08516	1.2
145.06468	1.1
145.10159	1.4
146.03633	6.5
147.04402	12.2
147.11610	1.1
153.06918	1.1
157.10138	1.8
159.08002	1.3
161.05969	71.8
162.06374	1.4
165.06927	1.1
167.04849	2.0
171.08052	1.6
171.11575	1.3
175.07455	1.1
177.05501	1.4
178.07645	1.2
184.05208	1.4
185.13211	1.2
189.06982	1.4
191.08556	5.9
192.09302	3.2
199.07516	14.6
202.07741	23.2
203.08540	33.7
204.09021	1.9
205.06442	3.7
207.08083	1.1
213.06964	1.7
215.08548	1.7
219.08003	12.9
220.08803	13.2
222.06746	1.7
229.06503	1.4
230.07231	5.7
231.08031	49.5
232.08786	10.7
233.05998	1.5
233.09537	1.6
234.06439	1.2
235.07549	1.1
235.11143	3.1
237.09087	1.8
245.09528	1.9
247.07578	10.9
248.08315	28.6
249.09038	3.1
258.06787	3.3
259.07516	45.2
260.08292	26.0
261.08896	2.6
262.09973	1.5
263.10666	24.6
265.08545	2.6
266.13461	1.0
273.08838	1.5
275.07114	6.5
276.07797	21.2
277.08478	6.1
280.10785	1.4
291.10126	100.0
292.10699	11.2
293.08017	3.7
295.13156	2.7
308.10522	4.6
323.08957	1.5
323.12732	47.7
323.27164	1.7
324.13080	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	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.02360	1.0
51.12970	0.9
51.47823	0.8
55.01861	1.6
55.05489	2.6
57.03422	1.4
61.65554	0.9
65.03900	1.1
67.05486	3.7
69.03425	1.5
69.07079	4.8
70.14079	3.1
70.14485	2.0
70.72948	0.8
71.04983	1.7
79.05479	6.9
81.03419	1.2
81.07040	7.7
83.08582	1.3
91.05475	11.0
93.07035	4.2
94.04195	4.9
95.04946	2.8
95.08574	4.2
97.02935	1.3
103.05453	3.6
105.07036	14.1
107.04932	3.7
107.08575	4.0
109.06499	8.4
109.10129	3.3
115.05471	6.9
117.03378	1.9
117.07030	1.3
118.04171	2.2
119.04948	5.1
119.08619	2.1
121.06528	1.3
121.10130	2.4
122.03640	10.7
122.18372	1.1
123.04433	1.3
123.11711	1.4
128.06227	5.7
131.04935	2.4
132.05580	0.9
133.06496	7.6
133.10085	1.3
135.01721	0.8
135.08061	1.1
137.05972	100.0
137.09584	1.9
138.06319	2.8
141.07007	1.4
145.02800	1.5
145.10120	1.1
146.03651	8.5
147.04414	20.8
149.05954	3.3
151.03964	1.4
151.07503	1.4
156.05685	2.5
159.08138	1.3
159.11667	1.3
161.05971	66.6
162.06653	1.9
165.07034	1.7
167.04895	1.1
167.07040	1.9
168.05670	2.7
171.08015	3.0
174.10641	0.9
175.07487	1.6
177.05443	2.8
177.06906	1.1
184.05171	5.8
185.06041	1.5
189.07030	2.6
190.07840	1.1
191.08527	4.8
192.09357	3.0
199.07529	39.0
202.07767	25.5
203.08548	39.6
204.09233	3.8
205.06439	3.7
206.07178	1.2
207.08061	1.5
207.11610	1.2
209.09477	1.1
215.08635	1.2
217.70691	0.9
219.08066	13.1
220.08832	12.6
221.09479	2.5
229.06528	1.1
230.07260	3.6
231.08035	46.4
232.08751	9.8
233.05962	1.8
233.09575	2.6
234.72359	1.0
235.07556	1.4
235.11206	2.1
237.09044	2.4
245.09634	2.1
247.07594	9.3
248.08330	26.0
249.08994	5.3
250.06274	1.2
258.06821	2.5
259.07529	35.2
260.08301	16.1
260.12857	1.6
261.09018	2.5
262.09952	2.0
263.10669	26.1
263.13278	2.0
264.07492	0.9
265.08612	2.8
273.09134	1.5
275.07043	3.9
276.07800	15.3
277.08560	14.2
280.11282	1.2
291.10138	63.8
292.10852	17.8
293.08145	6.1
293.11209	1.5
295.09933	1.7
295.13293	6.6
308.10468	6.0
323.09329	2.7
323.12738	54.6
324.13083	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	323.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76159	0.7
56.05026	0.7
56.96551	1.1
60.05656	0.8
69.03413	1.0
69.58622	4.9
70.06580	1.8
71.34157	0.6
72.08153	1.1
84.04482	1.0
84.08129	0.9
85.02880	1.0
85.84695	0.8
86.09679	0.7
88.03968	1.1
91.05476	1.4
95.38317	0.7
98.20689	0.6
98.97575	0.8
118.06516	2.6
118.98204	0.7
119.04938	1.2
120.08022	0.7
123.94858	0.6
127.34929	0.7
128.04942	7.8
130.06500	1.6
132.04456	0.7
138.71100	0.6
146.05995	100.0
147.04399	2.5
147.06311	1.6
148.03926	2.0
151.07553	0.8
158.06010	2.4
162.05505	1.3
172.03929	1.7
263.10352	0.9
291.09839	0.7
323.12262	1.8
323.19217	1.0
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
55.01859	0.4
55.05497	0.6
57.03426	0.6
57.07069	0.3
58.06587	0.3
59.45701	0.2
65.03925	0.9
67.05502	1.1
69.03423	0.4
69.07059	0.8
69.68731	0.9
69.69161	0.7
71.04978	0.2
71.09587	0.2
71.74541	0.2
72.08158	0.3
79.05497	1.2
81.03398	0.4
81.07053	1.8
85.02900	0.6
89.03902	0.2
91.05482	8.8
93.07052	1.2
95.01338	0.2
95.04953	0.7
95.08585	1.4
97.02896	0.4
98.97567	0.2
100.01830	0.2
105.07034	1.1
107.04953	0.4
107.08581	1.1
109.06539	0.5
109.10139	0.8
111.11695	0.2
117.07000	0.3
118.27793	0.2
119.04936	23.4
119.08591	0.7
120.05293	0.3
121.10154	0.7
129.07024	0.3
131.04929	0.3
131.08496	0.4
132.10214	1.1
133.06494	0.4
133.10219	0.4
135.08110	0.3
135.11705	0.2
137.05981	1.4
137.09573	0.2
141.01834	0.3
143.67952	0.2
145.02850	0.5
145.06299	0.2
145.10114	0.4
147.04404	100.0
148.04726	1.4
149.05969	0.3
159.11696	0.2
161.05995	0.6
161.09534	0.2
163.11162	0.3
165.05569	0.3
177.05493	1.0
199.07458	0.3
202.07881	0.3
203.08588	0.4
220.08876	0.3
230.05763	1.0
230.21126	0.8
231.08086	0.4
231.21483	0.5
243.06473	0.2
248.08420	0.3
249.14601	0.2
259.07584	0.2
262.65286	0.2
267.58447	0.2
269.04553	0.3
276.07898	0.3
291.10178	0.9
305.24661	0.2
322.25815	1.1
323.07678	2.1
323.12839	0.8
323.26166	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
65.03923	0.9
67.05505	0.2
69.03455	0.2
70.06590	0.3
71.01358	0.2
72.08162	0.3
85.02905	0.7
91.05481	8.9
93.07047	0.2
95.01326	0.5
97.02857	0.3
99.00840	0.2
104.70859	0.2
107.04966	0.3
108.08144	0.2
119.04942	23.8
120.05265	0.2
131.04924	0.3
141.01857	1.2
145.02910	0.3
147.04407	100.0
148.04779	1.0
165.05481	0.4
168.26627	0.1
177.05447	0.5
185.05988	0.2
202.06163	0.2
202.07813	0.2
203.06927	0.2
203.08630	0.5
207.07741	0.2
215.06905	0.3
220.08578	0.2
229.51779	0.2
230.05702	0.9
231.08029	0.5
248.08441	0.8
263.10602	0.5
265.08688	0.1
276.07852	0.5
287.64993	0.2
291.10059	1.1
293.07983	0.4
305.11548	0.2
308.10489	0.3
323.07565	2.2
323.12567	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13977	0.1
59.34177	0.2
65.03934	0.7
69.07075	0.2
69.62933	0.7
69.63344	0.5
70.06590	0.4
72.08149	0.3
79.05497	0.2
81.07043	0.2
84.08131	0.2
85.02895	0.8
86.02477	0.2
86.09716	0.3
91.05477	8.6
95.01339	0.3
95.05037	0.2
95.08625	0.2
105.07057	0.2
107.04948	0.3
107.08562	0.2
115.05396	0.2
117.03374	0.2
119.04936	21.3
131.04938	0.3
133.06468	0.3
136.86243	0.2
137.05951	0.3
141.01802	0.5
141.06860	0.2
145.02913	0.8
147.04404	100.0
148.04762	1.5
149.05992	0.2
157.06465	0.2
161.06046	0.4
165.05524	0.2
169.06476	0.3
171.04457	0.3
175.07500	0.3
177.05496	1.3
185.05954	0.3
189.05490	0.3
191.08652	0.2
202.07840	0.3
203.08536	1.4
213.05467	0.2
219.08092	0.4
220.08817	0.3
230.05650	1.0
231.08130	1.5
232.08977	0.2
237.09174	0.2
239.57010	0.2
241.08557	0.3
243.06516	0.3
247.07492	0.3
248.08331	1.7
249.08803	0.3
259.07565	0.5
262.09909	0.2
263.10626	1.3
265.08600	0.5
269.04593	0.3
276.07959	0.9
277.08679	0.3
280.10553	0.2
287.05478	0.2
291.10172	3.0
292.10864	0.3
293.08060	0.5
305.11380	0.3
307.09720	0.3
308.10477	0.4
323.07639	1.9
323.12784	3.8
323.16235	0.3
323.19202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76300	0.2
55.01857	0.3
55.05495	0.5
57.03433	0.2
65.03924	1.0
67.05487	0.8
69.03412	0.3
69.07056	0.8
70.61430	0.7
79.05478	0.9
81.07048	1.3
83.04962	0.2
83.08623	0.3
85.02893	0.7
85.06523	0.3
90.14672	0.2
91.05475	9.2
93.07039	1.0
95.01311	0.4
95.04977	0.6
95.08606	1.1
97.06495	0.3
105.07022	0.8
107.04943	0.8
107.08571	0.7
109.06489	0.3
109.10149	0.8
119.04934	23.3
119.08559	0.7
120.05231	0.3
121.06508	0.2
121.10137	0.5
121.55038	0.2
123.11732	0.3
129.06984	0.3
131.08524	0.4
133.10103	0.5
134.09784	0.2
135.07964	0.2
135.11702	0.4
137.05956	0.8
141.01830	0.4
145.06538	0.2
145.10139	0.4
147.04398	100.0
148.04749	1.1
149.05899	0.2
149.09624	0.4
161.06013	1.2
163.11131	0.4
175.07452	0.3
177.05452	0.7
199.07491	0.6
202.07852	0.6
203.08572	0.7
230.05638	1.2
231.08121	1.1
248.08214	0.5
259.07504	0.6
260.08264	0.5
263.10657	0.7
269.04413	0.5
291.10110	1.9
323.07458	1.6
323.12668	1.5
323.18463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40514	10.1
66.05306	10.9
70.60509	10.0
71.56272	12.5
71.56654	12.0
76.05114	28.7
97.77026	11.4
130.31772	10.4
147.12364	13.1
177.09785	15.3
205.65863	11.2
210.99832	13.1
247.10829	13.5
249.66069	11.6
323.07309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03933	0.8
55.05507	5.3
57.07073	1.9
60.04525	1.6
62.06085	100.0
65.03926	0.8
67.05500	16.7
69.07072	3.7
69.90796	3.6
70.02943	0.9
79.05492	13.7
81.07052	21.3
83.04955	0.7
83.08621	1.9
88.66039	0.7
91.05480	5.6
93.07038	14.8
94.07411	0.6
95.04949	1.4
95.08598	14.9
95.09164	1.0
97.06533	1.2
97.10197	1.5
98.06071	0.8
100.02180	0.9
105.07010	4.2
107.08588	8.7
109.06525	1.9
109.10146	4.6
113.09623	0.7
117.07008	1.8
119.08549	3.1
121.10130	6.4
123.07986	0.7
123.11694	2.6
131.08542	4.3
133.10085	3.6
135.11697	4.6
137.13171	0.9
145.10161	2.3
147.11714	1.3
149.09592	0.8
149.13329	2.0
158.11717	0.7
159.11708	2.5
161.13248	1.1
163.14833	1.9
172.13446	0.7
173.13283	1.1
175.14880	1.3
175.89053	0.7
177.16388	3.8
186.15062	0.9
187.14864	1.5
228.19765	0.9
233.22801	1.1
240.19507	0.8
243.21042	5.6
261.22070	5.2
301.24313	0.7
304.26492	2.8
305.24985	0.9
322.27460	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	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03950	0.8
55.05507	5.3
57.07067	1.0
60.04501	1.3
62.06086	100.0
64.99415	0.6
67.05504	17.1
69.07075	4.3
70.55271	0.6
74.64263	0.7
77.56943	0.7
79.05490	11.4
81.07053	18.4
83.08630	1.9
88.03998	0.8
91.05482	4.9
93.07036	13.4
93.07555	1.1
95.08607	13.6
97.10184	1.6
105.07013	4.0
107.08584	7.2
109.10160	6.9
111.08018	0.9
117.07029	1.5
119.08562	3.9
121.10146	5.4
123.11691	3.6
125.09683	1.5
131.08592	2.7
133.10167	2.0
135.08078	1.1
135.11708	4.0
137.13268	1.1
145.10182	1.5
147.11707	1.5
149.09564	0.8
149.13295	2.7
150.98366	0.9
159.11694	1.5
161.13237	0.8
163.14833	2.4
173.13303	0.8
177.16496	1.3
187.14876	0.8
200.16451	0.8
214.18169	1.1
227.79079	0.7
243.21198	2.5
261.22177	3.3
291.19653	4.7
302.36154	0.8
304.03955	0.9
304.26508	2.7
305.21265	1.2
305.24817	2.1
322.27371	10.9
322.30960	0.7
325.08420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.4
57.03429	3.1
57.07062	3.4
62.03182	2.2
62.06090	100.0
67.05503	21.4
69.07065	4.5
71.57581	4.0
79.05499	16.4
81.07058	22.3
83.08614	3.5
83.11213	2.3
83.76788	2.0
91.05478	7.1
93.07039	16.7
95.08616	15.5
98.09189	2.1
105.07035	5.7
107.02163	2.4
107.08597	11.4
109.10148	5.1
117.07021	4.2
119.08613	4.4
121.10137	9.4
123.08057	3.1
125.43699	2.4
131.08549	6.8
133.10146	6.3
135.11694	3.9
149.13335	3.1
159.11674	3.4
163.14966	2.4
177.16371	3.1
198.77705	2.4
243.21078	3.7
247.08545	2.4
252.95143	2.8
258.95898	2.9
261.22183	4.4
304.26431	3.7
322.27637	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01865	8.4
55.05499	13.6
57.03427	16.8
57.34523	3.7
62.81153	3.4
67.05492	9.5
69.03423	14.9
69.07083	8.4
71.06298	3.8
71.56365	4.2
75.95478	3.3
77.96999	3.9
79.05490	43.0
81.03413	4.4
81.07055	61.1
85.02887	10.1
91.05479	21.3
93.07014	13.5
95.01321	21.2
95.04953	14.8
95.08597	6.2
97.06530	31.0
98.21502	10.7
103.05476	4.5
105.07021	8.7
105.32174	4.2
107.04971	8.0
107.08588	10.9
109.06517	39.8
113.02375	7.7
117.07012	7.2
119.04926	11.3
119.08576	10.6
121.06494	8.4
123.22359	4.2
125.05960	8.2
129.06964	4.8
131.08575	7.2
133.10072	4.2
137.05966	15.4
139.03888	13.7
139.07570	4.7
141.01837	6.7
145.06468	5.0
147.04434	6.9
147.08029	17.7
149.05952	13.5
151.07483	3.9
155.07066	5.5
161.06001	13.7
163.07520	14.9
165.09111	30.7
167.07072	7.9
173.06076	4.6
175.07512	8.7
181.04910	4.3
181.08612	10.6
183.10262	10.7
183.48596	3.9
191.06982	12.2
193.08585	30.1
197.04427	5.9
199.09641	19.8
203.08687	5.3
209.08006	10.9
211.09616	14.1
215.10837	5.9
227.09229	6.0
229.20918	5.2
233.11745	18.4
236.03722	4.3
237.07497	6.4
248.08246	5.7
255.08623	100.0
256.09082	4.8
273.09521	5.9
286.33472	3.9
291.09970	7.7
304.15515	8.1
323.12573	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	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.3
55.05483	9.9
55.10100	3.3
57.03421	8.0
57.50896	3.0
58.02937	3.2
67.05493	13.7
69.03416	15.8
69.07057	13.9
70.06593	5.0
70.80202	13.2
73.02898	3.4
79.05485	36.4
81.07051	42.2
83.04971	7.2
84.04499	4.3
85.02888	13.2
86.09715	3.6
91.05474	23.8
93.07020	19.7
95.01327	16.2
95.01878	3.3
95.04961	12.8
95.08621	6.6
97.06521	33.5
99.04509	3.8
103.05444	4.9
103.76469	3.2
105.07008	12.4
107.04936	14.6
107.08598	6.0
109.06511	20.2
109.10151	6.1
113.02347	5.4
115.88914	3.1
117.06999	8.6
119.04916	10.5
119.08593	12.3
121.02881	4.7
121.06522	7.1
121.10098	3.4
123.08082	3.9
129.07010	4.2
131.04889	5.9
131.08517	5.6
133.06441	7.4
135.08070	6.5
137.05910	17.3
137.09631	4.8
139.03880	11.8
145.06473	7.6
147.04361	9.0
147.08028	12.2
149.05956	8.4
151.03893	3.6
161.05983	6.7
163.03955	4.0
163.07506	19.9
165.09113	27.3
167.07002	7.9
173.05933	6.7
177.05463	6.4
178.98573	4.1
181.08588	14.2
183.10170	11.9
187.92239	3.9
191.07036	8.6
193.08629	29.5
197.04462	13.1
203.08556	4.5
209.08098	8.7
211.09673	28.9
225.07428	4.1
227.09158	8.6
232.13322	19.9
233.11748	12.6
237.07532	8.3
250.14481	5.6
255.08647	100.0
259.07492	4.3
273.09784	10.1
291.10110	5.5
304.15479	7.5
322.16656	7.7
322.20084	5.7
323.12793	6.0
332.97031	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	321.2423
Annotation	20-HETE
Peak:m/z	Relative Intensity
51.66665	1.3
55.05514	9.0
57.03438	1.5
57.07066	4.6
67.05493	8.7
69.07069	6.2
71.04975	2.0
71.08604	2.0
71.58103	2.0
79.05489	6.1
81.07063	9.7
83.08614	3.0
85.06548	1.7
91.05478	3.9
93.07040	8.8
95.04966	1.8
95.08591	11.0
97.06544	2.5
97.10168	2.8
99.08040	1.8
105.07005	5.0
107.08585	4.9
109.06519	18.8
109.10143	4.0
113.00009	3.8
119.08577	5.6
121.06490	1.5
121.10120	4.0
122.07275	3.2
123.08060	58.5
123.11665	1.3
133.10164	2.0
135.08055	5.6
135.11728	1.4
136.08751	1.3
137.09599	3.4
139.11102	1.4
145.10123	1.5
149.09625	1.8
149.13269	1.6
161.13263	1.9
169.02644	2.3
179.14311	64.3
193.15840	1.6
261.22211	1.6
265.17932	15.1
303.23141	5.6
321.24222	100.0
322.24573	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	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
55.05519	4.9
56.96562	1.1
57.03436	1.8
57.07072	3.9
59.04993	1.9
67.05504	10.1
69.03418	2.9
69.07068	5.1
71.57942	1.0
79.05489	7.1
81.03403	1.8
81.07053	11.3
83.04964	2.6
83.08613	1.4
85.06538	2.6
86.09713	1.0
91.05468	4.9
93.07047	7.7
95.04967	4.0
95.08607	19.2
96.08144	1.6
97.06518	5.2
104.71828	0.9
105.07027	10.7
107.04965	2.2
107.08595	8.3
108.05749	1.2
109.06509	3.6
109.10155	4.0
115.05455	1.1
117.07026	1.7
119.08556	6.7
121.06506	2.7
121.10120	4.9
122.07296	2.1
123.08065	43.5
123.11700	2.6
124.08418	1.4
128.06229	1.0
129.07024	1.9
131.08578	5.4
133.06473	4.7
133.10123	4.1
135.08076	1.9
135.11717	2.9
137.05952	4.9
137.09569	2.2
141.09074	3.0
142.07860	1.0
143.08534	2.3
145.06525	1.1
145.10139	5.5
147.08063	3.2
147.11671	4.0
149.09627	4.3
151.07536	100.0
152.07837	1.4
156.09337	1.5
157.10094	1.6
159.08086	2.4
159.11710	2.8
161.09616	2.8
161.13283	1.8
163.11140	1.8
165.09052	1.7
171.11699	1.7
173.09583	2.1
173.13211	2.2
174.10464	2.0
175.11200	2.6
177.05464	1.9
177.09077	2.4
179.10567	2.0
183.11699	2.1
185.13281	1.0
189.12723	23.9
192.11444	4.5
197.11703	2.7
197.13286	1.2
207.13795	61.0
208.14120	2.3
211.14864	1.2
213.16429	1.0
229.12224	1.3
233.15317	1.2
243.17201	1.1
247.13300	1.4
247.16917	1.2
251.52728	0.9
261.09009	1.3
261.16022	1.3
285.18518	2.4
303.19501	3.3
303.22897	1.6
304.16541	6.2
321.11084	1.6
321.16959	1.6
321.20612	24.4
322.20953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37302	1.0
55.01878	1.4
55.05502	1.7
55.33838	1.1
60.93343	1.0
67.05523	2.7
68.99790	2.0
69.03429	1.4
71.26207	2.7
75.51796	1.1
79.05479	4.7
81.03415	4.2
81.07047	4.5
83.04997	1.3
84.24241	1.1
85.02921	1.9
86.09700	86.6
87.10048	1.9
91.05476	3.2
93.07021	5.3
95.04967	4.0
95.08611	4.2
97.02866	1.8
97.06535	1.5
99.04436	2.8
103.05457	7.9
105.07005	6.6
107.04941	4.0
107.08564	3.1
109.02888	1.5
111.04435	2.2
117.03339	1.4
117.79128	1.2
118.04121	5.7
120.08096	100.0
121.06516	3.2
121.08444	1.6
121.10152	2.2
123.04418	36.5
125.06035	1.5
127.03919	3.6
128.10701	41.4
131.04900	2.8
133.06485	40.0
133.10138	1.6
134.03633	1.4
134.06837	1.8
137.06009	1.7
139.07487	1.7
145.02847	2.7
146.21043	1.0
147.04457	1.6
149.05963	9.3
151.07524	1.6
152.04639	1.8
156.10165	8.9
161.05977	17.0
162.06686	1.2
166.08630	45.7
167.07024	62.0
168.07373	2.1
177.05481	3.3
179.07059	3.1
191.06992	2.8
193.08600	15.5
219.10037	1.5
241.54453	1.3
243.03329	1.3
275.12518	1.1
299.91287	1.1
303.12299	1.9
303.22955	1.0
321.09824	2.5
321.13370	3.3
321.16803	1.3
321.21500	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	321.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21764	0.5
67.05502	0.9
68.29644	0.5
71.16307	0.6
71.16660	0.9
79.05482	0.7
81.03403	0.6
81.07057	0.5
91.05486	2.7
95.08601	0.7
97.02898	0.6
103.05463	0.8
105.07035	1.2
107.08578	1.0
114.80341	0.5
115.05435	2.8
117.05751	1.5
117.07014	4.5
118.06537	61.7
119.07343	3.8
119.08580	0.7
121.10058	0.6
130.06561	0.6
132.08075	1.2
134.09645	97.4
135.09975	1.3
142.06503	5.2
143.07285	6.5
144.04443	0.8
144.08080	26.1
145.06444	1.3
146.06001	100.0
147.06337	1.4
155.06041	0.8
160.07582	1.7
170.06012	8.5
174.09189	1.4
177.05479	0.9
188.07057	94.6
189.07399	2.5
192.10213	2.2
246.06772	0.6
261.09097	0.8
281.61496	0.6
321.11743	0.8
321.15924	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	321.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.8
55.05495	2.1
66.20989	1.9
67.05502	24.7
69.03437	2.8
69.07070	2.7
71.04977	2.9
71.56874	2.7
72.08118	2.4
79.05492	4.0
81.07043	5.5
91.05488	6.0
93.07032	5.4
94.06554	20.5
95.04955	2.6
95.08609	3.3
95.45078	1.7
96.69013	1.7
97.06537	1.9
105.07022	5.7
107.08581	4.7
109.06566	2.5
109.10165	2.4
119.08561	4.0
120.08100	1.7
121.10093	2.9
122.06023	76.0
130.06528	3.9
130.08669	2.3
131.08614	2.8
136.07579	74.7
136.11093	2.2
137.05981	4.0
145.02853	4.0
145.05214	2.0
146.06023	6.8
164.07057	100.0
177.05479	6.0
182.08118	62.8
182.09756	2.6
188.07086	4.9
216.10185	2.7
218.07346	2.8
246.06795	2.1
258.11234	4.2
259.14359	3.6
261.09079	4.7
263.07056	2.4
286.10748	4.1
289.08606	2.9
292.06335	2.2
303.13104	2.5
304.11755	5.0
321.11041	8.2
321.14700	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	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21206	3.5
56.05029	5.7
56.96560	27.4
57.03428	3.8
61.02921	4.7
69.03438	3.9
70.06595	6.1
70.87834	10.5
76.05125	6.9
84.04491	4.7
84.08149	6.9
85.02917	5.1
86.09690	4.5
98.97589	29.5
101.00887	17.3
103.02459	4.6
115.02415	5.5
116.98614	13.9
119.01914	93.4
119.02709	7.5
128.00218	10.4
128.98639	6.2
129.03879	4.0
131.01909	36.8
131.47913	3.5
133.03429	34.8
134.01273	4.7
134.99683	7.6
135.04999	6.4
137.02937	24.2
143.00160	4.2
143.01956	7.3
145.02745	9.2
146.01262	16.8
146.99690	8.7
149.02985	11.4
151.04549	9.5
155.01895	9.3
158.99689	9.4
159.05103	4.7
160.07227	6.3
161.01314	9.8
161.02966	22.9
162.99141	5.3
163.03879	12.3
164.02277	5.0
165.00629	5.6
168.99786	6.0
171.05005	4.9
173.02972	43.9
175.04483	11.8
177.00739	16.2
177.09868	10.8
182.66603	3.7
185.03021	5.3
187.00909	15.7
189.02188	14.7
191.04045	16.4
193.00229	4.9
201.00771	8.5
201.02472	34.7
203.03989	8.0
205.01920	5.1
207.03128	18.7
211.02321	5.9
213.02458	10.5
215.00372	20.3
219.01700	7.9
219.03514	100.0
221.05037	9.5
223.01285	8.9
223.51010	4.0
229.01930	7.0
231.03375	12.0
233.01523	5.0
233.05159	7.6
235.06679	4.7
237.04718	6.9
240.52931	4.1
247.03036	30.9
249.04346	9.0
261.04373	6.9
261.08240	11.4
265.04010	12.4
279.09271	10.9
316.65088	5.0
321.06314	13.5
321.11349	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2014
Annotation	Huperzine G
Peak:m/z	Relative Intensity
55.05501	2.8
57.07060	0.9
61.62802	0.9
62.10486	0.8
67.05479	2.1
69.07062	2.0
70.06557	0.9
71.57155	0.9
71.57581	2.0
72.04518	20.3
76.36889	0.7
79.05482	2.5
81.07037	3.4
82.14294	0.8
83.04958	1.2
83.08610	0.9
85.02924	0.8
88.03963	1.2
91.05487	2.0
93.07037	2.3
95.04954	1.4
95.08591	2.8
97.06504	1.4
99.00822	0.8
100.11240	1.9
105.07029	2.8
107.04919	1.0
107.08582	2.3
109.02824	1.2
109.06499	1.1
109.10162	2.1
116.03484	0.8
117.07032	1.2
117.79531	0.8
118.06542	11.7
119.08573	1.7
121.10145	1.2
123.04425	1.0
123.08047	1.0
131.08607	0.9
132.08076	9.5
133.06480	1.0
133.08896	3.2
133.10071	2.1
137.09618	1.1
144.08069	6.8
145.10127	1.6
146.09615	6.9
147.10414	0.9
147.11668	1.1
158.09618	3.1
159.08116	0.9
159.10324	1.1
160.11215	1.7
161.05986	2.1
167.07018	1.0
172.11182	2.3
173.11899	0.8
187.08719	1.0
189.10266	1.6
199.14757	0.9
203.11807	3.4
204.17470	81.8
205.17844	2.7
213.16316	0.9
215.11627	1.7
217.13443	1.2
230.19028	36.0
231.19440	1.7
257.20093	5.8
263.18219	0.9
273.19656	11.1
274.17999	1.3
275.18149	1.6
275.21185	34.7
276.21408	1.8
301.11682	1.1
301.19049	6.3
301.21957	1.0
302.17471	34.7
303.17825	0.9
319.20139	100.0
320.20480	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	319.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05499	4.3
56.05015	2.2
56.96543	1.7
57.03435	5.1
58.99571	1.4
60.04501	2.7
67.05480	3.2
68.05022	2.0
68.29684	1.0
68.99776	2.9
69.03417	2.3
69.07043	2.9
70.06562	3.2
71.55977	1.2
71.56410	1.6
72.04520	1.4
72.08151	8.1
73.08480	1.6
76.02203	2.9
79.05473	3.6
81.03411	1.9
81.07048	10.7
82.06583	1.6
84.04482	1.7
84.08107	2.5
85.02895	1.7
86.09697	12.1
86.99026	1.9
91.05458	1.6
93.07030	1.4
95.08651	1.0
96.08097	2.6
96.13239	0.9
97.02863	1.8
97.06525	1.6
98.09650	1.8
98.97577	1.2
99.08081	2.4
101.01724	5.7
102.85459	1.3
105.03380	1.3
105.06966	1.8
109.02866	1.8
110.07117	1.3
111.00800	3.8
111.04426	1.6
112.05052	1.8
114.05534	1.3
116.01658	2.7
116.98596	1.7
118.04357	1.4
118.06542	2.5
119.08562	1.2
120.08071	2.1
121.02917	1.5
124.07623	1.1
126.09155	1.3
127.03903	1.9
128.07047	1.9
128.10712	1.1
130.05019	1.6
130.06512	37.3
130.08620	1.8
132.04463	1.1
132.08092	1.5
132.10233	1.6
136.07579	1.2
137.02327	2.7
137.06023	1.3
138.09108	1.6
142.63390	1.3
143.06024	1.3
143.11806	2.2
144.08064	2.8
146.03821	12.6
146.06001	4.5
151.03928	1.7
153.01820	16.5
156.06790	9.9
156.08136	2.0
157.07607	60.4
158.06029	6.0
158.08054	1.5
159.11253	4.6
160.06073	2.2
160.07565	3.7
160.11696	5.5
161.06009	1.2
162.02162	3.6
165.01813	3.0
166.04980	4.0
168.08102	1.8
169.07578	5.6
170.05852	1.3
171.09152	1.1
174.07661	1.5
174.09187	1.5
179.03397	3.2
182.08412	2.5
183.02917	2.5
183.09239	1.3
185.07149	5.9
185.10701	4.7
188.07066	2.4
195.02818	1.3
197.10765	1.4
202.07307	2.3
203.08141	57.3
204.08388	1.4
211.12285	3.7
213.13846	1.4
216.12303	4.0
217.04958	4.6
226.10112	1.1
227.11853	2.9
228.10355	1.4
229.04930	1.3
229.13322	2.7
239.11861	1.9
241.09581	1.3
244.11182	4.4
245.04477	5.8
255.11256	2.4
257.12842	24.8
259.11096	1.9
263.05634	1.2
270.09927	2.8
272.11505	3.4
273.03857	6.1
273.12219	5.2
275.13828	2.8
283.10742	3.7
283.14090	1.5
290.04233	1.8
301.11884	17.2
301.15372	100.0
302.15759	3.1
319.04456	57.9
319.13205	5.7
319.17157	7.2
320.04767	4.7
338.38022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.1
55.29231	0.7
57.03423	1.1
65.03944	5.1
67.05489	1.6
69.03418	1.2
69.07051	2.2
69.43098	7.3
70.06579	0.7
79.05473	2.1
79.99185	0.7
80.04994	2.3
81.03415	1.0
81.07052	1.2
81.74822	0.7
85.02888	1.2
87.77821	0.7
91.05468	1.5
92.04985	7.3
93.07015	2.1
94.06564	1.0
95.04919	1.1
95.08604	1.1
96.08094	2.0
97.02882	0.8
97.06557	0.9
105.07014	2.1
106.06528	0.7
107.08558	1.1
108.04453	2.3
108.08099	0.9
109.02869	1.0
110.06029	2.0
110.09683	1.7
115.05451	1.5
117.07011	1.1
119.08548	0.9
119.74572	0.7
120.04470	2.8
120.08131	0.8
120.99043	0.7
121.51871	0.7
124.07586	4.8
125.08369	1.1
126.09152	1.3
127.03915	1.6
128.33556	0.7
129.06998	1.7
131.08598	1.2
132.06729	0.8
132.08099	0.8
136.03006	1.2
136.03937	9.4
138.05502	1.0
138.09135	26.6
143.08493	0.8
144.08084	1.4
145.10034	0.8
150.05463	0.9
150.09119	1.0
153.01805	2.7
154.04980	4.4
154.06403	1.1
155.08568	2.1
158.09612	1.4
159.11639	1.2
160.07585	0.9
164.03413	7.4
167.07275	2.0
168.08058	2.1
169.08815	1.7
170.09720	1.0
171.09148	1.8
172.10004	0.9
174.12784	2.0
176.03421	2.4
177.05371	1.1
178.04997	1.6
182.04498	23.1
182.05975	1.4
182.09686	1.9
184.11211	2.5
188.10735	1.0
195.06807	1.0
196.07701	1.0
196.09917	1.8
197.08450	1.1
198.07874	2.4
199.08577	2.0
199.12436	0.9
200.09238	1.6
201.10127	0.9
201.13838	12.0
202.08614	1.1
202.14104	0.9
210.09151	2.8
211.08632	2.4
211.12216	1.3
212.09146	1.4
212.10741	3.3
213.10135	1.1
214.12257	2.2
226.07390	1.1
226.11015	0.9
227.08116	1.8
227.11729	5.0
228.08788	4.0
229.13342	51.0
230.11641	1.2
230.13663	1.8
237.10406	0.8
238.08595	2.3
239.08188	1.1
239.11682	1.3
240.08755	1.3
240.10437	1.1
241.09636	1.1
242.10619	0.9
243.18105	0.7
245.09297	1.0
253.05768	0.8
254.06937	1.2
255.07700	0.9
255.08435	1.1
255.11205	10.3
257.12833	41.8
258.11212	2.0
258.13492	1.1
259.11044	0.9
272.07886	2.5
273.12305	12.5
283.10760	13.0
284.09106	17.9
290.09009	1.3
291.13400	2.6
301.11798	42.7
302.12006	1.1
304.04797	1.0
319.07614	4.0
319.12863	100.0
320.13257	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.05524	2.1
57.03457	1.0
59.66740	0.6
65.03934	5.7
66.58743	0.6
67.05531	1.3
69.03451	0.9
69.69416	4.7
70.06617	1.2
70.88763	0.5
72.08189	0.7
79.05519	2.9
81.05797	1.0
81.07082	2.5
82.06585	1.3
83.04969	0.7
83.08639	1.1
84.08147	1.0
86.09740	2.0
91.05511	2.3
92.05012	3.3
93.07059	0.9
94.06597	1.4
95.05009	0.9
96.08128	3.1
97.10197	1.1
100.07655	1.2
105.07053	0.9
107.08607	1.5
109.06559	2.0
110.06067	1.3
110.09721	1.8
111.04444	1.6
120.04507	0.9
120.08099	1.4
121.02912	1.5
122.06076	2.6
124.07571	8.5
124.93074	0.6
125.09643	1.7
126.09157	16.4
130.05083	1.6
130.06558	0.7
133.02867	2.0
136.07561	0.9
137.05969	8.1
138.05513	5.6
138.06386	0.8
138.09138	14.6
139.03918	1.1
146.05974	0.8
148.03941	1.6
149.02313	4.0
149.09685	0.8
152.07132	0.9
153.01836	9.6
157.07672	2.7
157.08867	0.9
161.02361	1.7
166.04994	29.3
166.08673	1.7
167.03432	1.5
168.06837	1.1
169.07645	1.5
170.06000	0.7
170.08408	0.9
171.09238	2.8
174.09157	2.5
176.03464	2.5
178.05054	1.2
182.09789	1.0
183.09233	2.1
184.09988	3.4
188.07185	0.8
189.07544	0.6
189.11270	1.4
193.04941	1.0
193.07666	0.9
194.04488	15.5
194.08350	1.0
195.02899	3.4
196.06094	0.6
197.07117	1.7
197.10767	0.9
198.07834	3.1
199.08656	3.1
199.12296	3.0
200.10718	1.2
209.10757	1.9
210.11491	1.0
211.08597	4.2
212.09401	7.2
213.05530	1.9
213.10252	4.2
225.10216	7.3
226.10992	12.5
227.11800	15.9
228.10185	5.8
228.12175	0.9
229.09785	1.2
229.13417	1.8
239.08192	1.2
240.08987	1.5
241.04903	1.0
241.09660	0.7
242.10587	0.8
243.07605	11.0
243.11331	0.9
245.07916	3.4
245.12943	2.0
254.10510	0.9
255.11266	12.4
256.11545	0.8
257.09195	4.0
257.12952	1.2
258.09860	0.6
270.09982	18.8
271.10736	15.8
272.11536	41.9
273.07941	4.6
273.12317	45.0
274.12808	1.2
283.10748	14.2
291.13528	0.7
301.11826	100.0
302.12277	2.4
304.04727	1.9
319.04260	1.7
319.07468	5.4
319.12863	20.2
319.16299	0.8
320.13165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16343	2.6
55.01865	5.3
56.05040	3.1
56.96564	100.0
57.03442	13.8
60.47762	2.3
61.02694	2.1
61.02926	24.5
68.51809	2.5
69.03430	12.7
70.06578	9.1
70.98104	4.3
71.04988	2.5
71.33796	4.6
72.08134	5.9
73.02908	11.7
74.97590	7.8
81.03401	9.7
84.04534	4.8
84.08134	10.0
84.96027	13.9
85.02905	23.4
86.09693	8.2
87.04451	3.8
87.10044	4.3
88.50496	2.8
88.99126	3.3
91.05459	3.5
97.02904	15.9
97.78875	2.7
97.99180	5.1
98.97574	36.8
99.04448	3.1
100.07657	3.5
100.99147	5.6
101.00848	4.1
104.10719	3.3
109.02885	9.8
110.01289	4.3
110.06018	2.6
110.07154	26.7
110.97559	8.9
116.00230	4.4
116.98607	30.8
119.00182	7.4
119.01846	18.3
127.03902	10.9
128.00240	13.6
128.02336	16.6
128.98589	20.3
129.10216	8.4
131.00159	9.6
133.03484	4.4
134.01285	5.6
134.99637	16.2
135.00647	3.6
137.02885	11.6
138.05516	4.3
139.03963	3.0
139.05852	3.0
139.53062	3.5
142.01764	2.6
142.96541	6.0
143.00142	7.3
143.01256	8.0
144.98073	2.9
145.02776	23.7
146.01251	41.8
146.99635	25.6
147.03175	3.8
147.04408	5.8
149.01234	21.6
149.02956	3.3
150.01776	3.9
152.02325	3.1
153.01807	3.3
156.03635	19.8
156.07726	4.1
156.53775	13.6
157.01523	3.3
158.99654	7.7
159.09125	4.7
160.02870	4.9
160.97577	5.2
161.01204	10.2
161.02319	4.2
161.02884	8.1
162.99115	8.2
163.02713	4.5
163.03874	20.3
164.02327	13.6
165.00687	22.4
167.02223	8.8
170.99718	4.8
172.97632	3.3
174.99144	7.7
175.01164	2.8
175.02753	9.8
177.00780	13.4
179.02255	3.5
181.00366	2.8
183.02011	8.7
186.99196	3.2
188.97157	3.8
189.00471	5.8
189.01987	19.7
190.98645	13.9
191.02312	6.1
191.04013	4.2
192.02826	9.2
193.00241	15.9
193.03847	5.1
195.01788	2.9
200.04005	2.8
201.00719	10.4
202.98697	3.5
203.03545	5.1
204.02760	5.9
205.00240	6.2
206.98154	4.6
207.02995	44.5
208.99734	17.5
213.03366	23.0
217.01950	3.8
217.03658	6.6
218.06033	2.7
219.01796	12.1
221.04620	3.3
222.03860	10.5
223.01366	4.7
227.00610	3.5
228.05611	5.2
228.55823	7.4
229.04272	3.3
231.03023	3.5
233.03374	2.8
233.54842	3.5
235.01147	3.8
237.02769	11.9
237.06226	3.4
237.56288	8.0
251.04341	4.2
255.03760	3.7
260.99081	4.4
265.62442	2.8
269.05365	15.1
287.06509	4.9
293.05328	3.4
302.11285	3.0
311.06723	3.6
319.04263	15.6
319.06482	3.1
319.07590	5.1
319.13229	5.2
337.08240	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01863	0.6
55.05505	0.3
57.03425	0.5
58.97503	0.2
58.99563	0.7
61.10964	0.3
65.03926	1.0
67.01844	0.7
68.99783	4.9
69.03413	0.9
69.85526	1.4
70.06590	0.5
72.08137	0.8
76.02213	1.1
79.01828	0.5
79.05489	0.5
81.03397	1.0
81.07063	1.6
84.08147	0.3
85.02872	0.3
86.09672	0.3
91.05459	0.6
93.03374	0.5
93.07036	0.4
95.01281	0.3
95.04949	0.4
97.02831	0.6
101.01709	1.4
103.05440	0.5
105.07006	0.3
107.04948	0.5
109.02873	2.8
111.00042	0.5
111.00793	5.7
111.04404	1.4
112.05083	0.6
115.05456	0.8
116.01672	1.0
116.99976	0.2
117.06969	0.4
118.04346	0.6
121.02874	0.8
121.06493	0.8
123.04393	0.4
125.02361	1.0
126.03109	0.5
127.03905	1.0
130.06731	0.3
133.02829	0.8
133.06491	0.5
137.02341	4.1
137.05966	1.4
139.03885	1.0
146.03815	2.4
147.04367	0.8
149.02357	1.1
149.05974	1.1
151.03902	0.8
153.01814	26.5
153.05415	0.7
154.02211	0.4
156.08441	0.6
161.02330	0.6
161.05994	1.2
162.02167	0.8
163.03906	0.4
165.01817	6.8
166.02580	1.2
166.04927	0.4
167.03432	0.3
171.02998	0.3
171.04349	1.3
175.03879	0.4
177.05438	1.8
179.03380	3.3
183.02859	2.7
189.05450	2.5
191.03439	0.4
191.14886	0.2
193.01303	0.4
193.04961	0.5
195.02859	1.8
199.03780	1.2
203.03421	1.6
204.04297	0.4
207.02876	0.9
217.04935	9.6
219.02867	0.7
221.04445	1.0
223.02226	0.3
226.10204	0.3
227.03378	1.0
227.11725	0.4
229.05084	0.6
229.13408	0.3
231.02876	0.9
232.03499	0.4
233.04503	0.5
235.02374	0.4
235.06047	0.6
239.01889	0.4
244.03674	0.6
244.11046	1.0
245.04431	10.9
245.08134	0.4
255.02835	1.2
255.11143	0.6
259.10916	0.6
263.05527	0.8
272.03091	0.4
272.11615	0.6
273.03946	9.3
273.07367	0.8
273.12231	1.0
274.04236	0.3
283.10706	0.5
290.04208	2.4
291.04904	0.7
301.03400	2.1
301.06534	0.5
301.11865	1.9
301.14926	0.4
319.04449	100.0
319.14246	2.2
320.04807	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01862	0.6
55.05481	0.3
56.05010	0.3
56.96545	1.2
57.03432	0.3
58.99569	0.5
60.04518	0.7
61.02916	0.3
63.09221	0.3
65.03917	0.8
65.04248	0.3
67.01865	0.6
67.05492	0.6
68.99445	0.4
68.99787	4.7
69.03413	0.6
69.07034	0.5
70.06585	0.5
72.08164	1.7
73.02921	0.3
73.06521	0.3
73.08485	0.3
76.02212	1.0
79.01836	0.5
79.05460	0.5
81.03397	1.0
81.07031	1.0
81.76365	0.3
84.04487	0.6
84.08145	0.5
85.02888	0.7
86.09687	1.7
91.05450	0.7
93.03409	0.4
93.07002	0.4
95.01373	0.3
97.02874	0.6
97.06551	0.3
98.97559	0.8
101.01689	0.8
103.05422	0.5
105.07005	0.7
107.04926	0.5
109.02875	3.4
111.00792	5.2
111.04404	0.9
112.05054	0.4
114.09121	0.5
114.92587	0.3
116.01631	0.9
116.98603	0.8
119.04932	0.4
121.02830	0.7
121.06508	0.8
122.06007	0.3
123.04459	0.6
125.02335	1.2
126.03111	0.4
126.09141	0.6
127.03900	0.7
130.06517	0.4
132.06506	0.5
132.10175	0.6
133.02885	0.7
133.06511	0.4
136.07500	0.3
137.02339	5.3
137.05971	0.5
139.03893	1.2
143.04985	0.3
146.03862	2.0
146.99619	0.8
147.04411	1.0
149.02367	0.5
153.01817	25.0
154.02199	0.4
156.08388	0.7
159.11270	1.2
160.06158	0.3
160.11620	0.8
161.02336	0.4
161.05919	1.4
162.02188	0.7
165.01855	6.3
166.02650	0.7
166.04956	0.7
167.07095	0.3
171.01274	0.4
171.04361	0.7
171.51434	0.6
174.07681	0.3
175.03844	0.6
177.05424	1.0
179.03406	2.8
183.02879	2.2
189.05458	2.3
191.03423	0.6
193.01279	0.6
194.02055	0.5
195.02904	1.8
198.51993	0.5
199.03886	1.0
202.10751	0.4
203.03294	1.6
204.04460	0.4
207.02708	1.6
207.52504	0.7
213.52448	0.8
216.12260	0.5
216.53101	0.3
217.04967	9.7
217.09926	0.4
219.02942	1.0
221.04416	1.1
222.52901	0.4
227.03349	1.1
227.11792	0.4
229.04933	0.8
231.02841	0.8
232.03683	0.6
235.02438	0.4
235.05887	0.7
239.01906	0.4
241.09683	0.3
244.03600	1.0
244.11186	0.8
245.04439	10.2
249.03888	0.5
255.02853	1.2
258.54242	1.0
259.11197	0.3
263.05487	1.3
267.54865	0.3
273.03931	8.5
273.12308	0.7
283.10742	0.3
290.04147	2.3
301.03375	2.2
301.11835	2.5
301.15201	0.7
319.04459	100.0
320.04782	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	318.206
Annotation	Protoemetine
Peak:m/z	Relative Intensity
53.03934	3.1
55.01871	7.7
55.05507	6.9
64.62563	1.2
65.03922	2.0
67.05501	20.7
68.05019	2.0
68.73789	1.2
69.03400	1.7
69.07054	3.9
70.06579	4.8
71.04961	1.6
71.57885	2.1
79.05486	26.8
80.05005	3.5
81.03417	1.8
81.07051	13.2
82.06586	3.2
83.08606	2.1
84.04480	1.8
88.07629	3.6
91.05474	15.4
93.07043	14.3
94.06564	10.7
95.04948	5.9
95.08590	5.1
96.08125	17.2
98.06050	1.7
105.07009	9.4
106.06554	3.6
107.04952	9.4
107.08586	7.2
109.05252	2.2
109.06512	2.2
109.10123	3.9
111.79741	1.4
112.07598	7.4
117.06991	2.3
118.06517	2.7
119.08567	5.6
120.08101	17.3
121.06477	2.3
121.10139	3.0
122.06014	7.1
129.06969	1.3
131.08553	3.8
133.10104	1.4
134.09659	2.0
135.11646	1.7
136.07564	37.6
143.08525	2.2
144.08006	1.6
146.09662	2.8
148.07545	19.8
148.11168	1.7
149.08339	6.4
150.09142	4.3
160.07613	2.2
160.11145	2.1
161.21027	1.7
162.09135	2.3
163.11174	8.7
170.09700	1.7
174.09084	3.4
174.12778	1.6
176.10828	2.3
188.10645	2.1
202.12250	1.4
272.20081	5.2
274.21924	1.8
282.18475	5.4
285.06265	1.3
288.19672	2.4
290.21124	4.0
292.28137	1.6
300.19556	65.1
300.85468	1.5
301.19974	2.1
318.20621	100.0
318.23920	4.8
318.30075	4.6
319.20874	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	318.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58372	0.9
55.01869	1.7
55.05513	6.3
56.05024	1.5
56.96562	7.3
57.03424	2.2
60.04522	27.6
67.05502	1.6
68.99793	2.0
69.03416	1.7
69.07061	2.2
69.55733	5.3
69.56145	1.9
70.02940	1.5
70.06583	4.0
71.04996	1.2
72.04510	1.2
72.08151	73.4
72.65185	0.9
73.81702	1.0
78.85157	1.1
79.05489	2.7
81.03419	1.4
81.07065	3.6
82.75674	0.9
84.04529	1.1
84.08146	2.1
85.02914	1.5
86.09703	35.3
87.05593	18.1
90.05539	1.4
91.05485	1.3
94.06564	1.2
95.04994	2.0
96.08126	2.5
97.02916	0.9
98.21543	1.0
98.97588	4.9
101.01706	1.4
107.04961	2.4
109.02895	2.3
111.00812	1.9
114.09157	18.3
116.01653	1.4
116.98628	4.2
118.08620	1.2
120.08097	2.6
121.02831	1.1
121.06483	1.8
123.04455	2.3
124.04739	1.1
127.03923	1.4
128.10713	1.6
129.10258	1.3
130.06538	4.5
132.10214	4.5
134.99698	2.4
137.02345	3.2
137.05986	3.9
138.05492	2.5
144.01208	1.0
146.03796	2.4
146.06006	1.1
146.99651	2.3
147.04427	1.7
151.03864	1.3
153.01811	11.0
156.00742	3.0
156.06796	2.1
157.01534	2.0
157.07611	5.0
159.11284	100.0
160.07568	1.1
160.11626	2.0
162.00797	1.8
162.02122	1.3
163.03856	1.1
165.01775	3.6
165.05493	2.3
166.05882	2.2
171.01263	2.7
173.12845	20.3
177.00935	1.4
177.05458	1.3
179.03458	1.6
186.01901	1.2
187.10782	23.9
187.14388	2.1
189.01370	2.3
191.03384	1.1
198.01872	3.8
201.12297	4.8
203.03419	1.6
203.08154	5.6
204.01665	1.4
207.02345	6.8
210.14932	3.6
211.13289	2.6
213.02322	3.9
216.02797	2.8
216.12375	1.5
217.05016	2.8
218.53134	1.1
219.03093	2.1
222.02840	3.6
227.80293	1.1
228.15985	2.9
231.16963	1.5
237.03818	2.0
245.04498	4.3
249.03947	2.9
257.12985	2.4
258.03915	7.2
273.04059	4.1
274.16415	2.2
301.11856	5.1
301.15515	8.9
318.03561	2.0
318.06900	5.5
318.11118	2.0
319.00772	2.3
319.04468	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	318.1909
Annotation	suberoylcarnitine
Peak:m/z	Relative Intensity
53.03918	1.9
54.18719	2.0
55.05512	19.9
57.03440	2.6
57.07064	5.9
63.90897	1.9
65.41341	2.2
67.05490	9.2
69.07064	36.8
69.51131	3.4
69.51534	16.4
71.04996	2.1
74.02441	22.1
79.05481	6.3
81.07041	20.7
83.08615	28.2
86.00660	5.4
87.02644	2.2
88.03986	37.0
91.05470	8.3
93.07037	25.9
94.07376	2.1
95.04984	2.1
95.08595	7.4
97.06493	3.0
97.10176	4.6
105.07030	4.2
107.08576	19.2
109.10162	6.6
111.08073	13.7
116.03452	15.6
119.08559	2.3
121.10151	8.9
125.13262	3.5
132.01114	10.2
134.04480	100.0
136.33548	2.2
138.05362	2.2
147.11482	1.9
149.13251	29.1
153.01793	4.7
159.04771	5.6
167.14297	13.1
172.11241	2.2
186.37827	2.1
202.08925	22.8
204.03596	2.3
205.73682	2.1
256.22702	2.3
274.04721	3.8
275.04993	27.6
276.05295	3.0
300.18073	31.9
303.04559	38.5
318.06897	85.6
318.20749	6.2
318.24142	2.4
319.07092	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44752	0.6
52.19173	0.4
53.03926	0.8
55.05489	1.3
55.44081	0.4
56.05010	0.5
57.03421	1.2
57.34890	0.4
60.04517	1.0
61.02908	1.6
67.05481	1.0
67.24611	0.5
69.03423	3.7
69.07070	2.5
69.07370	0.5
70.06566	1.2
70.18478	0.5
70.39610	1.2
71.04990	0.7
72.08131	1.6
73.02876	0.7
79.05477	1.4
80.05020	0.7
81.03400	1.3
81.07024	1.1
82.06559	1.3
83.08573	0.5
84.04442	0.5
84.08092	0.8
85.02901	7.1
86.09689	5.0
87.04436	0.5
87.31685	0.4
91.03933	0.7
91.05456	0.6
93.03419	0.8
93.07024	2.1
95.07352	0.5
95.08598	1.9
96.04498	3.6
96.08109	2.2
97.02906	3.0
97.05289	3.2
97.06512	1.5
97.74445	0.4
99.04462	0.6
100.07594	1.3
109.02850	1.0
109.06477	0.9
110.06030	7.4
110.09652	4.0
111.08051	1.2
120.08076	1.3
121.02872	0.6
121.06489	0.9
123.04385	0.7
123.05203	0.5
124.04828	0.5
125.08372	1.3
126.09142	11.1
127.03866	1.5
133.83923	0.5
138.05507	1.1
138.09122	24.6
139.07526	1.5
145.04904	1.2
152.10715	0.6
153.01826	4.0
154.02162	2.3
156.10184	100.0
157.10529	1.6
159.11266	0.8
165.05475	1.4
165.06882	0.6
166.05818	1.6
168.10199	1.2
173.12831	3.6
180.10161	0.7
183.08011	1.1
198.11270	0.7
199.08908	0.6
204.03780	0.6
210.14879	1.3
211.07541	0.7
222.11244	0.7
228.15939	1.4
229.04636	0.8
230.05258	1.9
237.05507	0.7
247.02313	0.5
247.05481	1.3
255.06538	2.1
258.04651	0.8
272.09015	0.8
273.04050	0.5
274.04358	1.0
274.16391	1.0
275.05063	1.2
286.04251	2.0
301.11847	1.8
303.04456	4.1
318.06873	20.8
318.10037	0.7
318.15604	0.8
319.03979	0.6
319.07193	1.4
332.04446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56425	0.5
50.69673	0.6
56.05030	0.8
56.96561	12.9
57.03424	0.9
61.02913	1.0
65.03900	0.5
66.84554	0.5
69.03410	1.6
70.06586	2.4
70.10423	0.4
70.98116	0.9
71.39114	0.5
71.39470	0.8
72.08138	2.2
73.02901	0.8
74.06054	0.7
80.00124	0.5
81.03413	1.2
82.06575	0.9
82.52744	0.4
84.04503	1.5
84.08152	4.0
84.96041	0.5
85.02907	4.3
85.08437	0.8
86.09707	4.0
88.99133	1.0
91.05484	1.3
95.06071	0.7
97.02874	1.3
98.97591	2.6
102.05524	0.9
109.02898	0.8
110.06042	7.9
110.07161	1.0
116.07100	1.4
116.98590	2.4
119.01910	1.1
119.04924	0.8
127.03902	1.2
128.98560	0.9
129.10214	1.4
130.06549	0.5
130.08659	0.9
130.10585	1.0
132.10286	0.6
133.03503	0.5
134.99686	2.6
136.06209	0.6
137.05974	1.6
138.05493	100.0
139.05844	1.3
141.06612	0.8
143.11787	1.0
146.01260	0.9
146.99641	1.7
147.04398	1.4
149.01233	0.7
150.00708	0.7
152.05658	5.2
153.00742	0.6
153.06459	6.4
155.01129	0.5
156.06546	37.0
157.13310	0.6
158.04868	0.7
158.99561	0.7
160.02739	0.6
160.06441	0.6
161.01176	0.7
162.99103	0.8
164.07190	0.5
165.00748	2.4
166.79204	0.5
168.01753	0.7
174.00798	0.7
177.00671	1.2
179.02290	0.7
188.02280	0.8
188.05936	1.1
188.40501	0.5
190.98685	1.1
193.00198	0.6
205.00217	1.0
206.07031	1.5
206.98195	0.6
208.02856	0.8
219.01692	0.7
220.02806	0.5
223.01338	1.2
224.08043	2.9
226.03850	0.7
238.03766	0.7
248.08139	1.7
274.09439	0.6
276.07516	0.8
277.04855	1.1
285.10635	1.4
295.06033	0.7
318.22189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.8
56.05023	4.0
56.96560	34.4
57.03422	7.6
61.02922	13.2
65.57175	2.2
69.03432	18.7
69.92194	5.3
69.92609	7.0
70.06595	10.6
72.08148	7.6
73.02901	9.1
74.97610	2.6
81.03390	7.9
83.06073	3.3
83.32878	2.1
84.01546	4.8
84.04487	8.0
84.08121	9.2
85.02908	22.9
86.09702	14.6
93.02052	3.4
95.06078	4.5
97.02891	25.8
98.97577	11.4
99.04453	3.4
101.01732	5.9
101.50895	2.1
102.05537	6.3
103.02320	3.0
105.02013	3.6
109.02903	4.8
110.01236	2.0
110.06041	3.0
110.07142	4.1
111.02050	3.9
115.03832	2.4
116.98608	11.6
118.02811	9.1
119.00203	3.9
119.01793	15.5
126.02679	2.1
127.03909	11.4
128.00197	3.5
128.02310	8.1
128.98572	5.9
129.10132	2.2
131.00151	9.6
134.99623	8.5
137.02930	3.8
138.05492	36.0
143.11864	3.6
144.10188	3.7
145.02820	4.5
145.23576	2.0
145.25128	2.0
146.01219	8.8
146.99609	7.0
147.03075	15.9
147.04108	2.8
149.01210	40.5
156.03609	100.0
156.06464	14.1
156.53831	8.0
157.13315	2.9
160.97513	3.2
161.01180	3.1
161.02937	2.5
163.03889	3.4
164.02319	3.0
165.00740	2.9
165.04076	2.7
167.02280	21.7
167.54405	14.3
170.99649	2.1
177.00716	5.9
182.03342	3.0
189.00548	2.9
190.98682	4.1
191.02235	4.7
192.04730	2.3
193.00206	2.8
201.00728	2.2
203.02219	5.1
206.97949	2.6
207.02869	5.9
207.05106	3.2
208.99615	3.6
219.01784	4.6
228.03287	4.3
228.05699	51.1
228.55907	6.9
237.02736	3.9
237.03667	2.4
237.06207	32.1
237.56508	3.1
269.05368	3.0
272.12280	2.4
277.07770	2.7
293.05496	13.7
295.08624	5.1
311.06479	12.0
318.12628	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	317.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01862	3.6
55.05503	14.9
57.07059	7.7
59.04984	5.8
60.04506	6.3
65.03927	2.7
67.05501	54.5
69.03413	7.2
69.07057	6.6
70.06576	7.9
70.54288	3.7
70.54646	5.2
71.04982	2.7
79.05488	16.9
81.03443	2.2
81.07055	30.7
83.04961	2.8
83.08591	2.6
88.07611	8.9
91.05483	19.7
93.07035	20.1
95.04964	31.7
95.08602	19.1
97.06514	7.5
102.09216	3.6
104.55396	1.9
105.07015	21.0
107.04978	2.7
107.08585	43.0
109.06506	21.8
109.10149	100.0
110.10506	2.0
111.08068	2.9
117.07027	3.1
118.67403	2.3
119.08578	57.8
121.06502	4.8
121.10146	7.4
122.07275	3.3
123.04508	2.4
123.08057	32.1
129.06990	2.3
131.08543	8.9
133.06448	6.5
133.10120	8.8
135.07999	11.6
135.11731	2.5
137.05945	2.8
137.09608	71.4
143.08554	6.8
145.10089	10.0
147.08051	6.8
147.11696	5.9
149.09634	7.0
151.07533	72.6
153.05446	4.8
155.08577	2.3
156.09274	2.9
157.10187	4.2
158.11003	2.0
159.08095	3.2
159.11717	6.0
161.09598	7.7
161.13232	4.2
163.07446	1.9
163.11214	5.7
165.09102	9.1
167.07039	3.6
171.11656	4.8
173.09631	4.5
173.13246	3.9
175.11151	3.8
175.14754	2.2
177.09090	3.5
180.92485	2.0
181.08577	4.7
181.10098	2.5
181.12225	3.8
182.10840	2.2
183.11726	4.0
189.12730	24.9
190.13242	2.3
197.13286	2.8
199.11198	2.8
203.14342	1.9
207.11871	3.6
207.13773	30.6
215.14305	4.9
217.12164	3.1
219.13762	2.4
221.15407	2.4
233.15352	3.1
237.14835	6.6
243.13789	11.3
256.26407	12.6
261.14832	4.5
281.18973	3.1
299.20068	10.1
317.21121	53.9
317.28873	3.1
318.21512	2.9
318.30002	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	3.8
55.05500	10.7
55.05730	2.2
55.53847	2.2
57.03419	3.5
65.03910	3.7
67.05170	3.8
67.05500	43.4
69.03419	3.1
69.07050	10.9
70.04642	4.7
70.05045	9.0
71.04989	46.1
79.05487	30.1
81.07055	54.9
83.08604	8.2
85.06541	3.9
89.37411	2.2
91.05476	11.2
93.07044	32.8
95.04953	4.5
95.08598	32.4
97.06526	19.4
98.97610	2.9
105.07026	7.6
107.08586	14.9
109.10149	21.3
111.08067	3.7
119.08582	8.0
121.10142	38.6
123.08038	2.4
123.11708	8.8
133.10088	5.6
135.11687	20.4
137.13228	2.8
139.53561	2.2
143.27927	2.4
147.11684	4.3
149.13251	10.5
149.45558	2.4
151.03877	3.1
153.01817	12.8
163.14890	3.9
172.16405	2.2
213.05377	4.3
217.05034	3.8
229.04985	3.6
241.05064	2.3
245.04453	3.0
257.04440	6.5
263.23767	12.1
271.06088	3.1
273.03879	4.7
274.04672	33.2
281.24692	10.2
285.03827	4.3
287.43961	2.8
302.04205	58.1
303.04587	4.1
317.06509	100.0
317.10062	6.2
318.06857	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	317.1381
Annotation	5'-Methoxysativan
Peak:m/z	Relative Intensity
56.00288	0.5
56.09046	0.6
57.07077	0.8
67.05511	3.7
70.06579	1.5
70.62756	1.0
78.04697	0.8
79.05480	0.8
81.07063	0.6
81.79452	0.5
88.03987	2.6
88.07628	1.9
91.05481	2.4
93.07045	0.7
95.04977	5.3
102.09173	2.4
105.07030	1.5
107.05008	1.1
107.08583	0.6
108.05727	1.0
121.02889	1.7
121.06523	1.5
123.04423	100.0
133.06454	2.3
135.04408	0.7
136.05165	4.0
138.06769	0.8
149.05969	4.1
151.07526	16.2
152.07925	0.8
161.05954	5.7
163.07553	0.7
164.08463	0.6
175.07524	0.9
176.08324	11.5
179.06984	0.7
180.07799	0.8
181.08591	38.1
182.08939	2.3
194.09338	1.3
195.10129	4.9
198.07228	0.5
207.10135	5.9
230.24849	1.4
236.46086	0.6
243.86337	0.8
256.26303	7.2
317.06525	1.6
317.27991	6.4
318.29871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.03929	2.3
55.01862	3.6
55.05503	14.9
57.07059	7.7
59.04984	5.8
60.04506	6.3
65.03927	2.7
67.05501	54.5
69.03413	7.2
69.07057	6.6
70.06576	7.9
70.54288	3.7
70.54646	5.2
71.04982	2.7
79.05488	16.9
81.03443	2.2
81.07055	30.7
83.04961	2.8
83.08591	2.6
88.07611	8.9
91.05483	19.7
93.07035	20.1
95.04964	31.7
95.08602	19.1
97.06514	7.5
102.09216	3.6
104.55396	1.9
105.07015	21.0
107.04978	2.7
107.08585	43.0
109.06506	21.8
109.10149	100.0
110.10506	2.0
111.08068	2.9
117.07027	3.1
118.67403	2.3
119.08578	57.8
121.06502	4.8
121.10146	7.4
122.07275	3.3
123.04508	2.4
123.08057	32.1
129.06990	2.3
131.08543	8.9
133.06448	6.5
133.10120	8.8
135.07999	11.6
135.11731	2.5
137.05945	2.8
137.09608	71.4
143.08554	6.8
145.10089	10.0
147.08051	6.8
147.11696	5.9
149.09634	7.0
151.07533	72.6
153.05446	4.8
155.08577	2.3
156.09274	2.9
157.10187	4.2
158.11003	2.0
159.08095	3.2
159.11717	6.0
161.09598	7.7
161.13232	4.2
163.07446	1.9
163.11214	5.7
165.09102	9.1
167.07039	3.6
171.11656	4.8
173.09631	4.5
173.13246	3.9
175.11151	3.8
175.14754	2.2
177.09090	3.5
180.92485	2.0
181.08577	4.7
181.10098	2.5
181.12225	3.8
182.10840	2.2
183.11726	4.0
189.12730	24.9
190.13242	2.3
197.13286	2.8
199.11198	2.8
203.14342	1.9
207.11871	3.6
207.13773	30.6
215.14305	4.9
217.12164	3.1
219.13762	2.4
221.15407	2.4
233.15352	3.1
237.14835	6.6
243.13789	11.3
256.26407	12.6
261.14832	4.5
281.18973	3.1
299.20068	10.1
317.21121	53.9
317.28873	3.1
318.21512	2.9
318.30002	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Milimorin
Peak:m/z	Relative Intensity
54.15002	0.2
65.03916	0.9
68.99777	0.7
73.11231	0.3
79.05492	0.6
81.07047	0.2
91.05504	0.3
92.02628	3.9
93.03404	2.9
94.04176	0.3
95.04953	0.4
97.06529	3.4
99.35495	0.2
108.80114	0.2
111.00790	0.5
111.04463	0.2
121.02874	3.0
122.03650	0.3
126.03098	1.2
130.06528	1.7
131.04953	0.3
132.04492	0.5
137.02359	0.6
137.05916	0.3
139.03885	1.9
145.06454	0.3
151.03906	2.0
153.01822	21.6
154.02286	0.4
155.04892	0.4
157.07628	1.8
158.06029	1.0
161.05966	0.4
163.03931	0.3
165.01805	1.3
166.02626	0.3
167.03505	0.3
173.05960	0.6
175.08693	1.3
177.05515	0.7
179.03407	0.3
183.02975	0.3
187.03917	0.3
189.05511	0.5
190.06158	0.3
192.04132	0.3
200.04721	0.9
201.05467	2.0
203.03365	1.9
203.08203	2.2
204.04199	0.5
217.04922	4.1
218.05716	1.4
219.02942	1.2
221.09190	0.5
228.04170	4.3
229.04959	9.3
229.85101	0.3
230.05360	0.3
231.02831	1.5
239.03384	0.4
243.06473	0.6
245.04471	5.5
246.05228	4.4
256.03604	0.9
257.04443	5.2
259.85699	0.3
260.03189	0.9
261.07565	0.5
271.06061	0.4
273.03885	4.3
274.04709	8.1
284.03180	1.2
285.03903	9.2
286.04535	0.3
287.01816	0.4
288.06198	0.5
299.13916	0.4
301.03574	0.3
302.04199	26.2
303.04462	0.7
317.06540	100.0
318.06924	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Cajanol
Peak:m/z	Relative Intensity
52.58567	0.9
56.96562	1.0
57.68515	0.9
65.03616	1.1
65.03942	20.7
67.05484	1.3
68.99780	1.4
71.02905	2.1
79.05492	1.3
81.07071	1.7
83.04982	1.0
91.05478	19.5
91.61069	0.9
93.03405	11.5
93.07034	2.7
94.04166	2.3
95.04974	2.2
95.08643	1.0
96.02112	2.4
105.03413	1.9
105.06983	1.2
107.01295	1.2
107.04932	2.1
107.08621	1.3
109.10215	1.1
110.03624	2.5
111.04441	59.3
119.04955	14.1
121.06483	2.2
122.03675	9.0
125.05988	33.8
130.06589	1.6
133.02849	54.2
135.04424	5.9
137.05975	88.6
139.03896	19.9
141.06969	2.1
149.05943	8.3
150.03041	1.1
150.06749	9.9
151.03882	2.8
151.07541	7.4
152.01053	3.8
153.01807	4.4
153.05463	34.6
163.03835	1.2
163.22281	0.9
165.05475	32.0
166.05724	1.1
167.03395	45.6
169.06537	1.7
177.05447	4.0
178.02637	1.2
193.04953	48.4
197.05966	4.4
225.05414	2.9
229.08572	5.0
240.67532	1.0
245.04213	1.2
252.54750	1.0
257.07953	5.0
273.03897	1.2
274.04654	2.0
285.03986	1.2
285.07333	1.5
289.10718	10.1
298.40613	1.3
302.04202	5.0
317.06543	18.8
317.10172	100.0
318.06924	1.1
318.10516	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	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79675	0.3
58.87950	0.2
59.23673	0.2
65.03918	0.6
68.11794	0.3
68.52445	0.2
68.99779	0.8
69.76172	0.5
69.76582	1.2
81.03387	0.3
92.02618	2.7
93.03407	2.7
121.02852	2.2
122.03639	0.4
126.03146	1.4
134.65512	0.3
135.04465	0.4
137.02333	0.6
139.03914	1.4
144.22328	0.3
151.03902	0.9
153.01817	17.7
163.03918	0.4
165.01849	1.0
166.02516	0.3
173.05910	0.3
177.05444	0.4
183.02875	0.3
190.06194	0.4
200.04694	0.6
201.05450	1.6
203.03429	2.0
215.10735	0.3
217.04971	3.5
218.05795	1.2
219.02948	0.7
228.04164	4.2
229.04938	8.0
231.02835	1.4
232.03731	0.4
243.06441	0.3
243.55354	0.3
245.04460	4.0
246.05220	3.3
256.03619	0.6
257.04404	4.6
260.03189	0.7
261.07730	0.3
271.06070	0.3
273.03885	3.1
274.04709	6.9
284.03214	0.7
285.03925	8.0
288.06366	0.4
302.04193	22.5
303.04254	0.4
317.06531	100.0
318.06821	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	317.065
Annotation	Milimorin
Peak:m/z	Relative Intensity
51.52812	0.1
52.27259	0.1
53.03935	0.1
55.01871	0.3
65.03936	1.3
67.01856	0.4
68.31784	0.1
68.99786	0.9
69.03127	0.2
69.03429	1.6
69.07070	1.5
69.22412	0.6
69.22844	0.9
70.06570	0.2
71.04980	0.1
81.03397	0.5
81.07034	0.2
83.04961	0.2
84.08147	0.7
85.02896	0.3
86.09692	0.4
91.05478	0.1
91.19495	0.2
92.02619	4.2
93.03403	3.6
94.04167	0.3
95.01305	0.2
95.04966	0.2
97.02849	0.2
103.05393	0.2
105.03389	0.2
105.07032	0.2
108.02073	0.3
109.02868	0.5
109.06548	0.1
111.00803	0.5
111.04424	0.2
115.07556	0.3
119.04912	0.4
121.02863	2.9
121.06519	0.2
122.03632	0.4
123.04424	2.4
124.01553	0.4
125.83896	0.1
126.03127	1.4
127.03907	0.5
129.10236	0.2
131.04912	0.2
133.02832	0.3
135.04337	0.3
136.01512	0.1
137.02333	1.3
137.05957	0.2
138.03088	0.2
138.09131	0.2
139.03860	2.0
141.01807	0.1
141.05469	0.3
145.02861	0.2
145.06482	0.4
147.04407	1.1
150.03098	0.4
151.03896	3.1
151.05046	0.2
153.01816	22.9
153.05440	0.4
154.02254	0.2
155.04912	0.4
156.10135	0.3
156.11276	0.2
159.04425	0.3
160.43044	0.2
161.05984	0.7
163.03911	0.7
165.01825	1.5
165.05470	4.0
166.02602	0.5
170.02110	0.2
171.02837	0.3
171.04346	0.2
172.05165	0.3
173.05962	0.6
175.03859	0.2
176.04659	0.2
177.01884	0.3
177.05475	0.7
178.02675	0.2
179.03401	0.5
181.01210	0.2
183.02921	0.3
183.04410	0.4
187.03867	0.5
189.05511	0.4
190.02669	0.2
190.06190	0.3
191.03424	0.2
192.04129	0.2
200.04669	1.0
201.05460	2.4
203.03394	2.0
204.04063	0.4
205.04922	0.3
207.06445	0.3
215.03342	0.3
217.04932	4.4
218.05670	1.3
219.02856	1.1
228.02292	0.1
228.04140	4.8
229.04945	9.4
230.05467	0.2
231.02824	1.5
231.04906	0.2
232.03746	0.2
233.04514	0.5
239.03413	0.4
243.02956	0.2
243.06557	0.4
244.03551	0.2
245.04430	5.4
246.05231	4.3
247.02255	0.1
254.13922	0.3
256.03714	0.7
257.04440	5.4
258.05197	0.2
260.03146	0.9
261.03860	0.2
261.07559	0.4
271.05981	0.5
273.03922	4.3
274.04703	8.5
275.05081	0.2
279.22925	0.1
284.03183	1.2
285.03940	9.2
286.04407	0.5
287.01932	0.2
287.10251	0.5
288.06235	0.4
289.03491	0.2
299.05542	0.2
299.10199	0.3
301.03394	0.6
302.04187	25.3
303.04559	0.6
317.06531	100.0
318.06863	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.21251	0.3
65.03927	1.2
68.99774	0.5
69.38007	1.3
69.38439	1.2
73.66758	0.2
81.03408	0.3
85.02943	0.3
88.88445	0.2
91.80480	0.2
92.02606	4.1
93.03401	2.9
95.01316	0.3
111.00794	0.4
111.43082	0.2
121.02857	2.3
122.03590	0.3
126.03128	1.5
131.04842	0.3
135.04407	0.3
137.02342	0.7
137.05949	0.3
139.03928	1.5
151.03886	1.8
152.43105	0.3
153.01816	21.3
154.02174	0.3
155.04936	0.3
165.01833	1.2
166.02585	0.4
170.02147	0.5
173.05980	0.4
177.05539	0.6
183.02866	0.4
183.04382	0.5
187.03867	0.3
190.06296	0.3
200.04716	1.1
201.05421	1.9
203.03392	2.6
204.04190	0.5
205.72971	0.3
215.61331	0.2
215.63400	0.2
217.04941	3.7
218.05666	1.2
219.02873	0.8
228.04144	4.6
229.04930	8.1
230.05710	0.3
231.02921	1.4
245.04427	4.7
246.05197	3.2
254.19998	0.3
256.03625	0.7
257.04431	5.5
258.05029	0.3
260.03143	1.1
261.07669	0.3
271.06113	0.6
273.03915	3.4
274.04700	8.0
284.03217	0.9
285.00803	0.5
285.03925	8.3
287.01843	0.5
288.06104	0.4
301.03491	0.5
302.04184	23.6
303.04642	0.7
317.06534	100.0
318.06851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.18980	0.2
55.07515	0.1
57.03439	0.2
63.02332	0.2
65.03925	1.1
67.01865	0.2
68.99773	1.3
69.03426	0.2
69.23074	1.8
71.04935	0.2
79.05453	0.2
83.04982	0.1
85.02895	0.2
91.05434	0.2
92.02611	3.6
92.24903	0.1
93.02815	0.2
93.03392	3.2
94.04173	0.4
95.04975	0.3
98.20733	0.3
105.03380	0.2
105.07056	0.2
107.04927	0.4
108.02136	0.2
109.02847	0.4
111.00769	0.3
115.05463	0.2
115.78978	0.1
117.07011	0.2
119.08584	0.2
120.69357	0.1
121.02856	2.8
122.03596	0.3
123.04423	0.3
124.01502	0.3
125.01543	0.1
126.03114	1.2
126.61016	0.2
131.04913	0.4
133.02843	0.4
133.06439	0.1
135.04410	0.2
136.07552	0.1
137.02315	0.9
137.05934	0.2
139.03885	2.0
145.06471	0.5
147.04419	0.2
149.02327	0.4
149.06076	0.2
150.03114	0.5
151.03889	1.6
153.01808	22.1
154.02136	0.2
155.04881	0.5
157.06517	0.2
163.03879	0.6
165.01813	1.2
166.02655	0.4
170.02097	0.5
171.02945	0.2
173.05986	0.7
176.04630	0.2
177.01834	0.3
177.05441	0.4
178.02589	0.2
179.03206	0.3
183.02917	0.3
183.04428	0.3
187.03897	0.5
189.05524	0.3
190.06175	0.3
191.03371	0.4
192.04105	0.4
200.04575	0.9
201.05438	2.0
203.03383	2.3
204.04178	0.4
205.04959	0.5
211.03850	0.4
213.05438	0.4
217.04939	4.2
218.05719	1.8
219.02893	0.8
228.04140	4.7
229.04932	10.1
230.05409	0.4
231.02817	1.7
232.03680	0.2
233.04471	0.2
239.03362	0.4
243.03015	0.2
243.06456	0.5
245.01845	0.2
245.04437	4.9
246.05179	4.0
247.02269	0.2
255.17737	0.2
256.03546	0.7
257.04404	7.0
258.05063	0.2
259.02209	0.2
260.03165	0.8
261.07529	0.5
271.05911	0.7
273.03915	3.5
274.04669	8.2
284.03186	1.1
285.03897	9.7
286.04483	0.2
287.01868	0.3
288.06183	0.4
299.05511	0.3
299.20572	0.3
301.03433	0.5
302.04172	23.1
303.04523	0.6
317.06506	100.0
318.06912	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.58672	0.4
68.99802	0.6
70.09763	0.5
92.02621	3.3
93.03415	2.5
111.00830	0.8
121.02863	2.3
126.03137	0.9
134.97861	0.5
137.02307	0.8
139.03888	1.6
151.03868	1.9
153.01822	18.9
160.86813	0.5
165.01816	1.2
173.05981	0.8
184.62242	0.5
199.49193	0.5
200.04642	0.9
201.05467	1.4
203.03406	2.3
204.04189	0.5
217.05002	2.4
218.05681	1.6
228.04163	3.2
229.04956	6.8
231.02866	0.6
243.06572	0.6
245.04482	4.4
246.05228	3.0
256.03433	0.8
257.04395	4.3
260.03326	0.6
261.07620	0.8
268.97141	0.6
273.03961	3.4
274.04681	7.6
284.03287	0.6
285.03946	9.3
286.04639	0.5
302.04199	26.3
317.06546	100.0
318.06772	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Milimorin
Peak:m/z	Relative Intensity
52.04287	0.1
55.01880	0.1
57.53717	0.2
58.94689	0.2
65.03936	1.0
67.05484	0.2
68.99768	0.8
69.03437	0.2
69.36500	0.5
69.36923	1.1
81.03395	0.2
92.02625	4.4
93.03405	4.0
93.07006	0.2
94.04189	0.3
95.01328	0.2
95.04950	0.3
98.02428	0.2
105.03355	0.2
108.02071	0.2
109.02885	0.3
111.00770	0.4
111.04417	0.2
117.06982	0.3
120.02083	0.3
121.02864	3.0
122.03620	0.4
123.04387	0.3
124.01547	0.3
126.03135	1.5
131.04932	0.4
133.02837	0.4
135.04472	0.2
137.02344	0.9
139.03902	1.9
143.08501	0.2
145.06467	0.3
147.04373	0.2
149.02364	0.3
151.03912	1.7
151.05016	0.3
153.01819	22.7
154.02165	0.2
155.04947	0.6
155.81662	0.2
163.03915	0.4
165.01842	1.4
166.02567	0.5
170.02090	0.3
171.04529	0.3
172.05145	0.3
173.05946	0.6
177.01898	0.3
177.05470	0.5
179.03410	0.5
183.02895	0.3
183.04430	0.3
187.03899	0.5
189.05428	0.4
190.06233	0.2
191.03406	0.3
192.04132	0.3
200.04675	0.9
201.05460	2.3
203.03372	2.3
204.04114	0.2
205.04948	0.2
211.04071	0.3
214.47670	0.2
217.04932	4.4
218.05719	1.6
219.02873	1.0
227.42375	0.2
228.04161	4.6
229.04947	9.4
230.05460	0.2
231.02887	1.4
232.03636	0.3
239.03516	0.3
243.06490	0.4
245.04451	5.7
246.03014	0.1
246.05215	3.9
256.03650	0.7
257.04428	5.4
258.04968	0.4
260.00650	0.2
260.03101	1.2
261.07590	0.6
271.06003	0.5
273.03949	4.3
273.22330	0.2
274.04703	8.6
284.03156	1.3
285.03915	9.4
286.04462	0.4
287.01782	0.5
288.06256	0.3
301.03445	0.4
302.04196	25.9
303.04498	0.7
317.06537	100.0
318.06909	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03940	0.7
55.05511	5.7
56.05034	4.1
57.03424	0.6
57.07079	2.0
60.04522	100.0
61.04860	0.5
67.05501	9.8
68.05018	0.6
69.07064	4.3
69.33329	1.1
69.33750	3.1
70.06595	1.5
71.08628	1.1
72.04520	2.5
74.06065	2.9
79.05488	4.0
80.05016	0.6
81.03406	0.5
81.07055	8.0
82.06573	1.1
83.04986	0.8
83.08617	3.2
83.68561	0.3
84.08137	0.4
85.10181	0.6
86.06068	0.9
87.04459	2.1
90.05544	1.2
91.05475	3.0
93.07032	3.7
94.06586	0.7
95.04951	0.7
95.08602	7.9
96.08118	0.7
97.10168	1.6
105.07027	2.4
105.88466	0.4
106.08648	0.5
107.08604	2.0
109.10152	2.8
112.07603	1.0
119.08585	1.4
120.06577	0.5
121.10142	1.6
122.09652	0.6
123.11713	1.1
125.13213	0.5
133.10129	1.3
135.11687	1.2
147.11707	0.9
149.13278	0.8
160.64001	0.4
203.35112	0.4
226.53061	0.4
245.22711	0.6
250.25340	1.4
256.26334	0.7
262.25333	1.5
263.23581	0.5
268.26291	0.5
280.26328	11.2
298.27393	10.4
299.27539	0.7
308.19751	0.4
316.28491	23.4
317.06760	0.5
317.28900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1929
Annotation	E-64c
Peak:m/z	Relative Intensity
57.07070	2.4
71.57964	0.9
99.49533	1.1
104.45667	0.9
107.64204	1.0
234.67143	0.9
259.28275	2.6
260.79761	1.1
314.34146	1.8
315.19305	100.0
315.34476	13.7
316.19550	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	316.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.4
56.05033	2.0
60.04530	14.1
62.72402	1.9
67.05495	3.8
67.91219	1.5
69.03419	11.6
69.07057	6.0
70.06593	36.9
71.56693	2.8
72.08157	33.1
74.05988	1.8
81.03415	3.3
81.07049	3.9
83.04987	2.0
84.04507	5.1
84.08151	8.4
85.02888	3.6
86.09702	100.0
87.05585	7.5
91.05493	4.0
93.07039	2.7
94.06530	1.8
95.04980	2.2
107.04929	3.3
108.08112	8.4
109.10146	2.2
110.07156	10.8
116.07092	64.4
116.41466	1.5
119.04922	3.1
120.08112	2.8
121.06458	2.1
123.04424	16.4
124.07597	4.7
128.10721	5.2
129.10237	4.1
136.07547	2.4
137.05949	2.2
141.05478	2.2
147.04408	5.9
153.05432	3.3
154.08617	25.0
156.07675	5.6
157.09691	2.1
165.05475	33.0
170.06290	2.0
171.14923	8.5
173.12856	33.3
177.05444	2.3
183.08144	2.5
188.07095	1.8
195.06433	2.5
199.14415	4.9
199.18074	11.9
201.12437	5.4
203.14012	4.0
227.17393	2.3
253.08736	2.0
257.08017	1.7
287.10263	2.0
289.03497	3.0
299.09589	1.8
316.05441	2.3
316.14279	2.9
317.02969	4.9
317.06540	10.6
317.10361	6.7
317.12360	4.0
335.35968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
51.11879	0.3
55.05485	0.4
56.96546	0.5
57.22923	0.2
60.04494	0.8
60.56910	0.3
67.05474	0.6
69.07012	0.4
70.20653	0.8
70.50031	0.3
76.53108	0.3
79.05476	0.4
81.03385	0.7
81.07030	0.8
83.08635	0.3
88.38487	0.3
91.04538	0.3
91.05464	0.9
93.07025	0.7
95.08549	0.4
105.06992	0.5
107.08559	0.4
108.01371	0.5
108.02091	7.7
109.02894	0.6
109.10133	0.4
117.07010	0.3
118.04173	2.7
119.04943	1.4
119.08558	0.4
121.02873	0.7
121.10071	0.5
125.09684	0.3
131.08656	0.3
131.18236	0.3
141.06969	0.6
142.07767	0.5
148.05193	0.5
152.01033	0.4
152.06189	0.8
153.01805	0.9
153.06961	0.8
154.02586	0.4
167.03461	0.5
169.06474	3.2
170.07214	1.6
181.06393	1.0
184.05202	0.4
197.06010	2.9
198.06693	0.9
208.05257	0.6
225.05476	1.2
226.06230	26.9
227.06758	0.4
230.05782	0.4
243.06522	0.4
252.04233	0.6
253.04950	1.8
254.05725	45.8
255.06198	1.0
257.04382	0.9
269.08163	0.4
269.22629	0.4
270.05276	0.6
271.05994	3.4
281.04419	0.9
282.05219	37.3
283.02411	0.7
283.05753	1.1
285.03995	1.0
299.05484	3.3
300.06259	16.0
301.06607	0.4
305.25320	0.3
315.08597	100.0
316.08942	2.4
333.08551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	Prosogerin B
Peak:m/z	Relative Intensity
51.02366	0.8
53.03932	0.7
55.05497	0.7
60.04528	9.1
61.04856	0.6
65.03616	0.7
65.03942	11.4
67.05499	1.8
68.99783	0.8
70.32703	2.3
72.04510	0.7
77.03938	0.7
79.05479	2.8
81.07067	1.3
83.04976	0.6
91.05483	20.2
93.03404	8.3
93.07024	1.8
95.04951	2.3
95.08598	0.9
96.02096	2.3
105.03387	1.8
107.08598	1.2
109.06525	0.6
111.04444	39.4
119.04104	1.2
119.04945	23.4
119.08572	0.8
121.73251	0.5
123.03579	1.1
123.04434	21.9
130.01584	0.7
133.02855	40.0
135.04419	65.3
137.05977	12.8
139.03900	24.5
147.04378	5.7
147.07915	0.7
148.05193	10.0
149.02341	2.7
149.05991	12.0
150.03125	0.8
151.03900	40.8
152.01099	3.2
153.05484	0.8
153.06960	0.6
165.05479	25.7
165.06911	1.3
167.03407	33.5
169.06483	2.3
175.03882	4.9
178.02562	1.1
185.06087	0.8
193.04968	41.6
197.05989	4.0
209.05919	1.5
225.05518	1.1
227.07062	4.3
237.05472	1.0
255.06493	4.6
257.08078	0.8
279.22495	0.6
282.05267	0.8
283.02350	1.6
287.09103	6.0
297.07660	1.7
300.06366	2.7
314.26877	1.2
315.08615	100.0
315.27054	1.3
316.09015	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	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01870	0.3
62.99217	0.2
64.56567	0.2
66.15089	0.2
68.99780	1.5
91.05476	0.3
95.04942	0.4
96.02106	0.9
98.21454	0.5
107.01305	0.3
111.04433	3.1
119.04939	5.3
121.06496	3.8
124.01556	0.7
131.04842	0.3
133.02829	1.5
134.03641	0.5
135.04396	1.2
137.05954	0.8
139.03903	3.1
148.05164	5.7
149.05986	1.8
151.03885	0.9
152.01038	4.4
157.56035	0.2
163.03896	2.9
167.03395	14.1
169.01398	0.4
175.03899	9.2
176.04286	0.3
179.03365	0.6
183.04433	0.5
184.03648	0.8
184.05141	0.6
185.04373	0.3
197.05911	0.4
198.06795	0.6
199.07497	0.8
201.05470	1.2
212.04678	1.8
213.05463	0.6
215.03424	0.5
215.06992	0.6
216.07852	0.9
217.04990	0.3
218.68596	0.3
226.06230	1.0
227.07027	2.1
227.11681	0.5
229.04994	1.6
230.05775	1.1
231.06468	0.8
239.03377	0.7
240.04153	5.0
241.04967	0.4
241.08609	0.3
243.06485	2.3
244.07251	2.0
254.05782	1.7
255.06519	8.4
255.11176	0.4
256.07190	0.9
257.04422	2.4
259.09659	4.9
267.02902	0.5
268.03650	0.6
271.05881	0.3
271.09549	0.3
272.06757	3.5
282.05231	2.4
283.06012	0.9
285.03934	0.3
287.09119	1.8
297.07565	0.9
300.06271	8.8
315.08597	100.0
316.08932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.28103	0.1
64.92532	0.2
67.36091	0.1
67.84859	0.2
68.99794	0.7
69.07046	0.2
69.57468	1.3
77.66087	0.2
91.05486	0.3
92.55058	0.2
95.01332	0.3
105.03369	0.4
110.03622	0.2
111.04429	0.5
115.05448	0.2
121.06539	0.4
123.00787	1.1
123.04430	0.5
124.05179	0.2
128.06223	0.3
131.04903	0.2
133.02844	0.2
134.03627	2.6
135.04463	0.2
137.05959	0.6
138.03145	0.5
139.03879	0.3
139.05450	0.4
144.05722	0.2
145.06485	0.3
147.39545	0.2
148.05185	0.6
149.06001	0.4
150.99077	0.2
151.00322	0.2
151.03914	0.6
152.01001	0.5
155.04930	0.4
156.05669	0.5
159.04416	0.5
161.02374	0.2
163.03886	0.2
163.07527	0.2
166.02623	0.4
167.03403	6.8
167.04889	0.8
169.01335	1.6
170.03618	0.3
171.04440	0.5
173.05986	0.5
175.03905	0.8
179.07053	0.3
181.56569	0.2
183.04446	0.5
184.03683	6.0
184.05209	1.0
185.05908	0.3
187.03958	0.3
187.07524	0.3
188.08337	0.2
192.04225	0.3
195.04417	0.9
198.06760	0.2
199.07506	0.6
201.05412	1.6
202.06110	0.2
211.03882	0.7
212.04686	3.3
213.05365	0.7
215.03523	0.2
215.06973	1.2
216.07829	1.9
223.03908	0.7
225.05447	0.2
227.07045	1.7
228.04150	0.9
229.04958	2.9
239.03365	0.6
240.04149	4.7
241.04869	0.4
243.06493	7.7
244.07269	4.5
244.12480	0.2
248.71503	0.2
253.04733	0.2
254.05794	0.3
255.06506	5.3
256.07474	0.2
257.04440	1.4
259.09634	1.7
267.02863	1.5
267.72226	0.2
268.03604	2.5
268.06195	0.2
271.06052	1.4
272.06781	2.8
283.06000	5.1
284.03165	0.3
285.04013	0.9
287.09131	0.2
299.05478	5.7
300.06253	30.1
301.06479	0.7
315.08588	100.0
316.08887	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0856
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.01601	0.2
55.01868	0.3
56.80288	0.2
56.96550	0.2
57.07072	0.4
68.99782	1.6
69.07040	0.4
69.27773	2.2
74.68646	0.2
79.05448	0.2
81.07037	0.3
91.05470	0.4
93.07005	0.4
95.01300	0.4
95.04945	0.7
95.08578	0.4
96.02098	0.7
98.97546	0.2
100.07607	0.7
107.01315	0.4
111.04430	3.5
111.05122	0.4
115.05509	0.2
119.04931	5.1
121.06506	4.0
123.00772	0.2
123.04410	0.2
124.01582	0.6
127.11151	0.4
128.06232	0.4
133.02827	1.5
133.10112	0.2
133.65614	0.2
134.03642	1.1
135.04449	1.2
137.05933	1.0
139.03883	4.2
139.60443	0.2
147.04393	0.2
148.05173	5.4
149.05956	2.2
151.03886	0.9
152.01016	3.3
159.04349	0.3
163.03876	2.7
167.03386	15.2
168.05742	0.2
169.01329	0.3
171.08028	0.5
173.05994	0.4
174.06708	0.2
175.03894	10.6
177.05322	0.4
179.03430	0.5
183.04355	0.5
184.03642	1.0
184.05205	0.8
184.16974	1.6
185.04353	0.3
185.05937	0.3
185.17319	0.7
187.03772	0.3
188.08354	0.3
197.06017	0.3
197.19780	0.2
198.06718	1.0
199.07462	1.0
201.05446	1.2
202.06268	0.2
205.04829	0.2
211.03972	0.3
211.07518	0.5
212.04668	2.3
213.05508	0.6
215.03395	0.2
215.07037	0.7
216.07802	0.9
226.06223	1.2
227.06969	3.2
229.04922	1.6
230.05743	1.0
231.06544	1.0
239.03407	0.5
240.04152	5.5
241.04848	0.6
241.08525	0.3
243.06531	2.4
244.07320	2.1
254.05743	2.0
255.06508	9.0
256.07123	1.1
257.04401	2.2
258.04913	0.3
259.09653	5.8
267.02875	0.4
268.03574	0.4
269.04486	0.3
269.07898	0.3
271.06021	0.5
271.09869	0.3
272.06747	3.9
282.05267	3.1
283.06021	1.2
283.09509	0.4
285.04028	0.2
287.09097	2.2
297.07501	1.1
299.05539	0.5
300.06265	9.2
314.27951	0.9
315.08588	100.0
315.28348	0.8
316.08878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.90513	0.2
55.05501	0.3
58.04443	0.2
59.54433	0.2
60.31656	0.2
62.95285	0.2
68.99798	0.3
69.03423	0.5
71.60560	0.2
76.76209	0.2
78.04674	0.3
79.40095	0.3
81.07033	0.3
84.41993	0.2
89.03918	0.4
91.05470	0.4
93.07067	0.3
95.01323	0.4
95.04952	0.4
95.08608	0.3
105.07058	0.4
107.04977	0.3
117.03402	0.4
121.06474	0.4
125.02376	0.4
128.06236	0.3
132.05707	0.5
134.03618	5.6
135.04387	0.4
138.03113	3.2
140.04765	0.3
145.10144	0.3
150.70486	0.3
155.05045	0.3
156.05652	0.4
161.02330	0.5
163.03885	1.2
166.02611	1.5
167.03397	14.1
168.03661	0.3
168.05719	0.4
171.08095	0.6
173.06050	0.5
175.03882	1.1
184.03674	4.3
184.05196	0.8
187.07613	0.5
188.08412	0.7
195.04504	0.4
197.06013	0.5
198.06787	0.3
199.07527	1.0
201.05504	1.3
212.04660	2.6
213.05391	0.5
215.06992	1.8
216.07826	1.7
217.04886	0.4
225.05487	0.3
226.06079	0.4
227.07021	4.0
229.05022	0.6
240.04156	4.8
241.04709	0.3
243.06526	17.1
244.07274	5.5
254.05795	0.3
255.06494	11.4
257.04449	1.0
259.09656	1.6
268.03619	1.0
271.06064	2.1
272.06717	2.1
282.05328	0.4
283.05997	16.3
285.03873	1.0
287.09116	0.6
299.05463	4.2
300.06265	32.4
301.06610	0.7
315.08600	100.0
316.08890	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05515	0.2
56.46376	0.3
67.05491	0.3
68.99774	1.1
70.06593	0.3
70.59753	0.8
81.07043	0.3
91.05467	0.5
95.04966	0.7
96.02119	0.3
111.04431	2.1
119.04923	2.4
121.06508	2.5
124.01579	0.5
133.02849	0.9
134.03595	0.6
135.04382	0.4
137.05946	0.6
139.03897	2.5
148.05180	3.3
149.05978	0.8
151.03926	0.7
152.01059	2.1
163.03906	2.0
167.01964	0.5
167.03398	9.4
170.02017	0.3
171.08038	0.3
175.03908	6.0
184.03670	0.7
184.05159	0.5
187.03818	0.3
193.06570	0.3
195.02896	0.4
198.06731	0.6
199.07509	0.5
201.05426	0.7
211.03879	0.5
212.04712	1.1
213.05473	0.9
215.07034	0.3
216.07867	0.7
226.06244	0.8
227.07004	2.0
229.04942	6.4
230.05701	0.7
239.03352	0.3
240.04155	2.6
241.04828	0.4
243.06458	2.3
244.07304	1.3
254.05690	1.0
255.06500	5.6
256.07260	0.5
257.04410	6.3
259.09686	3.6
267.02914	0.3
268.03601	0.7
269.08075	0.4
271.06006	0.6
271.09561	0.3
272.06781	10.4
273.07297	0.2
278.17926	0.3
282.05243	1.7
283.06009	1.4
283.09125	0.4
285.03925	0.9
287.06241	0.2
287.09149	1.5
297.07578	0.7
299.05457	1.7
300.06265	26.6
301.06674	0.6
309.06580	0.2
315.08597	100.0
316.08890	2.2
334.06448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
69.03404	0.9
70.63697	1.2
79.05462	0.8
87.66863	0.5
91.05462	1.6
95.01334	0.9
95.04935	0.8
103.05430	0.6
105.03350	0.7
109.06473	1.3
110.40810	0.4
111.04424	0.8
111.15556	0.5
119.04919	0.7
121.06467	1.5
121.10182	0.4
123.04413	2.0
125.05964	0.5
134.03618	18.0
135.04454	2.3
136.04724	1.3
137.05013	0.7
137.05963	14.3
138.03090	4.3
145.10104	0.7
151.03854	0.6
153.05457	1.0
163.03882	3.0
165.05531	0.4
165.13960	0.5
166.02588	1.1
167.03391	25.6
175.03867	0.6
183.04616	0.5
184.03642	3.6
184.05124	0.9
193.04922	2.1
199.07564	0.7
211.78964	0.4
212.04654	0.6
227.06979	1.5
230.05737	0.8
231.06483	1.5
240.04102	2.9
241.08768	0.5
243.06435	1.7
244.07207	1.0
253.04958	0.8
254.05685	1.1
255.06509	3.9
257.04593	0.9
259.09656	5.1
268.03769	0.7
269.22543	0.7
271.05975	0.9
271.09430	0.6
272.06696	1.3
282.05203	2.2
283.06027	8.7
287.08939	1.9
297.07544	0.9
299.05429	4.8
300.06232	9.4
315.08572	100.0
316.09000	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	315.0856
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
54.23800	0.2
54.27028	0.2
55.01873	0.3
55.05534	0.4
65.03958	0.2
66.27904	0.2
67.05525	0.4
68.99824	0.7
69.03442	0.3
69.54942	1.9
70.06614	0.2
79.05491	0.4
88.74062	0.2
91.05485	0.5
95.01357	0.6
95.08622	0.4
97.06551	0.3
103.05463	0.3
107.05049	0.2
109.06580	0.3
110.03666	0.3
111.04446	0.4
119.08601	0.3
121.06483	0.3
123.00791	1.2
128.06215	0.5
129.09129	0.4
131.04979	0.4
133.02867	0.3
134.03632	3.1
135.04451	0.3
137.06021	0.5
138.03156	0.9
138.15094	0.3
139.03915	0.3
139.05469	0.3
144.05768	0.3
145.26753	0.2
146.78868	0.2
148.05164	0.4
149.06111	0.3
151.00354	0.4
151.03922	0.6
152.01028	0.5
155.04939	0.5
156.05701	0.5
159.04356	0.4
163.03851	0.2
165.07076	0.3
167.03403	8.1
167.04869	0.8
169.01311	1.9
170.03574	0.4
171.04419	0.5
173.06000	0.4
175.03986	0.7
179.03427	0.2
183.04422	0.6
184.03688	7.5
184.05193	1.3
187.03899	0.3
187.07483	0.4
188.08351	0.3
195.02853	0.2
195.04462	0.9
198.06674	0.4
199.07527	0.5
201.05478	1.7
211.03925	0.8
212.04680	3.4
213.05455	0.4
215.07025	1.2
215.14380	0.2
216.07791	1.5
223.03932	0.7
223.13223	0.3
225.05421	0.3
226.06274	0.3
227.07050	2.2
228.04173	0.8
229.04953	2.8
239.03276	0.6
240.04178	5.1
241.04910	0.4
242.05882	0.4
243.06519	8.7
244.07278	4.8
254.05745	0.4
255.06500	5.3
256.07135	0.3
257.04529	1.6
259.09579	2.2
267.02869	1.4
268.03665	2.5
271.06009	1.5
272.06699	2.9
283.05972	6.1
283.09021	0.2
284.03384	0.4
285.03839	1.1
286.04645	0.4
287.09210	0.4
299.05499	5.9
300.06256	31.9
301.06607	0.6
315.08588	100.0
316.08926	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	315.0496
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
55.05501	0.6
56.96547	0.5
60.04516	3.6
65.66372	0.4
67.05486	1.1
68.75716	0.4
68.99778	1.6
69.07063	0.6
70.28836	2.0
79.05469	0.8
81.03379	0.4
81.07028	0.9
83.04956	0.5
85.02888	0.5
91.05470	0.8
93.07008	1.1
93.52944	0.4
95.08587	1.1
105.07023	0.7
107.08581	0.4
109.10182	0.4
115.05441	0.6
119.08602	0.5
121.10193	0.4
123.04427	0.6
131.01245	1.7
131.04883	0.5
137.05974	0.6
145.10091	0.5
149.02303	0.6
153.01826	1.2
153.05531	0.7
155.04890	0.6
160.05147	0.8
163.03969	0.5
171.04333	1.1
175.03989	0.6
187.03813	0.9
188.04649	0.8
193.01292	0.7
199.03885	1.5
200.04741	0.5
202.02560	1.2
203.03285	0.6
211.04073	0.4
215.03445	2.1
216.04160	5.1
216.57294	0.4
226.53191	0.4
227.03381	3.6
228.04114	0.9
243.02988	0.8
243.06407	0.5
244.03677	27.0
245.04187	0.6
255.02863	10.2
256.03342	0.6
259.06018	4.8
271.02322	4.9
272.03149	6.3
283.02359	58.2
284.02835	3.6
287.05444	10.0
300.02649	19.8
300.05756	0.9
301.02905	0.7
315.04962	100.0
315.08182	5.2
315.27158	0.5
316.05307	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	315.0495
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
52.79040	0.5
55.01869	0.7
55.05495	1.0
56.96552	0.8
62.71480	0.5
65.03927	0.7
67.01852	1.3
67.05488	1.4
68.05846	0.6
68.99778	4.1
69.03411	1.4
69.07047	0.7
71.57622	0.9
79.05444	0.6
81.07046	1.7
85.02891	0.5
85.06473	0.5
91.05476	1.3
93.07038	1.3
95.04953	0.8
95.08618	1.4
98.97581	0.9
103.05456	0.7
105.03395	3.7
105.07026	1.6
107.04899	0.5
107.08571	0.8
109.10175	0.5
111.04443	0.8
115.05423	0.6
117.07014	2.1
119.08575	1.1
121.02872	1.7
121.06457	0.7
121.10143	1.1
123.00909	0.5
123.04441	0.5
125.06048	0.6
128.06210	0.7
128.70993	0.5
129.06935	0.7
131.04919	1.2
133.02859	3.0
133.06430	0.5
134.99638	1.0
135.04399	0.6
135.08066	0.7
136.06183	4.4
137.02306	3.1
137.06509	2.2
138.03078	0.6
145.06502	2.2
145.10126	0.6
147.04442	0.8
147.11691	0.6
148.05179	0.6
149.02383	0.7
149.05954	0.5
151.03902	8.1
151.07529	0.5
153.01823	29.5
153.05438	5.6
155.04907	1.5
157.06519	1.4
159.11650	1.0
161.05989	1.6
162.03130	1.4
163.03830	0.5
164.07021	0.6
165.01878	0.6
167.03410	1.5
171.02911	0.9
171.04402	1.0
173.05936	2.8
175.04027	1.1
183.04420	1.7
185.05936	0.9
187.03909	2.0
189.01855	2.8
189.05441	1.0
190.02699	0.6
191.03398	0.5
201.05496	4.0
203.03505	0.8
209.03973	1.8
212.04723	0.7
213.05360	2.7
215.03380	2.6
217.04950	3.9
223.02319	1.6
223.11105	0.5
227.07051	0.6
229.04950	55.9
230.05305	0.7
234.03838	0.5
239.03398	2.0
240.04135	0.6
241.04800	1.1
243.02950	1.5
243.06592	0.9
245.04335	0.6
255.06567	1.1
257.04440	35.2
258.04889	1.0
259.06021	1.1
259.09683	0.5
269.22565	0.9
272.06866	0.5
283.02679	0.9
283.05576	0.7
283.09546	0.9
285.03909	13.0
286.04462	0.6
287.05487	2.4
287.08838	0.9
297.03946	0.6
300.06140	2.5
315.04996	100.0
315.08533	11.9
315.19879	1.7
315.23306	0.9
316.05380	3.2
316.08826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91756	0.3
55.05505	1.8
57.03434	0.4
57.07078	0.3
67.05498	6.1
69.03437	0.4
69.07053	1.0
70.77103	0.5
70.77485	0.5
70.91122	0.3
73.64725	0.3
79.05486	1.5
81.07053	6.5
83.08613	0.5
91.05469	1.7
92.83327	0.4
93.07034	2.1
94.04038	1.5
95.04955	1.2
95.08601	7.9
97.06541	0.4
105.07022	1.8
107.08598	1.0
109.06503	1.5
109.10139	3.4
119.03578	2.3
119.08546	1.6
121.10132	0.8
123.08058	0.4
133.10127	0.7
135.11670	0.4
136.06177	100.0
137.04579	3.2
137.09634	0.4
151.14815	2.2
161.13266	1.7
162.07741	0.7
167.03433	0.5
179.14308	6.1
190.10873	0.5
216.73988	0.4
287.05490	0.5
300.06171	0.8
314.19708	22.8
315.04962	1.0
315.08560	1.5
315.12061	0.5
315.20102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42990	0.4
55.01853	0.5
55.05501	0.7
57.03419	0.5
57.07074	22.5
58.06602	3.5
59.08382	0.6
62.06073	1.4
67.05489	1.8
70.06595	3.0
70.28190	2.0
71.08604	1.9
72.04501	1.3
72.08150	3.2
72.90435	0.4
81.07030	1.3
84.08130	1.4
86.06054	2.6
93.07028	0.7
96.08152	0.6
98.21383	0.6
101.02375	0.5
103.11052	0.5
105.07044	0.7
109.06501	1.7
109.10133	3.1
109.22250	0.6
111.08076	0.8
112.11227	1.4
114.09164	8.4
116.10695	1.8
119.43921	0.5
122.74599	0.4
124.16779	0.4
127.11190	21.0
131.11827	0.6
137.05930	0.9
143.10641	1.7
143.11717	0.9
152.10712	0.6
170.11740	0.9
171.14883	1.8
180.10202	0.6
184.16960	100.0
185.17282	1.7
188.17523	0.7
198.11244	10.6
199.11479	0.6
216.12300	8.4
255.24156	0.6
266.92316	0.5
283.09573	0.5
296.26761	1.6
297.25467	2.5
299.32642	0.5
312.28040	0.5
314.27994	68.0
315.11990	0.5
315.28391	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	314.1961
Annotation	Ilamine
Peak:m/z	Relative Intensity
51.19676	0.5
54.52118	0.5
55.01887	1.3
55.05497	1.8
56.96539	0.5
57.03435	0.8
67.05503	3.6
68.05025	2.9
69.03405	1.0
69.05820	3.7
69.07060	1.4
70.06590	54.1
71.05000	5.2
71.30710	0.7
71.31031	0.9
79.05505	3.6
80.05008	0.9
81.03389	0.7
81.07059	2.8
82.06577	1.9
83.04958	2.5
83.07352	5.4
83.08595	1.2
84.08158	2.8
85.06561	0.6
86.06056	1.8
86.09686	0.7
86.21953	0.5
87.04458	0.5
91.05463	1.0
93.07039	2.7
95.04944	1.3
95.08588	1.6
96.08118	1.4
97.06531	1.0
97.08896	0.6
98.06057	4.0
99.04453	0.8
102.05556	0.7
105.07058	3.2
107.04948	1.0
107.08581	1.4
109.10104	1.0
111.04430	2.2
111.08060	0.8
116.98614	0.5
117.06960	0.8
119.08556	1.3
121.10126	2.5
123.04410	0.7
124.07576	1.2
125.05975	0.6
131.08585	1.0
133.10085	0.6
135.07965	0.7
135.11700	1.3
137.05971	1.7
140.07019	1.0
142.08641	2.0
145.10146	1.1
147.11678	1.6
153.12712	1.1
163.11140	1.6
175.11151	1.5
181.12254	1.2
191.10686	1.0
193.12358	1.1
226.18024	2.6
227.12959	1.1
236.16440	4.8
254.17505	58.3
255.17868	1.8
260.16574	0.8
278.17508	1.6
296.18549	6.9
314.19598	100.0
315.08609	3.0
315.12207	1.1
315.20053	4.3
323.12683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03622	0.6
50.89803	0.7
53.03945	1.6
55.01866	4.3
55.05262	1.0
55.05509	13.6
56.05034	10.6
57.03433	1.9
58.06592	0.9
61.76670	0.6
62.28456	0.7
65.03930	0.8
67.05499	17.4
68.05021	2.1
69.03427	11.2
69.07056	6.5
70.02952	0.6
70.06580	7.4
71.04992	6.5
71.09866	1.8
72.04503	2.8
72.08144	1.5
74.06078	0.9
79.05064	1.5
79.05490	17.6
80.05003	3.6
81.03413	10.2
81.07051	30.2
82.06585	3.7
83.04974	8.2
83.08612	7.6
84.04502	15.2
84.04977	0.4
84.08150	6.1
85.02913	3.9
85.06529	2.5
86.06062	60.8
86.09695	1.5
87.04464	47.4
91.05472	11.1
93.07038	17.0
94.06574	3.4
95.04977	5.1
95.08603	14.7
96.08121	7.5
97.06528	13.2
97.10178	3.5
98.06048	12.5
98.09675	1.1
99.08096	1.0
99.42345	0.6
100.11242	2.0
102.05540	8.5
104.07095	10.0
105.07027	9.1
107.04932	1.2
107.08587	9.7
108.08096	2.0
109.06497	1.9
109.10107	1.7
110.06023	2.5
110.07191	1.1
110.09636	1.6
111.08063	2.6
112.07608	15.2
113.05994	0.8
114.05478	0.9
114.09167	2.3
117.07004	2.5
119.08562	6.5
120.08121	5.5
121.06515	1.9
121.10123	6.8
123.08093	2.1
123.11681	2.1
124.07568	7.5
125.09605	2.0
126.09145	2.4
129.07001	2.1
130.08601	1.1
131.08565	7.1
132.08055	0.8
133.10124	4.4
135.08022	1.1
135.11690	2.8
136.07579	1.2
137.13223	0.8
138.09102	2.5
138.12756	2.0
140.07040	2.9
142.08632	8.0
145.10118	1.0
147.08043	1.8
147.11696	8.0
148.07545	2.5
148.11154	0.9
149.09608	21.9
149.13257	2.8
151.11128	0.8
152.06999	1.1
156.10205	2.9
156.13771	0.7
157.10130	3.8
158.08162	7.3
159.11708	2.4
164.10638	0.8
165.12787	3.9
166.12277	3.0
175.11186	6.0
177.12732	3.5
182.15375	5.4
184.13281	4.2
192.13774	1.7
193.12241	13.8
194.15408	2.1
195.13777	5.6
200.16461	1.1
210.14870	15.0
210.16719	1.2
211.13277	14.7
212.16461	4.7
213.14893	2.7
214.49074	0.8
224.16536	0.9
228.15874	6.1
230.17497	2.1
232.13208	0.9
250.17987	4.0
260.16452	6.1
268.19125	3.0
270.16965	19.2
270.19696	1.2
278.17526	12.5
286.16357	1.3
286.20093	2.2
290.09280	0.7
296.18515	8.0
314.19598	100.0
315.19910	3.1
325.32913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.01873	6.5
55.05492	26.8
57.03439	7.5
57.07055	14.5
60.04502	7.3
67.05502	46.2
69.07076	41.1
70.47881	21.6
71.04967	7.4
71.08596	7.7
79.05499	31.6
81.07053	58.1
83.04967	11.7
83.08596	24.3
85.34463	5.9
91.05479	25.7
93.07043	54.3
95.04951	9.4
95.08605	100.0
97.10181	11.2
99.08047	5.8
102.05531	12.0
105.07042	30.4
107.08576	18.2
109.10156	19.7
111.08051	11.1
113.09632	22.1
117.07050	6.2
119.08574	18.5
121.10120	30.8
123.08096	6.6
123.11721	9.5
125.09664	6.9
129.06990	11.1
133.10136	14.3
135.04431	6.6
135.11723	12.9
145.10100	10.2
147.04356	6.0
147.11635	16.1
148.06059	14.5
149.13261	14.1
161.13234	6.9
203.12720	5.9
207.13829	5.4
211.12360	6.7
232.49205	5.7
240.04164	14.3
244.33995	6.8
255.06537	12.1
277.21542	38.3
283.05908	8.3
313.07071	85.7
313.10504	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.0
57.01678	1.0
57.03161	1.0
57.03436	25.0
57.07075	84.0
64.17771	0.8
67.05177	1.2
67.05504	13.8
69.07066	13.2
69.92861	0.9
69.93172	5.6
71.04975	1.4
71.08630	50.2
75.04486	1.2
79.05482	2.4
81.07053	22.1
83.08615	16.5
85.06548	1.5
85.10178	28.0
87.04436	1.2
89.06028	5.4
90.74748	1.0
93.07044	1.3
95.08604	32.2
97.06529	1.2
97.10173	8.2
99.11715	2.3
101.70788	0.9
103.07562	2.7
109.10148	12.1
111.11706	2.0
114.32799	0.8
117.09135	1.0
123.11697	4.2
137.13226	2.8
151.97643	1.0
160.24983	1.0
161.36389	1.0
164.21069	1.1
239.23672	4.7
257.24738	8.0
264.35602	1.0
313.27356	100.0
314.27863	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	313.2159
Annotation	Longithorone K
Peak:m/z	Relative Intensity
55.05495	22.3
57.03419	9.0
57.07056	14.5
67.05492	36.2
69.03416	10.1
69.07048	18.5
71.08605	6.5
71.58064	10.3
73.13622	5.9
79.05475	25.3
81.07049	38.9
83.04958	14.2
83.08600	10.7
85.02920	6.6
91.05464	28.2
93.07022	46.8
95.04969	14.5
95.08592	34.4
96.78123	5.2
97.06519	8.6
100.05047	5.2
101.06001	7.0
105.07026	50.4
107.08606	28.4
109.06510	6.4
109.10126	28.8
115.05394	7.0
117.07005	16.2
119.08567	54.6
121.06438	7.0
121.10132	73.3
123.11710	14.6
125.06058	12.9
128.06215	13.4
129.07004	9.2
131.08557	24.8
133.10120	23.3
135.11684	14.3
141.07021	12.2
142.07787	13.9
143.08533	19.6
145.10091	52.3
147.11671	10.8
149.09534	5.9
155.08563	14.4
156.09319	17.2
157.10098	47.7
159.08051	6.6
159.11684	21.2
161.09628	20.7
161.13313	9.0
165.06952	9.5
168.09308	10.6
169.10114	37.5
171.11629	35.5
173.09642	15.6
173.13235	16.6
175.11229	10.4
175.14783	6.8
176.57188	5.5
179.08517	13.4
181.10146	12.1
182.10875	9.4
183.11699	26.2
185.04933	5.9
185.13278	15.5
187.14799	6.2
191.10660	7.7
195.11760	11.9
197.13237	23.9
199.14799	23.8
207.11710	11.2
209.13278	24.3
211.14836	18.3
212.04660	6.0
213.12766	6.4
221.13231	10.4
223.14758	10.2
225.12675	9.9
235.14705	10.4
239.14214	13.1
239.17946	20.4
240.04169	10.9
250.75330	5.8
255.06586	11.9
257.15292	6.9
265.19461	11.4
266.02298	6.2
267.21027	11.3
268.03857	8.1
277.19370	10.0
283.06012	6.1
295.20471	37.5
298.04935	7.2
313.03519	10.7
313.07074	87.4
313.10776	10.6
313.21622	100.0
316.25366	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	313.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	0.7
55.05499	0.3
65.46378	0.2
67.05489	0.8
69.03438	0.3
69.07039	0.3
71.58267	0.5
77.03920	0.6
79.05489	3.2
81.07043	0.6
91.05470	0.5
93.07019	0.9
95.04968	1.8
95.08595	0.8
101.20005	0.3
105.03375	1.8
105.04504	0.5
105.06982	0.3
105.73800	0.3
109.10145	0.4
113.09638	0.2
115.05454	0.4
117.07010	0.3
119.08669	0.4
120.14570	0.3
121.06553	0.4
121.10112	0.8
128.06183	0.7
129.06909	0.3
134.03647	0.8
135.04408	100.0
136.04738	1.4
141.07027	0.3
143.08430	0.3
147.04420	0.3
151.03908	1.9
162.03142	0.5
169.06499	0.5
175.03946	0.7
181.04726	0.3
181.06421	0.4
184.05177	1.1
187.03923	0.9
199.07547	1.3
212.04691	4.0
213.09106	0.4
226.06328	0.7
227.06963	2.5
241.04910	1.2
241.08574	0.7
253.04884	0.4
254.05724	1.3
255.06482	5.0
257.08081	42.4
258.08429	1.3
269.04437	1.7
269.08054	1.0
270.05246	0.9
282.04895	0.5
283.05981	0.7
284.06775	2.9
284.09662	0.4
285.07559	20.7
286.07788	0.8
297.07620	1.3
298.04776	0.3
298.08368	0.6
313.06982	6.1
313.10696	10.2
313.14389	0.6
313.21506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1067
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05506	0.6
64.04972	0.3
69.43579	0.3
70.71114	0.6
70.71439	0.6
73.49412	0.3
81.07060	0.3
83.04984	0.5
85.02888	0.4
85.10154	0.3
91.05428	0.5
93.07027	0.6
95.04957	0.9
95.08602	0.4
98.24393	0.3
105.07024	0.8
107.04932	0.8
108.05735	0.9
110.03680	0.4
111.04430	0.3
115.45036	0.3
118.04129	0.4
119.04930	0.5
121.06487	3.4
121.10119	0.5
123.04383	0.5
125.05943	1.0
132.05695	0.9
133.06482	0.7
137.02312	0.6
148.05199	0.4
151.07492	0.7
153.05566	0.5
153.07013	0.7
154.02588	1.0
166.45256	0.4
169.36411	0.3
171.08038	0.4
181.04980	0.8
181.06467	1.1
182.02087	1.0
182.07199	0.7
183.02843	0.5
183.08092	0.7
196.08801	0.6
197.05951	0.4
198.05260	2.7
199.07562	0.9
211.07539	2.1
213.09123	4.0
214.09950	0.5
224.08310	0.5
226.06187	0.7
226.09859	1.1
227.07062	2.0
228.07764	0.4
237.05487	1.0
239.06984	2.8
240.07854	1.8
241.08575	3.6
242.09323	1.5
252.07903	0.5
253.04977	0.4
254.05719	0.7
254.09425	1.7
255.06496	2.9
257.11713	6.0
265.05066	0.7
268.07239	0.4
269.08069	10.4
270.08737	2.7
280.07251	0.4
281.07935	0.6
283.06000	2.0
284.06711	2.3
297.07547	15.0
298.08295	7.3
313.10663	100.0
314.11005	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	313.0702
Annotation	Acicerone
Peak:m/z	Relative Intensity
67.05475	0.2
67.85861	0.2
68.99789	1.2
69.50039	0.4
69.50453	0.7
69.71734	0.1
69.90108	0.2
89.03918	0.6
91.05470	0.3
95.04964	0.1
96.02084	0.2
97.75091	0.1
105.07040	0.2
108.02026	0.2
108.66696	0.2
111.04408	0.3
115.05422	0.3
117.03336	0.2
124.01567	0.2
128.06213	1.3
129.06961	0.3
135.04379	0.2
137.02328	0.1
139.03885	0.5
139.05411	1.6
141.06979	0.3
143.04936	0.5
144.05704	1.4
145.02835	0.6
145.06490	0.3
146.03639	0.8
147.04333	0.2
149.02350	0.2
151.03867	0.3
153.06996	0.3
155.04924	1.6
155.06076	0.3
156.05678	1.1
157.06479	0.2
159.07961	0.1
162.03152	0.3
163.03888	0.2
167.03581	0.2
167.04909	3.3
168.05605	0.3
169.06554	0.3
170.03639	1.6
171.04431	1.6
171.08011	0.3
183.07799	0.2
184.03720	0.2
184.05164	3.3
185.05922	0.4
186.06746	0.6
187.07585	0.8
189.01854	0.2
190.02574	0.3
195.04378	2.7
196.05118	0.7
197.05957	0.8
199.03864	0.3
199.07545	1.1
209.63876	0.2
211.03915	0.2
212.04666	8.6
213.05295	0.5
214.06296	0.2
223.03894	1.2
224.04921	0.2
225.05312	0.8
227.07004	2.9
239.03494	0.2
240.04155	19.0
241.04630	0.8
242.05702	1.1
251.03261	0.3
253.04907	2.7
254.05568	0.5
255.06496	15.6
256.06732	0.4
257.08054	2.9
268.03641	11.1
269.04141	0.5
270.05191	3.7
271.05890	0.2
281.04443	0.3
282.04968	0.2
283.05988	14.2
284.06479	0.5
285.07568	0.5
298.04694	9.5
299.05023	0.5
313.07019	100.0
314.07379	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	313.0703
Annotation	Acicerone
Peak:m/z	Relative Intensity
64.69511	0.1
68.99785	1.2
70.91284	0.3
70.91598	0.2
79.05521	0.2
89.03940	0.4
89.29116	0.1
96.24805	0.1
111.04423	0.4
115.05362	0.1
117.03387	0.3
122.65718	0.1
125.44050	0.1
128.06198	1.1
129.07088	0.1
135.04430	0.2
139.03873	0.6
139.05423	1.5
142.04182	0.2
143.04861	0.4
144.05696	1.6
145.02814	0.4
145.06473	0.3
146.03615	0.8
147.04422	0.3
151.03876	0.3
155.04893	1.6
156.05685	1.2
159.08038	0.5
161.02345	0.3
162.03088	0.3
167.03542	0.3
167.04903	2.7
168.05669	0.4
169.06491	0.3
170.03622	1.4
171.04427	1.7
171.08031	0.3
181.06512	0.3
181.21089	0.2
184.05191	2.5
185.05899	0.5
186.06760	0.6
187.07542	0.7
190.02661	0.2
195.04405	2.6
196.05104	0.6
197.05965	0.5
199.03966	0.3
199.07614	0.8
212.04681	8.2
213.05321	0.5
214.06195	0.3
223.03941	1.1
224.04605	0.3
225.05542	0.6
227.07047	2.6
240.04158	17.7
241.04654	0.8
242.05661	0.7
251.03375	0.6
253.04935	2.9
254.05598	0.5
255.06514	15.2
256.06830	0.5
257.08081	2.9
268.03650	10.6
269.04129	0.6
270.05200	3.5
283.05997	14.0
284.06345	0.5
285.07657	0.6
298.04697	9.2
299.05051	0.4
313.07031	100.0
314.07376	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	312.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05656	1.0
69.38350	4.0
69.38758	0.8
70.06590	2.2
72.08139	0.5
94.06573	2.3
95.25375	0.4
96.12297	0.4
105.89105	0.5
110.06026	1.4
116.07066	0.7
121.62939	0.4
130.09810	0.4
138.05490	100.0
139.05815	1.3
140.11087	0.4
152.68523	0.5
175.11908	4.5
205.28773	0.4
207.68300	0.6
210.83093	0.5
265.76306	0.4
276.60175	0.4
308.54626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0695
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.01864	0.6
55.05495	0.8
57.03424	0.6
57.07054	0.5
57.63762	0.2
59.28906	0.2
61.34652	0.2
67.05512	1.2
68.99782	1.1
69.07048	0.6
69.93198	1.1
71.04945	0.2
79.05472	0.9
81.03384	0.3
81.07052	1.6
83.04982	0.3
83.08130	0.2
83.08606	0.4
85.02888	0.4
85.06514	0.3
89.03909	0.5
91.05466	1.0
93.07024	0.8
95.04942	0.5
95.08598	1.2
97.06525	0.2
97.10142	0.5
105.07017	0.8
107.08559	0.4
108.02045	0.2
109.02883	0.4
109.06521	0.3
109.10136	0.4
111.04425	0.4
115.05490	0.4
115.91425	0.2
117.03366	0.3
119.08575	0.4
121.06532	0.2
121.10144	0.4
125.09620	0.5
128.06190	1.2
129.06984	0.5
131.08559	0.3
132.05643	0.2
133.10054	0.3
134.03656	0.3
135.04333	0.3
137.09564	0.3
139.03857	0.6
139.05423	2.0
141.07085	0.2
142.04010	0.3
143.04877	0.7
144.05692	1.4
145.02847	0.7
145.06508	0.4
145.10045	0.2
146.03604	0.9
147.04384	0.2
147.11633	0.4
147.75984	0.2
151.03845	0.4
151.14684	0.2
153.06990	0.2
155.04907	1.4
156.05701	1.3
159.04474	0.3
159.07999	0.4
167.03522	0.3
167.04904	3.3
168.05661	0.5
169.06416	0.2
170.03568	1.5
171.04381	1.9
171.08005	0.3
171.11694	0.2
181.06387	0.3
183.04350	0.3
184.05164	3.1
185.05934	0.5
186.06764	0.5
187.07539	0.9
189.11198	0.4
190.02592	0.4
195.04379	2.3
196.05205	0.7
196.69844	0.3
197.05939	0.5
199.07565	0.9
212.04672	8.9
213.05400	0.5
223.03876	1.3
224.04688	0.2
225.05495	0.8
227.07019	2.7
240.04161	18.5
240.87022	0.2
241.04793	0.8
242.05664	1.2
251.03656	0.3
253.04958	2.4
253.07521	0.3
254.05789	0.4
255.06514	16.3
256.06808	0.4
257.08054	3.0
258.08435	0.3
268.03653	11.4
269.04202	0.5
270.05225	3.6
282.05246	0.3
283.05997	14.9
284.06418	0.7
285.07605	0.5
298.04706	11.6
299.05164	0.3
313.07034	100.0
314.07373	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	311.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66890	5.0
53.03928	4.3
55.05504	31.7
57.07061	20.3
60.28640	4.5
64.87316	4.0
67.05496	41.6
69.07064	56.8
71.08632	12.6
71.57739	8.1
79.05474	12.9
81.07053	100.0
83.08607	38.8
85.06540	16.5
85.10168	6.4
91.05479	5.3
93.07025	21.6
95.08597	85.3
97.10172	22.7
98.27454	5.1
98.60979	4.9
99.08080	6.0
104.41931	4.4
105.06995	5.7
107.08601	26.0
109.10146	57.3
111.08078	14.0
111.11680	11.4
113.09541	5.1
113.87764	4.6
120.69981	4.2
121.10125	10.8
123.11710	32.4
125.09630	5.4
127.14468	4.7
135.11684	11.3
137.05923	5.6
137.13214	11.7
149.13280	29.7
155.03319	4.5
163.14787	9.0
168.08449	4.5
169.47728	4.5
192.16811	4.7
206.94588	5.0
221.02069	4.6
223.90059	5.0
249.25761	10.4
251.10629	5.7
291.47144	4.3
293.28394	23.7
293.93930	5.5
310.00577	4.8
311.12653	6.6
311.24057	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	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26477	3.3
51.93476	3.3
53.03946	3.8
55.01862	14.8
55.05505	30.2
57.03423	13.4
57.07069	15.8
59.86559	2.9
67.05499	64.7
69.03409	4.6
69.07065	47.6
71.04980	8.3
71.08610	9.7
71.57638	6.0
79.05486	27.3
79.86049	3.0
81.03407	4.3
81.07050	100.0
82.06557	3.7
83.04980	11.3
83.08605	25.9
84.04476	4.9
85.06543	13.2
85.10196	4.5
87.04490	4.7
91.05476	35.7
93.07026	38.2
95.04971	8.3
95.08601	67.3
97.06531	9.7
97.10152	15.7
99.04412	3.4
99.08088	69.8
105.07028	42.4
107.04845	3.7
107.08583	39.9
109.06511	10.1
109.10149	82.7
110.41266	3.2
111.08067	6.2
111.11731	8.6
117.07008	6.3
119.08609	17.8
120.66251	3.9
121.06471	7.7
121.10117	20.4
123.11687	25.0
125.09602	5.9
125.13264	4.2
131.08585	8.3
133.10132	53.8
135.08049	4.4
135.11661	15.2
137.05986	19.2
137.13216	8.2
139.11160	3.3
143.08575	3.5
145.10043	7.6
147.11682	8.3
149.13269	14.2
151.03928	3.0
151.11165	31.9
151.14786	4.2
157.10242	3.6
159.11729	3.9
161.13188	4.5
163.11220	4.8
169.12206	7.4
171.11627	3.8
178.08578	6.5
187.07463	6.1
190.07700	5.7
191.08557	9.0
219.08035	13.8
236.08255	3.4
247.07581	5.0
249.18488	4.8
251.10693	12.7
258.14932	4.7
275.19992	14.1
276.15988	5.0
279.10165	14.2
293.20892	4.6
293.28384	11.1
311.09430	3.9
311.12823	21.8
311.16092	5.7
311.22089	16.3
311.29422	5.2
312.17996	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	311.2943
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
55.05511	28.1
55.42717	2.8
57.07074	19.7
67.05505	45.4
69.07066	70.0
69.23879	25.0
69.24305	9.2
71.08633	6.6
72.40920	2.8
79.05498	23.0
80.73279	3.2
81.07056	100.0
81.07529	5.8
82.07397	3.4
83.04971	3.4
83.08612	33.1
85.06539	18.9
85.10197	3.2
91.05486	10.7
93.07030	21.1
95.04980	6.3
95.08604	93.6
97.10140	17.9
98.21546	6.8
99.08100	11.5
105.07044	7.9
107.08598	23.4
109.10150	50.2
111.08089	12.3
111.11694	14.7
119.08599	5.2
121.10143	13.8
123.11688	22.8
125.09624	3.6
125.13287	3.8
129.07065	3.2
131.08620	5.1
133.10126	3.9
135.11688	8.7
137.05975	8.8
137.13258	12.5
145.10112	7.2
148.56494	3.1
149.13219	17.0
151.14819	8.9
163.14857	7.3
165.16414	3.4
173.13281	3.2
176.63687	2.9
179.17964	4.7
191.08598	3.5
219.07962	4.8
251.10680	5.2
275.20160	9.2
275.27509	4.1
279.10049	4.5
293.28235	14.8
311.12686	5.6
311.20026	5.6
311.29556	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	311.2577
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03942	3.4
55.01864	3.6
55.05510	79.2
57.03434	31.4
57.07076	33.1
62.57046	1.2
67.05504	12.4
69.07066	80.1
69.89715	7.5
70.07407	1.2
71.08629	19.6
73.02907	3.6
79.05496	7.5
79.53008	1.1
81.07044	14.4
83.04970	2.0
83.08618	65.2
85.10181	7.4
85.10590	1.2
91.05465	1.2
93.07033	8.5
95.08614	10.3
97.06525	7.2
97.10163	51.3
107.08601	7.3
109.10143	4.4
111.08053	3.0
111.11723	16.3
113.57301	1.5
118.58281	1.2
121.10132	11.3
123.11698	1.6
125.09576	1.5
125.13266	2.1
135.11687	7.4
135.50935	1.1
139.11177	2.4
149.13223	2.3
184.19522	1.3
209.11617	1.3
219.21048	1.3
257.92612	1.3
311.25784	100.0
312.26166	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	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12682	3.4
55.01878	4.9
55.05509	40.2
57.07079	34.0
59.39999	3.5
63.61164	4.3
65.03944	4.3
67.05505	52.1
69.07067	68.7
69.23867	47.9
69.24203	3.8
71.08625	20.8
76.55271	3.7
79.05479	32.9
81.07059	100.0
83.04964	6.2
83.08617	49.9
85.06550	37.0
85.10202	7.5
91.05479	17.7
93.07036	37.6
95.04994	7.6
95.08603	83.6
97.06527	13.0
97.10170	24.3
99.08100	25.3
105.07021	17.2
106.06551	4.7
107.08598	36.7
108.08130	28.6
109.06483	6.4
109.10149	46.7
110.09687	6.0
111.08096	20.8
111.11710	11.1
117.07076	3.8
119.08588	12.8
121.10146	28.6
122.09686	7.1
123.08039	5.1
123.11713	21.5
125.09624	5.0
126.89335	4.1
129.06996	5.1
131.08578	6.8
133.10109	6.4
135.11705	18.9
137.05972	33.9
137.13248	8.6
139.11159	3.9
145.10123	9.2
147.11708	8.9
149.06035	5.2
149.13298	17.8
150.12793	9.1
151.14803	6.2
157.10085	6.9
159.11674	6.6
163.14732	6.8
164.14342	9.9
165.07867	7.8
166.15916	10.3
187.07553	8.4
190.07841	10.9
191.08629	22.9
201.16245	4.2
208.13361	8.2
210.14914	14.5
219.08029	20.5
219.21155	5.1
223.18083	9.2
223.20323	3.9
247.07478	5.7
249.19756	9.0
250.14380	7.9
251.10693	29.7
256.18051	4.9
264.07965	4.2
267.17023	39.9
269.18668	13.0
279.10104	25.0
293.25046	8.6
293.28378	31.4
311.12659	19.3
311.19574	26.0
312.16995	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01858	4.2
55.05508	77.1
57.03154	1.7
57.03431	27.7
57.07073	32.9
64.94273	1.2
67.05506	12.0
69.07063	71.5
71.02967	2.3
71.03325	2.9
71.08629	19.2
72.41451	1.2
73.02882	2.5
79.05490	8.2
81.07048	16.1
83.04994	2.3
83.08612	65.8
85.10175	9.1
93.07043	7.9
95.08595	11.3
97.06555	6.6
97.10163	48.8
107.08583	4.4
109.10155	2.9
109.27395	1.3
111.08076	3.0
111.11701	12.7
121.10122	7.4
123.11684	1.8
125.09602	1.9
125.13274	4.2
135.11658	7.1
139.11124	1.5
149.13235	1.8
163.14828	1.5
311.25772	100.0
312.26041	2.5
318.58951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71522	1.1
53.03926	2.2
55.01866	3.1
55.05510	86.2
55.63498	1.6
57.03194	2.2
57.03437	28.2
57.06796	1.9
57.07074	35.0
58.55729	1.3
67.05507	12.4
69.07066	88.7
69.53913	13.4
71.08627	22.4
73.02891	2.6
79.05487	9.7
81.07047	13.5
83.04958	3.0
83.08617	72.8
85.10173	10.4
89.06493	1.5
91.05531	1.3
93.07046	8.7
95.08600	9.6
97.06514	6.7
97.10164	55.6
107.08592	6.0
109.10132	5.0
111.08093	3.6
111.11716	14.5
121.10147	8.0
123.11703	3.0
125.09589	2.0
125.13267	2.6
135.11694	8.6
139.11127	2.1
139.14850	1.4
149.13205	4.0
161.19965	1.5
163.14796	2.1
177.26140	1.3
219.21227	3.5
311.25790	100.0
312.26038	4.9
322.37897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03945	2.7
55.01873	2.5
55.05510	85.7
57.03202	2.6
57.03437	34.4
57.06787	2.4
57.07074	37.9
59.04992	2.9
67.05499	31.2
69.07066	93.1
71.08628	24.0
71.57407	4.8
75.16553	2.0
79.05486	21.6
81.07052	34.7
83.04956	6.0
83.08616	82.5
85.06529	2.6
85.10163	7.2
86.12013	1.7
90.18117	2.0
91.05471	11.5
93.07047	21.1
95.04951	5.0
95.08603	27.4
97.06553	11.6
97.10165	54.8
99.08088	2.6
101.46619	1.8
105.07027	8.1
107.08602	14.8
109.10159	13.6
111.04432	6.6
111.08073	6.6
111.11722	12.4
112.25858	2.1
117.07029	2.7
119.08575	5.9
121.10141	19.1
123.07962	2.3
123.11607	4.2
125.09627	6.2
125.13211	3.8
126.93147	2.2
129.09215	2.1
131.08534	4.3
133.10127	6.1
135.11697	14.8
137.13202	2.4
139.11163	2.5
145.10114	4.5
147.11685	4.2
149.09575	3.1
149.13281	4.4
153.05449	3.7
163.11195	2.0
163.14900	3.2
183.16585	1.8
191.10706	2.8
201.16405	2.0
209.11691	16.8
219.21078	2.9
237.11287	11.8
247.20602	2.7
275.20044	7.0
293.21027	20.6
311.25790	100.0
312.26007	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.61744	4.7
55.01889	9.2
55.05518	36.6
57.03424	8.3
57.07061	16.6
65.98436	5.2
67.05505	34.7
67.41018	5.4
69.03395	5.4
69.07072	36.2
69.99489	31.2
79.05485	19.1
81.07054	43.2
83.05001	8.8
83.08628	14.3
91.05470	21.0
93.07038	26.5
95.04958	6.6
95.08607	31.4
97.06517	6.7
97.10147	10.7
97.81691	4.8
105.07032	16.6
107.04954	5.8
107.08572	18.0
109.06535	10.8
109.10139	11.2
111.04426	5.8
111.08079	14.3
117.07000	10.4
119.08575	17.3
121.06475	9.3
121.10152	16.1
131.08553	11.1
133.10089	12.4
135.11607	5.8
145.10080	14.7
147.11667	9.2
148.92920	6.0
151.11134	5.7
160.30611	4.8
178.09055	5.1
209.11763	16.9
237.11143	15.3
257.19119	16.9
275.20090	100.0
293.21057	29.1
301.38431	5.6
311.25809	21.9
321.38754	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.05507	22.8
57.07078	6.8
67.05508	39.2
69.07057	42.2
69.23299	39.8
69.23727	25.0
79.05495	23.9
81.07050	38.5
83.08613	13.9
91.05463	42.2
93.07037	100.0
93.07567	9.7
95.04965	51.9
95.08598	84.5
97.06543	20.5
97.10124	7.1
105.07034	55.6
107.08574	40.2
109.06511	12.7
109.10153	30.4
117.07015	19.4
119.08570	66.3
121.06512	13.8
121.10143	57.0
123.08076	12.8
123.11723	20.1
129.06987	10.0
131.08585	20.7
133.10130	38.1
135.08075	13.3
135.11708	15.8
142.07835	9.6
145.10095	32.9
147.11723	17.7
155.08505	6.5
157.10158	34.7
159.11690	37.0
161.09579	6.2
161.13348	7.6
169.10124	9.8
171.11736	14.0
173.13281	12.3
175.14815	7.0
177.16400	16.9
185.13231	11.9
187.14841	7.2
189.16360	9.7
197.13283	11.0
201.16289	7.5
209.13390	7.1
215.17889	6.4
237.11230	7.4
293.22632	7.6
311.23520	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01876	31.3
55.05503	30.9
57.07068	32.0
66.84383	5.3
67.05501	67.3
69.07069	45.9
71.04998	14.2
79.05493	35.3
81.07048	100.0
83.04980	19.8
83.08624	19.5
91.05482	39.4
93.07038	33.4
95.04416	6.4
95.04918	27.3
95.08598	37.0
97.06533	50.4
97.10194	6.8
99.08102	7.3
105.07034	26.9
107.04953	10.1
107.08601	30.8
107.20896	5.2
107.59588	7.1
109.06554	15.4
109.10148	24.4
111.04462	16.6
111.08096	5.8
116.36512	5.5
117.07027	8.7
119.08610	30.0
121.06496	5.7
121.10164	17.7
123.08047	12.2
123.11741	12.1
125.09644	13.1
131.08598	17.2
133.10120	18.5
135.11710	11.7
137.09656	8.1
145.10088	12.6
147.08051	8.1
147.11710	26.4
149.09581	20.9
149.13165	7.8
153.05502	12.1
159.11649	7.8
163.11151	17.2
165.12646	8.1
173.13144	7.5
177.12782	7.2
187.14827	7.3
191.10687	13.9
209.11691	48.5
209.13310	6.4
229.27197	6.0
237.11255	39.5
255.12273	8.1
275.20074	44.1
285.84430	5.5
293.21017	27.7
311.25595	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	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01860	7.2
55.05501	23.1
56.32855	4.3
57.03437	7.6
57.07072	36.2
67.05502	32.3
69.03423	6.7
69.07064	24.6
70.17644	4.6
71.57827	5.5
71.58274	5.9
74.67481	4.6
79.05490	35.2
81.07060	42.3
83.04979	14.2
83.08629	15.2
91.05468	20.9
93.07043	28.3
95.04990	10.0
95.08597	32.8
97.06542	7.6
97.10149	6.4
103.84694	4.3
105.07002	30.3
107.04945	6.8
107.08596	24.3
109.06552	8.0
109.10143	18.2
111.04440	27.2
111.08059	6.4
117.07050	8.4
119.08524	22.7
121.06511	5.7
121.10143	15.5
123.11708	8.5
125.06013	6.7
125.09615	8.4
125.72520	4.1
129.06966	6.3
131.08574	13.8
133.06499	6.0
133.10126	13.4
135.11690	10.8
137.06003	6.9
143.08528	5.9
145.10109	13.7
147.11681	15.4
149.02306	5.0
149.09604	9.8
151.11200	5.7
153.05469	16.1
157.10107	8.4
159.11693	5.8
163.11182	16.3
172.83212	5.1
173.13245	8.8
181.04898	5.2
181.12308	6.7
191.10611	9.4
193.04964	14.3
198.74960	5.8
209.11697	100.0
209.13574	6.3
210.66306	4.9
237.11194	89.6
255.12358	14.1
257.18900	6.2
275.19986	29.2
293.21078	10.3
311.25446	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.29866	4.8
55.01885	11.6
55.05510	25.1
57.03429	5.6
57.07078	43.3
67.05497	44.3
69.07064	41.5
70.06616	5.3
70.44528	18.7
71.08634	5.1
71.13402	4.4
79.05499	33.2
80.05801	5.9
80.22927	4.7
81.03389	5.4
81.07049	60.6
83.04982	15.8
83.08630	25.0
85.06553	7.2
90.51179	4.8
91.05481	30.8
93.07045	37.6
95.04963	22.6
95.08595	30.2
97.06546	12.9
97.10165	10.4
98.26533	4.7
99.04385	5.3
105.07021	25.7
105.28874	4.6
107.05002	8.2
107.08592	29.4
109.06536	9.6
109.10151	26.2
111.04443	27.0
111.08051	11.1
117.07016	8.4
117.37750	5.0
119.08589	29.9
121.06497	7.5
121.10131	20.9
123.08056	5.8
123.11699	8.4
125.05972	5.9
125.09626	7.1
131.08560	15.6
133.10120	19.9
135.04358	5.8
135.08031	6.7
135.11682	17.5
137.05989	5.5
145.10146	17.8
147.11723	11.8
149.02318	10.6
149.09633	7.2
153.05501	18.3
155.08522	5.3
157.10114	5.7
159.11693	11.5
163.11203	20.8
169.10101	6.0
174.22905	4.9
174.61084	6.0
181.12231	11.0
187.14764	4.9
191.10623	8.6
193.04967	11.4
209.11731	100.0
217.50580	6.7
223.13300	6.3
237.11201	90.2
255.12283	12.2
257.54791	6.0
275.20084	49.2
293.17947	5.0
293.20667	23.2
311.24692	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.78366	3.3
55.05495	11.6
57.03419	3.3
57.07059	12.2
67.05482	14.5
68.58414	4.4
69.07059	8.5
69.69066	23.4
71.08624	16.2
72.62884	3.1
79.05492	13.8
81.07043	18.2
83.04958	7.4
83.08620	7.0
91.05483	6.0
93.07031	11.0
95.08590	11.8
97.06511	4.9
97.10188	4.7
99.08060	12.1
104.55180	3.4
105.07025	8.0
107.04942	7.4
107.08577	12.1
107.55387	3.4
109.06522	3.5
109.10151	10.1
111.04435	7.6
119.08567	5.0
121.10127	4.1
123.83120	3.6
125.09670	5.0
135.02184	3.5
137.87059	3.8
145.10135	4.1
153.05443	8.4
159.11511	3.8
159.88550	3.2
165.02867	4.0
165.12706	5.3
191.10686	7.9
209.11729	42.6
237.11211	27.9
275.20074	9.7
293.21033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.71431	0.8
55.01868	2.3
55.05505	12.5
56.39916	1.0
57.07073	4.3
59.05006	0.9
67.05499	8.9
67.47121	0.8
69.03426	2.0
69.07074	4.7
71.08635	10.9
73.98957	0.9
79.05488	6.6
81.03427	1.7
81.07056	7.1
83.04980	2.7
83.08631	7.4
84.05201	1.0
91.05487	3.7
93.07053	4.1
95.04942	2.2
95.08624	4.5
97.06519	1.5
97.10177	11.2
99.08088	6.6
105.07044	2.5
105.23683	0.9
107.04961	2.4
107.08610	4.6
108.05740	1.3
108.16790	0.8
109.06526	2.4
109.10126	1.6
111.04454	4.1
111.08076	1.2
114.44642	0.9
117.07014	1.7
119.08591	1.3
121.06509	6.5
121.10143	2.7
125.05969	1.1
125.09638	7.4
128.06232	0.9
131.08549	2.5
135.08080	1.1
143.08557	1.2
149.09610	1.3
151.11192	1.0
153.05478	2.6
159.11690	1.6
163.11093	1.4
164.11946	1.3
177.12717	1.6
185.13232	1.0
189.11244	3.5
191.10658	2.1
201.12674	1.0
209.11729	14.5
232.64609	0.9
237.11203	10.2
238.19798	0.9
255.12296	1.9
275.20062	4.6
293.21097	100.0
294.21527	2.0
294.80295	1.0
311.23459	2.1
312.22852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.85492	1.4
53.03938	4.1
53.46358	1.5
55.01876	16.8
55.05511	46.8
57.03436	4.1
57.07074	30.3
65.03949	2.5
67.05505	31.6
68.99802	1.5
69.03432	4.5
69.07075	16.9
70.71288	4.3
71.04996	3.1
71.08606	2.8
79.05492	28.8
81.03403	7.8
81.07053	25.7
83.04977	33.2
83.08620	29.6
85.02918	5.7
85.06541	2.9
91.05492	15.5
93.07049	31.0
95.04969	61.1
95.08607	17.2
97.02854	1.7
97.06535	8.1
97.10163	18.3
99.04448	6.0
99.70220	1.4
100.07654	1.5
105.07034	17.7
107.04961	13.6
107.08595	35.7
109.02876	4.1
109.05884	1.5
109.06499	6.8
109.10165	9.5
111.04438	49.1
111.08092	10.6
115.05375	1.5
117.07030	6.0
119.08595	15.2
121.06511	4.7
121.10136	20.0
123.08099	4.7
123.11740	2.4
125.06018	9.1
125.09626	20.9
127.07580	1.4
129.07008	2.7
131.08571	12.0
133.10112	8.4
135.04457	3.8
135.08095	4.6
135.11705	10.2
137.09641	2.8
139.11186	2.7
141.91995	1.4
143.08589	1.6
143.10744	1.5
145.10156	17.8
147.08038	3.3
147.11732	7.3
149.09618	32.0
153.05482	16.0
153.09129	2.9
153.12718	7.6
157.10118	2.0
159.11667	8.0
161.09610	1.6
161.13228	2.4
163.11171	34.2
169.10107	2.1
171.10184	1.6
171.11670	2.3
173.09634	3.7
173.11737	1.7
175.11220	1.8
177.12778	3.9
181.05013	4.6
181.12265	15.1
187.11169	3.7
189.11209	19.4
191.10648	19.9
193.08771	1.5
193.12270	2.1
205.12209	8.4
209.11732	100.0
210.12106	2.1
211.13165	2.2
223.13295	55.8
224.13707	2.1
227.12802	3.2
229.19548	2.7
237.11212	78.4
237.14897	3.4
238.11559	2.5
239.17940	3.5
255.12251	11.2
257.19061	8.6
275.20041	61.2
276.20490	2.5
293.17825	3.3
293.21078	47.8
311.18848	2.6
311.22247	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.38942	5.0
50.95760	5.6
53.03945	6.6
53.72121	6.0
55.01857	15.7
55.05504	51.2
57.03439	8.1
57.07067	22.4
57.38883	5.1
60.94667	5.6
64.78699	5.7
67.05498	73.9
69.03430	6.4
69.07066	67.5
69.81863	37.5
71.04967	6.8
71.08607	10.0
79.05486	47.8
81.07050	100.0
83.04969	16.3
83.08607	48.5
85.06561	7.9
91.05479	45.2
93.07033	54.6
95.04987	17.6
95.08598	94.4
96.09002	6.3
97.06541	13.6
97.10174	22.5
99.08096	11.9
105.07022	37.2
107.04982	11.7
107.08598	46.9
109.06499	12.7
109.10156	41.4
111.08077	12.4
111.11710	9.0
117.07066	7.7
119.08562	38.0
121.10130	27.0
122.10523	5.5
123.08070	6.4
123.11699	13.8
125.09645	18.8
131.08574	20.1
133.10130	17.6
135.08014	11.2
135.11699	19.2
137.05960	24.9
137.09666	7.1
137.13268	11.0
143.08586	9.3
144.07027	6.3
145.10120	19.2
147.11652	18.3
149.09605	12.5
149.13235	9.0
157.10123	9.8
159.11707	18.0
161.13257	9.8
163.11188	12.3
169.10147	5.2
171.11623	6.7
173.11858	6.3
173.13274	14.1
177.12726	7.8
179.14040	5.4
187.07469	7.1
191.08534	15.5
218.07129	6.2
219.08070	13.9
247.07646	8.0
251.10571	11.5
257.19034	13.1
265.19464	6.7
275.20065	61.6
279.10034	12.8
293.20944	13.2
293.28198	8.9
311.12823	13.5
311.19626	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	311.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.7
55.01863	3.3
55.05505	12.8
57.03433	9.7
57.07067	2.8
65.03958	1.9
67.05502	64.2
69.03409	3.3
69.07072	8.8
69.53908	7.9
69.54315	2.8
70.02946	2.2
71.04991	6.8
74.02436	15.7
79.05492	35.7
80.93792	1.4
81.03407	3.4
81.07053	49.7
82.07346	2.2
82.23606	1.4
83.04962	4.5
83.08610	3.5
85.02892	2.7
85.06547	2.5
87.05089	1.5
87.05592	40.2
88.03988	6.4
91.05481	18.7
93.07043	30.8
95.04964	14.5
95.08603	100.0
96.08936	2.9
97.06502	2.2
105.07027	22.6
107.04935	14.8
107.08585	23.3
108.08133	2.1
109.06514	9.1
109.10154	50.2
111.08122	1.9
116.03461	7.8
117.07018	3.3
119.08575	27.3
121.06532	2.1
121.10147	12.2
122.03622	3.3
123.08107	7.6
123.11681	4.0
125.09596	1.6
129.06992	2.1
131.08495	1.9
132.96709	1.5
133.06082	89.8
133.10138	7.0
135.11697	10.6
137.05971	23.4
137.09602	10.4
145.10127	1.7
147.11720	1.8
149.13243	12.9
149.71512	1.6
151.14807	27.6
157.21597	1.4
159.07994	2.3
161.05984	2.3
161.13245	14.0
179.14299	24.0
187.03818	2.2
187.07565	6.9
189.07027	1.9
190.07706	6.1
190.15930	1.7
191.08574	9.9
195.07623	2.4
207.08051	2.6
208.08861	2.1
208.13303	2.2
213.12283	3.0
218.07271	3.8
219.08028	16.3
220.08701	1.5
235.07625	2.0
236.08229	1.7
246.06555	1.4
247.07520	7.0
248.08173	1.5
251.10652	19.8
252.10867	2.5
252.15945	6.1
264.07651	1.8
265.08557	3.2
267.17007	3.1
279.10141	14.9
280.10699	3.2
281.08011	2.3
283.13049	1.6
293.18555	4.1
296.10272	3.2
311.12714	16.1
311.19629	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.53491	1.5
55.01870	3.2
55.05513	14.5
57.03431	7.6
57.07070	3.2
57.35614	1.8
67.05502	62.9
68.05830	1.6
69.03427	3.1
69.07071	11.0
69.99053	10.0
70.02962	1.6
70.06599	1.7
71.05000	5.1
72.04508	2.2
74.02446	16.0
79.05490	30.6
80.05006	3.3
81.07051	55.5
82.85630	1.6
83.04977	6.0
83.08607	4.8
85.06515	2.0
87.05585	37.2
88.03988	7.5
91.05482	21.1
93.07039	35.9
93.15414	1.9
93.79360	2.0
95.04977	9.9
95.08604	100.0
97.06535	2.8
98.09656	2.2
103.05436	2.7
105.07031	19.2
107.04935	3.9
107.08595	18.3
108.08116	34.6
109.06498	8.8
109.10153	46.8
110.09689	2.0
116.03452	7.7
117.07030	3.6
119.08571	28.0
121.06487	2.4
121.08855	2.8
121.10176	9.7
122.09669	4.9
123.08080	6.0
123.11684	3.0
131.08543	2.5
133.06081	71.3
133.10118	8.3
135.11668	13.9
136.11220	3.5
137.05963	12.1
137.09648	10.1
137.13243	8.3
143.04500	1.9
145.10141	2.4
148.11182	2.0
149.13251	4.6
150.12733	8.4
151.11150	2.0
151.13632	3.0
151.14810	24.8
152.14313	5.2
159.11642	2.2
161.13225	11.4
164.14360	14.2
165.07869	7.3
166.15947	2.4
178.15926	5.0
179.14276	17.7
187.07603	2.6
190.07809	2.4
191.08603	6.0
195.07826	1.8
208.13390	11.6
210.14926	4.5
219.08098	6.7
223.18086	5.7
235.07594	1.9
249.19604	2.0
250.14484	6.4
251.10658	9.9
252.16057	3.9
265.19174	3.7
267.17041	46.8
270.08832	2.4
279.07227	2.7
279.10165	12.7
293.18604	17.0
311.05402	1.9
311.09402	2.5
311.12921	9.8
311.15967	3.2
311.19684	52.8
311.23401	3.1
319.10513	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	311.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
57.07043	1.1
62.82849	0.8
65.17988	1.0
67.05507	2.0
69.07051	2.1
70.02947	1.1
70.06583	0.9
70.88103	1.8
71.04974	1.0
72.04517	8.1
74.02419	1.1
74.06681	0.9
79.05486	3.0
80.05002	4.1
81.07059	1.6
82.06562	1.4
84.55511	1.0
87.05576	1.7
88.03994	1.1
91.05479	2.1
93.05781	2.2
93.07031	9.1
94.06563	1.7
95.08604	5.0
96.08126	1.3
97.04024	5.3
98.09703	1.2
105.07007	4.2
106.06515	1.5
107.08572	4.2
108.08110	77.2
109.10181	1.4
110.09674	1.1
119.08572	2.5
121.08884	8.1
122.09647	10.9
123.11692	1.2
124.07646	1.4
133.10106	3.7
134.09647	4.2
135.10538	1.9
135.11682	11.4
136.11232	6.4
137.05969	2.4
137.13235	1.7
143.04517	8.8
148.11147	1.9
150.12782	20.6
151.08638	1.3
151.13541	5.5
151.14615	1.1
152.14352	3.9
161.13255	3.2
162.12766	2.8
164.14346	28.5
165.07834	20.1
166.08606	1.5
166.15932	1.3
176.14340	1.1
178.05006	1.1
178.15834	5.5
179.14323	1.6
190.12292	3.0
191.08578	1.2
193.13426	1.2
195.07671	3.8
196.16980	1.6
206.15495	1.7
208.13307	27.1
208.16507	1.2
210.14897	3.3
221.16458	6.3
223.18045	15.1
244.39963	1.1
249.15939	3.7
250.14371	15.8
265.19037	1.6
267.17010	100.0
268.17310	2.2
269.18631	1.8
279.10132	1.5
288.28729	1.0
293.18518	2.7
294.16821	2.8
311.19626	91.0
312.19904	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
56.05013	0.5
63.69347	0.4
67.05481	1.1
69.07041	1.3
70.06575	0.8
70.63181	1.5
72.04510	2.6
72.04823	0.5
79.05489	3.3
80.05021	1.0
81.07029	2.0
81.78136	0.4
82.06587	1.0
82.55876	0.4
83.08608	0.5
83.96488	0.5
84.08142	0.5
87.05561	1.3
91.05446	1.8
93.05785	0.9
93.06555	0.6
93.07039	5.5
94.06541	1.2
95.04942	0.6
95.08579	1.7
96.08083	0.5
105.07001	1.6
106.06494	0.8
107.08609	2.4
108.08113	57.2
109.08369	0.6
109.10150	0.9
110.09639	1.2
119.08540	1.3
120.08077	1.1
121.08865	3.9
121.10144	0.9
122.09669	7.4
122.34843	0.4
123.10455	1.0
123.11647	0.7
124.07582	0.9
131.08543	0.5
133.10086	1.1
134.09654	2.9
135.10481	0.9
135.11688	7.3
136.11220	4.0
137.05992	3.5
137.13229	0.8
141.10201	1.2
148.07521	0.6
149.11931	0.9
150.12776	17.5
151.08630	0.6
151.13564	4.2
152.14395	2.4
153.12708	0.4
161.02858	0.5
161.13235	0.8
162.12720	2.4
164.14343	22.5
165.07848	17.6
166.08582	1.6
166.15891	1.7
178.15887	2.2
179.09375	1.0
179.11786	1.3
179.14246	0.6
180.13849	0.5
187.07509	1.4
190.12248	1.5
191.08548	0.8
193.13429	0.5
206.15396	2.0
208.13327	22.4
208.16843	1.5
209.13629	0.6
210.14911	3.8
213.12204	0.7
219.07968	1.2
221.16533	3.2
222.14836	0.6
223.18028	8.7
249.15942	2.1
249.19641	0.9
250.14371	9.4
251.10664	1.0
252.15929	1.3
261.09155	0.6
267.17023	100.0
268.17383	3.3
269.18488	2.7
279.10123	1.6
293.18707	1.0
293.72098	0.5
294.16934	1.1
296.10434	0.7
311.12796	1.5
311.19641	35.2
312.19928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59721	1.1
52.83205	1.0
55.05493	2.4
56.53773	1.2
67.05492	2.1
69.07055	2.1
70.63491	1.8
72.04496	4.7
74.78664	1.0
79.05471	4.5
80.05011	3.1
81.07050	3.0
82.06567	2.0
87.05569	2.8
91.05474	1.7
93.07039	7.4
95.08592	3.5
97.10256	1.0
105.07018	2.5
107.08598	4.9
108.08114	72.6
110.09663	3.1
119.08568	1.8
120.08133	1.7
121.08878	7.6
122.09680	11.1
124.07578	1.2
133.10121	2.0
134.09662	4.7
135.10500	2.2
135.11671	11.9
136.11203	4.6
141.10136	1.8
150.12776	24.3
151.13516	4.9
152.14325	5.4
161.13234	1.3
162.12741	3.8
164.14336	31.9
165.07849	21.7
166.08621	2.0
166.15915	3.3
178.15895	3.1
179.11794	1.4
190.12222	3.4
206.15385	2.3
208.13319	30.7
210.14902	7.4
213.12352	2.5
221.16544	5.5
223.18037	14.1
249.15839	2.2
249.19626	1.6
250.14378	14.2
252.15843	1.2
267.17029	100.0
268.17383	3.0
269.18588	4.9
281.88055	1.1
293.18604	2.5
294.16956	2.5
311.19614	48.9
312.20044	1.5
316.26968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68651	1.3
55.01858	1.5
56.41197	1.3
62.00647	1.3
67.05498	2.7
69.07059	2.9
70.06574	6.0
71.01277	2.1
71.01614	1.7
74.05468	1.3
79.05479	4.4
81.03399	1.3
81.07057	4.6
86.09719	1.5
91.05474	7.6
94.04170	4.7
95.04951	2.9
95.08611	2.3
103.05438	3.0
105.07028	8.2
105.23886	1.4
106.60756	1.4
107.04943	3.7
107.08582	1.3
109.06515	7.6
109.10215	1.4
115.05450	3.2
116.06239	2.6
119.04951	2.3
119.08628	1.4
120.08114	3.6
121.06508	2.8
121.10094	1.6
122.03619	13.0
128.06255	2.8
129.07001	5.7
131.08577	1.5
133.06438	5.4
137.05966	100.0
138.06297	1.5
144.05721	5.0
145.06499	3.1
145.10133	1.6
147.08017	1.8
149.05940	4.9
155.04942	7.2
156.05678	1.9
159.08063	11.3
161.05983	16.6
165.07018	5.7
172.05141	4.1
175.07581	5.0
187.07538	27.8
189.07013	8.9
189.08766	1.6
190.07765	30.4
191.08542	60.5
192.08916	2.0
201.06943	1.7
202.07788	3.2
203.08629	2.3
205.06433	4.1
207.07994	7.8
208.08856	7.8
218.07236	17.6
219.08035	78.5
220.08757	8.9
221.06006	3.4
225.09027	2.7
233.09631	2.5
235.07516	9.7
236.08322	17.4
237.09004	2.7
240.07774	1.9
246.06767	2.9
247.07520	26.1
248.08189	4.4
251.10664	89.8
252.11133	2.6
253.08659	6.6
261.09134	4.4
263.07040	2.5
264.07767	9.4
265.08615	2.8
279.10132	62.1
280.07800	1.7
280.10822	6.4
281.08170	9.6
283.13449	1.6
296.10352	11.8
311.12762	49.3
328.64316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05498	2.7
57.31669	0.8
59.00483	1.0
65.03922	1.6
66.95599	1.0
67.05482	3.2
69.03415	1.7
69.07059	1.5
71.57682	1.4
79.05490	6.3
81.03378	1.8
81.07042	4.0
82.74243	1.0
83.04976	1.2
91.05459	7.1
93.07027	3.5
94.04178	6.1
95.04955	3.5
95.08583	2.6
97.06506	1.1
100.11279	1.4
103.05457	2.9
105.07025	11.6
107.04954	4.2
107.08579	4.3
108.08090	3.1
109.06508	7.8
109.10130	1.8
115.05442	4.2
116.06245	1.4
117.07030	2.5
119.08568	2.3
121.06499	3.0
121.10132	2.6
122.03636	12.7
128.06213	2.2
129.07005	4.5
130.04102	1.0
131.04909	2.7
131.08496	2.5
133.06482	8.4
133.10117	0.9
135.04425	1.4
135.08073	1.2
135.11679	1.7
137.05971	100.0
138.06285	1.3
143.04582	1.5
144.05678	4.2
145.06474	2.2
145.10101	1.6
149.05946	6.1
151.03879	1.3
151.07542	2.4
155.04861	6.6
159.08057	7.3
161.05983	13.6
163.03938	1.0
164.14362	1.7
165.06973	5.2
167.07001	1.7
172.05176	3.2
175.07544	3.5
179.08516	1.5
180.09288	1.4
181.06573	0.9
181.10056	1.1
184.53229	0.9
187.07536	33.0
188.08012	1.9
189.06990	7.9
189.08644	1.3
190.07771	29.3
190.09505	1.7
191.08540	57.2
192.08940	2.0
193.06471	1.2
202.07765	2.5
203.08453	2.1
205.06482	4.6
205.10162	1.4
206.07063	1.2
207.08060	8.3
208.08844	9.0
209.09593	1.1
218.07260	18.5
219.08035	74.6
220.08797	9.3
221.05931	3.2
221.09520	1.8
223.11110	2.0
225.09058	1.6
227.07138	1.0
229.07619	1.1
231.08003	1.1
233.09587	3.8
235.07512	11.3
236.08282	15.5
237.08974	3.9
246.06798	1.6
247.07527	32.5
247.15207	1.9
248.08112	5.8
249.05432	2.8
249.09193	1.8
251.10652	95.5
252.11095	3.1
253.08661	7.2
255.06392	1.3
261.09192	4.7
263.07083	3.6
264.07822	12.6
265.08600	4.9
266.05768	1.2
267.10239	1.6
267.17068	3.7
278.09555	1.2
279.10141	68.5
280.10620	6.9
281.08060	10.8
283.09616	2.5
283.13025	1.7
293.15628	1.2
293.18536	1.2
295.09567	1.4
296.10394	12.1
311.12747	66.9
311.19846	3.7
312.12952	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01854	4.9
55.05511	15.3
56.05023	2.7
56.96551	1.9
57.03418	5.3
57.07057	4.6
65.34185	1.3
67.05499	22.1
69.03415	4.5
69.06722	2.3
69.07067	28.9
70.02962	1.8
70.06570	4.5
71.04980	2.2
71.56573	2.5
72.04504	2.2
72.73861	1.4
79.05488	14.7
81.03398	3.0
81.07053	40.5
82.06544	1.7
83.04964	4.5
83.08602	9.3
84.08102	1.5
85.02885	3.1
85.06534	5.0
87.05590	4.1
91.05071	1.5
91.05489	17.1
93.07038	15.1
94.04158	4.0
95.04963	7.3
95.08598	24.7
97.02852	2.3
97.06540	3.5
97.10140	3.6
98.09692	1.6
99.08094	23.3
100.03965	4.0
100.11250	2.1
105.07024	14.4
107.04951	3.2
107.08600	15.5
108.08094	6.1
109.06516	5.9
109.10153	23.7
110.06065	1.5
111.08090	3.0
111.11703	3.0
113.06007	1.6
113.07123	3.3
114.05527	8.8
117.07011	2.9
119.07778	1.4
119.08566	8.4
121.06524	1.6
121.10125	7.1
122.03627	9.9
122.09650	1.8
123.08089	3.2
123.11726	7.3
125.09634	2.4
128.06186	1.7
129.07014	1.7
131.04919	1.7
131.08539	6.0
133.10115	18.4
135.08037	2.2
135.11728	4.0
136.11261	1.5
137.05969	81.4
137.09528	1.8
137.13249	2.6
138.06267	1.8
142.05066	7.0
142.05957	1.7
143.08508	1.9
144.05656	7.1
145.06476	1.5
145.10167	3.5
147.04367	1.4
149.05933	3.5
149.09605	3.2
149.13211	3.6
151.11171	9.0
152.14348	1.5
157.10069	1.5
159.07675	7.8
159.11693	2.0
160.11084	1.6
160.85632	1.3
161.06015	2.5
161.13235	2.3
163.11153	2.1
165.06976	3.1
165.12747	1.5
169.12256	2.9
172.05154	7.6
179.11803	3.0
181.06502	2.2
187.07520	30.8
188.08310	8.3
189.07033	4.3
190.07747	9.4
191.08578	20.8
194.07425	1.4
207.07957	4.3
208.08813	15.6
209.09438	1.5
210.06715	1.8
211.07568	2.1
218.07314	8.0
219.08052	44.3
220.08694	4.9
221.05925	6.0
223.07570	1.9
223.11012	4.5
225.09131	3.7
225.12366	2.1
233.09595	14.6
235.07509	11.3
236.08299	24.7
237.08873	6.9
238.06282	2.2
240.07689	1.7
247.07532	39.2
248.08276	7.9
249.05466	2.9
249.19759	1.9
250.06155	1.5
250.09691	2.0
251.10658	53.2
252.10970	2.9
252.15919	2.9
253.08577	23.1
261.09091	19.5
262.09744	3.0
263.07092	5.8
264.07785	21.4
265.08566	7.8
268.11053	2.1
275.20001	5.0
278.09207	2.7
279.10156	92.5
280.10818	8.2
281.08130	19.1
283.09647	3.1
293.11639	6.6
293.18591	6.8
296.10403	30.9
297.10815	1.8
311.12741	100.0
311.19281	15.2
311.21860	2.0
311.29477	4.6
312.12976	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05508	1.1
55.60494	0.9
66.04682	0.8
67.05507	1.4
69.56559	4.5
69.56967	1.8
70.06532	0.8
72.97704	0.7
73.31617	0.9
76.54335	0.8
79.05484	5.2
81.07040	2.9
85.02924	1.0
89.03890	1.4
91.05465	5.9
94.04173	5.2
95.04942	1.7
95.08600	1.5
103.05458	2.4
105.07021	7.3
107.04935	3.5
109.06504	5.7
115.05440	3.3
116.06226	0.9
117.03390	0.9
117.07015	1.3
118.04063	0.8
119.04801	0.9
119.08567	1.4
121.06530	1.3
122.03653	10.3
127.05460	1.3
128.06172	1.9
129.06940	4.3
130.40208	0.9
131.04929	2.1
131.08517	2.3
133.06482	5.6
135.04396	1.6
137.05969	100.0
144.05666	3.2
145.06461	1.9
147.04381	1.6
147.08008	1.2
149.05978	5.5
149.07388	2.5
151.07579	2.1
155.04909	7.5
156.05687	1.3
159.08043	6.4
161.05974	10.7
163.03914	6.6
163.07417	1.0
165.06999	3.5
166.07907	0.9
167.07150	1.3
169.06477	0.9
172.05176	2.4
175.07523	3.2
177.61302	1.1
179.08568	2.1
181.06519	1.3
187.07530	25.8
189.06964	7.6
190.06131	1.7
190.07770	22.6
191.08540	47.0
192.08937	1.6
194.07237	1.1
195.08099	1.1
201.06960	0.9
202.07790	2.6
203.08588	1.5
205.06494	3.3
207.08012	6.1
208.08813	7.2
217.06512	1.1
218.07243	15.9
219.08043	62.2
220.08737	7.9
221.05974	3.8
222.06897	0.9
223.11133	2.0
225.09183	1.8
231.07976	1.2
233.09596	1.9
235.07524	8.5
236.08325	14.8
237.09111	2.5
238.65231	1.2
241.69904	0.9
246.06721	2.3
247.07556	22.7
248.08215	3.9
249.05481	1.5
249.09138	1.2
250.09810	1.6
251.10651	84.9
252.07785	1.2
252.11073	2.8
253.08600	7.9
261.09079	2.9
263.07025	2.3
264.07803	9.6
265.08603	4.5
267.09933	1.0
267.17017	1.1
267.21503	1.9
268.10959	1.8
273.23193	1.0
279.10147	61.4
280.10718	6.3
281.08060	11.1
283.13324	1.6
295.09641	1.5
296.10406	12.0
311.12741	56.5
311.24039	1.8
312.13019	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05503	2.0
56.83558	1.1
56.96553	1.4
67.05495	2.7
69.03442	1.2
69.07079	2.3
70.06598	1.6
71.05000	1.6
77.50198	1.1
79.05486	5.5
81.03462	1.0
81.07057	5.7
85.02885	2.1
91.05487	5.9
93.07016	3.4
94.04188	5.3
95.04961	2.7
95.08557	1.7
97.02868	1.6
97.06532	2.1
100.03960	1.5
103.05491	2.7
105.07014	9.4
107.04971	5.4
108.08105	2.5
109.06529	7.8
115.05453	3.5
116.06232	1.6
117.30270	1.0
119.08582	3.0
120.08098	1.2
121.06482	1.8
121.10114	1.8
122.03631	11.8
124.11194	1.8
127.05396	1.3
128.06210	2.5
129.06998	5.6
129.07791	1.0
131.04906	3.0
131.08528	1.8
132.32941	1.1
133.06506	6.4
135.11662	1.3
137.05971	100.0
141.06726	1.1
142.04956	1.4
143.05954	1.3
144.05678	3.7
146.03560	1.1
146.05907	1.3
147.04384	2.3
149.05960	7.1
151.07495	1.8
155.04929	9.2
155.06062	1.6
156.05652	1.7
157.10214	1.1
159.08054	9.6
161.05971	12.9
163.07602	1.8
165.06923	5.1
167.08592	1.7
172.05186	4.2
175.07515	3.8
178.07684	1.6
179.08586	2.6
180.09305	2.1
187.07536	28.2
189.07001	7.5
189.08684	1.2
190.06134	2.1
190.07759	27.8
191.08545	56.3
192.08867	2.7
193.02896	1.2
195.07994	1.5
202.07828	2.0
203.08594	2.2
205.06493	4.5
207.08000	8.7
208.08809	9.7
217.06375	1.3
218.07272	16.4
219.08037	68.4
220.08707	8.1
221.05966	4.2
223.11217	2.1
225.09077	1.5
233.09586	3.0
235.07538	9.2
236.08273	15.9
237.09050	2.3
246.06792	1.8
247.07553	31.8
248.08182	4.3
249.09085	1.6
250.09914	1.6
251.10663	93.8
252.10992	2.4
253.08670	6.9
261.09106	6.0
263.07068	2.1
264.07806	10.5
265.08597	3.4
266.05774	1.4
267.10214	2.1
267.17117	4.5
268.07373	1.5
268.10770	1.8
278.09302	1.5
279.10141	65.6
280.10846	5.5
281.08066	10.7
283.09610	1.1
293.11551	1.2
295.09631	1.5
296.10431	13.4
311.12732	68.2
311.19739	3.1
312.13165	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
54.33302	1.1
55.01858	2.1
55.05489	2.6
57.03420	1.4
67.05495	3.2
69.03416	1.6
69.07055	2.2
69.39658	1.1
70.49621	4.5
79.05476	6.5
81.03372	1.5
81.07054	7.1
83.04991	1.5
87.31464	1.1
90.86456	1.3
91.05493	7.8
93.07036	2.6
94.04189	5.9
95.04935	3.7
95.08591	4.3
97.02856	1.3
97.06505	1.3
103.05476	1.8
105.07028	11.1
107.04945	2.3
107.08621	2.5
108.08092	4.4
109.06509	5.6
109.10117	2.7
115.05434	3.2
116.06229	1.7
117.07028	1.6
118.04113	1.2
119.04933	1.4
119.08588	1.9
121.06419	1.6
121.10097	1.3
122.03641	13.0
123.08040	2.1
128.06168	1.2
129.06981	4.3
131.04887	3.4
131.08580	2.3
133.06439	5.0
133.10114	2.1
137.05972	100.0
141.07005	1.4
144.05733	5.5
145.06453	2.6
147.04413	1.2
149.05957	6.4
155.04886	5.9
156.05634	1.3
159.08066	9.0
161.05981	14.9
162.06252	1.4
165.06976	4.5
167.07086	2.0
171.04388	2.8
172.05202	5.0
175.07520	2.8
179.08496	1.8
179.14265	2.3
187.07532	35.6
188.08221	2.4
189.06992	8.3
189.08751	1.8
190.07767	28.1
190.09453	1.6
191.08542	52.1
192.08949	1.6
193.06584	1.4
194.07097	1.7
199.03851	1.9
200.14348	1.2
201.14639	5.4
202.07803	2.1
203.08560	2.6
205.06509	3.8
207.08035	6.8
208.08757	10.1
213.12329	1.9
218.07220	15.5
219.08041	68.5
220.08682	8.4
221.05959	3.6
223.07439	2.3
225.09099	2.2
231.07990	2.0
233.09560	4.3
235.07471	11.8
236.08337	17.1
237.09032	2.6
246.06720	1.3
247.07547	32.8
248.08336	5.8
249.05383	1.8
249.09007	1.3
250.09927	2.5
251.10661	94.2
252.10999	4.2
253.08572	7.7
261.09174	6.7
263.07059	2.5
264.07806	10.4
265.08472	4.7
265.79556	1.3
267.10178	1.5
267.17059	2.7
268.10794	1.3
278.09189	2.5
279.10147	75.6
280.10760	7.5
281.08090	9.6
283.09595	2.3
283.13174	1.3
293.11627	2.5
296.10410	15.7
311.12717	66.3
311.18604	2.0
312.13214	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	311.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01856	1.8
55.05502	1.0
59.73216	0.8
61.06558	1.0
65.03896	1.6
67.05507	1.3
69.41579	7.7
79.05483	3.9
81.03403	1.0
81.07051	2.6
91.05475	5.1
93.07027	1.4
94.04189	5.7
95.04978	1.6
95.08623	1.1
103.05472	2.6
105.07029	7.2
107.04948	2.8
108.08083	2.8
109.06528	6.1
115.05432	2.7
116.06263	1.2
117.03391	1.5
121.06506	2.3
122.03648	11.1
128.06203	2.8
129.06998	6.2
131.04912	2.3
131.08519	1.2
133.06509	4.7
136.07593	1.3
137.05972	100.0
138.06299	1.7
144.05675	5.1
145.06474	1.9
146.03629	1.8
147.04388	1.1
149.05978	5.4
155.04913	8.7
156.05647	1.3
159.08038	10.8
161.05977	12.0
163.03929	0.9
165.07002	5.1
169.06418	1.2
171.04446	1.4
172.05156	3.4
175.07553	3.1
179.08582	1.8
180.09348	1.7
187.07532	25.2
189.07008	9.2
189.08916	1.6
190.07771	30.7
191.08542	58.9
192.08974	1.6
201.06932	1.5
202.07777	2.7
203.08549	1.1
205.06496	3.7
205.10110	0.9
207.08046	6.9
208.08791	7.2
217.06549	1.1
218.07259	19.2
219.08041	74.3
220.08757	7.7
221.05971	2.7
225.09091	2.5
231.07944	1.6
233.09602	2.4
235.07527	10.2
236.08301	15.9
237.09125	3.8
246.06772	1.8
247.07538	32.0
248.08183	4.5
249.09027	1.0
250.09908	1.2
251.10658	95.0
252.07945	1.2
252.10997	3.6
253.08582	8.0
255.10115	0.9
261.09058	3.7
263.07016	3.3
264.07831	12.0
265.08472	4.4
266.05795	1.6
267.10196	2.0
267.16986	1.9
277.08746	1.1
279.10153	68.7
280.10843	7.6
281.08063	12.2
294.08810	1.3
295.09692	2.4
296.10422	15.6
311.12756	61.2
312.13156	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	310.2527
Annotation	Holaromine
Peak:m/z	Relative Intensity
52.97511	1.3
55.05497	3.4
57.07062	2.8
67.05504	7.3
69.03423	1.8
69.07058	2.3
70.04070	1.6
70.06599	8.0
71.04992	1.4
78.01795	1.5
79.05492	10.9
81.07066	9.6
82.07379	1.2
83.04963	1.3
83.07356	1.6
83.08611	1.4
91.05481	9.2
93.07037	6.9
95.04963	1.9
95.08597	4.4
96.08125	3.0
96.59569	1.2
97.10123	1.4
99.08095	1.7
105.07008	8.3
107.08562	5.0
109.02878	1.4
109.06508	2.5
109.10137	1.4
111.04417	2.0
117.07021	4.8
119.08582	7.4
121.10111	2.2
122.09656	6.7
129.07007	8.1
131.08571	10.5
133.10092	3.4
134.09648	2.2
135.11739	1.5
136.11183	1.7
137.12007	2.0
141.76131	1.1
142.07764	1.4
143.08577	7.3
144.09331	1.9
145.10126	5.7
146.09683	4.4
148.11218	1.7
157.10052	6.1
160.11169	2.4
161.13240	1.9
169.10121	2.2
171.11674	3.1
173.13264	7.1
174.12888	6.2
174.14133	1.4
184.11258	1.5
185.13274	1.4
186.12759	8.7
188.14313	1.4
198.12721	2.8
199.14886	2.4
200.14349	1.6
209.11731	8.7
212.14384	3.2
214.15927	1.5
224.14348	1.6
224.83018	1.2
226.15869	3.9
228.17297	1.7
229.43135	1.8
237.11201	7.8
238.15840	2.8
240.17465	4.4
252.17485	5.2
254.18990	2.2
255.11935	1.4
280.20596	3.1
292.22717	2.3
293.21188	4.2
308.23697	2.0
310.25281	100.0
311.20248	1.5
311.25565	3.8
321.70749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
53.74877	0.6
55.05506	4.0
56.96536	0.7
57.03402	1.6
57.07061	1.6
60.53078	0.6
65.20045	0.6
67.05498	5.6
68.04972	1.2
68.05801	1.3
69.07063	11.1
70.04037	1.2
70.07375	1.3
71.04969	1.1
73.06551	1.3
78.72961	0.8
79.05495	5.8
80.05788	0.7
81.03400	1.1
81.07052	10.5
82.06551	0.9
82.07339	2.0
83.04952	1.2
83.08572	2.1
84.04459	1.0
84.08139	0.9
84.08923	1.0
85.06528	0.8
86.09663	3.1
88.03947	0.8
91.05468	3.5
93.07041	7.0
94.06524	1.2
95.04914	2.1
95.08609	8.2
96.08076	1.0
96.08905	1.9
97.06507	1.4
97.10106	0.9
98.09671	1.6
98.98412	1.1
100.11244	0.7
105.06388	1.0
105.07028	10.8
107.04951	11.5
107.08607	4.8
108.08117	20.1
109.06496	1.1
109.08867	1.1
109.10110	3.2
110.09648	3.0
110.10421	1.1
111.08036	1.1
115.07551	1.2
118.42607	0.6
119.08542	2.3
120.53912	0.7
121.08813	0.8
121.10129	1.6
122.09668	11.1
122.10495	1.6
123.10420	1.3
123.11662	1.5
124.11124	0.7
129.06955	0.9
133.10065	1.5
135.11703	4.1
136.11108	3.3
137.05960	3.5
137.13226	0.7
145.09967	0.8
147.11629	1.1
149.13260	1.1
150.11636	1.4
150.12767	20.3
151.07477	0.7
151.13593	6.6
151.14708	1.4
152.14284	5.0
153.12732	1.4
164.14328	3.2
165.07924	1.2
166.08705	0.8
166.12222	1.1
166.15887	3.3
174.06610	0.8
178.15964	1.2
182.15395	0.8
187.07590	4.9
190.07707	1.1
192.17459	1.6
194.11824	1.0
203.08484	0.8
208.13289	2.0
210.14856	2.6
212.16412	2.0
215.08653	0.9
218.07225	2.3
219.08109	1.6
220.20517	3.3
231.35004	0.7
233.09782	1.7
235.07431	1.3
236.16438	2.7
238.21683	1.2
241.08513	1.6
249.09163	1.0
250.14485	0.8
251.10663	1.4
261.09109	2.6
265.08365	0.8
266.21140	100.0
267.17084	7.7
267.21533	2.2
268.22729	6.0
278.09189	1.3
281.11679	1.0
292.15485	1.0
293.11816	1.5
310.23749	54.6
311.12784	3.1
311.19662	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	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	2.4
55.01870	2.6
55.05507	31.8
57.03426	6.4
57.07076	28.8
65.03931	3.4
67.05502	47.8
69.03413	2.4
69.07066	52.5
69.23918	20.0
70.02963	2.0
71.01358	1.5
71.04982	5.7
71.08623	14.2
72.04525	2.9
76.02193	1.5
79.05494	34.0
80.05029	2.6
81.03444	3.6
81.07055	100.0
81.41274	1.5
82.07370	1.5
83.04964	8.2
83.08615	30.1
84.04525	1.7
84.08125	1.7
85.02915	13.6
85.06527	2.6
85.10181	7.9
87.05589	3.7
89.62824	1.7
91.05480	22.6
92.88120	1.7
93.06493	1.1
93.07037	44.5
94.06567	7.3
95.04983	10.4
95.08603	86.2
97.02887	2.7
97.06535	7.8
97.10173	19.3
99.08096	1.7
105.07028	29.8
106.06585	2.2
107.04977	2.5
107.08602	31.7
108.08116	8.5
108.08871	2.2
109.06512	13.3
109.10151	43.4
109.58997	1.7
111.05595	1.6
111.08098	4.5
111.11691	9.5
113.06047	1.8
117.07004	2.9
119.08575	21.4
120.08111	2.4
121.06471	2.7
121.10139	19.4
121.15105	1.6
122.09669	28.7
123.04477	1.9
123.08073	11.2
123.11697	23.5
125.09659	4.0
125.13262	3.2
127.07574	9.8
129.05482	3.3
131.08580	7.8
133.10129	19.3
134.09654	3.6
135.08051	1.8
135.11691	14.4
136.11179	2.0
137.09615	8.7
137.13254	8.5
138.09142	2.3
139.11201	2.6
145.06180	1.5
145.10118	4.2
146.09694	1.8
147.04471	2.6
147.06519	2.0
147.08011	2.3
147.11688	17.6
148.11226	2.1
149.13223	7.9
151.11186	5.7
151.14844	3.9
155.10643	4.4
157.06075	1.8
159.11691	3.5
161.13246	10.0
163.11133	2.6
163.14857	4.3
164.10777	3.2
165.10327	2.2
165.12727	7.4
165.16382	2.8
166.08717	1.7
175.14832	4.7
176.14322	2.5
177.05464	2.6
177.12769	3.8
177.16370	2.7
179.14236	3.4
179.17867	1.6
188.14453	1.6
189.11227	1.7
189.16385	2.8
192.13823	2.6
193.14629	2.0
193.19722	1.8
194.15530	3.3
195.23279	1.5
203.18021	3.7
206.15366	2.9
217.19565	4.6
222.14990	2.5
227.52374	1.5
234.06941	1.5
235.16922	1.8
235.20663	1.8
237.62129	1.7
250.14397	9.6
264.34854	1.6
265.19095	6.3
273.18411	2.4
273.25735	14.9
277.08578	2.5
288.95370	1.4
291.16998	4.6
291.19797	3.8
291.26758	12.7
292.15497	8.3
309.11230	2.2
309.18042	37.8
309.20819	2.5
309.27930	17.7
310.28082	1.5
315.46011	2.0
325.99557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	2.4
55.05509	32.1
55.30725	1.1
57.03429	2.6
57.07075	35.8
65.03930	2.0
67.05503	54.0
67.48864	1.0
69.03430	2.1
69.07063	53.7
69.24297	12.3
70.07391	1.3
71.04986	1.7
71.08627	21.7
79.05489	31.6
81.03394	3.0
81.07051	100.0
82.07397	2.0
83.04979	3.5
83.08615	38.0
85.06525	2.1
85.10181	10.0
91.05476	22.8
93.07040	39.6
95.04976	7.4
95.08602	95.0
96.08936	2.0
97.06521	4.2
97.10163	21.5
99.08073	1.3
105.07023	35.6
107.08589	25.6
109.06517	13.3
109.10150	54.3
111.08087	3.9
111.11718	11.3
117.07008	1.3
119.08573	22.7
121.10137	20.3
122.10481	1.4
123.08075	7.8
123.11703	23.0
125.09630	2.5
125.13262	3.3
127.07558	14.8
131.08601	1.2
133.10126	18.1
135.11685	15.1
137.09601	8.8
137.13220	8.4
139.11197	2.0
141.09109	2.0
145.10066	1.4
147.10527	1.5
147.11682	25.3
149.13258	9.8
151.11136	5.2
151.14813	4.2
155.10648	6.2
161.13255	14.5
163.14812	5.1
165.12755	7.1
165.16426	2.6
175.14803	4.7
177.16409	3.8
179.14294	1.6
179.17915	1.3
189.16406	6.9
191.18039	3.2
193.06552	1.1
193.19627	1.3
203.17955	4.6
217.19470	5.4
247.24205	2.2
273.25763	16.4
291.26807	15.7
292.27237	2.2
309.27878	25.7
310.28308	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03932	2.3
55.01865	1.6
55.05508	27.6
57.03415	2.3
57.07074	34.9
59.15668	1.2
61.14859	1.1
65.03919	1.4
67.05500	50.2
69.07066	53.1
70.63074	4.4
71.04985	1.5
71.08237	1.3
71.08626	21.5
72.66978	1.3
79.05486	34.5
81.03417	1.8
81.07050	100.0
82.07347	1.5
83.04966	3.9
83.08614	34.9
85.10194	9.9
91.05476	20.0
93.07036	36.1
93.07628	1.8
95.04990	8.1
95.08601	92.4
97.06512	3.5
97.10166	21.8
105.07023	31.4
107.08591	23.8
109.06521	12.8
109.10151	51.1
110.10520	1.4
111.08063	4.1
111.11700	11.2
117.07014	1.9
119.08566	21.1
121.10131	19.6
123.08039	6.1
123.11691	20.3
125.13251	4.9
127.07536	11.7
131.08597	1.7
133.10118	18.3
135.11674	15.2
137.09599	7.7
137.13229	9.3
139.11182	2.2
141.09093	2.5
147.11668	28.9
149.13219	9.8
151.11183	4.8
151.14766	3.3
155.10672	5.7
159.07764	1.2
161.13255	11.4
163.14780	4.9
165.12724	7.2
165.16353	3.9
175.14854	5.8
177.00612	1.2
177.16371	3.6
178.26782	1.3
179.14314	1.5
179.17955	2.3
189.16324	6.7
191.17908	3.6
191.32933	1.2
203.17969	4.4
217.19533	4.3
247.24261	1.9
249.83791	1.4
273.25726	19.4
291.26779	14.8
305.15091	1.2
309.27911	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01869	5.4
55.05511	24.4
56.96559	6.6
57.03426	6.2
57.07058	10.0
57.97192	3.1
58.24448	2.7
67.05494	30.4
69.03416	10.9
69.07066	48.1
70.46212	11.1
71.04983	4.7
71.08603	3.5
72.08107	4.4
79.05489	28.6
81.03400	8.3
81.07050	100.0
83.04984	3.5
83.08617	19.1
85.02890	28.1
85.06537	16.5
91.05466	25.6
93.07047	38.1
95.04987	16.0
95.08601	68.1
97.02889	8.3
97.06518	4.2
97.10152	10.8
98.97549	3.6
99.08081	8.4
100.11289	3.6
105.07011	17.8
107.04981	3.7
107.08593	30.8
109.06493	7.9
109.10153	55.3
111.08057	12.6
111.11723	8.9
117.06993	4.4
119.04928	19.9
119.08587	16.7
121.06487	3.9
121.10144	23.1
123.04424	4.7
123.08089	4.5
123.11707	34.7
125.09605	4.4
125.13276	3.0
127.63453	2.7
128.98650	2.8
129.07028	6.3
131.08545	5.9
133.06444	4.5
133.10118	10.1
135.11688	19.3
137.13228	15.7
139.11185	6.5
140.88785	2.9
147.04398	55.9
147.11682	7.7
149.12152	3.0
149.13248	17.6
153.12758	5.6
157.10161	4.1
159.11644	3.8
161.13240	5.9
163.11168	4.2
163.14819	9.0
171.11623	7.9
177.05492	5.1
177.16377	8.8
187.53967	3.4
189.06781	3.5
189.12686	6.3
191.17976	4.6
200.14323	6.2
203.17889	3.6
217.12299	8.9
217.19583	6.5
234.06813	3.4
249.09102	6.9
266.09290	3.8
273.25861	4.2
277.08624	10.3
279.26837	6.6
281.11777	9.7
291.19568	4.5
291.26825	17.1
309.11011	16.2
309.17075	4.3
309.27844	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	309.2785
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03932	3.2
53.14611	1.6
55.05509	32.4
57.03416	2.3
57.07074	17.3
59.04998	2.2
65.52634	1.8
67.05496	23.7
69.03421	2.3
69.07065	89.9
70.82159	4.9
71.04972	3.3
71.08627	6.9
77.17896	1.4
79.05486	23.9
81.03376	1.4
81.07053	100.0
82.07394	3.5
83.04953	1.8
83.08614	23.6
85.06543	10.6
85.10177	2.9
88.96229	1.3
91.05473	8.2
93.07035	29.6
95.04983	7.2
95.08601	43.9
97.06515	6.8
97.10166	20.1
99.08089	7.4
105.07021	11.4
107.08593	25.5
109.06513	7.1
109.10152	34.6
111.08042	4.4
111.11707	14.0
113.09651	3.5
117.07082	1.8
119.08568	9.8
121.10133	16.5
123.08045	2.7
123.11692	12.6
125.09583	3.9
125.13240	1.9
127.07483	2.0
131.08586	1.7
133.10107	8.5
135.11673	14.1
137.09605	2.1
137.13251	4.6
139.11176	10.0
139.81274	1.5
145.10234	1.9
147.04378	2.3
147.11682	7.2
149.09717	1.8
149.13225	9.9
151.11157	5.0
151.14777	1.9
153.12778	2.2
159.11780	1.8
161.13191	6.2
163.14793	8.3
175.14836	1.9
177.12721	1.4
177.16418	3.1
189.16376	2.1
191.17940	6.2
203.17978	1.9
205.19525	5.2
209.18820	1.5
212.56641	1.6
217.19475	2.9
261.25751	5.4
262.51047	1.5
273.25766	6.0
277.08521	1.7
279.26794	15.1
281.11752	2.0
291.19528	3.5
291.26779	4.2
299.07834	1.7
309.11356	1.9
309.27704	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01862	3.7
55.05303	2.2
55.05507	24.4
55.30550	2.3
57.03419	6.4
57.07054	9.7
65.03925	3.7
67.05496	36.7
69.03405	7.5
69.06722	4.4
69.07064	51.5
69.33147	23.8
70.04057	3.6
71.04980	2.4
79.05490	28.3
81.07049	100.0
83.04958	4.2
83.08620	23.6
85.02886	9.3
85.06536	16.2
91.05475	15.5
93.07034	39.0
95.04953	8.5
95.08597	77.8
97.02861	3.4
97.06537	4.7
97.10159	14.7
98.97604	3.3
99.08079	12.1
100.11265	14.6
102.53575	2.4
105.06986	12.3
107.04973	3.4
107.08574	41.0
109.02825	3.4
109.06507	3.0
109.10155	58.7
111.04441	2.9
111.08061	14.2
111.11710	9.1
119.04914	18.5
119.08549	7.6
121.06460	3.2
121.10139	25.3
123.04426	3.8
123.11687	35.6
125.09650	5.7
133.10117	5.0
134.52568	3.0
135.11682	27.1
137.13252	13.4
139.11182	5.5
141.11545	2.8
145.02823	3.1
146.48236	2.3
147.04395	67.9
147.08099	2.4
147.11681	7.0
148.04649	3.1
149.13229	28.7
151.14888	3.2
153.12740	6.8
155.14334	2.6
155.26262	2.5
159.73589	2.5
161.13228	4.5
163.14828	9.4
165.06984	2.6
168.22137	2.8
177.05522	3.3
177.16431	8.3
179.17735	3.1
182.15312	3.4
189.16385	4.6
191.17867	8.1
194.07356	2.8
197.05896	2.6
202.07765	3.0
203.17935	2.3
213.17683	3.7
217.19505	6.4
220.08806	3.4
225.09305	2.6
231.08046	7.5
234.06674	3.3
235.07448	2.9
240.07739	6.7
247.07385	3.5
247.24385	3.2
248.08194	7.1
249.08911	3.2
253.08569	4.5
259.07520	3.7
260.08350	2.9
265.08533	3.2
273.25656	4.2
274.09723	2.9
276.07703	4.6
277.08701	7.7
277.22717	2.8
278.09427	4.3
279.10159	3.2
279.26752	8.8
281.11615	3.1
291.10175	17.1
291.26721	18.4
292.10526	2.8
309.11301	17.5
309.27795	4.9
325.52884	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	309.2784
Annotation	Peregrinol (diterpene)
Peak:m/z	Relative Intensity
53.03942	3.0
55.01864	4.0
55.05508	33.9
57.03436	4.4
57.07069	22.6
59.04980	2.0
67.05502	59.4
69.03423	4.5
69.07064	50.4
70.04078	3.1
70.49222	1.9
71.04983	6.4
71.08623	19.1
71.36437	1.6
71.57671	1.9
74.03308	2.0
76.02211	2.6
79.05491	34.5
81.03409	2.1
81.07052	100.0
83.04980	6.9
83.08614	29.1
85.02881	3.3
85.06531	6.9
85.10172	6.1
91.05465	28.5
93.07037	49.8
95.04974	13.4
95.08602	89.3
97.06505	9.2
97.10169	18.1
99.08111	5.2
105.07027	33.6
105.07677	2.6
107.04984	2.2
107.08576	31.6
108.08087	2.5
109.06525	9.8
109.10155	48.4
111.08057	9.4
111.11683	8.8
117.07016	6.8
119.08567	26.4
121.06524	3.8
121.10141	25.7
122.09684	2.4
123.08042	12.7
123.11709	24.2
125.09608	3.5
125.13257	3.3
127.07584	3.7
129.06982	2.3
131.08546	7.1
133.06444	1.9
133.10126	21.1
135.11667	13.8
137.09604	11.4
137.13251	7.3
139.11180	4.1
141.09073	2.2
143.08592	4.3
145.10170	5.0
147.04408	4.4
147.08105	2.7
147.11667	20.3
149.13254	11.4
151.11134	4.0
151.14803	3.4
155.10622	3.5
157.10156	2.4
159.11746	1.9
161.09598	2.1
161.13220	10.4
163.14851	9.3
163.45445	1.7
165.12743	6.3
165.16376	2.6
171.11763	2.7
175.14815	6.9
177.05521	2.6
177.16412	2.9
189.16391	7.1
191.17856	3.3
194.23679	2.0
199.14819	4.4
203.18016	6.0
217.15950	3.9
217.19562	5.9
247.24147	3.4
273.18597	3.0
273.25784	13.3
277.08777	1.9
291.19550	6.4
291.26901	12.7
309.11124	2.4
309.17093	2.6
309.20688	2.8
309.28143	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	27.8
55.01871	10.0
55.05506	41.8
57.07070	11.5
59.85183	4.5
67.05503	91.2
69.03419	5.6
69.07064	58.6
69.60710	36.0
71.08621	10.1
71.90136	4.6
75.84624	4.0
79.05485	59.0
80.43211	4.5
81.03417	87.7
81.07059	80.0
83.04986	23.1
83.08604	22.1
85.06538	7.2
91.05479	32.5
93.06551	6.2
93.07044	56.7
95.04959	61.2
95.08599	33.9
97.06529	6.3
97.10158	21.1
99.08075	8.6
105.07019	38.7
107.04958	5.5
107.08597	38.3
109.06512	10.7
109.10149	33.0
111.08080	6.9
111.45859	4.0
117.07014	7.1
119.08582	21.5
121.10104	11.5
123.08036	8.5
123.11724	6.2
125.09631	28.1
129.06963	6.9
129.87128	4.8
131.08600	6.3
132.96410	4.6
133.10136	21.9
135.08022	7.7
135.11713	16.5
145.10147	7.1
147.11685	20.1
149.13300	6.5
151.11174	55.8
161.09612	4.3
161.13271	14.5
165.12762	17.0
171.11664	9.8
175.14827	13.3
189.12723	4.8
199.03566	4.4
207.13863	8.0
219.67456	5.8
231.21007	11.3
241.19678	11.0
249.22005	9.5
259.20587	13.6
277.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.4
55.01870	5.7
55.05509	21.2
56.10353	3.8
57.03430	10.5
57.07060	8.9
57.48116	3.8
67.05501	47.5
69.07059	28.3
70.04065	5.2
71.31671	8.9
78.09198	4.2
79.05482	33.5
81.03418	8.2
81.07050	50.8
83.08627	11.3
84.66560	3.7
88.29524	3.6
90.22150	3.3
91.05473	42.7
93.07039	80.0
95.04964	63.1
95.08604	48.7
97.06530	21.2
97.10183	4.6
97.28266	3.9
103.05444	7.0
105.04541	3.3
105.07027	96.8
107.08585	41.4
109.06515	17.7
109.10148	28.8
115.05465	9.4
117.07027	22.5
119.08574	68.4
119.09373	6.2
121.00465	5.3
121.06497	8.8
121.10139	100.0
123.08077	17.5
123.11719	5.7
128.06197	9.2
129.06995	13.2
130.07799	8.9
131.08566	48.5
133.10121	52.1
135.08000	10.3
135.11656	10.0
141.07034	8.4
142.07765	17.0
143.08540	38.6
144.09340	8.1
145.10109	64.6
147.11681	12.2
154.07713	5.7
155.08617	18.1
156.09370	11.8
157.10164	38.9
158.10802	7.7
159.11684	39.9
161.09608	9.2
161.13246	8.4
167.08493	7.4
168.09354	6.8
169.10094	19.3
170.10947	5.7
171.11659	20.5
171.26495	4.7
173.13263	24.7
175.14885	11.9
177.00203	3.7
177.50319	5.2
179.08597	5.4
181.10101	10.3
181.23070	3.7
183.11682	17.2
185.13275	11.9
187.11212	8.0
187.14798	22.8
192.09245	4.0
193.10112	4.7
194.10759	4.0
195.11754	11.5
197.13251	12.7
199.14830	7.9
199.51665	5.7
206.10854	4.4
207.11761	11.3
209.13264	12.8
211.14786	9.3
213.16312	6.0
215.14337	5.6
217.52745	5.0
223.14748	8.9
225.16277	4.1
235.14824	8.9
239.17873	6.7
241.15900	5.1
241.19408	4.1
249.16251	5.4
253.19458	4.5
265.19559	6.7
281.22440	5.3
291.20984	12.0
292.22711	3.7
309.21970	68.8
310.22742	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.35072	2.2
53.03939	6.4
55.01865	3.4
55.05507	17.1
57.03418	4.2
57.07069	4.0
67.05500	34.3
69.07065	19.1
69.46233	4.6
69.46633	21.4
71.04977	3.2
73.73295	2.3
79.05489	28.6
81.07051	45.1
83.08607	6.7
87.93514	2.8
91.05472	39.6
93.07034	64.7
95.04964	43.5
95.08601	35.1
97.06517	13.1
97.10181	2.8
98.21405	6.3
103.05450	4.2
105.07027	69.9
107.08582	32.9
109.06481	12.8
109.10154	23.2
113.75962	2.4
115.05465	3.4
117.07018	17.8
119.07796	4.5
119.08582	51.8
120.21575	2.5
121.06503	8.8
121.10136	100.0
123.08081	12.4
123.11674	6.6
128.06241	9.0
129.06996	15.5
130.07803	3.4
131.08571	34.8
133.10112	36.6
135.11668	10.5
135.22552	2.5
141.06982	9.0
142.07782	11.9
143.08553	24.9
144.09372	7.0
145.10115	46.3
147.08055	5.3
147.11690	9.7
149.13304	3.1
154.07736	3.5
155.08586	13.5
156.09338	10.5
157.10120	35.7
158.10896	4.3
159.08038	3.9
159.11676	32.1
161.09631	7.6
161.13272	9.6
167.08569	6.8
168.09312	7.6
169.10106	19.2
170.10797	3.3
171.11649	18.8
173.13249	17.6
175.14839	6.7
179.08572	3.8
181.10109	10.5
182.10974	4.6
183.11700	19.7
185.13223	11.8
187.11163	10.8
187.14719	14.0
192.09357	4.1
193.10104	7.4
195.11678	10.5
197.09601	3.3
197.13312	10.4
199.14833	9.9
201.12790	3.4
207.11691	5.2
208.12492	3.5
209.13261	13.2
211.14703	12.3
213.12686	3.2
213.16423	5.8
221.13329	4.8
225.16400	5.9
227.14304	4.9
235.14771	8.2
237.16513	3.6
239.14186	4.9
239.17896	5.8
249.16432	4.7
251.17958	3.3
253.15886	7.8
265.19650	4.8
281.22623	6.7
291.21133	10.4
300.09048	3.0
309.22046	81.0
310.22244	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03940	8.2
54.33657	3.5
55.01867	27.4
55.05509	53.5
57.03437	7.6
57.07068	6.3
67.05149	2.1
67.05499	72.4
69.03419	12.0
69.07059	36.4
70.21944	6.7
70.22353	15.5
71.04987	9.2
79.05499	51.7
81.03424	11.4
81.07057	84.8
83.04989	17.8
83.08617	19.0
85.06533	8.3
91.05483	54.8
93.07042	62.9
95.04974	27.6
95.08606	51.6
97.02871	7.1
97.06540	9.6
97.10167	10.2
99.08116	5.8
103.05451	3.8
105.07027	48.2
107.04931	17.0
107.08574	42.3
109.06519	17.4
109.10152	48.2
111.04427	17.4
111.08041	18.5
113.05965	5.3
117.07048	10.1
119.08578	26.5
121.06503	14.3
121.10125	24.0
123.04414	12.1
123.08066	14.8
123.11681	10.0
125.06072	3.9
125.09636	8.3
129.06995	12.9
130.99139	3.9
131.08588	21.3
133.06454	6.9
133.10123	50.3
135.08034	17.0
135.11722	14.9
137.06017	10.9
137.09586	16.4
139.07518	6.6
143.08574	10.3
145.06537	4.0
145.10109	17.7
147.08064	13.1
147.11693	15.8
149.09598	19.6
149.13164	3.8
151.11154	24.4
153.09091	7.1
157.10139	12.9
159.11687	6.6
161.09627	22.5
161.13258	6.2
163.07425	4.0
163.11165	6.0
165.09123	10.5
167.10670	4.9
171.11633	9.3
173.09636	5.1
173.13252	4.4
175.11211	6.1
177.09108	4.4
179.10600	5.4
185.13177	4.4
189.12721	5.6
207.13879	5.5
223.13261	8.4
227.17923	7.4
228.85844	3.9
235.13255	8.9
245.19057	19.4
249.18597	6.4
255.17476	13.7
263.20105	11.9
273.18481	69.9
274.18729	4.4
291.19516	100.0
309.20499	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.37268	2.9
53.03946	4.9
55.01864	6.9
55.05514	55.9
57.03415	5.3
57.07064	7.2
57.39623	2.8
59.05003	3.9
67.05507	40.5
69.03427	9.2
69.07079	26.9
70.04067	7.3
70.91267	7.5
71.05002	4.5
79.05499	36.0
81.03410	10.7
81.07053	54.3
83.04977	6.6
83.08613	28.6
91.05464	23.1
93.07034	27.3
95.04956	10.2
95.08610	28.1
97.06512	5.6
97.10175	41.0
105.07022	17.4
107.04956	9.7
107.08576	23.6
109.06516	5.6
109.10152	16.9
111.04440	5.5
111.08064	18.3
112.20763	2.9
116.61065	2.7
117.06993	7.8
119.08569	18.2
121.06525	5.3
121.10146	11.7
123.04418	3.1
123.08058	26.7
123.11716	7.2
125.09646	34.3
128.06177	3.7
129.07001	5.7
130.46368	3.9
131.08569	10.0
131.50038	2.8
133.10121	11.0
133.26004	3.3
135.08029	4.4
135.11636	6.8
137.09584	4.1
145.10138	10.7
147.04459	5.5
147.07985	9.0
147.11627	7.3
149.09554	3.8
157.10127	6.6
159.11736	6.9
161.09596	4.9
163.11140	4.3
165.09087	3.6
171.11627	4.5
175.11168	5.3
183.11653	4.8
185.75259	2.8
187.14873	3.4
189.11221	25.5
197.80405	2.9
201.16505	3.7
223.13187	4.0
233.15309	3.2
273.18488	23.4
291.19540	100.0
291.26685	4.3
292.20050	4.0
309.20630	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03932	5.4
55.01872	20.3
55.05507	36.3
57.03430	3.2
57.07061	3.7
65.03933	2.7
67.05501	74.8
69.03421	6.1
69.07062	27.4
70.04061	1.3
71.04986	8.2
71.57717	1.4
71.58178	1.8
79.05489	49.9
81.03398	4.9
81.07052	100.0
82.07361	2.1
83.01331	3.4
83.04974	17.3
83.08614	11.9
85.02898	2.5
85.06532	7.2
91.05473	60.7
93.07039	51.5
93.07633	2.3
95.04959	16.6
95.08598	31.1
97.02862	3.2
97.06534	9.6
97.10165	6.3
99.04443	5.2
99.08070	2.4
99.53059	1.4
103.05520	1.5
105.07023	56.0
107.04967	11.5
107.08582	47.4
109.02893	1.7
109.06506	15.1
109.10150	73.4
111.04444	6.9
111.08049	9.9
113.05987	5.3
117.07017	9.0
119.04926	1.9
119.08572	20.0
121.06496	13.0
121.10139	12.7
123.04429	3.3
123.08048	7.1
123.11685	10.4
125.05980	2.5
125.09635	3.7
127.07543	4.7
128.06189	1.7
129.07008	7.3
129.31766	1.2
131.08551	12.8
133.06491	7.8
133.10123	87.0
134.10457	1.6
135.08080	6.7
135.11678	6.9
137.06021	1.9
137.09593	3.8
139.07553	8.5
141.06972	1.5
142.07799	1.7
143.08540	8.7
145.10143	12.6
146.07281	2.0
147.08049	10.0
147.11679	6.1
148.79373	1.3
149.09645	7.0
149.13184	2.3
151.07578	1.7
151.11174	45.2
153.09119	2.5
155.06987	1.4
157.10130	5.9
159.08018	2.3
159.11656	6.7
161.09637	11.5
161.13248	3.2
163.07355	1.6
163.11153	4.2
165.09116	1.8
165.12776	1.3
167.10689	1.7
169.12218	9.5
171.11739	6.6
173.09531	1.6
173.13231	1.6
175.11143	6.8
177.12767	1.7
179.10666	4.2
179.14362	2.1
181.08583	3.2
181.12250	2.4
185.13295	2.9
187.11118	2.4
187.14830	1.4
189.12715	3.7
191.10695	1.4
199.11220	1.9
207.13809	2.8
213.12733	1.8
215.12755	4.0
217.12320	2.8
227.17833	3.0
231.17389	1.9
233.15457	2.4
233.18587	1.4
245.18990	14.9
249.14903	2.0
255.17418	2.5
258.72601	1.4
263.20001	11.3
273.18484	31.7
291.19540	53.5
292.19852	2.6
309.20526	18.0
310.20724	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.90507	1.5
53.03943	2.2
55.01877	7.6
55.05511	39.8
57.03421	3.1
67.05506	20.1
69.03423	3.4
69.07072	13.7
71.04972	1.6
71.31575	2.8
71.31916	1.8
73.97863	1.4
74.29523	1.4
79.05488	20.2
81.03403	4.3
81.07056	31.0
83.04958	4.8
83.08207	1.8
83.08620	19.4
85.06491	2.2
91.05476	15.8
93.07043	16.4
95.04971	10.0
95.08600	8.9
95.73067	1.4
97.06525	2.1
97.10172	28.8
99.04491	2.0
105.07029	9.9
107.04944	4.2
107.08595	17.4
109.02882	2.1
109.06521	2.1
109.10146	4.9
111.04435	3.5
111.08067	2.8
117.06998	5.5
119.08570	8.4
121.06491	4.1
121.10121	6.1
123.08068	10.2
123.11671	1.8
125.09612	18.8
129.06998	3.1
131.08589	6.6
133.06517	3.9
133.10118	5.0
135.08037	4.2
135.11665	2.5
137.09618	2.7
142.15125	1.5
143.08556	3.2
144.59290	1.7
145.10126	3.4
145.73888	1.5
147.08028	4.3
147.11673	5.7
149.09576	2.4
153.08954	1.6
153.12735	2.5
153.27985	1.7
157.10046	2.5
161.09599	3.2
162.10365	1.6
163.11186	4.4
165.09091	7.5
171.11705	2.3
175.11107	3.0
189.11267	9.2
207.13783	1.7
221.11873	1.8
223.13217	2.1
227.17685	1.7
245.18924	3.0
249.14682	3.0
273.18448	16.5
291.19537	100.0
292.19873	3.6
309.20569	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	13.5
55.01874	8.1
55.05510	11.7
57.03441	12.4
65.03941	2.9
67.05502	43.0
69.03422	4.4
69.07058	11.1
69.64492	9.7
71.04999	8.3
79.05018	1.5
79.05489	43.9
81.03419	26.3
81.07057	100.0
83.04974	7.0
83.08638	8.4
85.06532	6.3
90.48524	1.2
91.05480	21.9
93.07045	29.7
95.04967	13.6
95.08599	28.3
97.06521	8.4
97.10153	5.3
98.20775	2.8
99.08088	6.0
99.19204	1.9
103.05444	1.4
105.07027	21.9
107.04961	13.4
107.08588	17.8
109.06518	66.7
109.10146	10.0
110.06907	1.6
111.04433	3.0
111.08097	3.2
117.07005	9.9
119.08588	12.8
121.06489	8.0
121.10141	11.9
123.04410	2.3
123.08060	13.1
123.11747	1.9
125.05994	1.9
125.09638	2.7
125.38419	1.5
127.07516	1.5
128.06194	1.4
129.07022	5.3
131.08580	13.1
133.06499	3.8
133.10114	14.8
135.08032	14.1
135.11678	11.4
137.09625	2.7
139.11153	1.6
141.06969	4.0
143.08559	5.8
145.06476	5.4
145.10146	10.0
147.04443	2.7
147.07996	3.2
147.11693	2.3
149.09612	5.3
149.13269	4.2
151.11206	3.0
153.09123	1.6
155.08574	1.8
157.10123	5.0
159.08051	3.2
159.11679	9.3
161.09615	3.4
161.13272	1.5
167.10672	2.0
169.10100	4.2
171.11713	1.9
173.13222	4.2
175.11172	1.7
177.12741	4.4
179.10632	1.6
183.11740	2.7
185.13277	2.0
187.11191	5.9
187.14780	1.5
189.12788	2.3
195.13739	3.7
199.14796	3.7
201.12715	2.6
205.12178	2.3
217.15941	8.5
219.13936	2.1
221.15392	4.2
227.17903	1.8
235.16994	1.9
241.14427	5.3
245.18893	2.3
255.17464	3.3
263.19940	3.1
273.18521	13.9
291.19525	40.0
292.19769	2.7
309.20581	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	309.2056
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.11440	1.9
55.01862	6.6
55.05493	9.6
55.70917	2.0
57.03154	2.4
57.03430	36.2
57.07066	3.6
67.05501	36.1
69.07050	8.7
70.33009	1.8
70.70222	4.2
71.05000	2.4
71.08675	1.9
76.85799	2.1
79.05497	24.0
81.07040	20.9
83.08616	4.0
85.06537	32.7
91.05469	24.4
92.77586	2.0
93.07034	17.1
95.04951	40.1
95.08599	13.5
99.04346	2.4
105.07001	14.8
107.04948	4.0
107.08585	16.8
108.42844	2.0
109.06513	42.8
109.10156	4.9
113.05995	100.0
113.06792	5.1
117.07026	8.6
119.08556	9.1
121.10132	8.6
123.08058	3.0
123.11672	2.3
129.06956	4.3
131.08549	12.7
133.10133	8.9
135.08043	34.6
135.11667	4.4
143.08604	5.0
145.10117	7.0
147.04340	2.3
147.08026	5.1
147.11667	2.7
149.09552	3.8
149.13231	2.8
157.10123	5.3
159.11691	4.8
161.09589	4.7
163.11180	2.4
199.14792	4.3
217.15833	9.9
273.18558	14.4
291.19525	34.0
309.20880	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	9.0
55.01875	9.5
55.05508	31.2
57.03433	6.6
57.07067	3.8
64.62309	1.7
67.05172	2.7
67.05502	32.4
69.03418	3.2
69.07067	18.6
71.04997	1.8
71.31387	2.9
79.05065	1.1
79.05483	42.2
81.03426	15.7
81.07050	100.0
83.04972	12.1
83.08618	13.9
85.02888	3.9
85.06536	2.6
88.88850	1.6
91.05473	15.9
93.07033	24.3
95.04974	11.9
95.08592	23.9
97.06520	7.5
97.10166	17.1
99.08092	5.2
105.07024	14.3
107.04944	4.7
107.08610	13.3
109.06509	45.1
109.10155	12.0
111.04433	7.6
111.08079	4.2
115.05387	1.8
117.07046	8.6
119.08588	13.1
121.06519	5.5
121.10152	8.8
123.04398	2.2
123.08054	22.3
123.11703	1.7
125.06030	2.6
125.09628	15.0
129.06989	2.4
131.08585	10.8
133.10147	7.3
135.08037	8.7
135.11656	8.5
137.09615	4.2
143.08595	2.5
145.10121	7.6
147.08083	3.0
147.11725	3.3
149.09607	5.4
149.13251	2.0
153.12833	2.5
157.10132	2.9
159.11691	3.7
161.09671	3.2
163.11159	13.5
165.09090	5.6
165.12720	2.6
171.10251	2.1
175.11227	3.3
177.12749	2.3
181.12225	3.8
189.11214	9.3
191.10677	4.2
193.12274	6.3
206.69127	2.0
217.15842	4.2
223.13332	3.2
227.12740	2.1
245.19019	2.2
247.80833	1.8
249.15092	2.0
255.17308	2.7
258.32626	1.8
266.21146	4.2
269.08124	5.6
273.18460	13.5
273.25980	1.7
291.19504	40.3
309.20526	13.7
309.27850	2.5
310.04895	14.2
319.05508	4.5
327.95956	1.9
330.56186	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	5.2
55.01874	14.9
55.05508	73.5
57.03431	8.4
57.07073	7.7
57.07305	1.3
58.24497	1.2
59.05000	4.1
67.05501	58.8
69.03422	13.3
69.07063	32.5
69.84470	6.8
70.04066	2.6
71.05002	7.1
71.08625	2.2
79.05491	54.6
79.63616	1.2
81.03423	15.2
81.07052	87.1
83.04974	17.6
83.08615	37.3
85.02905	3.2
85.06538	7.9
91.05473	32.1
91.06014	2.5
92.05779	1.5
93.07039	51.7
95.04963	40.4
95.08599	66.7
97.02882	2.6
97.06528	10.8
97.10162	53.1
98.20820	2.0
99.04440	1.7
99.08091	4.7
101.09656	2.2
105.04514	1.5
105.07023	32.6
106.07300	1.5
107.04990	7.1
107.08587	34.4
109.06524	8.7
109.10150	20.6
111.04432	6.8
111.08083	10.7
113.05960	2.4
115.05489	1.4
117.06999	9.7
119.08572	24.5
121.06502	6.9
121.10133	18.5
123.04448	2.1
123.08060	100.0
123.11693	14.7
124.08384	1.3
125.06010	3.3
125.09622	46.9
127.11203	2.0
129.07021	3.7
130.07790	1.3
131.08559	15.3
133.06467	3.6
133.10130	17.8
135.04443	1.5
135.08055	8.1
135.11702	9.5
137.09616	11.5
139.11185	5.2
141.12630	1.4
143.08583	3.8
143.10648	2.8
145.10110	12.7
147.08047	8.1
147.11699	7.1
149.09583	6.5
149.13260	3.9
151.11206	4.2
153.09114	4.9
153.12781	3.4
155.08545	1.7
157.10117	6.9
159.11691	4.4
161.09657	5.6
161.13271	2.8
163.11174	13.5
165.09116	9.9
165.12820	1.7
166.66548	1.3
169.10129	1.8
169.12239	7.8
171.10194	3.1
171.11667	3.8
173.09607	2.5
173.13290	1.6
175.11153	6.6
175.14873	1.4
177.12733	3.4
181.12267	5.4
183.10204	1.5
183.11682	2.2
185.13283	2.9
187.11166	1.8
187.13283	7.5
187.14801	2.4
189.11221	31.4
189.12849	1.6
191.10658	1.4
193.12265	10.1
211.13336	5.4
213.16417	2.6
217.15793	1.7
223.13347	5.4
227.12668	2.0
227.17966	2.0
233.15451	1.8
235.13237	1.4
237.16399	1.7
237.18588	1.6
245.19051	3.5
247.16954	2.7
249.14973	1.8
255.17551	3.8
263.20053	3.7
268.28986	1.6
273.18491	32.7
286.10498	3.3
291.19540	50.8
292.19815	2.6
304.11435	3.8
309.16745	17.4
309.20572	14.1
309.27887	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03933	5.3
55.01864	8.8
55.05508	32.1
56.96542	4.6
57.03437	54.5
57.07072	6.6
59.05005	2.4
65.01595	2.7
65.03928	3.3
67.05167	4.4
67.05502	48.7
69.03429	10.4
69.07063	20.8
69.84476	11.6
69.84891	3.6
71.04984	16.2
73.93400	2.3
79.05491	62.9
81.03427	5.4
81.06584	5.3
81.07058	100.0
83.04975	10.2
83.08625	15.2
84.48395	2.5
85.06551	13.4
91.05480	42.7
93.07041	55.6
95.04963	20.9
95.08603	41.4
97.06532	22.8
97.10185	8.3
98.21443	2.8
99.08083	43.2
99.08675	3.9
99.98974	2.5
100.11271	5.4
103.05499	3.1
103.25648	2.2
105.07030	41.5
107.04961	17.9
107.08590	33.0
109.06510	24.1
109.10149	21.5
111.04426	5.4
111.08078	8.0
113.06004	7.7
117.07027	26.0
119.08572	33.0
121.06510	9.9
121.10148	17.5
123.04473	2.4
123.07300	2.4
123.08092	10.6
123.11706	5.7
125.09629	5.1
127.07539	8.8
129.06990	13.1
131.08568	27.9
133.06468	3.6
133.10156	19.3
135.06866	2.0
135.08075	14.7
135.11681	12.7
137.09676	5.3
137.13216	2.6
141.06956	2.7
143.08542	10.0
145.06497	3.3
145.10126	25.8
147.04401	2.6
147.08047	9.5
147.11653	11.8
149.09608	10.2
149.13243	7.7
151.11137	6.6
155.08560	4.1
157.10107	13.5
159.11746	15.2
161.09645	7.6
161.13284	4.9
163.11174	7.3
169.10135	3.3
171.11691	9.0
173.13286	7.8
175.11246	5.9
177.12737	6.6
183.11661	8.5
185.13237	4.5
189.04434	4.8
189.16273	2.9
191.14302	5.7
199.14825	4.6
201.12733	10.2
207.17490	3.2
217.15881	10.3
219.13762	9.7
221.15375	3.8
223.13419	2.8
227.17955	4.1
231.09062	7.1
235.16962	5.9
245.18956	5.4
263.20047	7.4
273.18515	28.8
291.19543	48.1
309.20322	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	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05034	2.3
57.98782	0.9
58.99582	21.4
61.01150	0.3
65.56744	0.3
67.14297	0.4
70.04070	0.6
70.82448	1.0
73.01147	0.6
76.02221	100.0
76.03976	3.3
80.05015	1.5
83.06088	1.0
84.04497	44.2
85.02903	0.4
86.99048	4.4
88.02206	2.4
93.89112	0.4
95.56291	0.3
99.33038	0.3
102.05545	1.0
114.03775	1.3
114.05572	0.4
114.38607	0.4
116.01668	24.3
124.02280	0.5
130.04994	12.5
139.03876	2.6
140.04218	1.8
141.04816	1.0
142.03210	10.6
142.04271	0.5
144.01138	10.5
146.02794	0.6
148.03941	0.3
162.02190	40.2
163.02557	0.4
163.03931	0.4
169.40829	0.4
170.02676	3.1
179.04839	36.9
187.05350	1.8
188.03758	0.6
199.05396	0.8
205.06421	0.4
215.04787	2.5
216.03200	0.4
233.05894	12.0
245.05894	2.7
275.51794	0.4
282.37399	0.4
290.08105	0.8
291.06369	2.5
308.09125	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	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03932	2.6
55.05505	20.9
57.07076	10.3
57.56618	2.1
67.05502	33.4
69.03407	2.6
69.07066	35.2
71.08611	4.2
76.02203	5.7
79.05485	27.9
81.07053	88.9
83.04954	2.4
83.08601	17.2
84.04499	4.0
85.02884	2.4
85.06548	3.2
91.05472	23.3
93.07032	40.3
95.04952	8.2
95.08599	100.0
97.06487	2.6
97.10177	9.1
105.07023	27.6
107.04893	4.9
107.08585	33.2
109.06501	8.7
109.10150	45.3
111.08073	3.5
111.11713	7.7
115.22712	1.9
116.98607	1.9
117.06999	5.1
118.32343	1.8
119.08575	18.8
121.06483	3.7
121.10148	26.8
123.08038	5.1
123.11696	29.2
125.09618	2.9
125.13275	2.8
127.07539	8.8
131.08563	6.4
133.10112	17.8
135.08040	4.1
135.10043	2.1
135.11684	18.9
137.09608	4.5
137.13237	20.6
139.11189	3.1
141.09053	3.1
145.06528	2.8
145.10091	9.9
147.11656	15.8
149.13278	16.2
151.11189	3.4
151.14809	8.4
155.10608	3.8
159.08032	2.7
159.11707	8.1
161.13228	10.7
163.07664	2.1
163.11183	3.3
163.14821	13.0
165.07005	2.6
165.12737	6.9
165.16420	3.8
169.10085	2.6
173.13263	6.4
175.14824	7.0
177.16360	4.0
178.15839	6.7
179.04681	2.3
179.14360	3.0
187.14854	2.1
189.07010	4.7
189.16322	5.7
190.07806	3.6
191.08578	3.9
191.17960	3.9
201.16360	3.2
202.07625	2.5
206.07210	3.7
207.08127	4.4
208.08675	2.9
215.17932	4.3
218.07222	6.7
219.07965	9.8
220.08784	4.6
221.05910	7.1
223.11116	2.2
235.07494	11.3
236.08296	7.8
245.22549	2.8
247.07423	6.9
248.08369	2.0
249.05463	4.0
249.09319	2.1
251.10631	20.1
263.06937	6.9
264.07748	20.8
271.24127	15.6
277.05103	2.0
277.08575	3.2
278.09335	4.4
279.10129	6.6
289.25250	12.4
292.07178	10.1
293.07986	5.5
307.09653	28.5
307.15417	8.4
307.19159	1.8
307.26227	29.8
308.10291	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	307.263
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03944	2.7
55.01860	4.8
55.05507	42.3
56.96594	4.0
57.03422	3.3
57.07070	23.2
59.04995	4.1
60.07509	2.5
65.03946	3.9
65.36070	2.8
67.05497	40.4
69.03435	7.4
69.07064	100.0
69.44102	6.0
69.44504	17.4
71.04985	6.8
71.08627	9.5
76.02209	3.4
76.60558	2.9
79.05495	25.2
81.03401	5.2
81.07056	83.7
83.04979	13.2
83.08620	36.7
85.06524	4.9
87.04479	3.7
91.05466	23.5
93.07040	67.9
95.04959	19.5
95.08602	92.7
97.06548	16.3
97.10159	17.8
98.20549	3.2
99.08112	2.8
105.07038	20.4
107.04980	4.7
107.08589	41.7
109.06510	10.1
109.10149	42.1
110.29493	3.1
111.08083	12.3
111.11706	13.1
117.07040	5.2
119.08588	19.0
121.06509	6.8
121.10139	39.6
123.08068	7.6
123.11707	25.1
125.09618	7.2
131.08568	10.3
133.10146	16.7
135.08093	3.2
135.11690	23.1
137.09631	5.2
137.13226	6.2
139.11145	5.0
145.10078	15.2
147.11697	8.1
149.09605	5.9
149.13266	17.3
151.11188	3.9
159.11703	14.2
161.13243	7.7
163.11220	4.8
163.14832	6.5
167.10733	2.7
167.14351	4.2
170.46471	2.8
173.13208	2.9
175.14836	6.8
177.12717	3.6
177.16415	6.1
179.04982	2.9
187.14870	5.9
191.17923	4.8
201.16461	4.2
209.19028	5.5
244.39961	2.8
245.22792	2.9
271.24222	11.6
289.25195	15.1
292.07330	4.2
307.09802	4.9
307.26266	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03932	3.7
55.01867	2.4
55.05505	20.6
55.86042	1.4
57.03428	1.5
57.07076	10.8
65.03919	2.4
67.05503	37.2
69.03412	2.2
69.07066	36.9
69.87326	7.6
71.08618	2.9
75.08331	1.9
76.02219	2.4
79.05489	25.5
81.07049	85.3
83.04985	2.6
83.08614	21.0
85.06523	1.9
91.05479	18.3
93.07038	41.2
95.04950	4.6
95.08602	100.0
96.02377	1.8
97.06524	2.3
97.10168	10.7
103.05456	5.1
105.07021	28.3
107.08585	35.9
109.06503	6.4
109.07220	1.7
109.10144	53.3
111.08064	2.9
111.11719	6.7
115.07547	1.9
115.88766	1.6
117.07000	4.2
119.08583	18.2
121.06519	2.7
121.10136	29.8
123.08061	3.4
123.11700	34.9
125.09653	3.1
125.13302	2.1
127.07544	5.3
129.07118	1.9
131.04929	10.6
131.08560	6.9
133.10114	16.5
135.11668	22.3
137.09616	4.4
137.13248	20.2
139.11151	2.2
145.10083	10.1
147.11659	14.4
149.13257	18.8
151.11189	3.7
151.14836	7.1
153.12779	2.0
155.10638	1.9
159.11693	6.9
161.13258	8.7
163.11209	3.9
163.14799	12.5
165.12749	6.6
165.16376	1.9
173.13287	3.7
175.14786	9.6
177.16394	7.6
179.14308	1.9
181.60313	1.4
187.14813	3.4
189.07121	1.8
189.16359	4.7
191.17886	1.9
193.15871	2.5
201.16338	4.7
203.17821	1.9
215.18007	4.7
236.08179	1.6
245.22641	2.2
247.24268	1.9
249.05238	1.9
251.10626	2.8
264.07944	4.4
271.24164	18.9
289.17923	2.7
289.25253	15.9
292.07236	3.4
307.09622	7.4
307.15454	4.2
307.26279	34.9
308.10126	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	2.6
55.05502	13.3
56.34020	1.6
57.07078	3.5
58.99569	5.3
60.51417	1.9
65.03902	2.1
67.05496	27.2
67.80299	1.8
68.07505	2.2
69.03405	6.0
69.07062	51.3
70.04035	1.8
71.04978	4.1
71.56973	2.8
71.57332	2.4
76.02222	25.4
76.95557	1.7
79.05490	20.3
80.82223	1.9
81.07053	100.0
83.08609	8.2
84.04488	11.4
85.06526	8.1
86.09740	1.8
91.05474	11.6
92.27641	2.0
93.07047	25.9
95.04946	5.4
95.08601	67.3
97.06520	8.8
97.10154	5.5
99.08085	4.4
105.07027	18.6
107.08585	32.3
109.06534	11.0
109.10146	45.7
111.08069	7.4
111.11727	3.6
113.09621	3.6
116.01661	6.0
117.07030	4.2
119.08573	19.3
121.10149	20.8
123.08092	2.0
123.11706	15.5
125.09621	4.0
130.04982	4.6
130.06520	2.6
131.08528	2.9
133.10115	13.0
135.11656	11.0
137.05972	2.5
137.13234	2.8
139.11174	17.1
142.03151	2.1
145.10091	5.8
147.11702	10.6
149.13258	10.6
151.11179	15.0
158.06015	3.5
159.11700	5.6
161.13277	9.6
162.02170	8.7
163.14839	4.4
165.12738	2.8
169.12218	7.0
169.66199	1.8
173.13243	3.4
175.08687	2.3
175.14842	2.2
177.16335	3.6
179.04834	8.7
189.16393	8.4
191.17883	2.3
201.16382	2.5
203.17935	7.1
207.17480	2.1
210.70551	2.2
215.17982	4.6
219.08127	3.2
233.05766	2.3
267.47263	1.9
277.25162	7.3
289.25278	9.2
292.07370	3.1
307.09607	6.8
307.16077	2.7
307.26321	7.7
308.09668	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	307.2628
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
54.39571	1.8
55.05509	44.0
57.07072	25.9
59.04972	2.7
67.05499	26.3
69.03433	4.9
69.07063	100.0
70.28111	5.9
70.28532	4.0
71.04974	2.4
71.08622	7.3
79.05500	17.5
81.03399	4.5
81.07051	67.8
83.04985	24.5
83.08612	37.1
85.06550	3.0
85.10199	3.6
91.05463	11.5
93.07034	27.5
95.04966	7.4
95.08602	55.6
97.06525	21.8
97.10168	20.3
105.07032	13.9
107.08586	26.4
109.06512	6.7
109.10151	27.3
111.08080	2.5
111.11723	12.0
116.19844	2.2
119.08567	12.7
121.06519	2.9
121.10136	27.5
123.04489	2.2
123.08096	3.3
123.11668	11.6
125.09685	1.9
125.13282	2.8
131.08582	5.8
133.10133	7.3
135.08075	5.2
135.11673	17.7
137.09599	2.8
137.13229	2.8
139.11134	3.4
145.10144	5.8
147.11671	6.5
149.09583	2.8
149.13248	14.0
153.12715	1.9
159.11694	8.3
161.13301	7.5
163.11113	3.4
163.14847	4.7
163.41432	1.9
167.10672	3.9
175.14867	2.2
177.16397	2.3
181.42244	2.0
189.16408	3.3
191.17949	5.6
201.16463	2.1
205.19572	1.9
245.22801	4.0
271.24182	4.5
289.25159	5.9
307.26550	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	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03936	3.7
55.01854	1.7
55.05508	36.2
57.03432	2.0
57.07074	19.9
58.48607	1.4
59.04982	1.8
67.05499	20.2
69.03416	3.5
69.07068	100.0
69.50583	5.1
69.50997	8.5
69.87389	1.5
70.06583	2.3
71.04977	5.6
71.08621	9.6
78.96662	1.3
79.05495	18.5
81.03410	3.2
81.06582	3.3
81.07055	65.7
83.04982	25.3
83.08150	1.9
83.08621	27.6
85.06551	2.9
85.10162	4.5
91.05472	10.7
93.07038	25.5
95.04960	6.4
95.08604	54.1
97.06527	20.8
97.10165	18.7
98.21497	3.1
105.07018	14.9
107.04887	1.7
107.08591	23.5
109.06497	5.5
109.10147	27.7
111.08070	4.0
111.11720	12.9
112.78365	1.5
119.08556	12.6
121.06519	2.0
121.10132	20.6
123.08061	3.7
123.11685	11.2
125.09632	2.4
125.13236	1.6
131.08562	6.8
133.10120	7.2
134.67709	1.7
135.08035	5.6
135.11685	17.0
137.09566	2.0
137.13297	3.2
139.11140	3.5
145.10091	8.6
147.11664	6.4
149.09695	1.7
149.13264	11.1
159.11700	5.9
161.13242	5.4
163.11111	2.8
163.14818	6.1
164.02098	1.6
167.10655	3.2
169.09940	1.5
173.13251	3.4
177.12871	1.9
177.16393	3.9
189.16479	1.9
191.17993	5.0
201.20447	2.1
205.19382	1.8
209.19000	2.3
229.19225	1.8
245.22920	5.8
251.10968	2.4
261.25757	2.2
271.24249	5.7
279.26926	1.6
289.25250	6.3
307.09430	2.1
307.26535	17.3
327.62729	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.9
55.01873	26.8
55.05511	56.2
56.56953	2.2
57.03442	18.1
57.07078	6.3
59.04992	3.0
62.49908	2.3
63.84984	2.2
65.03934	3.4
67.05507	74.9
69.03421	6.0
69.06719	4.0
69.07066	42.7
69.77258	18.5
70.10084	2.9
71.05002	9.4
71.08604	2.8
76.02238	3.8
79.05491	75.7
81.03415	17.5
81.06580	5.7
81.07059	100.0
83.04986	25.6
83.08624	26.2
85.06548	5.4
91.04975	4.2
91.05484	52.6
93.07042	67.8
95.04973	33.5
95.08605	49.8
97.06536	26.7
97.10173	29.1
105.07030	62.8
107.04955	38.3
107.08593	72.2
109.06531	34.3
109.10140	23.1
111.04411	9.4
111.08080	7.1
117.07021	20.8
119.08588	33.9
121.02866	9.8
121.06506	25.8
121.10146	25.5
123.04429	5.2
123.08070	21.0
123.11700	8.8
125.09628	27.3
129.06981	5.8
131.08575	22.4
133.06532	7.1
133.10136	31.2
135.08057	23.4
135.11726	16.3
137.09618	13.3
139.11232	4.2
143.08521	6.6
145.06471	6.5
145.10117	29.9
147.08072	6.2
147.11691	19.9
149.09615	31.2
149.13219	6.2
151.11197	8.2
153.09094	8.0
155.08528	4.0
157.10168	8.4
159.08075	6.2
159.11664	16.4
161.09648	5.6
161.13287	7.6
163.07530	23.3
163.11189	19.2
165.09093	5.7
165.12790	2.8
169.10109	6.8
171.11809	7.0
173.09625	7.8
173.13290	8.9
174.75934	2.9
175.11174	5.2
175.14812	3.7
177.09093	5.7
177.12799	4.6
179.14232	4.3
180.09462	2.6
183.11720	5.7
185.13335	4.0
187.11212	3.9
187.14862	5.2
189.12747	5.2
191.10660	3.1
191.14261	5.3
197.13298	4.0
203.12735	10.3
215.14345	3.8
219.13797	12.5
229.19586	7.2
233.15363	8.1
239.18010	4.6
241.14444	3.2
243.17494	4.2
247.20569	8.2
257.19089	15.3
261.18500	11.2
271.17056	6.7
275.20078	84.7
288.32196	2.8
289.18051	51.7
289.21509	7.1
307.19016	25.5
307.22745	27.2
307.26175	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.07809	1.5
53.03934	3.6
55.01861	4.2
55.05507	21.4
56.96563	1.8
57.03426	4.3
57.07064	3.2
59.05000	2.4
65.03942	2.3
67.05173	2.9
67.05503	34.7
69.03413	2.6
69.07063	19.8
70.04069	3.9
70.53461	1.6
70.53794	4.7
71.04978	10.7
73.06561	2.8
76.02214	4.7
79.05485	32.4
81.03414	4.3
81.07048	36.5
83.04967	5.1
83.08609	8.5
84.04495	2.6
85.06533	6.4
87.04468	3.1
91.05467	44.0
91.06020	3.2
93.06477	2.5
93.07040	32.0
94.04174	1.6
95.04986	10.6
95.08604	25.8
97.06530	8.4
97.10146	7.5
99.08069	2.3
103.05462	3.0
105.07030	45.9
107.04964	4.1
107.08589	24.9
109.06511	20.2
109.10159	16.9
111.04418	2.7
111.08074	3.3
115.05430	2.4
117.07013	12.4
119.07718	2.1
119.08572	40.4
121.02853	11.3
121.06519	13.5
121.10143	15.1
123.08054	14.2
123.11693	4.2
125.09600	5.4
127.03901	1.6
129.07002	2.8
131.08559	18.6
133.06490	2.4
133.10129	29.1
135.08032	9.6
135.11694	6.4
137.09607	11.5
137.13333	2.2
139.11142	3.0
141.06892	2.0
143.08536	2.7
145.10097	13.2
147.08015	2.8
147.11691	19.7
149.09610	8.3
149.13293	3.6
151.07491	1.8
151.11165	18.3
155.08525	3.4
157.06473	1.5
157.10118	4.1
159.07974	2.9
159.11687	10.2
161.09583	2.9
161.13280	6.5
162.02226	2.2
163.07538	2.3
163.11142	10.5
165.12770	11.1
169.10098	3.3
171.11725	3.8
173.13271	7.8
175.14758	2.0
177.05457	2.1
177.12711	2.9
179.04990	1.9
179.14290	4.0
183.11685	2.0
185.13248	1.8
187.11253	3.0
187.14803	4.1
189.12665	2.7
191.14211	2.0
197.13326	4.6
205.15799	2.4
213.05550	2.5
215.14345	2.3
219.13757	2.2
229.19534	4.9
233.15335	4.4
237.14871	1.6
239.17969	10.4
247.20593	4.6
257.19043	9.8
261.18439	2.1
263.14569	1.5
275.20062	50.4
275.71906	1.6
276.20453	3.4
289.18027	7.4
289.21725	2.3
307.09787	5.6
307.19174	8.2
307.22681	100.0
308.22989	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.0
55.05499	27.0
56.17599	5.7
57.03417	7.1
67.05502	85.9
69.07057	18.2
70.04079	6.6
71.32012	7.6
74.41232	5.7
79.05500	48.0
81.03437	7.5
81.07056	67.9
83.04974	6.5
83.08620	10.4
91.05465	50.7
93.07039	49.5
95.04926	15.4
95.08604	37.0
97.06551	10.8
97.10175	6.9
105.07042	50.2
107.04967	11.3
107.08578	27.2
109.06475	6.9
109.10155	32.3
117.07018	21.2
119.08572	46.3
120.41729	7.0
121.06477	9.6
121.10126	15.9
123.08083	11.7
123.11700	7.4
129.06984	8.4
131.08563	23.3
133.10104	42.4
135.07996	6.8
135.11668	10.4
137.09581	10.2
145.06677	6.3
145.10094	12.6
147.11722	30.1
149.09618	11.7
151.11140	9.2
159.11711	17.7
173.13260	14.2
229.19373	6.4
247.20522	8.4
257.19028	10.8
275.20059	100.0
307.22824	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01863	5.8
55.05511	18.7
55.13023	1.8
57.03425	1.9
57.07061	1.7
65.03957	1.9
67.05500	41.2
69.03444	1.7
69.07064	28.6
69.64063	5.1
69.64475	7.7
70.04079	1.9
70.62399	1.7
71.04971	2.3
79.05491	28.2
81.07053	50.9
83.04974	10.8
83.08624	8.0
83.94975	1.8
85.06533	3.0
91.05473	27.1
93.07038	37.4
95.04968	14.3
95.08602	29.5
97.06534	5.9
97.10186	2.8
97.60642	1.9
98.20760	3.7
105.07019	35.2
107.04967	8.2
107.08599	21.8
109.06521	12.7
109.10166	10.1
111.08119	1.7
117.07033	8.7
119.08584	19.3
121.06496	12.6
121.10146	15.0
123.08086	7.6
123.11655	3.3
129.07016	2.5
131.08556	21.1
133.06473	5.0
133.10126	24.2
135.08070	6.7
135.11711	6.9
137.09615	5.7
143.08554	5.0
145.10115	15.2
147.08084	4.5
147.11667	18.2
149.09639	6.2
149.13234	4.2
151.11188	9.0
157.10088	3.9
159.11650	9.6
161.09581	2.5
161.13289	3.7
163.11169	7.9
165.12793	3.9
169.10236	2.0
171.11700	3.2
173.09666	3.1
173.13290	8.5
175.11224	4.4
177.12790	5.6
183.11676	3.8
187.11263	3.7
191.14337	5.0
197.13274	3.7
201.12747	3.6
207.13805	6.5
215.14261	2.9
215.17918	2.8
219.13771	6.2
229.19458	3.0
239.18033	3.6
247.20586	5.6
257.19064	12.0
275.20047	100.0
276.20398	5.3
289.21576	3.3
307.22702	42.9
308.22867	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.7
55.01869	55.7
55.05510	55.9
67.05509	75.3
69.07063	52.6
70.70895	13.8
70.71267	14.5
70.95901	5.5
74.10418	6.7
75.05711	6.1
75.72733	6.5
79.05498	87.2
81.03415	27.8
81.07060	87.5
83.04992	11.7
83.08618	22.6
91.05481	54.5
93.07053	59.9
95.01279	6.2
95.04971	14.6
95.08606	42.0
97.06537	100.0
97.10143	41.8
105.07038	49.4
107.04942	51.2
107.08592	66.6
108.79868	6.3
109.06497	11.4
109.10159	19.4
111.92437	6.2
117.07029	16.4
119.08594	26.7
119.27245	6.7
121.10154	15.8
123.08019	11.3
125.09643	47.4
131.08562	29.5
133.10127	36.8
135.08066	21.3
135.11745	13.9
145.10130	24.5
147.11708	15.4
149.09624	56.4
149.13300	10.7
151.11192	7.7
159.11714	20.0
163.11200	7.6
169.10165	7.2
173.13280	9.1
179.14296	9.0
187.11177	8.7
203.12860	37.7
204.30984	6.7
204.92244	7.1
219.17430	11.9
247.20584	10.3
257.18918	15.5
275.20059	94.1
300.41010	6.7
307.22678	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	5.2
55.01878	13.7
55.05511	31.7
57.03430	7.2
59.04987	3.0
64.58282	2.7
65.26349	2.7
67.05505	84.4
69.07069	24.7
71.04984	4.3
74.65917	2.8
79.05492	52.4
81.03400	7.6
81.06583	5.1
81.07054	100.0
82.10553	3.1
83.04980	10.9
83.08616	14.2
85.06529	4.9
91.05474	50.7
93.07045	49.0
95.04969	32.7
95.08601	49.7
97.06557	13.4
97.10148	7.0
98.21500	8.4
102.63253	2.6
105.07027	61.5
107.04936	12.9
107.08589	34.1
109.06503	20.1
109.10162	31.0
111.08060	6.8
117.06983	16.3
119.08575	59.2
121.02872	2.9
121.06500	7.4
121.10167	24.0
123.08053	18.1
123.11675	13.6
123.71647	3.1
125.09608	5.2
129.06999	4.3
131.08568	25.6
133.10123	41.2
135.08040	13.6
135.11699	13.5
137.09622	14.2
137.13194	3.5
139.11197	3.7
145.10101	18.8
147.07985	3.6
147.11667	27.1
149.09644	14.9
149.13240	5.1
151.11171	11.5
157.10149	4.8
159.11717	11.4
161.13278	5.9
163.11186	10.7
165.12778	6.7
167.26711	2.7
169.10173	2.9
171.11638	4.7
173.13307	7.4
175.11252	3.0
175.14812	4.1
177.12714	3.4
201.12730	5.3
205.15878	3.1
229.19492	6.9
229.53491	3.9
239.17923	5.0
247.20616	13.4
257.18994	13.8
275.20044	91.0
276.20419	5.4
289.21643	8.4
307.20026	2.9
307.22757	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	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.48344	3.8
52.69912	3.8
53.03938	10.5
53.76664	4.0
55.01867	25.9
55.05266	4.6
55.05507	41.8
57.03424	5.3
61.64702	4.9
63.95476	4.3
67.05500	66.3
69.03416	5.1
69.07065	32.6
70.12675	17.6
71.04976	16.3
79.05485	64.9
79.70171	4.0
81.03410	5.4
81.07050	73.9
83.04964	9.0
83.08587	18.4
85.06517	7.4
91.05479	49.2
92.85494	4.2
93.07038	55.1
95.04978	21.7
95.08604	41.0
97.06523	31.1
97.10147	18.0
99.08067	6.9
101.20212	4.7
105.07020	58.2
107.04957	16.3
107.08585	73.7
109.06511	59.7
109.10153	22.6
111.04443	67.3
111.08047	5.7
114.11861	3.8
117.06994	18.4
119.08584	36.4
121.06476	12.3
121.10135	20.7
123.08063	20.0
123.11667	9.3
125.09618	31.7
131.08565	24.3
133.10130	26.5
135.08049	19.4
135.11661	12.5
137.09637	12.2
143.08617	4.0
145.10094	21.6
147.11638	20.9
147.57718	4.6
149.09616	33.6
149.13185	7.6
151.11176	7.4
157.10115	7.6
159.11633	14.5
161.13202	7.5
163.11157	11.7
165.12680	11.1
169.10168	7.2
171.11703	5.6
173.13243	7.1
175.49596	4.3
177.12689	8.7
187.11037	6.4
187.14760	7.0
197.13260	4.0
203.12737	13.9
229.19391	6.5
239.17938	6.9
247.20357	9.9
251.16393	12.6
257.18973	16.2
275.20041	100.0
289.21622	18.9
307.22678	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01869	18.8
55.05510	34.1
57.03438	10.9
57.07062	5.5
65.03936	3.7
67.05502	82.9
69.03426	3.8
69.07068	35.0
70.04057	2.2
70.83917	6.6
71.04972	5.8
71.45498	2.5
73.06573	3.3
79.05489	69.1
81.03407	9.6
81.07053	98.5
83.04965	9.7
83.08617	19.7
85.06528	6.3
91.05481	58.7
93.07038	58.6
95.04967	54.2
95.08600	60.5
97.06532	16.8
97.10184	5.2
103.05464	3.3
103.83804	2.3
105.07028	59.0
107.04949	11.5
107.08588	34.2
109.06512	31.4
109.10151	30.6
111.08070	6.4
113.00039	2.3
115.05421	4.2
117.06982	19.4
119.08576	51.2
121.06483	7.0
121.10151	22.0
123.08054	30.9
123.11690	7.8
125.09634	7.0
128.06215	2.2
129.06998	7.2
131.08551	26.8
133.10112	36.6
135.08096	11.2
135.11696	10.5
137.09628	17.3
139.11267	2.6
141.07007	2.5
143.08551	4.6
145.10095	23.7
147.08081	2.8
147.11659	28.2
149.09599	23.0
149.13240	6.8
151.11159	11.1
155.08582	3.9
157.10121	6.9
159.11661	17.3
161.09575	2.9
161.13231	9.2
161.14507	2.3
163.11159	8.4
165.12749	9.2
169.10065	4.7
171.11664	7.4
173.13258	10.0
175.11163	5.7
177.05397	2.9
177.12703	5.7
183.11716	6.2
185.13292	4.5
187.11101	3.3
187.14914	4.3
191.14438	2.8
201.12714	6.6
203.12633	2.6
203.14417	3.4
215.14319	2.3
219.13866	2.6
219.17398	13.2
229.19554	6.2
233.15347	2.9
238.64624	2.3
239.17970	7.4
247.20546	12.8
249.17651	2.1
257.19058	17.4
263.20117	3.6
275.20038	100.0
276.20502	4.1
289.18610	2.3
289.21603	12.7
307.19376	3.8
307.22641	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	27.4
55.05509	34.0
57.03432	4.7
67.05505	52.9
69.03445	3.1
69.07060	23.8
70.12031	13.9
71.04994	4.4
79.05486	60.6
79.25541	2.3
81.03423	6.5
81.07048	51.6
83.04967	4.3
83.08620	17.1
85.06519	4.1
91.05477	42.9
93.07043	37.5
95.04966	16.2
95.08601	35.6
97.06535	24.0
97.10179	19.5
98.20689	2.8
105.07008	43.9
105.07655	2.5
107.04933	17.3
107.08586	68.1
109.06516	16.8
109.10154	20.0
110.30956	2.4
111.08037	2.9
117.07019	14.1
119.08590	27.3
121.06495	5.0
121.10110	19.4
123.08067	8.7
123.11720	5.0
125.09624	24.1
129.06963	3.1
131.08560	16.1
133.10115	24.8
135.08076	13.5
135.11693	11.1
135.63875	2.7
137.09608	6.8
137.61568	2.6
143.08514	3.3
145.10141	20.1
147.08110	3.4
147.11673	19.4
149.09608	29.8
151.11208	13.1
153.09067	5.1
157.10124	4.2
159.11653	12.6
161.13293	5.0
163.11214	10.1
165.09132	4.1
165.12744	9.7
166.73276	2.8
173.13295	5.5
177.12697	4.9
179.14319	2.8
183.11737	3.8
187.11226	5.2
197.13194	3.3
203.12830	10.8
229.19583	6.9
239.18039	8.0
247.20624	10.6
257.18970	13.5
275.20062	100.0
289.21655	6.6
307.22699	25.0
307.28192	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
54.42785	1.5
55.01869	14.6
55.05510	46.0
55.99421	1.5
57.03430	3.4
57.07060	1.5
59.05014	2.2
65.03918	2.4
67.05502	34.8
69.03419	4.9
69.07061	13.9
69.34331	1.5
69.49317	12.3
70.04084	3.2
71.04970	2.3
74.91238	1.6
76.63217	1.4
79.05489	61.3
80.05850	1.9
80.31670	1.6
81.03417	3.7
81.07056	35.6
83.04971	7.6
83.08619	17.2
86.81454	1.5
91.05473	36.7
93.07041	43.2
95.04966	14.0
95.08038	2.5
95.08604	21.6
97.06535	17.0
97.10162	32.1
103.05426	2.0
105.07023	44.1
106.99647	1.4
107.04967	18.1
107.08587	100.0
108.08905	2.0
109.06505	10.4
109.10165	12.9
111.08067	6.0
117.07023	10.6
119.08570	22.7
121.06489	3.9
121.10133	13.8
123.08059	5.4
123.11739	2.4
125.09631	41.6
129.06998	3.2
131.08542	13.7
133.10120	22.0
134.34634	1.6
135.08072	13.8
135.11676	7.6
137.05975	2.9
137.09596	4.8
138.06290	3.6
143.08562	3.6
143.10658	1.9
145.10139	19.6
147.08069	2.7
147.11690	16.1
149.09616	39.2
149.13242	3.1
151.11171	4.5
153.09091	6.4
155.08508	1.7
157.10121	3.2
157.12238	3.5
159.11702	13.7
161.09569	2.1
161.13225	6.3
163.11136	8.6
165.09052	2.1
165.12804	2.1
169.10059	2.3
171.10156	3.1
171.11568	3.0
173.11784	2.5
173.13210	5.1
175.11134	2.4
177.12756	4.1
179.04979	1.9
181.12212	2.8
183.11638	3.9
185.13264	2.1
187.11169	3.4
190.72693	1.7
197.13197	2.5
203.12755	20.8
215.14380	2.2
229.19566	4.0
239.18018	7.7
247.20590	5.6
257.18973	12.3
275.20047	78.5
276.20450	2.9
289.21664	8.4
307.19409	2.3
307.22723	13.2
307.28207	2.8
325.16577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
55.05504	86.8
56.96542	14.5
57.03429	35.9
67.05506	79.9
69.03390	17.3
69.07062	37.3
71.30890	30.3
75.48858	11.2
79.05505	78.0
81.07059	76.2
83.04984	20.2
83.08617	30.8
91.05481	45.2
93.07067	64.7
95.04958	37.8
95.08592	53.8
97.06517	16.2
97.10150	34.5
105.07034	67.2
107.04955	23.7
107.08589	62.3
109.06508	18.4
109.10150	49.5
117.06959	20.2
119.08559	46.7
121.02901	21.2
121.06534	24.2
121.10142	33.5
125.09631	30.1
129.06990	14.9
131.08569	37.1
133.06491	18.4
133.10152	27.4
135.08075	27.5
137.06061	14.1
137.09642	18.3
143.08597	19.6
145.10175	29.8
147.08000	14.3
151.11290	14.7
155.08533	15.4
157.10042	29.9
159.08073	36.9
161.09633	24.4
163.07578	15.7
169.10130	26.9
173.13255	20.9
179.08659	13.8
181.10020	14.7
183.11581	14.9
184.16400	11.2
185.13324	16.8
187.14760	17.3
192.09407	13.8
193.10094	15.8
195.11716	27.2
207.11646	23.4
208.12567	13.3
209.13239	19.0
211.14906	16.4
211.42598	13.3
223.14880	15.7
233.15399	20.7
251.14276	14.5
261.18600	23.1
268.99030	13.3
271.17084	29.3
281.65991	12.8
289.17859	100.0
307.20279	63.1
307.24088	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	307.2053
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.36036	2.3
55.01859	7.1
55.05499	11.3
57.03440	4.4
64.43840	2.4
65.30096	2.5
67.05503	16.5
69.03420	3.0
69.07069	13.8
70.04063	2.5
71.04984	3.3
71.38420	3.2
71.38731	3.8
76.02229	4.6
78.28632	2.1
78.90295	2.4
79.05470	15.5
81.07045	29.4
83.04980	5.5
83.08633	5.2
91.05476	30.5
93.07044	23.7
95.04949	22.6
95.08572	13.5
97.06525	14.4
105.07018	40.1
107.04945	5.4
107.08590	14.5
109.06522	7.3
109.10143	7.2
111.08124	2.4
115.05502	2.7
116.06251	3.2
117.07015	11.3
119.08575	33.2
121.02871	3.4
121.06491	5.1
121.10139	10.1
123.11709	4.1
125.27431	2.6
128.06177	14.0
129.06998	13.7
130.07816	4.6
131.08572	21.3
133.10109	48.6
135.08057	3.9
141.07004	7.6
142.07756	13.2
143.08560	36.7
144.09338	6.1
144.29321	2.5
145.06500	3.7
145.10117	28.8
147.08061	10.9
147.11676	6.9
149.09599	3.3
153.07008	5.7
154.07695	4.5
155.08537	10.4
156.09355	11.1
157.10149	26.6
158.10918	5.3
159.08081	5.6
159.11674	19.6
161.09659	6.0
163.11122	3.2
165.06987	5.5
167.08565	13.0
168.09303	5.8
169.10098	20.9
170.10863	4.5
171.11728	19.4
173.13271	17.0
178.07727	3.1
179.08600	8.9
180.09377	5.1
181.10109	12.7
182.10944	10.4
183.11659	12.6
185.09566	3.6
185.13281	6.2
187.11179	6.2
192.09366	7.2
193.10143	16.6
194.10930	7.1
194.44711	3.0
195.11635	19.5
196.12448	4.7
197.13264	23.2
198.14020	3.5
199.14807	6.3
204.09413	4.1
205.10165	7.0
206.10962	12.4
207.11649	22.6
208.12512	10.7
209.13297	15.4
211.14867	10.3
217.10101	6.3
218.10905	5.9
219.11638	12.5
220.12540	7.0
221.13226	27.8
223.11339	4.2
223.14848	16.8
227.14360	2.6
232.12480	5.7
233.13258	12.6
234.14066	8.7
235.14679	6.2
237.12611	3.5
237.16391	11.0
242.76788	2.7
244.12378	4.8
245.13437	5.7
246.14151	4.0
247.14809	8.5
248.15590	9.6
249.16492	12.0
251.14366	7.1
251.17964	3.5
259.14771	13.2
260.15631	3.1
263.17950	27.3
265.15918	3.6
265.19391	2.8
274.17249	6.1
277.15918	3.4
279.21072	8.7
289.19733	23.3
298.46924	3.0
307.20572	100.0
308.20767	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03943	8.9
55.01873	19.2
55.05508	52.4
56.96537	2.1
57.03432	37.8
57.07072	4.2
59.05002	2.8
59.28435	1.9
59.28736	1.8
65.03929	3.6
67.05499	60.9
69.03423	13.0
69.07056	22.0
70.87045	4.7
70.87379	4.2
71.04991	9.9
71.49090	1.9
76.02216	5.6
76.32387	1.9
79.05486	59.2
81.03413	16.9
81.07053	70.2
82.62454	1.8
83.01335	2.9
83.04972	38.1
83.08614	21.5
84.04490	2.8
85.02846	2.2
85.06541	4.9
91.05472	51.1
93.03392	2.3
93.07039	49.3
95.04964	22.1
95.08597	38.9
97.06530	16.7
97.10168	15.4
99.04459	3.5
103.05444	3.4
105.07022	42.8
107.04944	37.5
107.08591	38.8
109.06501	24.9
109.10139	16.7
111.04436	27.3
111.08076	5.6
113.05995	5.6
115.05468	2.9
117.07005	20.5
119.04993	2.6
119.08564	33.2
121.02862	7.3
121.06497	35.8
121.10123	20.5
123.04440	2.7
123.08054	15.6
123.11672	4.3
125.06012	5.3
125.09630	19.6
129.07007	9.1
130.07793	2.9
131.04921	4.9
131.08562	22.7
133.06482	7.7
133.10138	19.6
135.08058	21.2
135.11676	12.2
137.05974	5.2
137.09634	7.3
139.07544	3.3
141.06996	5.5
143.08585	8.3
145.06505	8.3
145.10091	18.6
147.08054	8.5
147.11639	10.5
149.05984	11.4
149.09615	15.5
149.13257	4.8
151.07593	7.7
151.11157	4.5
153.09064	5.1
155.08528	7.3
157.10165	5.9
159.08086	12.5
159.11681	13.7
161.09644	7.5
161.13292	6.5
163.07536	26.5
163.11165	12.4
163.14899	2.1
165.09125	5.2
169.10110	7.8
171.11737	6.6
173.09644	5.6
173.13255	8.6
175.11162	3.4
177.09167	6.3
177.12762	8.4
179.07021	4.1
179.10725	2.5
183.11691	4.7
185.13300	2.3
187.11214	9.6
187.14865	6.8
189.11197	3.9
189.12753	3.9
191.10655	4.1
197.13257	5.6
198.19049	2.6
199.11165	4.8
201.12666	3.4
201.16457	2.4
203.12813	5.0
205.12085	3.0
205.15889	3.7
215.14322	7.2
217.12212	3.1
219.13791	12.5
233.15358	37.5
233.18987	2.8
237.14816	4.9
238.75726	2.1
241.14297	3.7
243.17430	4.7
247.20502	2.6
253.15872	3.1
257.18915	4.3
261.18549	10.8
271.16907	15.1
275.20059	37.0
289.17966	100.0
289.21216	4.1
307.09579	4.1
307.19031	39.2
307.22781	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	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85717	0.7
56.05032	4.0
56.96551	0.8
57.71453	0.6
58.06593	4.3
61.01131	1.0
70.02960	0.8
70.04079	0.9
70.06602	1.0
71.56283	1.2
76.02218	1.2
79.05479	1.3
81.07051	0.8
84.03990	0.8
84.04504	29.8
84.08141	100.0
85.08489	1.5
86.06061	6.6
86.09700	7.3
86.42213	0.8
88.03997	5.6
100.00446	0.7
130.03035	0.7
130.05000	0.7
130.06534	2.0
130.08655	1.4
132.04460	0.9
132.08392	1.6
140.03459	1.0
141.13857	8.6
144.10254	0.7
146.06021	1.5
157.07623	2.0
158.06027	1.7
161.05902	1.2
169.13380	10.7
173.62527	0.7
175.08755	1.4
179.67868	0.8
188.07085	1.4
191.03340	0.8
215.13902	43.1
216.14301	1.2
243.17043	43.6
261.08868	1.1
262.11017	3.2
296.47513	0.8
307.16858	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	307.165
Annotation	Antibiotic KO 7888C
Peak:m/z	Relative Intensity
55.01843	1.4
55.05498	1.1
56.05026	2.3
57.03435	0.9
58.06594	1.7
60.50052	0.7
61.40335	0.7
67.05499	1.8
68.05006	2.1
69.03409	1.7
69.07047	0.7
70.02922	1.7
70.06573	5.1
70.64672	2.7
71.04978	0.8
72.04511	8.4
74.14956	0.8
75.86009	0.7
76.02207	2.1
79.05491	10.6
80.05029	1.1
81.07050	3.0
82.06574	1.9
84.04498	4.9
84.08124	1.9
84.22305	0.8
85.02924	0.8
87.05597	1.8
88.03979	2.0
91.05482	6.2
92.25681	0.8
93.07020	5.2
94.06555	2.1
95.04939	1.7
96.04486	0.8
99.00809	1.3
102.05548	1.4
103.05455	0.9
105.07022	4.4
107.05022	0.7
107.08600	4.0
108.08086	1.8
109.08893	3.0
109.10098	0.7
110.06026	3.2
117.07027	5.2
118.06535	0.9
119.04906	1.9
119.08584	12.0
120.08061	1.3
121.06534	1.4
122.09637	1.5
123.04422	1.5
124.07573	0.9
128.06232	0.9
128.07086	1.6
129.06982	2.8
130.04962	1.4
130.06537	5.3
130.07437	1.0
131.04887	1.0
131.08546	4.7
132.04422	2.2
132.08084	1.8
133.06500	1.3
133.10107	2.0
134.06017	1.0
134.09637	3.3
135.08032	2.0
136.07573	2.4
136.11205	3.4
139.03893	2.0
142.07756	1.9
143.08560	1.0
144.08041	1.2
145.06528	0.9
145.08965	1.4
145.10114	2.0
146.06062	1.6
146.07239	0.8
146.09645	3.1
147.04402	2.5
147.06828	0.8
147.08026	3.0
147.11609	1.8
148.07510	1.5
148.11160	0.8
150.09109	0.8
152.07042	0.7
155.03377	2.6
156.08028	1.2
157.07600	3.3
157.08856	1.6
157.10176	3.1
158.06038	5.1
159.11743	1.0
160.07553	1.8
160.11203	1.1
161.09592	0.8
162.09102	3.8
171.10393	1.7
172.11205	2.2
174.09003	1.3
174.12790	3.4
175.08678	2.6
175.11169	2.4
176.10718	0.8
176.14349	3.0
177.05455	1.6
184.11234	2.2
186.12675	3.5
188.10661	1.4
190.12306	1.2
191.13071	0.9
192.13835	8.6
197.08463	0.8
198.12880	1.3
200.14336	1.3
202.12198	3.9
204.13828	50.8
205.14168	1.4
216.13852	2.1
218.15378	5.0
220.13165	0.9
226.12299	2.0
228.13797	2.7
230.11749	6.0
239.08286	0.8
244.13335	10.9
245.16391	2.2
248.12773	13.1
261.08731	1.5
261.15958	9.9
262.11401	0.7
262.14322	2.2
263.17535	21.0
271.14243	0.9
272.12866	1.5
289.15439	29.0
290.13815	33.6
291.13937	1.1
294.29572	0.8
307.16498	100.0
308.16843	3.3
321.97742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01861	12.4
55.05508	41.7
57.03436	33.6
57.07061	11.7
65.03925	3.8
66.76424	3.0
67.05502	59.3
67.48112	3.0
67.92701	3.2
69.03437	7.1
69.07065	38.9
70.04082	3.4
71.04981	6.4
71.08639	6.4
76.02219	11.6
79.05484	64.5
81.03391	5.8
81.07050	100.0
81.98987	2.9
83.04974	13.3
83.08617	23.8
84.04490	5.6
85.02897	3.7
85.06532	10.3
91.05474	56.6
93.07036	60.3
94.06593	7.7
95.04963	24.8
95.08599	63.1
95.09169	5.4
97.06525	17.0
97.10157	15.7
98.20770	11.3
98.97552	5.9
101.06036	3.9
103.05467	8.9
105.07025	50.7
106.06549	3.2
107.04958	17.9
107.08597	43.5
108.08147	3.6
109.06516	19.6
109.10130	37.9
111.04462	3.8
111.08083	10.6
111.11689	5.8
113.50615	3.3
116.98608	6.1
117.06997	21.3
118.06538	4.3
119.08564	38.6
120.08087	9.5
121.06499	32.7
121.10130	27.8
122.09636	4.1
122.66219	3.1
123.08097	11.1
123.11728	16.7
125.09599	4.9
129.07042	10.7
131.07152	4.4
131.08582	24.7
132.08115	10.8
133.06517	4.3
133.08823	5.0
133.10126	19.5
134.09641	19.0
135.08035	22.4
135.11690	12.3
136.11211	17.0
137.09586	9.5
137.13307	5.0
138.05571	4.7
142.07803	5.1
143.08543	5.2
144.08060	6.0
145.09076	3.9
145.10095	20.0
146.06003	7.5
146.09654	12.3
147.08040	7.3
147.10559	4.2
147.11696	12.6
148.07574	7.5
148.11215	14.0
149.09612	12.9
149.13292	7.8
150.09145	8.2
151.07443	4.1
155.08600	6.2
157.10095	7.6
158.09694	3.8
159.06844	4.2
159.08028	13.6
159.10484	3.8
159.11720	12.2
160.07614	4.8
160.11157	8.6
161.09662	7.7
161.13252	6.6
162.09132	6.2
163.14845	8.3
165.12724	4.7
165.44197	3.4
169.10088	3.9
171.11786	4.0
172.07558	10.0
173.13217	5.3
174.09064	6.0
174.12811	10.4
175.11261	6.7
176.06949	4.3
177.16371	4.6
187.09871	6.2
187.14885	6.5
188.10695	37.3
190.08583	6.1
190.12354	3.9
191.13019	7.7
192.06523	13.6
192.10149	4.0
192.13812	38.7
197.13388	5.6
201.16347	3.9
202.12238	32.8
204.13783	5.0
216.10274	7.1
216.13943	8.1
218.15280	4.7
220.09663	9.5
221.12877	5.0
233.12993	4.7
233.15385	8.0
234.11273	17.6
236.09215	16.3
244.13284	39.2
248.09142	19.5
248.12851	5.4
249.05487	3.7
251.13959	16.3
261.16040	16.3
262.14304	6.0
264.07855	4.3
271.16882	4.1
271.24298	6.6
272.12784	8.2
289.15271	10.4
289.18036	17.5
289.25198	8.5
290.13766	43.5
292.69669	3.2
307.09677	6.0
307.16357	55.2
307.19205	8.5
307.26596	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	11.6
57.56451	11.3
62.10336	11.7
70.06546	11.9
71.09147	10.3
71.40611	13.1
71.40939	12.6
72.04507	11.4
76.02218	10.5
76.05125	36.0
80.34437	10.3
81.05128	11.0
84.04533	11.0
113.41308	11.7
116.86542	10.2
119.01894	39.1
133.03496	16.1
143.01840	17.2
145.03415	13.9
173.02898	13.0
186.07491	14.8
193.51367	10.5
202.89107	19.3
215.00397	18.0
247.03082	16.7
307.07446	100.0
307.15924	12.5
313.69727	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	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08664	9.0
61.14923	9.3
70.62511	24.8
72.08133	10.4
76.05128	21.1
77.14484	9.4
84.78033	10.0
86.37985	8.9
88.63696	9.1
98.20789	9.8
110.67674	10.4
119.01911	45.4
133.03448	12.0
148.11028	12.4
160.07176	11.0
173.02969	13.6
184.58675	9.3
215.00221	11.8
247.06744	13.4
265.07550	15.3
275.16360	11.0
290.10440	13.1
307.07455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01852	12.6
55.05504	37.7
56.41244	3.6
56.96544	6.4
57.03433	53.0
57.07057	8.5
64.44185	4.0
67.05496	33.9
69.07062	31.7
69.24908	19.5
69.25335	27.3
71.08626	5.5
72.04475	5.0
76.02209	5.7
79.05484	41.9
80.04991	6.5
81.07053	72.0
82.06534	6.5
83.04969	6.6
83.08606	11.3
85.06561	4.6
87.05643	5.2
89.00747	4.2
91.05465	40.3
93.07040	46.3
94.06557	14.3
95.04977	21.3
95.08590	46.9
97.06522	9.3
97.10164	18.6
98.20707	6.3
98.97569	8.2
99.00803	6.9
103.05435	4.4
105.07021	36.6
105.76453	4.9
106.06554	7.7
107.04946	10.8
107.08578	34.3
109.06480	16.8
109.10137	28.6
111.08035	8.4
116.98592	4.6
117.05733	4.6
117.06991	20.3
118.06537	14.6
119.07312	5.2
119.08566	37.4
120.08064	17.0
121.06480	35.7
121.10139	22.4
122.09620	6.0
123.04339	4.0
123.08073	10.0
123.11678	13.2
129.06943	6.2
130.06496	5.9
131.04865	4.8
131.07329	9.0
131.08543	24.8
132.08078	20.0
133.06456	7.1
133.08792	8.5
133.10086	19.8
134.05971	7.2
134.09641	29.0
135.08026	15.6
135.11678	13.0
136.07504	5.9
136.11223	22.1
137.09561	6.9
138.05505	8.9
138.09070	5.6
142.07736	7.5
143.08563	5.2
144.08075	8.7
145.10107	19.2
146.06007	14.4
146.09615	25.1
147.06816	7.3
147.07951	7.5
147.11697	8.4
148.07550	12.1
148.11192	16.4
149.09631	7.9
149.13245	9.3
150.09085	9.9
158.05942	4.8
159.06831	4.2
159.08043	12.2
159.10489	4.8
159.11670	6.7
160.07582	7.6
160.11224	12.0
162.09105	10.7
162.12766	6.4
163.07495	5.6
163.11226	7.0
164.03323	8.1
164.07074	4.7
164.93893	3.8
171.11740	4.7
172.07568	19.0
172.11197	5.5
173.08241	5.5
174.09076	9.0
174.12766	8.4
175.11195	4.6
175.14738	4.4
176.10730	5.2
177.00578	4.8
185.09669	4.2
187.09920	4.2
187.14816	5.0
188.10698	81.9
190.08578	7.8
191.02296	4.4
191.13010	11.8
192.06517	31.6
192.10153	9.4
192.13799	62.1
202.12260	51.1
204.13815	10.4
216.10179	10.7
216.13832	11.3
218.08112	6.8
220.09697	12.5
226.12276	5.1
233.12856	15.5
233.15172	9.8
234.11241	32.3
236.09087	24.0
238.77165	4.8
244.13333	71.5
248.09190	22.6
251.13852	25.2
261.15924	27.9
262.14374	13.5
265.11792	6.0
272.12735	15.1
289.15262	10.0
289.18057	16.3
289.25290	7.3
290.10837	5.3
290.13885	82.7
307.09531	4.7
307.16412	100.0
307.19171	7.6
307.26205	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	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01465	1.5
56.96560	9.5
57.82785	1.5
69.87090	3.3
69.87491	8.2
73.02937	1.9
78.12560	1.6
78.95277	5.1
80.94970	4.6
85.02888	1.9
98.97559	11.2
116.98594	11.4
119.01915	9.7
134.99637	9.9
137.02953	4.6
153.00835	2.4
177.00931	16.2
178.01239	2.5
180.00858	2.7
195.84503	1.6
217.04034	3.6
219.01999	21.1
219.03983	2.3
220.02138	7.3
221.01749	7.3
222.01900	16.3
223.01717	2.6
225.00993	2.3
243.01999	4.3
247.68239	1.7
257.98581	2.2
259.96597	1.9
261.03067	100.0
261.95987	1.6
262.03220	6.3
283.96667	3.4
284.04602	5.1
290.95404	2.4
299.91150	1.7
301.97769	7.1
302.97159	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	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01867	1.3
55.05508	9.9
57.07056	1.2
65.03921	0.7
67.05500	12.7
69.03402	0.5
69.07063	8.7
71.04985	0.3
71.08621	0.6
71.31081	0.6
72.04487	0.4
79.05486	4.0
81.07053	10.2
82.06550	0.5
83.04960	0.4
83.08601	2.6
84.08150	0.3
85.05279	2.9
86.06044	1.2
91.05481	1.6
92.05798	0.3
93.07043	2.6
94.97829	0.3
95.04943	1.2
95.08602	6.4
96.08130	0.3
97.06522	0.4
97.10143	1.3
98.06048	18.5
99.06853	0.6
105.07008	1.1
106.43199	0.3
107.08588	1.3
109.06502	1.5
109.10144	2.0
110.09689	0.5
112.07607	2.3
117.07000	0.4
119.08530	0.7
121.10116	1.1
122.03621	0.5
122.96419	0.2
123.11706	0.5
124.07595	0.5
124.11201	0.4
125.09586	0.4
126.09132	0.6
130.18706	0.3
131.08507	0.3
132.92465	0.3
133.10120	0.5
135.08139	0.3
135.11652	0.5
136.11328	0.3
137.05977	3.8
137.09599	0.5
137.13243	0.4
138.09123	0.4
140.10718	0.7
145.10141	0.3
147.08067	0.3
147.11670	0.5
149.13220	0.3
152.10634	0.3
154.12209	0.8
165.12735	2.9
168.13812	0.6
173.27937	0.3
180.13744	0.4
182.15382	0.4
188.06717	0.3
191.14340	0.3
194.15410	0.5
196.16980	0.9
208.16917	0.9
222.18523	0.8
224.20073	0.3
236.20168	0.6
250.21678	0.5
275.20096	0.3
289.21555	0.6
306.27887	100.0
307.22638	2.3
307.28012	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02948	0.5
63.22592	0.4
63.85612	0.5
69.07053	1.5
70.86451	1.3
70.86784	0.7
78.81597	0.6
79.05495	0.9
81.07040	0.9
91.05443	0.9
94.04182	2.3
97.06538	0.5
99.49907	0.6
107.08586	0.7
107.60778	0.5
109.06549	0.6
109.10168	0.6
122.03651	7.4
135.11684	1.4
137.05974	100.0
138.06314	1.1
151.11276	0.6
153.12755	1.1
170.15410	2.6
182.15387	1.6
211.26646	0.6
296.61630	0.6
306.20615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1697
Annotation	Convolamine
Peak:m/z	Relative Intensity
52.12379	0.3
53.14398	0.3
55.05510	0.4
57.03438	3.3
57.07061	0.3
58.87178	0.4
58.99572	0.4
67.05499	0.7
69.03392	0.3
71.01345	1.8
71.08646	0.4
71.10221	0.9
79.05497	0.8
81.07041	1.1
85.02902	44.3
86.03223	0.7
91.05475	0.6
92.48586	0.3
93.07040	0.7
95.01324	0.5
95.08617	0.5
97.02914	0.6
97.46729	0.3
99.08096	0.5
103.03949	0.8
105.07020	0.9
107.08574	0.4
108.08974	0.4
113.02350	2.3
118.06541	20.8
119.07391	0.7
120.08097	0.7
121.06554	0.6
121.10129	1.2
122.02729	2.2
131.03394	1.5
131.08583	0.7
132.08087	7.1
133.08902	2.8
134.09634	1.4
137.05917	0.5
144.08093	0.5
146.09641	6.4
147.10413	0.5
149.09592	1.5
154.02109	0.6
160.11224	1.1
167.10616	1.7
176.14339	94.2
177.14662	2.9
185.11723	1.0
202.15923	1.3
208.94925	0.4
216.13765	0.7
234.10751	0.3
246.14816	0.9
262.10782	0.5
263.06845	0.4
288.15915	1.2
306.16983	100.0
307.09555	0.9
307.17386	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	306.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	4.2
56.05030	10.5
56.96561	12.9
60.04523	32.2
69.03413	3.7
70.06580	9.9
70.86161	6.2
70.95866	2.7
72.04491	5.9
72.08144	6.8
72.93769	3.8
74.06073	4.8
76.05122	3.2
83.06059	2.5
84.04500	16.6
84.08117	5.0
85.02899	5.5
85.04003	4.3
86.09701	88.6
87.05605	11.0
90.94823	4.0
91.05463	2.4
97.02875	2.8
97.06454	2.3
98.06059	4.1
98.97643	5.1
102.05482	2.6
108.95850	2.9
110.07105	2.4
114.06672	3.5
116.98582	5.8
122.07133	7.9
122.31869	2.2
127.03871	4.8
128.10696	9.9
130.04968	4.9
132.95805	2.4
134.99582	4.3
135.04507	2.5
136.06216	2.2
137.05951	6.1
139.03868	9.6
144.04713	3.0
144.10077	3.6
144.95782	2.4
147.04378	6.2
149.96144	3.1
150.00728	2.7
150.96870	3.8
160.07249	3.1
164.08238	5.9
173.12851	100.0
174.96883	3.2
176.98380	2.1
177.03236	4.4
186.96585	1.9
201.12349	19.7
202.12585	2.0
217.01602	2.9
223.01181	3.6
234.99002	5.4
270.10840	4.5
270.14871	2.2
281.20734	2.9
286.33090	2.1
288.88278	2.2
289.15387	2.1
307.16284	2.2
325.49533	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03945	4.3
55.01866	2.6
55.05506	27.0
56.19902	2.3
56.96549	2.6
57.03453	2.7
57.07063	9.5
57.11486	2.6
58.28979	2.0
62.54037	1.9
65.03928	2.5
67.05172	3.4
67.05504	45.2
69.03416	6.7
69.07065	44.1
70.15025	10.6
71.04976	3.7
71.08643	3.4
79.05486	34.7
81.03411	5.3
81.07053	100.0
83.04980	29.6
83.08599	10.8
84.08134	7.5
85.02920	4.7
85.06522	4.1
86.09695	8.2
91.05476	26.5
93.07039	41.9
95.04966	11.3
95.08602	92.4
97.06521	20.6
97.10151	9.4
98.06036	2.4
98.97581	4.8
99.08075	2.6
100.02230	6.2
103.05457	3.1
103.13040	2.2
105.07034	36.7
107.04942	4.4
107.08596	43.7
109.06503	8.8
109.10158	59.2
109.10919	3.0
111.08078	7.1
111.11704	7.2
117.03358	10.4
117.07014	7.9
119.08584	29.1
121.06436	2.7
121.10131	35.2
122.06019	3.9
123.04387	2.8
123.08067	5.7
123.11695	21.8
123.22719	2.2
125.09605	6.2
127.03903	6.2
128.06194	2.9
129.07001	3.4
131.08606	16.8
132.10228	3.1
133.02934	2.8
133.06476	3.3
133.10129	26.2
135.08047	6.4
135.11702	22.1
137.05965	9.4
137.09587	7.9
137.13240	8.9
139.03879	12.6
139.11127	4.5
143.08562	9.7
145.02831	22.8
145.10107	17.9
147.08081	2.4
147.11674	20.7
149.06000	5.6
149.09607	4.8
149.13249	21.0
151.03911	2.7
151.11142	3.5
153.01802	7.0
155.02258	2.7
157.10130	8.6
158.06006	5.7
159.11714	18.2
161.13284	14.4
163.11171	3.0
163.14786	10.6
167.10704	5.6
171.11690	4.2
173.07152	3.4
173.13260	6.4
175.11111	3.1
175.14851	5.8
176.14346	7.6
177.05450	32.0
177.12776	4.0
177.16365	7.1
179.03409	5.6
179.17824	2.6
185.13214	5.0
187.14818	6.8
189.16396	9.4
191.18015	3.2
199.14813	6.0
201.16373	6.2
203.17972	8.1
207.17415	3.4
213.10522	5.6
213.16360	7.7
217.19514	2.5
219.06247	2.5
227.10353	7.2
228.10835	19.7
229.11493	6.5
231.17499	3.1
241.11693	14.3
243.21147	4.4
245.22594	2.6
257.11133	38.5
259.11090	7.6
269.11063	10.7
269.22598	13.1
287.12064	28.1
287.23657	20.0
305.05603	37.5
305.13153	8.1
305.22232	4.6
305.24927	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	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01859	8.8
55.05508	16.4
57.03423	8.3
57.07077	2.4
58.94043	1.9
59.04993	7.2
65.03929	8.8
67.05502	64.6
69.03420	4.1
69.07047	10.3
70.64537	6.0
79.05492	35.5
80.95770	2.1
81.03413	4.6
81.07047	32.2
83.04964	9.2
83.08608	4.3
85.06521	7.2
91.05473	30.4
92.73341	1.8
93.07038	28.4
95.04966	100.0
95.08607	18.5
97.06521	8.0
100.46230	2.0
105.07024	22.7
107.04967	14.0
107.08591	20.8
109.06510	21.9
109.10138	7.7
111.08089	3.4
114.64369	2.2
115.05453	3.0
117.07012	12.9
119.08598	16.2
121.06518	9.8
121.10141	14.1
123.08064	7.7
128.06190	2.2
129.06993	7.6
131.08534	20.0
133.06502	7.6
133.10109	8.8
135.08047	31.3
135.11681	7.9
137.05943	6.1
143.08549	11.4
145.10138	13.6
147.08078	7.9
147.11667	3.1
149.09608	12.4
149.13147	2.3
150.10422	8.9
151.11198	4.3
157.10112	6.1
159.11668	8.4
161.09641	6.2
163.11110	4.5
165.09099	2.1
167.10667	5.9
169.10088	3.5
171.11676	6.3
173.09610	3.7
173.13219	4.5
175.11179	3.8
177.12740	6.0
181.10103	2.9
187.11215	2.8
195.11829	2.8
205.12254	4.9
215.14655	2.1
217.15828	4.5
221.15388	3.6
233.15308	2.9
237.16328	4.2
245.18918	2.3
255.17374	3.8
273.18430	24.8
276.41895	1.9
287.20035	10.0
293.07285	2.0
305.17737	3.4
305.21036	20.9
305.24332	3.7
324.36691	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	305.2109
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03952	1.2
55.01863	3.4
55.05509	14.6
55.12273	0.7
56.79614	0.8
57.03431	1.0
59.05004	1.1
65.03925	1.0
67.05500	8.0
69.03408	2.6
69.07061	5.0
69.45578	6.8
71.04973	1.0
73.06544	1.1
79.05492	14.5
81.03406	1.2
81.07053	17.3
83.04977	1.3
83.08620	5.2
85.06511	0.9
91.05478	14.3
93.07037	9.7
95.04967	5.5
95.08608	4.7
97.06526	1.0
97.10163	7.4
98.20737	1.0
105.07019	10.5
107.04945	5.3
107.08598	6.4
109.06541	1.7
109.10128	2.3
110.47209	0.8
115.05382	1.1
117.07002	6.0
119.04903	1.8
119.08577	11.1
121.06504	3.9
121.10133	2.7
123.08044	1.2
125.09640	6.6
129.06990	3.8
130.07715	1.2
131.08566	6.4
133.06482	4.9
133.10089	2.5
135.08049	3.6
137.05942	1.2
137.09622	1.0
143.08549	2.9
145.10101	5.6
147.08043	7.2
147.11705	1.1
149.09599	1.6
155.08473	0.8
157.10187	1.8
159.11700	2.4
160.79814	0.8
161.09631	2.9
163.11171	1.9
171.11642	1.0
175.11200	1.7
203.12708	2.3
227.17888	0.8
233.70724	0.8
255.17409	1.6
263.16357	1.1
273.18509	5.9
305.21091	100.0
306.21387	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54894	4.6
53.03941	9.1
55.01865	7.0
55.05510	55.4
55.06793	5.6
57.03430	11.4
57.07063	5.4
65.03934	10.0
67.05503	70.6
69.03420	7.3
69.07059	32.7
71.56023	4.6
71.58284	7.2
76.69287	5.5
79.05490	77.4
81.07051	84.4
81.10046	5.6
83.04984	8.4
83.08604	14.6
85.06532	32.1
91.05474	100.0
93.07039	89.6
95.04974	21.3
95.08594	53.0
96.08956	6.1
97.06553	14.8
97.10197	12.6
98.06031	10.9
98.97584	7.8
103.05461	8.3
105.07021	67.6
107.04939	10.9
107.08588	40.6
109.06512	22.5
109.10155	15.6
111.07973	6.4
113.06009	12.6
116.06247	6.3
116.98593	7.5
117.07027	36.2
119.08570	44.5
121.06507	18.9
121.10146	41.5
123.08030	9.3
125.09646	8.7
128.06224	14.6
129.06950	26.1
130.07793	10.1
131.08559	85.9
133.06505	10.9
133.10138	30.6
135.08049	27.7
135.11708	18.3
137.05969	39.0
139.11185	11.5
141.07022	7.9
143.08525	50.6
145.06425	6.0
145.10095	56.4
147.08023	11.7
147.11661	12.5
149.09567	10.7
151.07585	7.6
155.08556	7.1
157.10110	23.8
159.11699	20.7
161.09648	23.6
161.13223	7.3
163.11107	8.1
169.10159	12.8
171.11691	18.6
175.11092	6.3
181.10095	10.4
183.11713	8.4
185.13263	7.5
189.12726	5.3
195.11768	13.1
213.12753	8.0
237.16371	7.2
245.18903	7.5
255.17360	14.3
273.18332	41.5
305.17923	8.0
305.21112	25.9
305.26413	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	305.2108
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
53.03965	6.3
55.05511	42.6
56.96555	7.2
57.03436	13.6
57.07056	12.4
58.58278	6.0
59.04998	10.2
67.05502	43.7
69.03427	15.9
69.07063	29.6
70.40199	20.7
71.04996	16.0
77.69198	5.5
79.05489	48.1
81.07050	68.2
83.04976	42.3
83.08620	16.8
85.02911	15.1
85.06597	6.5
91.05462	61.6
93.07039	89.9
95.04965	34.4
95.08601	98.6
97.06537	21.9
97.10164	10.8
98.97619	8.1
105.07021	62.9
107.04937	17.0
107.08578	57.2
109.06514	20.9
109.10160	43.6
111.04427	7.7
111.08071	9.8
115.05473	6.4
116.98637	6.7
117.07001	28.6
119.08562	85.2
121.06492	14.7
121.10137	72.5
123.08044	17.6
123.11729	15.3
127.03941	17.0
128.06190	8.0
129.07011	19.7
131.08569	69.7
133.10104	56.2
135.08047	17.7
135.11688	19.5
137.05963	22.7
137.09666	10.8
137.13185	7.2
139.07578	9.4
141.07074	6.2
142.07779	17.0
143.08539	36.5
144.09349	9.3
145.10103	64.8
147.08028	14.7
147.11679	24.4
149.09624	33.1
149.13289	13.8
151.03891	8.2
151.07570	6.4
155.08476	15.5
156.09366	14.6
157.10120	58.2
158.10977	7.2
158.68411	6.0
159.07973	10.4
159.11688	74.9
161.09592	16.8
161.13301	18.8
165.09135	17.6
169.10155	25.9
171.11659	41.9
173.13242	56.4
174.14082	8.3
175.11212	7.9
175.14822	13.7
175.16443	7.2
177.00706	7.8
177.12799	10.2
183.11684	10.5
185.13258	37.9
187.11140	10.8
187.14833	19.7
189.12741	7.0
191.14342	13.9
195.11739	16.5
197.13297	8.1
199.14775	29.2
201.12669	8.1
201.16463	6.5
203.14394	8.2
211.14774	20.0
213.12756	23.5
213.16357	21.8
215.17982	8.8
225.16248	7.3
227.18118	7.3
229.15895	8.0
231.13878	10.8
241.19542	19.7
243.17474	8.1
259.20703	11.4
269.18948	23.9
287.16995	7.1
287.20120	37.3
287.23572	7.5
288.25565	6.5
296.14670	5.9
296.19843	7.5
305.17508	15.3
305.20956	100.0
305.24200	8.9
305.28748	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	305.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.7
57.03429	0.6
61.71764	0.3
62.81834	0.3
63.43431	0.3
65.03939	0.2
67.05508	0.6
69.03447	0.6
69.07079	0.3
69.45678	2.5
81.07042	0.9
84.04503	8.8
85.02902	14.7
86.06058	0.9
87.04440	0.6
93.07037	0.7
94.02919	0.3
95.01331	1.5
95.08600	0.7
97.93459	0.3
101.02007	0.3
102.05541	5.9
103.21945	0.3
105.07029	0.4
109.10165	0.3
112.03967	1.0
113.02357	1.2
117.06997	0.4
118.06538	8.2
119.07360	0.4
121.10133	0.3
123.04417	0.7
124.07590	0.3
127.03908	0.4
130.04999	42.0
131.05339	0.4
131.08540	0.3
132.08083	3.0
133.08868	1.4
134.09634	0.7
136.07552	1.5
146.09650	3.0
147.02505	0.3
149.02351	0.6
149.13246	0.4
153.01797	0.6
164.07079	1.4
176.14342	100.0
177.14732	3.2
202.15907	1.0
216.13820	0.9
242.48149	0.3
259.05899	0.4
288.15909	4.8
289.16156	0.5
291.22894	0.3
305.05560	0.9
305.18558	14.9
306.18906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25892	0.2
55.01864	0.5
55.05516	0.5
56.05032	0.5
57.03434	0.5
59.27734	0.2
60.48126	0.2
63.85410	0.2
65.03925	0.7
67.01854	0.5
67.05497	0.8
68.99790	1.9
69.03416	0.5
69.07064	0.4
70.00124	0.5
70.06590	4.4
70.49102	0.4
71.00195	0.6
71.04987	0.3
79.05467	0.5
81.03403	0.6
81.07038	1.4
82.03755	0.3
83.08642	0.3
84.04501	4.5
84.08125	0.3
85.02901	7.4
86.06052	0.3
87.04453	0.3
91.05476	0.7
93.03413	0.6
93.07030	0.8
94.06532	0.2
95.01319	0.9
95.04947	0.8
95.08598	0.8
95.33517	0.2
96.05257	0.3
97.02898	0.3
97.06526	0.3
98.97549	0.3
102.05544	3.1
105.03394	0.4
105.07027	0.8
107.04946	0.3
107.08601	0.5
109.02894	0.7
109.06514	0.4
109.10138	0.4
110.03184	0.3
111.00801	1.2
112.01122	0.4
112.03975	0.5
112.07607	3.7
113.01221	0.5
113.02336	0.6
117.07003	0.5
118.06543	5.5
119.08558	0.5
121.02888	1.5
121.10133	0.6
122.03188	0.6
123.03353	0.7
123.04435	0.7
123.11736	0.3
124.04743	0.4
127.03886	0.8
128.06163	0.3
129.07047	0.3
130.04996	19.1
130.60190	0.2
131.05103	0.2
132.08047	0.8
133.02863	0.3
133.06453	0.4
133.08917	0.3
133.10139	0.6
135.04411	0.4
136.07596	0.4
137.02348	3.3
137.06001	0.4
138.02693	2.3
138.05499	0.3
139.02820	2.6
139.03838	0.4
140.07037	1.8
143.08459	0.2
145.06474	0.7
145.10130	0.3
146.09665	1.2
147.11682	0.4
149.02315	0.4
151.02831	0.3
151.03957	0.4
153.01808	4.2
154.02156	3.5
155.02281	4.2
155.04890	0.6
156.05241	0.5
159.11661	0.3
161.06013	0.5
163.03873	0.4
164.04213	0.4
164.07034	1.9
165.01840	1.3
165.04430	0.5
166.02203	0.9
167.02260	1.6
168.03151	0.3
171.03023	0.3
173.06007	0.8
175.06519	0.4
176.14339	52.2
177.14687	1.4
179.03458	0.5
179.06035	0.3
183.02856	0.4
183.04399	0.5
184.03250	0.5
185.03394	0.6
185.04892	0.4
187.03825	0.6
188.11717	0.2
189.04355	0.4
197.03354	0.3
201.05466	1.4
202.05766	1.0
202.15945	0.3
203.06006	2.3
205.12668	0.2
213.04234	0.2
216.13847	0.4
221.07019	0.4
226.18202	0.2
229.04922	2.5
230.05234	1.7
231.05557	6.4
232.05786	0.2
241.04106	0.4
249.06615	0.7
257.04428	1.1
258.04819	0.7
259.04968	4.6
269.12839	0.7
269.22488	0.3
276.05237	1.6
285.03909	0.2
287.04465	2.5
287.13730	0.4
288.15933	2.7
305.05511	100.0
305.18539	9.1
306.05753	5.4
306.18884	0.3
311.72668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98178	1.9
56.96548	3.5
58.68544	1.6
59.16473	1.6
65.03947	1.8
67.05495	6.2
69.03407	3.1
70.06587	2.7
71.04952	1.9
71.57125	2.6
72.04483	1.5
79.05474	3.4
81.03410	2.7
81.07050	3.4
84.08152	2.8
85.02911	3.3
86.09678	2.3
91.05465	4.2
93.07058	1.9
94.06549	5.4
95.04952	4.4
98.97551	3.1
103.05384	1.6
105.07019	1.8
107.04913	1.9
107.08560	2.1
108.08112	19.4
109.02842	2.8
110.06028	7.3
111.56179	1.8
116.98609	2.8
118.06538	5.3
119.04973	2.2
119.07278	5.2
120.08115	11.6
122.06001	7.1
123.04430	5.0
123.06764	1.7
124.07552	11.6
125.40762	1.7
127.03897	6.8
130.06516	5.1
132.04434	1.8
132.08205	1.9
132.95802	2.0
133.02919	2.1
134.99594	2.1
136.07574	100.0
137.02412	1.7
139.03922	11.1
142.08647	9.0
143.10614	2.0
146.06021	8.8
147.04430	15.0
147.05453	2.6
147.06792	4.5
148.07578	4.2
151.03906	4.6
152.07045	4.2
153.01831	2.9
154.08611	2.5
157.07584	11.1
158.06104	2.1
160.07204	6.4
161.06982	2.0
164.07062	38.7
173.10715	6.9
177.80644	1.8
179.03430	4.6
181.08846	2.8
183.09128	2.3
185.07108	2.7
197.10733	4.8
198.11488	5.1
200.10809	1.9
201.10262	7.1
203.08177	3.4
211.12120	1.7
212.09283	3.5
213.10326	8.8
213.13780	4.1
223.12279	2.3
224.10707	2.9
225.10210	8.0
226.11006	11.3
231.07762	4.0
240.12532	3.4
241.09608	5.4
241.13356	24.6
254.10469	5.9
259.14441	30.7
269.12860	43.0
287.06387	5.1
287.13873	43.9
305.06064	3.7
305.11411	3.3
305.14932	65.4
305.17566	2.4
306.10913	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27325	0.4
53.03946	1.2
55.05513	0.7
60.56075	0.4
67.05500	2.3
69.07068	1.2
69.93578	2.0
69.93992	0.8
70.71765	0.5
76.63409	0.4
77.03938	0.8
79.05492	1.6
81.03372	0.7
81.07046	2.8
83.04947	0.6
86.09676	0.6
89.88676	0.5
91.05469	5.3
91.06029	0.7
93.07048	3.7
94.06560	0.9
94.63649	0.5
95.04971	2.5
95.08562	1.5
96.08121	1.1
96.89052	0.4
97.06516	0.7
105.07022	0.9
107.08598	1.0
108.08111	1.5
108.98681	0.5
109.10147	0.9
116.98568	0.7
119.08516	0.7
121.10108	0.6
122.06013	3.5
123.04389	0.9
124.07583	10.1
126.05508	1.6
127.03951	1.0
136.07564	100.0
137.05972	0.9
137.07895	1.2
138.09132	1.0
140.07021	1.4
147.04376	0.9
147.11623	0.5
150.05493	1.2
152.05867	1.1
152.07059	17.9
152.08298	1.0
163.03709	0.4
164.07053	73.9
165.07285	0.6
170.08089	3.0
176.14334	1.0
177.05450	1.0
182.06613	0.9
182.08121	12.7
207.86081	0.5
245.12553	0.6
287.13901	4.0
287.23874	0.6
295.63403	0.5
296.57111	0.5
305.05472	7.3
305.10968	0.7
305.14520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.5
57.03434	15.9
57.03663	3.1
61.02927	3.8
67.05492	13.0
69.03420	12.8
69.07084	3.1
70.94483	3.9
70.94804	4.9
71.01350	15.2
71.04988	24.5
73.02907	10.1
73.12321	2.9
75.04473	6.9
79.05475	8.1
81.03395	6.2
81.07049	9.9
83.04984	26.2
85.02902	100.0
87.04476	5.1
88.14225	2.7
91.05470	8.0
93.07080	3.6
95.01299	4.2
95.04955	11.9
95.08603	5.6
97.02890	11.8
97.06517	4.3
99.04464	3.3
103.03928	3.9
105.07044	6.5
107.04911	3.1
107.08548	3.1
107.45053	2.7
109.02882	4.2
109.06492	3.2
109.10143	4.0
111.04412	18.5
113.02338	5.8
113.06020	6.5
119.08572	3.8
121.06497	4.1
123.04393	5.2
125.02342	4.6
125.06088	2.7
127.03916	12.1
129.05418	14.6
131.03395	3.9
135.23978	3.1
141.01804	5.0
147.06520	7.3
151.03915	4.3
157.01282	3.0
157.04955	11.6
159.02777	2.9
161.13239	3.2
165.01839	6.6
173.08147	4.8
177.01988	4.0
179.03423	4.3
183.02858	8.2
185.77011	3.2
187.02376	5.7
200.50287	2.7
201.03992	10.7
213.07497	3.5
223.06067	4.0
241.07169	4.7
259.08142	5.3
269.06647	4.7
305.08932	3.0
305.17728	3.4
305.21121	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	305.138
Annotation	oleocanthal
Peak:m/z	Relative Intensity
52.52908	0.8
53.03936	1.7
55.01880	1.8
55.05497	2.9
56.96558	1.5
57.03429	1.4
63.30748	0.9
66.26447	0.8
67.05501	5.3
68.99780	2.7
69.03400	0.9
69.07056	4.4
71.57736	0.9
79.05502	5.4
81.03425	1.0
81.07044	6.9
83.04974	3.8
83.08594	2.1
85.02908	1.7
91.05475	11.3
93.07046	8.8
95.04973	5.9
95.08606	5.5
97.06502	2.4
98.97581	3.0
99.04448	3.4
103.05462	2.1
103.10638	0.8
105.07007	4.5
107.04943	10.6
107.08602	4.9
109.06508	2.9
109.10131	3.4
111.04427	6.2
111.08096	1.5
115.05438	2.8
116.98624	3.4
117.06989	5.8
119.04935	1.0
119.08565	2.5
121.06496	39.8
121.10130	3.9
123.04418	100.0
123.08021	1.2
123.11716	1.0
125.05997	1.7
127.03911	4.5
129.06998	1.0
131.04903	2.4
131.08586	1.0
133.10109	2.4
134.07248	1.3
134.99664	2.7
135.08054	1.9
135.11707	2.0
137.05963	3.0
138.06694	1.3
139.07536	10.4
143.08560	1.6
145.06461	3.6
145.10123	1.4
146.07263	8.3
147.04347	2.1
147.08023	6.7
147.11604	1.1
148.05170	0.9
149.05981	18.3
149.09575	5.0
149.13278	1.3
151.07530	23.9
151.08662	1.8
152.80228	0.8
161.05991	2.3
161.09634	0.9
162.06723	6.0
163.11227	1.1
165.09097	1.3
167.07030	96.0
168.07414	1.2
173.01167	1.7
173.13194	1.0
173.59685	1.0
175.07452	2.0
175.94041	0.9
177.00693	1.5
177.09094	91.2
178.09358	2.1
179.10681	1.9
181.08623	1.8
189.16528	0.9
191.02275	1.1
201.16525	1.6
203.10643	2.6
219.06467	1.0
287.12753	1.8
287.23593	2.2
305.13828	4.5
305.17834	2.1
305.24686	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	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.23599	1.1
55.01856	2.6
55.05505	1.3
64.05298	1.0
65.03934	4.6
67.01860	7.7
67.05492	2.9
68.99452	1.2
68.99781	7.9
69.03417	4.9
69.07062	3.6
69.29834	1.0
69.90759	1.1
70.06584	4.1
71.56120	1.5
71.56502	1.2
72.08143	1.8
77.03883	1.1
81.03400	3.2
83.01339	1.3
83.17989	1.0
84.08173	1.7
85.02914	5.7
86.03230	1.3
86.09688	2.1
89.03915	2.0
91.05489	2.2
93.07037	1.1
95.04976	5.6
95.08582	1.2
97.02918	4.8
97.06535	2.2
98.03206	1.6
98.97588	1.7
103.05465	1.0
105.03415	3.0
107.04951	2.7
109.02884	3.3
111.00801	1.5
111.04427	9.1
115.05418	2.1
116.98613	1.8
117.52441	1.0
119.04933	2.4
120.08081	2.1
121.02874	13.6
122.06018	4.3
123.04427	76.4
127.03901	15.6
128.06168	1.0
129.06978	1.9
130.06497	1.3
133.02863	3.5
134.99629	1.3
135.04382	4.3
136.07584	2.1
137.02318	4.3
137.05998	2.8
137.75981	1.0
138.09111	3.5
139.02925	2.0
139.03902	16.9
139.04974	1.4
139.05437	1.4
142.08638	6.1
143.04854	1.2
143.08981	3.9
145.06453	1.5
147.04408	11.3
149.02338	64.0
150.03082	1.7
150.05463	2.8
151.03897	7.4
153.01822	100.0
154.02321	1.5
155.03387	15.5
157.06470	4.6
158.06065	1.1
158.11786	1.2
161.02354	4.9
161.05946	1.2
163.03909	3.0
167.02148	1.5
167.03423	13.4
167.04784	1.8
167.19936	1.0
171.02905	22.0
171.04309	2.0
175.03860	4.7
177.05490	1.4
179.03369	7.3
184.09755	2.5
185.05984	9.1
185.10133	5.4
187.08661	1.9
189.05405	1.5
195.02872	13.8
199.03958	1.1
203.03413	4.3
203.07022	2.1
213.05417	12.8
217.04906	3.2
223.46722	1.1
231.06526	48.5
241.04918	6.6
245.04594	1.4
258.05222	1.5
259.05997	57.3
259.14346	1.4
264.27106	1.2
269.04480	1.8
269.12823	2.2
277.07040	1.2
287.05429	20.2
287.13879	4.9
305.06363	12.9
305.09796	1.5
305.11884	1.3
305.15543	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	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18056	1.6
55.01862	1.4
56.96564	100.0
57.03436	2.1
60.95847	2.1
69.03423	2.7
70.06586	3.8
70.98119	17.8
71.04983	1.9
71.57036	2.2
71.57393	1.6
71.95258	5.6
72.04509	1.6
72.08147	4.1
72.96008	2.1
74.06055	1.4
74.97599	3.7
76.05112	4.4
81.04524	4.2
84.96029	5.7
85.02896	3.7
88.99160	11.3
91.59087	1.1
94.58323	1.3
95.06100	2.4
96.05608	3.5
97.02905	1.4
97.06511	2.7
98.97579	70.5
103.03917	2.0
107.00181	3.5
110.97564	7.2
111.05566	2.5
113.03479	2.2
115.02467	1.2
116.98618	48.7
118.04982	1.3
119.01923	2.5
120.52363	1.5
121.70586	1.2
123.05521	3.2
124.95455	4.0
125.07177	2.1
127.02081	2.2
127.03832	1.4
128.98602	12.8
131.00172	6.0
131.01819	1.3
133.01767	2.0
133.03473	1.8
134.99661	36.8
140.98605	2.9
141.06604	5.8
142.96515	10.5
143.00139	3.7
143.08156	6.5
144.98096	4.0
145.01776	3.4
146.99649	15.2
149.01219	3.5
153.00650	3.2
153.03738	1.5
158.01288	2.2
158.99640	11.2
160.07225	1.7
160.97626	11.1
161.01245	10.5
162.99159	4.5
165.00775	7.8
170.96039	2.1
170.99695	2.0
172.10800	3.2
172.97646	8.3
173.01274	2.8
174.99129	6.1
177.00705	16.0
177.09836	4.3
178.98627	2.9
179.02307	3.2
183.01810	1.6
184.97525	7.0
185.01239	2.5
186.99115	2.1
188.97052	19.6
189.00739	8.3
190.98633	37.3
191.02266	4.8
193.00224	10.2
195.01794	2.7
201.00728	2.6
202.98643	12.8
203.02238	11.1
203.07652	2.3
204.01761	1.7
205.00153	9.1
206.98111	16.5
207.01720	7.1
208.99698	11.1
211.01282	2.8
214.98589	7.2
216.03239	2.1
217.00192	2.2
219.01781	4.9
220.99675	12.7
221.03279	4.3
223.01218	4.0
224.99190	2.5
230.98152	15.0
232.99658	18.2
235.01230	4.3
237.02855	4.5
239.00677	2.9
245.03127	2.0
245.05368	1.5
248.99132	8.3
251.00674	5.2
256.01236	2.0
263.00793	11.6
273.15588	3.5
281.01825	21.0
287.16000	2.7
299.02872	6.0
304.03397	1.6
305.05331	10.8
305.12036	19.6
305.17731	2.8
323.06516	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	304.263
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03933	1.1
55.01856	1.2
55.05272	0.5
55.05510	7.7
57.07079	0.6
64.27051	0.4
65.03929	1.1
67.05502	24.3
69.07063	6.6
69.46339	0.6
69.46736	4.1
79.05067	0.7
79.05493	8.7
81.07053	16.3
83.08595	1.9
85.05283	4.3
86.06068	0.8
91.05473	4.1
93.07047	7.3
95.04959	1.3
95.07997	0.5
95.08604	9.7
96.08099	0.5
97.10131	0.7
98.06052	22.7
99.06857	0.8
105.07024	2.3
107.08605	3.1
109.06505	0.6
109.10162	3.9
112.07565	2.7
117.06985	0.6
119.08576	1.1
121.10128	2.0
123.11699	1.5
124.07579	0.6
124.11237	0.6
126.09091	0.8
128.51668	0.4
131.08536	0.8
133.10115	1.3
135.11679	0.7
138.09126	0.7
140.10699	1.0
145.10057	0.7
149.13287	0.6
152.10696	0.6
154.12288	1.1
168.13803	0.7
182.15407	0.6
182.71484	0.4
194.15396	0.9
196.16885	0.7
208.17018	0.9
222.18549	0.9
236.20026	0.9
271.21707	0.5
272.90927	0.6
304.26331	100.0
305.26712	4.3
329.26486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96080	1.2
56.05021	5.7
56.96560	23.9
58.06606	1.7
65.21729	1.1
68.05036	2.2
69.50824	5.1
69.51242	5.6
70.06586	10.4
72.08160	1.2
72.96037	1.6
74.97588	2.5
83.97623	2.5
84.04499	2.6
84.08145	2.4
84.44710	1.1
86.06060	7.1
97.99161	9.3
98.09724	1.1
100.03909	1.9
102.05542	2.9
109.99111	6.9
112.89611	10.7
114.05537	20.6
114.89326	7.7
114.99396	1.2
116.00224	14.8
116.33389	1.3
116.98664	1.3
117.00541	2.3
117.82327	1.2
119.03663	1.6
120.03271	2.9
124.07600	2.7
127.01846	1.6
128.00203	29.6
128.07121	1.5
128.98605	1.4
129.00534	6.4
129.06583	1.7
130.05058	1.7
132.03311	1.3
134.01260	17.4
135.01654	1.7
136.04541	1.4
137.04648	1.3
138.04253	3.0
141.10207	4.1
142.08688	2.7
143.01257	13.1
144.01569	3.7
144.03244	2.7
145.02838	45.3
145.09712	1.3
146.01250	84.1
146.03076	10.5
146.99782	2.4
147.01601	16.4
149.05917	3.7
149.93486	2.1
150.04274	2.4
152.02307	3.8
157.09763	2.7
161.02322	12.0
162.02745	2.3
162.04277	2.9
163.03912	43.0
164.02315	25.7
164.04355	8.1
164.07175	1.3
165.02603	6.8
168.11368	1.3
169.02829	3.2
170.03200	1.8
171.00797	4.3
175.11858	2.6
181.04924	1.9
185.05855	1.8
185.09207	51.9
186.05515	3.7
186.07570	2.4
187.03960	1.7
187.05598	2.2
188.04156	1.5
189.01810	46.1
190.00177	2.9
190.02142	12.5
196.10797	1.4
197.05855	7.0
203.06989	2.6
205.07033	1.2
207.02890	100.0
208.01268	3.9
208.03189	28.6
212.03348	6.9
214.08565	4.3
215.07005	5.2
216.05376	1.8
219.01982	6.8
220.02188	1.7
225.03931	4.9
226.04294	2.4
230.04526	4.4
231.04803	3.5
240.13333	2.0
240.27899	1.2
243.04689	1.5
244.02382	1.5
250.00920	1.3
256.97632	1.8
258.03909	2.6
258.07446	1.7
261.07742	1.6
269.02597	2.3
286.06937	3.1
286.13959	19.2
287.04221	7.7
298.98355	1.8
304.06561	35.7
304.15628	4.4
305.06104	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.0
56.33177	1.9
56.56207	2.4
57.03430	7.1
58.84654	2.0
60.04525	7.9
61.02914	5.4
69.03423	15.1
69.07065	48.8
70.76920	2.7
71.03616	7.9
71.08638	17.6
72.08143	6.6
73.02914	4.0
81.03410	7.6
84.04478	4.3
85.02900	77.9
86.02428	6.0
86.09700	4.0
96.08110	3.2
97.02892	47.0
97.03512	3.0
97.06525	7.0
99.04481	2.9
103.03941	7.4
105.28072	2.1
109.02892	14.8
114.09184	18.4
123.04414	6.6
124.03959	2.6
127.03931	14.6
138.09105	4.4
142.08633	100.0
145.04980	6.9
147.04417	2.7
149.02461	2.6
155.03406	5.3
166.08748	2.4
172.09741	2.4
180.10103	2.7
184.09694	91.2
208.09703	18.8
220.09523	2.8
230.05367	2.6
238.10809	2.8
250.10777	12.5
258.04800	2.8
268.09967	2.6
304.05338	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05505	5.2
57.03430	7.7
58.06585	3.2
58.40682	2.0
60.04533	12.9
60.04775	2.3
61.02924	4.3
61.51857	2.4
63.03251	2.1
65.03930	3.6
66.24993	3.0
67.01839	2.8
67.05499	3.1
68.99776	5.4
69.03425	20.0
69.07065	61.2
70.06586	8.5
71.01362	2.9
71.01962	2.4
71.04967	3.2
71.08640	23.1
71.16753	2.2
72.08147	5.9
73.02884	2.5
81.03410	13.1
81.06998	2.1
83.01359	3.1
84.04484	6.6
84.08146	3.3
85.02901	88.4
86.02414	10.1
86.06078	2.7
86.09695	5.3
87.04450	2.1
91.05499	2.8
93.17034	2.3
95.04969	5.3
96.04494	2.4
96.08090	3.6
96.48714	2.6
97.02291	3.4
97.02891	50.4
97.06553	5.2
98.97548	2.7
99.04444	3.8
103.03947	5.0
105.03391	3.8
109.02874	19.2
110.07125	2.7
111.04405	4.6
114.05513	3.4
114.09148	19.1
115.03886	2.7
121.02865	6.7
123.04417	44.3
124.07523	3.2
127.03920	20.1
130.06456	3.1
135.04424	3.1
137.02367	5.0
138.09146	8.0
139.03885	10.2
142.08630	100.0
145.04988	6.3
147.04395	7.0
149.02327	30.6
151.03868	4.7
153.01825	47.0
155.03381	9.6
156.10199	2.5
157.06442	3.2
163.03957	2.7
167.03371	4.3
168.06499	2.9
171.02881	5.1
184.09686	96.0
184.11348	4.5
185.05992	6.7
185.09259	8.4
195.02856	8.7
208.09688	17.6
213.05440	6.3
220.09663	4.0
230.05101	5.7
231.06575	17.0
250.10838	12.0
258.04919	4.5
259.05994	19.9
286.13788	3.0
287.05585	6.4
304.05289	51.5
305.06372	4.9
305.15451	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	304.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	19.5
61.23290	8.0
66.36957	7.6
70.06580	13.9
71.56138	10.0
72.08133	11.5
73.02912	7.6
75.64508	7.8
81.04516	12.8
85.02901	22.2
87.04502	7.8
98.97556	12.8
114.05547	10.2
116.07110	9.2
116.98619	14.7
125.97832	8.3
133.72896	8.4
140.08176	9.2
141.01221	8.6
143.08139	10.8
146.02913	13.1
146.99669	8.0
156.74240	7.2
185.09259	29.2
193.08821	7.7
201.00725	8.1
269.78912	8.9
286.14175	9.8
304.05231	10.4
304.07974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.1
55.01825	0.9
55.05444	1.9
59.04910	0.6
64.72243	0.5
65.03927	3.0
67.01790	0.5
67.05434	4.1
68.99724	2.8
69.03369	1.2
69.07000	1.4
69.87157	2.7
71.04950	0.8
74.47723	0.5
77.03840	0.5
79.05423	2.3
81.03349	1.4
81.07047	4.9
83.04903	1.8
83.08570	0.6
85.06488	0.5
91.05465	3.6
92.04930	1.7
93.03362	0.7
93.07025	3.0
94.06562	2.4
95.04978	3.6
95.08585	3.3
97.02820	1.1
97.06484	1.0
99.04362	0.5
103.05405	1.3
105.03293	0.7
105.07040	3.0
106.06513	0.5
107.04867	1.4
107.08583	2.4
108.08073	1.1
109.02800	0.8
109.06456	1.0
109.10083	1.4
111.00703	1.5
111.04359	2.3
115.05369	0.7
117.06955	1.2
119.04889	1.0
119.08591	2.4
120.04373	1.3
120.08040	0.9
121.02853	2.9
121.06432	1.4
121.10071	2.0
122.06048	3.9
123.04424	4.8
123.06669	0.5
123.08012	0.7
123.11667	0.5
124.07526	1.5
125.05909	1.4
125.09585	0.7
127.03828	1.0
128.06155	0.9
129.06934	0.9
130.06456	0.8
131.04892	1.3
131.08493	1.6
133.02826	0.6
133.10094	1.3
135.04347	1.6
135.08023	1.0
135.11632	1.2
136.07486	1.7
137.01387	0.5
137.02350	8.2
137.03391	1.2
137.05971	5.7
137.09549	0.5
138.05495	2.9
138.09119	3.8
141.06938	1.0
143.07327	0.6
143.08479	1.4
144.08041	1.0
145.06401	1.6
145.10052	1.8
146.09502	0.6
147.04349	0.6
147.11598	1.6
148.03864	0.9
149.02261	2.2
149.05936	0.7
151.03877	5.4
151.07510	1.3
153.01823	10.8
153.05380	3.5
153.06783	0.7
155.04814	1.5
155.08453	1.2
156.07962	0.6
157.10059	1.1
158.09619	0.8
158.41109	0.6
159.07930	0.6
159.11615	1.5
160.07529	0.6
161.05916	0.7
162.05478	0.5
162.09102	0.9
163.03896	2.6
163.11079	1.0
164.06985	2.2
165.01833	2.6
165.06947	1.5
166.05014	3.3
168.07990	0.6
169.10109	0.6
170.09610	0.9
171.09082	0.9
171.10393	1.0
172.11086	0.6
173.05898	1.4
173.07082	2.2
174.09108	1.2
177.05438	1.0
179.03401	4.0
181.06508	0.6
181.08688	0.5
183.02823	1.5
183.04352	1.1
183.07959	1.4
184.07545	1.3
184.11183	1.5
185.08302	0.8
185.10715	0.9
186.09091	0.8
186.11441	3.0
186.12851	1.2
187.03793	1.0
187.08624	1.8
188.10623	0.8
188.14386	0.6
189.10173	1.1
191.06990	0.6
194.09567	0.7
196.09921	1.5
197.05925	1.0
197.08278	1.2
198.09201	0.8
199.08601	1.5
200.09348	1.5
201.05443	4.2
201.10126	2.3
201.13870	7.2
202.12242	1.4
211.07436	1.5
211.12199	0.6
212.10693	5.9
213.10188	1.9
214.10747	1.6
214.12248	2.9
215.11815	1.0
216.10149	0.6
217.15865	0.5
219.06522	1.2
225.05389	1.1
227.08127	2.0
227.11816	0.6
228.04190	1.0
228.08914	2.5
229.04935	7.7
229.10023	2.5
229.13342	36.4
230.11891	2.4
230.13702	0.9
239.11833	1.3
240.10190	2.1
241.09775	1.4
242.05673	0.8
242.10251	2.7
243.06265	0.6
243.10568	0.9
247.06047	0.9
253.05066	0.8
255.11295	0.8
256.08401	1.0
257.04462	3.9
257.12833	100.0
258.10950	5.4
258.13287	2.5
259.14426	3.6
259.17987	0.5
267.11459	1.0
270.05151	0.6
271.05835	1.1
271.09698	1.5
274.04700	1.3
274.09534	0.7
275.09061	0.8
275.13956	1.7
285.03928	1.7
285.07452	1.7
285.12357	13.9
285.22232	0.8
286.10614	1.0
303.04999	81.3
303.08408	6.4
303.13342	25.5
303.16602	1.3
303.22992	2.8
304.05359	5.8
304.11624	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38619	0.4
53.24600	0.3
55.05499	0.7
65.03602	0.5
65.03935	5.6
67.05494	0.8
68.66413	0.3
68.70502	0.3
69.07051	1.1
70.06686	1.9
76.89561	0.3
78.90402	0.3
79.05469	0.7
81.07040	2.1
83.65299	0.3
91.05461	1.3
92.04997	5.3
93.07022	1.4
94.06564	0.8
95.04952	0.5
95.08597	0.9
96.08123	0.7
97.06506	0.6
105.07012	1.1
106.06516	0.4
106.07681	0.3
107.08546	0.5
110.06061	0.4
110.09653	0.4
119.08547	1.1
120.04422	0.8
120.08173	0.4
121.10125	0.4
122.09674	0.8
123.04395	0.6
123.06806	0.9
124.07616	0.5
132.08121	0.4
133.10075	0.5
134.05995	0.8
136.07542	0.5
138.05489	32.4
138.09128	13.6
144.08023	0.7
145.07530	0.3
145.08853	0.5
145.10088	0.5
147.11676	0.9
150.09120	1.9
152.03401	0.4
153.01778	0.4
153.06981	0.5
155.07277	0.4
156.08122	0.5
157.08852	0.4
157.10091	0.6
158.09563	0.5
163.05035	1.6
165.06955	0.8
165.12811	0.5
166.04987	52.0
167.05350	0.5
167.07083	0.5
167.08522	0.4
169.08859	0.9
170.09601	0.5
171.10364	0.6
172.11293	0.4
174.09145	0.5
181.08896	0.6
183.07916	0.4
183.09265	0.5
184.07578	0.5
184.11235	1.7
186.12827	0.8
196.09839	1.9
197.08276	0.5
198.09070	1.2
199.08546	0.6
200.07153	0.4
200.09404	1.3
201.10204	0.9
201.13892	0.8
202.12331	0.5
211.12245	3.0
212.07072	0.5
212.10696	4.9
213.06631	0.3
213.10283	0.4
213.13832	0.8
214.08942	0.5
214.12395	4.3
215.08208	0.4
224.09158	0.4
228.08846	0.7
229.09732	1.6
229.13254	3.6
230.11777	3.1
232.13335	4.2
239.08180	0.5
239.11784	2.4
240.07866	0.4
240.10023	2.1
241.13306	1.2
242.11900	3.1
243.11124	1.5
244.09648	0.6
247.10754	0.7
254.10457	0.4
256.08435	2.5
257.09225	2.7
257.12830	14.4
258.11136	0.9
258.13553	0.5
259.11948	1.6
259.14432	0.9
260.12811	4.1
267.11292	1.1
268.09601	1.2
271.09595	0.6
272.11542	16.7
274.06409	0.6
274.09451	12.3
275.10248	2.2
275.13870	10.3
285.12308	20.5
286.00949	0.4
286.10370	1.7
303.05029	1.9
303.13361	100.0
304.13672	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.03943	0.5
55.01862	1.1
65.03934	0.5
66.04716	1.0
67.05507	3.8
68.99802	1.1
69.07060	0.4
71.57568	0.5
79.05486	2.9
81.07045	2.3
90.04693	0.4
91.05518	1.7
93.07048	1.0
94.04190	2.5
95.04965	6.3
95.08593	0.7
103.05467	3.0
105.07025	2.3
107.04948	2.5
107.08595	0.7
109.06525	0.7
118.04159	4.7
119.04952	0.3
119.08591	0.7
121.06507	2.0
122.02862	0.5
122.03652	5.3
123.04423	100.0
124.04765	1.7
125.05955	0.4
129.82249	0.4
131.04921	4.4
133.02867	0.8
133.06483	38.3
134.06821	0.7
135.04433	1.2
137.05971	23.4
138.06303	1.1
139.03886	0.4
139.07512	0.5
143.08577	0.4
145.10081	0.5
147.04373	0.4
149.05986	5.9
151.03935	0.7
151.07443	0.4
153.01907	0.5
153.05441	1.0
155.06961	1.0
159.05557	0.5
161.05975	43.7
162.06316	1.0
165.05463	0.5
165.06667	0.7
166.05986	0.4
167.07031	62.9
168.07368	3.8
169.08116	0.4
177.05449	1.0
178.60722	0.3
179.03284	0.7
180.07762	1.2
181.08521	3.5
193.08589	6.6
285.07535	1.1
303.04959	2.3
303.08304	0.7
303.12094	1.1
303.16547	0.4
303.23276	0.5
304.05212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	Mucronulatol
Peak:m/z	Relative Intensity
55.01869	1.1
55.05506	0.6
56.96565	0.7
67.05491	4.0
68.99777	1.6
69.03414	0.7
69.07067	0.8
70.40213	2.1
76.89285	0.5
78.04704	2.3
79.05479	2.4
80.89350	0.6
81.07056	3.0
83.04935	0.9
83.08653	0.7
88.97594	0.6
91.05463	2.3
93.07053	1.6
95.04958	7.4
95.08600	2.8
103.05463	3.0
105.03389	2.3
105.07021	5.8
106.04169	2.8
107.04940	1.3
107.08594	1.0
109.06511	0.6
109.10126	1.1
115.05469	1.3
117.06924	0.6
118.04156	5.9
119.08574	1.3
121.06506	1.9
121.10082	0.9
123.04419	100.0
124.04746	1.1
131.04941	0.8
133.06483	30.6
133.10124	0.7
134.03633	5.5
134.06842	0.8
134.32668	0.5
137.02345	1.0
137.05931	0.6
138.90117	0.6
139.07506	0.7
145.10072	0.7
147.04399	0.8
149.05980	6.5
151.03886	1.1
152.04672	7.7
152.05850	0.9
153.01804	1.1
161.05981	12.4
162.06712	1.3
167.07027	69.0
168.07399	1.9
179.07054	1.2
181.08611	3.5
193.08565	7.6
229.04997	0.9
303.05011	7.1
303.08362	1.2
303.18369	1.2
303.23166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.1
55.05508	48.8
56.96564	10.8
57.03431	4.8
68.99788	5.8
69.03428	97.7
70.06587	15.2
71.04998	9.5
71.48147	6.1
71.48469	6.6
72.08147	10.0
73.06552	100.0
76.17094	6.4
79.05467	5.8
81.03417	38.1
84.08134	9.3
85.02905	24.3
86.09684	19.8
97.02894	25.0
97.06517	9.1
99.04440	18.7
101.06018	89.1
109.02888	10.6
110.07169	22.0
116.98602	8.1
125.42603	5.7
127.03912	33.8
137.02313	7.4
139.03900	6.4
142.27905	6.3
143.03372	27.0
160.17294	5.6
175.11940	6.4
189.12479	6.0
203.05344	7.1
213.03912	15.3
229.04913	11.8
231.04994	12.7
257.04462	6.2
285.09555	8.2
303.04990	69.2
303.10495	19.5
303.15872	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	303.0861
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03955	1.3
55.01858	1.8
55.05497	3.3
55.32314	1.0
56.96550	1.6
62.29619	1.1
64.11988	1.3
65.03938	16.7
67.05499	10.7
68.99790	4.6
69.03431	3.3
69.07069	3.4
70.00858	2.6
70.01270	3.7
71.04967	1.4
79.05487	5.6
79.53520	1.1
81.03403	1.6
81.07056	7.7
83.04983	2.2
83.08601	1.6
85.02911	1.6
91.05478	18.1
93.03399	5.7
93.07034	6.9
94.04192	1.4
95.04971	14.0
95.08599	21.0
97.02899	2.5
97.06521	1.1
103.05440	2.3
105.07033	6.1
107.04941	3.0
107.08591	5.7
109.02879	1.8
109.06504	3.3
109.10162	4.3
110.03658	3.4
111.00819	1.3
111.04436	40.4
115.05442	2.0
116.98619	1.4
117.07050	1.8
119.04938	9.5
119.08588	4.3
121.02843	1.7
121.06506	4.1
121.10133	4.6
122.03616	6.1
123.04422	72.9
123.08071	4.2
124.05296	1.5
125.05984	25.5
125.88860	1.2
127.03992	1.2
129.07042	2.2
131.04924	4.5
131.08566	2.9
133.06557	1.5
133.10130	2.4
135.04465	1.9
135.08037	4.8
135.11665	3.3
137.02339	2.3
137.05969	77.1
141.07014	4.2
143.08519	1.6
144.08073	1.7
145.06485	3.3
145.10103	3.2
146.09622	1.8
147.04341	2.0
147.11700	2.2
149.02321	1.2
149.05983	4.0
149.09541	1.7
150.06738	3.4
151.03893	100.0
151.07524	9.3
152.04417	1.1
153.01816	29.2
153.02998	1.9
153.05453	38.4
153.06772	2.5
153.09116	1.4
155.08585	2.0
157.06439	1.4
159.11673	2.7
161.09561	1.7
163.07530	2.1
163.11136	1.5
165.01826	1.5
165.05656	1.4
165.07019	3.9
168.05658	2.0
169.06511	3.5
169.10098	1.5
173.06038	1.7
174.09137	7.9
175.03899	2.0
177.05429	2.5
179.03386	94.7
183.08113	1.7
193.06471	1.3
197.05942	7.9
201.05469	2.2
211.07510	3.9
212.04741	1.3
213.05402	1.9
215.07050	2.1
215.10599	1.5
217.15938	1.3
218.08049	5.9
219.06554	5.2
225.05469	11.8
229.04955	5.1
229.08455	2.2
240.04295	1.2
242.05693	2.9
243.10068	3.0
253.04945	32.3
257.08154	5.9
267.06567	1.5
269.04526	5.2
270.05121	6.2
271.09653	3.3
275.09027	5.9
285.07578	24.8
285.12485	1.6
285.15744	1.8
285.18567	2.1
303.05008	34.6
303.08621	93.8
303.11938	3.2
303.19672	3.2
303.23303	4.1
303.26794	1.6
304.05429	1.9
304.08923	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	303.0862
Annotation	Quinquangulone
Peak:m/z	Relative Intensity
55.01855	0.6
55.05495	0.3
57.03429	0.2
63.02384	0.2
65.03926	0.5
67.05488	0.6
68.99773	0.7
69.03413	0.3
69.07042	0.4
69.48302	1.2
69.48709	0.3
71.04985	0.2
77.39401	0.1
79.05481	0.5
81.03404	0.6
81.07031	0.8
83.04992	0.7
83.08606	0.2
85.02908	0.3
89.03944	0.2
91.05484	1.3
93.03409	0.2
93.07024	0.5
95.04974	0.9
95.08590	0.6
97.02912	0.3
98.20750	0.3
99.04447	2.4
103.05440	0.3
105.03406	0.2
105.07010	0.6
107.04929	0.8
107.08561	0.3
109.02864	0.6
109.06494	0.3
109.10155	0.5
111.04454	1.3
115.05432	0.6
117.03322	0.1
117.06984	0.2
119.04951	1.3
119.08553	0.5
121.02815	0.3
121.06497	0.5
121.10136	0.4
123.04456	0.9
125.05959	0.2
127.03909	3.4
128.06235	0.2
129.06973	0.4
131.04922	0.3
131.08540	0.3
133.02887	0.8
133.06441	0.2
133.10124	0.3
135.04404	0.6
135.08089	0.3
135.11708	0.1
137.02341	0.4
137.05962	0.5
138.03105	0.3
141.07001	0.4
143.04926	0.3
143.08528	0.3
145.02826	0.6
145.06473	0.3
145.10138	0.2
147.04399	1.6
147.11732	0.2
149.05998	0.3
149.09615	0.2
151.02736	0.3
151.03900	5.3
151.05124	0.3
151.07507	0.3
153.01811	0.5
153.04034	0.4
153.05365	0.4
153.06926	0.8
155.08557	0.4
157.06462	0.5
159.04362	0.3
159.11713	0.2
161.02226	0.2
161.05951	0.2
161.09517	0.2
162.03075	0.4
163.03897	1.6
165.01791	0.4
165.05467	0.5
165.07002	0.6
167.07056	0.4
168.05701	0.3
169.10110	0.2
171.04382	0.3
171.08063	0.2
173.05956	0.3
175.03897	100.0
176.04251	2.1
177.05443	0.7
181.06493	0.7
183.08084	0.8
185.05948	0.7
188.04726	0.9
189.05428	0.3
193.04909	0.2
197.06021	0.2
199.07552	0.8
201.05457	4.1
203.03354	0.3
209.05974	0.4
211.07561	0.9
213.05505	0.7
215.03410	0.3
215.07083	0.4
217.04958	0.2
219.06462	0.3
225.05452	0.5
227.06975	0.6
227.14417	0.2
229.05101	0.4
229.08492	0.3
239.06940	1.0
243.06480	0.5
243.10147	0.4
245.08054	0.2
255.06532	0.8
257.04257	0.3
257.05801	0.2
257.07990	1.0
257.69843	0.2
267.06558	0.5
271.09653	0.7
285.07568	7.2
286.07886	0.3
303.04987	2.6
303.08591	7.7
303.12286	0.3
303.18066	0.3
303.23163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Ferreirin
Peak:m/z	Relative Intensity
53.03936	0.7
55.01876	1.2
55.05506	4.3
59.78783	0.5
64.76233	0.4
65.03941	0.8
67.01863	20.5
67.05498	2.1
68.99783	10.5
69.03420	3.0
69.07064	0.7
69.55182	0.7
69.55589	3.6
79.01859	1.0
79.05490	1.2
80.53179	0.5
81.03419	1.7
81.07043	4.3
82.06579	1.4
83.01340	1.6
83.04980	1.0
83.08625	2.0
89.03916	2.2
91.05479	3.5
91.58011	0.6
93.03423	0.7
93.07037	2.9
95.04978	1.6
95.08601	2.9
97.02906	2.5
97.06514	0.6
100.07601	0.7
100.11252	7.5
103.05462	0.9
105.07028	2.8
107.04918	0.5
107.08602	2.8
109.02878	0.7
109.06520	1.3
109.10165	2.2
110.06034	0.9
111.00787	1.3
111.04433	2.0
111.07996	0.6
117.03367	5.0
119.04934	1.3
119.08568	2.5
121.06501	1.5
121.10138	1.8
123.04411	2.8
125.02341	2.3
126.20837	0.7
127.03912	2.1
129.01828	1.4
131.04926	0.8
133.10136	2.0
134.03670	0.9
135.11653	1.5
137.02301	2.4
137.03346	0.5
137.05963	5.9
137.09602	1.0
139.04013	0.5
141.11476	1.2
143.08658	0.8
144.09341	0.6
145.02835	10.9
145.06558	0.5
145.10036	0.6
147.08060	0.7
147.11702	0.9
149.02286	0.7
149.05943	2.8
149.13359	1.0
151.03879	2.6
151.07535	7.9
153.01819	87.9
153.05443	1.8
154.02164	1.0
155.08557	0.9
155.11168	0.9
159.11646	0.8
163.03856	1.4
163.07581	0.6
163.11203	0.6
165.07036	1.0
171.02878	100.0
172.03236	1.3
173.05927	0.8
177.05464	18.1
179.03371	10.7
182.15401	2.6
183.04417	0.7
183.08044	1.1
187.03928	0.6
199.18077	0.8
201.05423	1.9
209.16472	1.7
210.14932	2.2
211.07529	1.2
213.17792	2.1
219.06609	1.0
227.17633	1.3
229.04945	2.8
242.05904	0.6
243.10210	0.7
257.04407	1.8
271.09634	1.7
285.04218	0.7
285.07489	2.9
285.12280	2.3
303.04932	27.5
303.08585	26.7
303.12979	2.0
303.16211	0.9
303.23151	2.0
304.05450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	Disporopsin
Peak:m/z	Relative Intensity
55.01861	1.1
55.05508	0.4
56.59518	0.3
65.03922	0.6
67.01862	8.5
67.05505	0.9
68.99780	5.6
69.03413	2.5
69.07037	0.6
69.22552	4.0
69.22958	0.5
70.06571	0.3
79.05485	0.8
81.03394	1.5
81.07051	0.8
83.01347	1.0
85.02906	0.5
87.25507	0.4
89.03905	5.9
91.05468	2.2
93.03386	0.4
93.07008	0.8
95.04947	1.2
95.08593	1.2
97.02893	2.4
103.05458	0.7
105.07003	0.6
105.59276	0.4
107.05019	0.4
107.08598	1.0
108.74775	0.4
109.02895	0.6
109.06496	0.5
111.00780	1.6
111.04432	2.3
115.05495	0.5
117.03371	13.8
119.04919	1.5
119.08591	0.6
121.02847	1.1
121.06467	0.6
121.10203	0.5
122.03633	0.5
123.04415	2.9
125.02307	0.6
125.05943	1.3
126.24265	0.4
127.03854	0.6
129.01854	0.7
130.06569	0.4
131.04881	1.0
131.08517	0.4
133.06398	0.4
133.10104	0.5
134.03641	1.7
135.04416	2.5
135.08107	0.4
137.02354	2.1
137.05962	5.6
145.02832	26.6
145.10120	0.6
146.03116	0.5
147.11586	0.5
149.05969	4.4
151.03903	2.9
151.07544	3.6
153.01816	100.0
154.02141	0.8
159.11630	0.5
162.03111	0.8
163.03903	2.2
165.01776	1.3
165.07059	0.6
166.02553	0.8
169.06306	0.5
171.02876	39.7
172.03209	0.6
173.06013	0.6
177.05460	39.5
178.05737	0.6
179.03374	9.8
183.08017	0.5
186.05511	0.9
187.03902	0.6
188.14218	0.6
191.06934	0.5
197.06050	0.5
201.05481	1.6
219.06520	1.6
229.04924	2.8
239.11674	0.6
247.05858	0.5
257.04471	1.6
261.07614	0.6
271.09543	0.7
274.04648	0.6
285.03958	0.8
285.07559	1.2
285.12341	1.3
303.04977	29.3
303.08624	42.2
303.12949	1.7
303.16318	1.2
303.23346	0.7
304.05246	1.1
304.08923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	3,7,2'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03939	1.8
55.05502	4.7
65.03932	19.0
65.83472	1.5
67.01879	1.2
67.05505	10.4
67.05814	1.9
68.99784	5.5
69.03414	2.7
69.07053	5.2
69.10529	1.4
70.06585	1.4
71.56543	1.7
77.15827	1.3
79.05467	6.1
81.03400	1.6
81.07047	7.6
83.04993	3.2
83.08591	4.7
91.05475	17.2
93.03386	6.3
93.07044	7.5
94.04157	2.7
95.04979	11.4
95.08601	21.4
97.02868	2.3
97.06522	3.2
103.05473	2.8
105.07037	6.9
107.04949	3.4
107.08598	6.7
109.06488	3.7
109.10149	6.0
110.03622	3.1
111.00832	2.8
111.03713	3.1
111.04440	44.5
115.05428	3.0
117.06939	3.2
119.04949	8.2
119.08559	5.6
120.08051	1.8
121.02894	1.8
121.06494	4.9
121.10127	5.6
122.03632	8.5
123.04418	78.6
123.08056	4.5
123.11689	1.5
125.05988	24.9
125.09589	2.6
127.03903	2.7
129.06992	2.7
131.04903	4.1
131.07283	2.2
131.08554	3.7
133.06415	1.5
133.10121	4.6
135.04434	3.7
135.08083	2.7
135.11623	2.0
137.02324	3.9
137.05969	77.1
138.06339	1.7
140.10629	1.7
141.06949	4.4
143.08551	3.1
144.08066	1.6
145.10097	2.9
146.09654	1.8
147.04422	2.2
147.08034	1.9
147.11668	2.1
149.05989	5.9
149.09518	2.5
150.06758	4.6
151.03896	98.3
151.07541	9.4
153.01828	30.2
153.05457	39.2
153.06755	2.4
154.05875	1.4
155.08585	1.8
159.11662	2.1
161.05960	2.3
161.09596	2.4
161.13176	1.5
163.03874	1.6
163.07521	2.2
164.07002	3.0
165.01764	1.3
165.06955	3.4
167.07060	2.0
168.05731	3.1
169.06459	3.9
174.09073	7.0
175.03891	2.8
177.05437	2.9
179.03384	94.0
183.08046	4.3
183.11621	1.3
187.07536	1.6
189.12720	2.3
196.05113	1.5
197.05980	10.5
201.05461	4.2
211.07520	4.7
213.05539	3.3
218.08098	7.6
219.06563	4.4
225.05452	13.3
229.04979	3.7
239.07260	1.5
242.05687	3.5
243.10097	2.6
253.04950	28.9
254.05551	2.2
255.06538	1.6
257.04477	1.7
257.08035	5.9
269.04468	2.9
269.32938	1.6
270.05252	5.0
271.09583	5.0
275.09195	5.1
285.07550	26.2
285.15836	1.7
288.09869	1.7
303.04968	35.6
303.08578	100.0
303.12048	3.8
303.19489	5.1
303.23230	3.8
304.05402	3.0
304.08905	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68256	1.9
56.96566	10.2
70.06583	2.2
71.47237	2.4
71.47582	3.3
74.97581	2.2
83.97633	2.7
97.99183	7.9
108.00182	1.9
109.99166	5.0
112.89616	21.2
116.00221	12.6
128.00194	31.6
129.98137	2.4
134.01245	9.8
143.01276	17.4
145.02834	50.7
145.03989	2.8
146.01254	59.1
161.02303	7.0
163.03873	36.7
164.02327	20.1
171.00749	4.1
186.05522	6.3
187.03873	3.6
189.01833	41.5
197.06146	2.3
200.03516	2.1
204.06578	2.7
206.07039	2.5
207.02885	100.0
212.03435	2.4
225.03941	5.8
230.04411	4.4
242.04471	5.6
244.02571	3.5
248.05533	2.3
258.03918	3.9
259.07123	3.0
260.05466	3.1
268.02539	2.1
286.03363	17.9
303.06125	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0856
Annotation	Penisimplicissin
Peak:m/z	Relative Intensity
53.03936	2.0
55.01862	4.0
55.05500	2.8
65.03934	3.2
67.05492	7.9
68.99796	3.6
69.03410	1.8
69.07058	2.2
70.15475	9.0
79.05484	8.8
81.07049	9.3
83.08694	1.7
91.05460	8.8
93.07052	4.4
95.04961	10.8
95.08598	5.2
105.07034	6.7
107.04934	22.0
107.05530	2.1
107.08590	7.9
109.02894	2.2
109.06509	9.9
109.10151	4.7
111.04437	13.6
115.05466	1.7
119.04943	5.5
119.08564	4.4
121.02843	2.5
121.06449	2.9
121.10149	4.7
123.04426	59.9
123.11668	1.9
125.06056	2.9
127.03838	1.9
131.04964	2.6
133.06474	4.8
134.03639	5.2
134.99631	1.7
135.04411	26.8
135.11696	4.0
137.02357	4.2
137.05968	51.0
139.03896	28.3
141.05458	35.1
145.06480	2.4
145.10091	2.3
147.11685	3.4
151.03931	2.5
153.05452	8.4
159.11676	2.5
161.05988	4.3
163.03908	22.9
165.05466	76.5
167.03389	16.4
167.07021	3.8
169.04993	1.9
169.06380	3.3
175.03973	3.2
181.04984	4.3
186.06693	2.7
187.03938	5.5
188.48805	1.8
193.04950	53.2
197.06000	5.3
214.06073	1.9
215.07069	3.8
225.05453	2.5
229.04955	3.6
229.08646	9.3
242.05751	5.7
243.06458	2.1
257.08087	7.2
257.22836	2.6
260.08353	3.7
270.05197	8.6
275.09100	4.4
285.07559	100.0
285.22229	1.9
286.07935	4.5
288.07916	8.0
303.05045	21.8
303.08768	80.6
303.15778	3.2
303.19705	2.6
303.23083	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03952	0.2
53.44102	0.1
55.01862	0.4
59.33105	0.2
65.03916	0.6
66.83866	0.2
67.01844	0.4
67.05481	0.2
68.99789	2.5
69.03404	0.2
69.24639	2.2
69.24969	0.4
71.01371	0.3
71.53339	0.2
72.15117	0.2
74.50366	0.2
81.03396	0.8
89.90199	0.2
93.03391	0.6
95.04968	1.2
98.21501	0.5
105.03391	0.4
107.04945	0.3
109.02861	1.4
111.00809	2.1
111.96154	0.2
115.05424	0.2
117.07035	0.4
119.47478	0.2
121.02872	2.7
123.04404	0.9
127.03887	0.9
131.04910	0.4
133.06485	0.3
135.04407	0.4
137.01241	0.4
137.02327	7.6
137.03389	0.5
137.05934	0.2
145.06459	1.2
147.04384	0.2
149.02370	1.1
153.01820	10.1
154.02124	0.2
155.04892	1.3
159.04388	0.4
161.05943	1.0
163.03876	1.3
165.01822	4.3
166.02620	0.4
167.03311	0.2
169.15125	0.2
171.02809	0.2
173.05966	1.9
177.05475	0.3
179.03426	0.4
183.02873	1.6
183.04440	1.3
184.50378	0.2
187.03833	1.0
191.03369	0.4
195.02905	0.5
201.05452	5.0
205.04979	0.5
211.03954	0.3
215.03313	0.3
219.02934	0.4
219.06517	0.7
228.04204	0.5
229.04958	10.3
239.03355	0.4
245.04494	0.3
247.05991	1.3
257.04416	5.6
258.04871	0.2
274.04727	1.3
275.05386	0.4
285.03909	2.3
286.04373	0.3
300.22925	0.2
303.04968	100.0
304.05273	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.80642	0.2
55.01860	0.5
65.03927	0.6
67.01849	0.3
67.05493	0.4
68.76978	0.3
68.99787	2.4
69.03402	0.2
70.70330	0.6
79.05463	0.3
81.03406	1.0
91.05462	0.2
93.03394	0.4
95.04954	1.0
105.03370	0.3
107.04942	0.3
109.02843	1.1
111.00822	2.3
111.04422	0.3
115.05433	0.3
117.06988	0.5
121.02868	2.6
123.04421	0.7
127.03915	0.5
131.04929	0.5
133.06491	0.3
135.04387	0.7
137.02333	8.0
137.03395	0.5
137.05956	0.3
142.47145	0.2
145.06456	1.0
149.02332	1.2
151.71553	0.2
153.01826	12.1
154.02150	0.4
155.04930	1.4
155.05978	0.3
159.04437	0.3
161.05960	0.6
163.03908	1.4
165.01822	4.3
166.02565	0.6
173.05963	1.7
177.01797	0.2
179.03406	0.4
183.02879	1.6
183.04427	1.0
187.03918	1.1
191.03432	0.4
195.02943	0.5
201.05460	5.0
205.04976	0.8
207.02884	0.3
211.03906	0.3
213.05476	0.2
215.03442	0.2
219.02852	0.3
219.06532	0.7
228.04114	0.6
229.04956	10.7
230.05371	0.3
239.03487	0.4
245.04584	0.4
247.05971	1.5
257.04440	6.4
258.04816	0.2
274.04788	1.4
275.05420	0.7
285.03955	2.8
303.04974	100.0
304.05344	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01847	0.5
58.12299	0.2
65.03937	0.9
67.01850	0.7
67.05486	0.5
68.99786	2.7
69.00131	0.3
69.03419	0.4
69.25790	2.1
71.04967	0.2
75.94106	0.2
81.03406	1.1
83.38371	0.2
86.09682	0.5
91.05455	0.8
93.03380	0.6
93.07021	0.3
95.04954	1.2
95.90372	0.2
105.03364	0.3
105.07004	0.3
107.04947	0.3
109.02870	1.3
111.00791	2.4
111.04417	0.3
115.05442	0.5
117.07021	0.7
119.08672	0.2
121.02872	2.7
123.04415	0.9
127.03909	0.8
127.85858	0.2
128.06219	0.3
129.06985	0.6
131.04916	0.6
133.02896	0.4
135.04384	0.6
137.02348	9.5
137.03404	0.6
143.04901	0.3
143.11823	0.3
144.12076	0.3
145.06497	1.2
149.02341	1.0
151.03917	0.3
153.01828	11.5
153.06915	0.3
154.02121	0.3
155.04903	1.4
159.04373	0.4
161.05975	0.9
163.03896	1.5
165.01859	4.2
166.02615	0.6
171.02803	0.4
171.08057	0.3
173.05992	2.0
177.01817	0.3
177.05467	0.3
179.03343	0.4
183.02881	1.8
183.04428	1.1
187.03886	1.2
191.03401	0.3
195.02855	0.5
199.07616	0.3
201.05467	5.3
205.05011	0.6
211.04016	0.4
213.05522	0.4
215.03403	0.3
217.04994	0.2
219.02928	0.4
219.06528	0.6
228.04231	0.8
229.04959	11.2
230.05338	0.3
232.03740	0.3
239.03333	0.5
245.04346	0.3
247.05981	1.6
257.04456	5.9
258.04968	0.3
274.04770	1.6
275.05362	0.4
276.90268	0.2
285.03973	2.7
285.12350	0.3
303.04987	100.0
304.05310	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14164	0.2
53.18599	0.2
55.01860	0.5
60.85400	0.2
65.03918	0.9
67.01868	0.4
67.05495	0.5
67.27142	0.2
68.99780	2.3
69.03426	0.4
70.34663	1.0
81.03403	0.8
91.05431	0.2
92.65897	0.2
93.03382	1.0
95.04958	0.9
105.07094	0.2
107.04935	0.4
109.02882	1.2
111.00794	2.3
121.02865	2.3
123.04398	0.9
127.03922	0.7
131.04947	0.5
135.04396	0.4
137.02339	7.6
137.03374	0.4
138.02641	0.3
145.06493	0.9
147.46724	0.3
149.02354	0.6
153.01828	10.9
155.04869	1.3
157.06442	0.4
159.04306	0.3
160.35059	0.2
161.05952	0.6
163.03947	1.4
165.01826	3.9
166.02597	0.7
173.05974	1.7
177.01839	0.3
179.03363	0.7
183.02872	1.8
183.04422	1.1
183.54694	0.3
187.03917	1.1
191.03391	0.4
191.07086	0.3
195.02992	0.3
201.05457	4.3
205.05034	0.6
211.03900	0.3
215.03442	0.4
219.06549	0.8
228.04115	0.6
229.04961	9.9
239.03508	0.3
241.58919	0.3
247.06046	1.7
257.04425	4.6
257.12939	0.4
274.04773	1.2
275.05521	0.3
285.03973	2.3
303.04980	100.0
304.05325	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01865	0.5
57.92379	0.2
64.27102	0.2
65.03939	0.8
65.82732	0.2
67.01861	0.4
67.05492	0.2
68.50425	0.2
68.99792	2.5
69.03423	0.2
69.23647	2.1
69.23994	0.3
79.05439	0.2
81.03407	0.9
91.05499	0.2
93.03397	0.6
95.04971	1.1
105.03392	0.5
107.04945	0.2
109.02879	1.3
110.03695	0.2
111.00803	2.1
115.05450	0.3
117.06995	0.5
119.04991	0.2
121.02856	2.4
123.04436	1.0
127.03918	1.0
131.04907	0.5
133.02785	0.2
133.06424	0.2
135.04419	0.6
137.02338	10.1
137.03391	0.6
145.02928	0.2
145.06458	1.1
149.02371	0.9
153.01820	12.0
154.02182	0.2
155.04912	1.7
157.06520	0.2
159.04364	0.3
161.06038	0.9
163.03923	1.8
165.01828	4.2
166.02576	0.6
171.02928	0.2
173.05994	1.8
177.01793	0.2
177.05411	0.3
179.03404	0.5
183.02887	1.7
183.04434	1.1
187.03958	1.3
191.03320	0.3
195.02913	0.4
201.05467	5.2
203.03461	0.2
205.04944	0.4
207.02844	0.2
211.03793	0.4
215.03444	0.3
219.02852	0.3
219.06499	0.5
228.04109	0.8
229.04958	9.9
230.05362	0.4
233.04294	0.3
239.03360	0.5
245.04623	0.3
246.05414	0.2
247.05923	1.4
257.04425	5.8
258.04874	0.3
274.04755	1.5
275.05447	0.4
285.03995	2.6
286.04425	0.3
302.03683	0.2
303.04971	100.0
304.05322	3.8
311.46295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87452	0.2
55.01867	0.4
60.42429	0.2
65.03935	0.3
67.01886	0.3
67.05494	0.3
68.99785	2.4
69.26288	2.4
74.59164	0.2
81.03398	0.8
93.03382	0.7
95.04960	0.8
105.03426	0.2
109.02897	1.2
110.03644	0.3
111.00817	1.8
111.46841	0.2
115.05440	0.4
121.02856	2.1
123.04410	0.7
127.03889	0.6
128.06227	0.2
131.04950	0.4
135.04379	0.3
137.02341	7.7
137.03403	0.4
144.07127	0.2
145.06476	0.7
149.02315	0.5
153.00566	0.5
153.01820	9.5
155.04915	1.0
159.04401	0.3
161.05911	0.6
163.03864	1.2
165.01822	3.5
165.03093	0.4
166.02606	0.3
173.05991	1.8
179.03427	0.4
183.02890	1.3
183.04431	1.0
187.03911	0.8
191.03403	0.5
195.02838	0.4
201.05461	4.4
211.03879	0.3
213.05432	0.3
219.02888	0.3
219.06523	0.4
228.04172	0.7
229.04939	9.4
230.05280	0.3
239.03380	0.4
247.06111	1.2
251.43645	0.2
257.04431	4.9
274.04700	1.0
275.05408	0.3
285.03946	2.3
303.04984	100.0
303.14029	2.1
304.05356	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
55.01862	0.4
65.03933	0.6
67.01871	0.3
67.05492	0.5
68.99784	2.9
69.03419	0.3
70.20930	0.6
79.05470	0.3
81.03426	0.9
81.07035	0.4
85.27382	0.2
91.05483	0.3
93.03379	0.7
93.07033	0.2
95.04944	0.9
97.02908	0.2
100.25690	0.2
105.03401	0.4
105.06993	0.2
107.04977	0.2
109.02892	1.2
111.00790	2.2
111.04429	0.3
115.05462	0.4
117.07016	0.7
121.02861	2.4
123.04412	0.7
127.03914	0.7
131.04906	0.7
133.06429	0.2
135.04414	0.4
136.07558	0.5
136.88121	0.2
137.02335	8.9
137.03349	0.4
137.05983	0.3
145.02855	0.2
145.06448	1.1
146.05968	0.5
149.02309	0.8
151.03905	0.3
153.01817	11.1
154.02209	0.2
155.04889	1.6
155.06076	0.4
157.06538	0.3
159.04352	0.2
161.05984	0.9
163.03914	1.3
164.07039	0.4
165.01823	4.4
166.02602	0.6
167.03319	0.3
171.02887	0.5
173.06023	2.0
177.05475	0.3
179.03416	0.5
183.02864	1.5
183.04428	1.2
187.03912	0.8
191.03395	0.5
191.07018	0.3
195.02876	0.5
201.05440	4.9
201.07195	0.4
202.05873	0.3
203.03191	0.3
205.04924	0.6
207.02806	0.2
211.03922	0.4
213.05368	0.2
217.04953	0.3
219.02946	0.3
219.06525	0.7
228.04143	0.6
229.04944	10.5
229.13478	0.3
230.05435	0.3
239.03476	0.4
240.59328	0.2
243.11215	0.4
245.04431	0.3
247.05956	1.5
257.04422	5.4
257.07108	0.4
257.12830	1.1
258.04871	0.4
259.14496	0.3
274.04745	1.8
275.05316	0.3
285.03864	2.6
285.12350	0.6
303.04959	100.0
304.05292	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61203	1.1
53.48173	1.1
56.96569	2.7
69.91185	5.9
80.23267	1.0
98.20808	1.2
98.97606	4.5
116.98624	3.6
119.01927	7.9
122.92702	1.1
134.99643	5.6
137.02951	3.7
143.92651	1.3
150.51439	1.0
152.66077	1.1
177.00935	17.1
178.01099	4.7
179.00745	4.4
217.04153	2.1
218.03665	1.4
219.02014	30.5
220.02063	5.6
221.01756	10.2
222.01863	2.4
225.01059	2.2
234.99875	2.1
236.99689	2.6
243.02072	4.5
244.02228	1.7
261.03043	100.0
262.03171	27.8
263.02802	7.2
277.01022	2.5
279.00388	2.1
279.03369	1.4
283.00153	2.2
284.04639	5.2
284.99893	1.4
301.01077	5.2
302.97543	1.5
303.00925	6.0
303.05627	6.8
320.98111	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	302.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.3
56.77734	0.6
56.96548	1.6
57.03417	2.3
61.02919	2.9
69.03425	4.9
70.06580	1.8
71.35419	0.9
71.35750	1.2
72.08156	0.7
73.02892	1.9
81.04534	42.4
84.08147	0.7
85.02892	5.4
86.09695	1.0
87.04473	0.9
87.72536	0.6
97.02869	2.4
98.97584	2.4
109.02863	0.9
110.07158	1.3
116.98646	1.6
119.01835	1.5
122.07140	30.3
124.08687	0.8
127.03917	1.7
128.02267	1.4
134.06006	2.5
136.49292	0.7
140.08176	100.0
141.08501	0.8
145.02733	0.9
146.99603	0.9
152.07063	4.5
164.07045	1.1
177.00731	0.9
191.03795	0.7
191.95027	0.6
192.02811	1.3
197.94826	0.6
213.03500	0.9
237.14830	0.7
270.14554	1.0
273.09061	2.1
302.13440	77.0
303.13840	2.3
309.23459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54746	0.5
51.34254	0.5
53.03933	0.6
54.03455	2.1
54.21476	0.5
55.01853	0.8
56.96332	0.6
56.96560	5.9
57.03413	2.6
57.62417	0.6
60.30486	0.6
61.02923	3.0
69.03429	5.9
69.07063	1.1
70.06565	2.2
70.98102	1.0
71.04953	0.6
71.40375	1.0
73.02923	2.8
81.04537	56.9
82.05293	0.8
83.06091	1.7
84.08107	0.7
84.95987	0.9
85.02897	6.1
86.09661	1.0
86.61465	0.6
87.04464	0.6
88.03936	0.5
93.04499	0.7
94.06560	0.7
94.75395	0.5
95.06069	2.1
97.02903	3.4
98.97608	2.9
99.04437	0.8
107.06054	1.9
108.08086	1.0
108.36012	0.5
109.02832	1.1
110.07155	10.5
114.80222	0.6
116.98589	1.5
119.01877	1.2
122.06033	3.1
122.07146	30.4
124.08681	1.0
127.03944	1.1
128.98627	0.7
131.05876	0.6
132.88829	0.6
133.03426	0.7
134.05966	1.7
134.99678	0.7
140.08174	100.0
141.08633	1.4
146.99602	1.0
149.01184	0.8
152.07059	2.2
156.07610	1.3
161.01158	0.7
161.77278	0.7
163.02663	0.8
165.00742	1.2
170.05234	0.6
178.04994	0.7
179.11783	4.4
182.09317	0.7
183.04181	0.9
189.00702	0.7
193.00171	0.8
206.12901	1.8
224.13982	1.2
237.02885	0.9
239.91879	0.6
252.13443	1.5
256.16815	0.7
270.14523	1.8
273.08875	0.9
279.75220	0.6
284.16183	0.9
302.13498	62.1
302.17001	6.1
303.13818	2.1
312.57764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.3
56.77734	0.6
56.96548	1.6
57.03417	2.3
61.02919	2.9
69.03425	4.9
70.06580	1.8
71.35419	0.9
71.35750	1.2
72.08156	0.7
73.02892	1.9
81.04534	42.4
84.08147	0.7
85.02892	5.4
86.09695	1.0
87.04473	0.9
87.72536	0.6
97.02869	2.4
98.97584	2.4
109.02863	0.9
110.07158	1.3
116.98646	1.6
119.01835	1.5
122.07140	30.3
124.08687	0.8
127.03917	1.7
128.02267	1.4
134.06006	2.5
136.49292	0.7
140.08176	100.0
141.08501	0.8
145.02733	0.9
146.99603	0.9
152.07063	4.5
164.07045	1.1
177.00731	0.9
191.03795	0.7
191.95027	0.6
192.02811	1.3
197.94826	0.6
213.03500	0.9
237.14830	0.7
270.14554	1.0
273.09061	2.1
302.13440	77.0
303.13840	2.3
309.23459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80360	1.0
53.03930	1.3
55.01850	1.8
55.05486	1.3
56.05027	1.3
56.96546	2.8
57.03426	1.8
61.02910	2.7
61.04626	0.9
65.03927	1.6
65.83045	0.9
67.05502	18.8
68.99784	4.1
69.03420	10.8
69.07060	11.1
70.06564	3.5
71.04972	1.2
71.23642	0.9
71.23981	2.2
72.08131	3.1
73.02896	1.3
79.05490	1.1
81.03400	5.2
81.07043	2.2
84.04507	2.8
84.08129	4.8
85.02905	25.9
86.09700	6.2
88.07655	1.1
93.03359	1.4
93.07055	0.9
94.06516	1.0
95.04964	28.0
96.05315	1.4
97.02879	20.1
99.04440	1.6
99.74117	0.9
103.03947	1.3
103.05483	1.1
107.08594	1.9
109.02878	5.7
110.06030	1.3
111.00767	1.7
112.07604	14.9
113.05989	1.5
117.06969	1.7
121.02853	2.7
121.06499	1.1
123.04391	2.1
124.07574	3.2
126.69772	1.0
127.03899	6.4
129.10204	2.4
130.05011	1.3
130.06485	2.5
131.04959	1.0
134.05954	1.9
136.07576	1.5
137.02359	9.0
137.03374	2.0
137.05968	4.4
140.07051	40.5
141.07407	1.6
145.04970	2.1
145.06425	2.2
146.05997	1.0
150.09015	1.1
151.03813	1.0
152.07080	1.4
153.01823	13.7
154.08595	2.9
155.04903	2.4
161.05920	1.9
163.03912	2.0
163.07526	2.2
165.01871	4.6
173.05954	1.7
178.08647	1.4
182.08116	29.9
183.02835	2.1
183.04401	1.2
187.03961	1.3
201.00758	1.0
201.05417	5.2
206.08145	8.1
213.09221	1.2
218.05412	1.2
218.08116	1.2
228.04095	2.2
229.04955	11.9
246.04900	1.7
247.05840	1.6
248.09131	4.2
257.04495	5.1
274.04443	4.2
284.02710	1.2
285.03784	2.7
301.03354	3.3
302.04053	13.6
302.15094	1.1
303.04965	100.0
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	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
53.03925	5.8
53.79391	5.2
55.05496	13.2
57.02612	4.5
57.07061	9.3
64.54500	6.2
67.05493	24.3
69.03426	8.7
69.07056	15.8
69.28944	22.8
69.29371	40.4
71.05000	6.5
79.05478	24.1
81.07056	29.3
83.04983	8.8
83.08604	6.6
85.06518	6.8
91.05466	24.8
93.07047	32.8
95.04946	19.1
95.08585	21.3
97.06540	10.5
97.10145	8.0
98.21539	11.2
105.07028	50.4
107.08571	39.7
109.06507	24.1
109.10153	30.9
117.07004	9.0
119.08583	57.3
121.06486	13.4
121.10130	29.0
123.08031	8.5
129.06964	10.0
131.08551	57.0
133.10094	28.6
135.08060	19.9
135.11661	8.5
142.07816	6.3
143.08571	29.5
145.10109	38.8
147.11658	13.8
149.13245	6.7
156.09290	6.2
157.10098	20.8
158.10892	13.8
159.11661	13.5
161.09604	54.2
169.10152	7.4
171.11653	21.2
173.13251	100.0
175.11092	5.5
175.14830	19.3
179.08563	8.0
183.11723	9.6
185.13280	15.1
187.14745	10.7
191.14316	25.2
199.14815	9.0
209.13290	14.8
217.15964	8.3
227.14256	10.2
247.98669	5.5
255.21036	20.2
265.19519	9.2
283.20517	25.2
286.19403	6.3
301.06985	8.7
301.21600	54.2
324.70264	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	301.216
Annotation	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
51.77992	3.6
53.03943	7.2
55.01867	6.9
55.05518	21.3
57.03424	7.9
65.03920	5.8
67.05502	67.3
69.07059	28.4
69.10365	3.5
71.04969	7.2
71.19337	8.9
79.05472	20.5
81.07043	43.1
85.52171	3.8
91.05458	26.5
93.07035	32.7
95.04972	30.4
95.08601	32.6
97.06516	4.4
97.10139	4.2
105.07022	19.9
107.04942	4.1
107.08588	42.3
108.70318	3.7
109.06498	19.5
109.10150	100.0
117.07001	8.5
119.08572	64.9
121.06443	5.9
121.10141	12.8
122.07329	5.5
123.08089	26.2
123.11689	4.8
125.09584	5.1
131.08572	11.1
133.10101	12.5
135.08031	35.7
135.11674	7.7
137.09610	64.9
145.10126	17.5
147.08017	5.2
149.09586	4.8
159.11757	7.7
161.09583	17.9
161.13222	7.7
163.11194	9.0
165.12840	6.0
171.11647	5.6
173.13252	5.5
175.14810	3.9
180.50356	4.5
185.13261	4.6
185.40701	3.8
191.12646	3.8
191.14291	93.2
191.16049	6.2
205.15828	11.1
213.12631	4.8
217.15825	6.1
221.15393	5.9
283.20367	8.6
286.04688	5.1
300.57361	3.8
301.06921	9.1
301.21658	61.6
301.24982	6.7
302.22107	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01868	22.7
55.05509	19.6
57.03432	30.2
58.47842	3.0
65.03921	9.1
67.05170	5.0
67.05496	57.2
68.99783	3.7
69.03410	13.1
69.07069	24.7
69.24055	3.1
70.06586	8.5
70.82868	10.2
71.04968	9.2
73.13446	3.0
74.02435	8.2
79.05486	60.4
81.03397	12.2
81.07053	60.3
83.04964	29.8
83.08629	3.7
84.08140	4.1
85.02888	5.8
85.06535	8.3
86.09688	10.0
91.05482	33.2
93.06470	5.9
93.07036	81.5
95.01333	3.3
95.04965	20.1
95.08603	28.1
96.70547	2.7
97.06536	19.5
99.04458	5.8
105.07007	20.0
107.04953	42.2
107.08593	38.5
109.02799	3.5
109.06499	14.5
109.10155	8.5
111.04443	28.8
111.08076	10.5
111.93069	2.8
112.07633	3.4
113.06021	3.3
115.05447	9.9
117.07001	19.5
119.08554	21.8
121.02849	6.3
121.06499	8.4
121.10125	58.6
123.04449	4.0
123.08086	7.2
129.05469	5.2
129.06996	3.3
130.06520	12.5
130.07741	3.3
131.04906	4.9
131.08559	17.9
132.08151	3.3
133.06413	3.4
133.10141	7.7
135.08069	7.6
135.11665	34.9
137.05952	7.0
139.07413	5.0
139.11115	4.2
142.06572	2.7
143.05992	3.0
143.07248	3.7
143.08481	4.9
144.08052	22.9
145.06471	10.6
145.10115	41.5
147.04399	4.4
147.08130	4.5
149.05927	4.3
149.09615	13.2
153.01807	9.7
153.12732	12.8
155.08568	7.6
163.11176	74.1
165.07019	3.2
167.10651	12.0
169.08627	26.3
170.06018	9.5
171.09315	3.3
173.09625	32.4
181.06555	4.2
181.12234	28.0
183.02882	3.3
189.05576	3.9
191.10684	34.6
209.11734	17.8
217.04948	14.2
227.12718	12.7
241.08820	4.0
241.13303	19.3
243.08810	4.2
245.04442	10.4
255.11246	9.8
273.03976	21.4
283.15341	8.4
285.04034	4.3
286.04712	4.2
301.03387	41.6
301.07001	24.7
301.11057	12.6
301.16510	100.0
301.21875	5.4
302.04138	9.1
312.90958	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01862	24.5
55.05506	22.6
57.03436	40.9
57.07061	3.1
59.04998	2.6
65.03931	7.7
65.05276	2.7
67.05500	90.7
69.03425	3.2
69.07056	19.2
69.26299	5.0
69.26702	29.9
70.06580	5.1
71.04982	12.1
73.02915	2.9
79.05489	100.0
81.03404	12.0
81.07048	67.8
83.04972	43.2
83.08608	8.2
83.99737	3.0
85.02903	5.1
85.06527	11.3
91.05475	49.6
93.03374	3.7
93.07039	83.3
95.04960	30.5
95.08608	31.3
97.02933	3.2
97.06528	24.7
97.10168	2.9
99.04436	6.6
103.81370	3.0
105.07021	22.6
107.04948	63.4
107.08585	37.5
109.06499	9.0
109.10140	6.5
111.04445	46.0
111.08073	11.9
115.05405	3.5
117.07021	28.1
119.08559	27.1
121.06471	8.0
121.10130	71.0
123.04473	3.2
123.08027	7.1
125.05966	5.0
129.01985	2.9
129.07019	7.3
130.06558	2.6
130.07790	4.8
131.04921	8.0
131.08568	21.4
132.36617	2.6
133.10078	3.8
134.03603	4.4
135.08044	9.2
135.11684	57.4
143.08577	3.5
145.06509	15.0
145.10109	73.7
147.08015	8.2
149.09616	13.3
153.01846	7.9
153.06944	7.6
153.12712	20.6
155.08522	16.2
157.06429	3.4
163.11162	92.5
164.53038	2.8
173.09604	52.4
174.09961	3.3
181.06419	5.6
181.12244	36.2
191.10631	44.5
195.07741	2.9
198.06783	4.9
209.11673	14.2
211.07733	3.5
217.04947	4.4
226.06190	3.4
227.06805	3.9
227.12767	26.4
229.04929	6.8
240.07343	4.7
241.04951	4.7
241.08575	10.1
243.06450	3.6
254.30803	3.5
265.14383	3.9
269.04456	7.2
269.08072	5.5
271.06235	3.3
283.15353	10.2
286.04608	8.5
286.07953	10.9
301.03516	7.8
301.07025	41.5
301.10620	22.0
301.16440	57.0
301.21518	4.5
302.04266	3.9
302.16754	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.7
55.01863	22.4
55.05510	21.6
57.03194	3.3
57.03436	40.8
57.26450	1.9
65.03923	7.3
67.05502	88.5
69.03434	4.5
69.07063	19.4
69.49885	17.9
70.06584	2.4
71.04971	7.7
79.05487	100.0
81.03425	11.8
81.07053	57.0
83.04980	40.1
83.08602	6.2
85.02884	7.7
85.06533	9.6
90.06410	2.3
91.05477	55.6
93.07040	87.9
95.04961	29.4
95.08610	26.3
96.10557	2.2
97.06525	22.4
99.04438	9.4
105.07018	21.7
107.04948	64.5
107.08579	35.4
109.06519	7.9
109.10141	8.7
111.04430	43.5
111.08069	12.2
113.06001	3.8
115.05451	3.1
117.07012	27.9
119.05042	2.3
119.08585	27.0
121.06495	9.4
121.10130	65.6
123.04430	4.3
123.08043	5.4
124.01565	2.7
125.06003	5.2
128.06189	2.8
129.06975	7.4
130.07759	5.8
131.04903	7.5
131.08568	17.3
133.10086	3.4
134.03618	6.1
135.04407	2.2
135.08041	5.3
135.11687	54.9
137.05948	11.2
142.66177	2.0
143.08527	4.8
145.06456	13.2
145.10114	63.0
147.08049	5.4
149.09584	10.2
153.01831	17.5
153.05449	4.7
153.06873	2.7
153.12718	25.2
155.08575	14.3
163.11168	82.0
170.02139	3.3
173.09624	51.4
177.05437	5.3
181.12231	37.0
185.05843	3.0
191.10674	45.4
209.11713	12.4
213.05496	7.5
227.12782	21.4
229.04947	15.1
230.05704	5.9
241.04903	18.3
245.08072	2.4
258.05322	3.3
269.04443	19.4
283.15427	8.8
285.03949	3.9
286.04736	24.9
294.19958	2.3
301.03708	4.6
301.07065	87.3
301.10648	3.9
301.12775	3.4
301.16406	56.9
302.07291	5.3
313.04169	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.3
55.01870	28.4
55.05507	26.0
57.03198	3.9
57.03434	52.8
65.03922	8.8
67.05499	96.3
69.03436	3.8
69.07062	18.8
70.03917	14.3
70.06582	2.4
71.04970	10.7
73.02897	4.9
79.05486	100.0
81.03424	15.8
81.07049	72.6
83.04974	48.4
83.08591	7.3
85.02891	4.7
85.06522	9.8
91.05471	47.4
93.03383	4.9
93.07034	90.0
95.04951	34.0
95.08604	31.0
97.06513	29.4
98.20852	3.1
99.04482	12.4
103.05446	5.8
105.07024	25.9
107.04946	65.9
107.08579	43.1
109.06518	6.4
109.10136	11.1
110.99145	2.7
111.04428	55.3
111.08058	10.5
113.06026	3.6
115.05449	3.8
117.06999	25.9
119.08569	28.4
121.06482	10.3
121.10127	69.0
123.04398	4.0
123.08044	7.2
125.05967	4.7
129.05463	3.1
129.06995	7.6
130.07788	7.7
131.04913	7.4
131.08545	19.7
133.10098	3.4
135.08041	4.2
135.11679	56.9
137.02306	6.9
143.08635	2.8
145.06454	14.3
145.10114	76.1
147.08040	8.5
147.11652	3.2
149.05920	3.3
149.09602	9.5
153.01825	4.5
153.12749	26.5
153.34364	2.7
155.08531	11.6
158.07240	2.7
163.11168	96.4
173.09598	48.2
181.12222	38.7
184.12381	2.4
191.10651	43.1
209.11734	20.3
213.05363	4.5
227.12750	18.5
245.04375	6.5
256.64999	3.2
269.04422	4.2
273.03983	6.4
273.12466	3.4
283.15308	7.1
286.04562	7.5
301.03391	8.6
301.06989	21.3
301.10825	5.9
301.16467	47.4
302.04208	15.0
302.07220	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04453	4.8
53.03939	10.6
55.01865	24.7
55.05513	32.7
57.03438	43.6
64.85915	5.5
67.05502	94.6
69.07051	16.1
70.64645	18.0
70.83053	5.4
71.04994	17.3
79.05495	100.0
81.03392	11.6
81.07055	67.3
83.04974	43.2
83.08608	11.8
85.06518	12.7
87.04536	4.9
88.98788	5.1
91.05491	56.4
93.07037	93.0
95.04963	36.0
95.08614	37.5
97.06522	27.0
99.04477	6.3
105.07028	22.7
106.74534	5.8
107.04957	66.4
107.08583	43.0
109.03620	5.1
109.06492	7.3
109.10155	18.1
110.38851	5.2
111.04444	50.8
111.08073	12.7
117.06991	32.8
119.08521	30.8
121.06496	9.3
121.10139	82.6
129.06985	7.1
130.03908	5.3
130.07735	6.1
131.04926	6.7
131.08565	26.8
135.08011	5.4
135.11708	73.4
143.08617	6.1
145.06476	15.3
145.10120	70.0
147.08040	6.1
149.09642	12.7
153.12744	21.8
155.08540	16.5
162.93234	5.8
163.11172	97.6
173.09630	52.7
181.12239	33.1
186.80611	4.8
191.10677	38.4
196.64949	6.1
209.11751	13.4
209.52223	6.4
227.12746	23.0
232.72766	5.1
255.73337	5.5
279.05035	6.5
283.15417	10.9
286.04541	7.6
301.03467	9.7
301.07153	17.2
301.16617	66.6
301.21567	11.0
309.15335	4.8
312.40808	6.4
324.23987	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01866	26.6
55.05503	25.3
57.03432	43.8
65.03931	5.1
67.05501	98.5
69.03410	2.6
69.07066	17.2
69.29858	10.2
69.30288	16.3
71.04996	6.9
72.41052	2.7
73.02874	3.4
79.05490	100.0
81.03419	13.2
81.07053	63.7
83.04976	52.8
83.08624	6.0
85.02913	7.1
85.06521	12.9
90.05770	2.3
91.04967	4.4
91.05481	47.6
91.06029	4.6
93.03417	4.0
93.07037	97.5
95.04964	32.5
95.08605	33.0
97.06520	26.2
97.10140	3.5
99.04455	9.7
101.02403	2.7
105.07028	30.2
107.04953	68.6
107.08590	48.1
109.06521	10.3
109.10133	9.0
111.04439	56.7
111.08102	14.8
117.07014	29.8
119.08570	31.6
121.06522	8.2
121.10138	75.1
123.04386	3.3
123.08067	6.5
125.05988	7.0
129.05504	3.2
129.07010	7.9
130.07788	5.7
131.04918	7.9
131.08566	23.2
133.10100	3.5
135.08040	8.1
135.11685	66.3
139.07552	3.4
139.11134	2.6
145.06520	12.5
145.10114	81.4
147.08049	7.4
147.11765	3.5
149.09615	15.6
153.12749	21.4
155.08546	15.7
163.11176	96.7
165.09074	2.9
173.09608	52.6
173.11008	4.3
174.10062	2.6
180.34923	2.4
181.12228	40.7
181.13728	4.1
191.10677	50.6
209.11658	13.5
227.12790	24.9
236.51788	2.4
242.18115	2.6
243.42986	2.6
265.14383	4.6
283.15402	8.0
301.03616	3.2
301.07028	3.6
301.16443	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03947	2.3
54.35884	1.4
55.01870	20.1
55.05506	13.4
56.05027	3.3
56.96560	3.0
57.03432	18.9
65.03937	3.0
67.05499	38.0
68.05014	3.9
68.99818	2.4
69.03436	3.5
69.07066	8.9
70.06587	6.8
70.92654	4.8
71.04985	7.1
71.06905	3.0
73.02924	2.3
78.42860	2.1
79.00458	1.4
79.05489	24.4
80.04994	2.3
81.03425	4.2
81.07051	24.1
81.84007	1.4
82.06561	2.0
83.04981	46.9
83.08614	8.6
85.02893	5.2
85.06532	5.0
91.05476	14.4
93.06470	2.6
93.07038	30.8
94.06586	2.4
95.04977	6.1
95.08611	13.9
97.06542	10.1
98.09691	2.4
99.04467	6.4
99.08134	2.3
99.48669	1.7
100.53177	1.8
101.02367	2.8
105.07018	8.5
107.04950	6.9
107.08598	19.3
109.06543	2.0
109.10145	20.1
110.09682	3.9
111.04443	86.7
111.08073	23.8
117.07006	9.3
119.08559	15.3
121.02845	3.1
121.06516	4.2
121.10140	21.2
122.09658	7.4
123.04475	2.5
124.11250	4.0
125.06010	5.1
129.07031	4.0
130.06511	20.6
131.08569	12.1
132.04440	10.0
132.08093	2.3
133.10089	2.3
134.81766	2.2
135.08086	2.3
135.11690	26.8
139.07585	2.8
145.10133	20.0
146.06004	4.8
147.04436	2.2
147.08046	1.9
147.11688	5.5
149.09595	9.7
153.01820	7.0
153.07016	3.4
153.12737	40.5
155.08559	5.3
156.10242	5.3
158.06033	24.5
160.07570	6.5
163.03864	3.1
163.11179	47.9
163.12546	3.1
165.07137	2.0
168.10251	2.2
173.09616	10.7
175.08699	9.1
180.05617	1.8
181.06519	4.3
181.12224	62.4
183.04532	1.7
191.10690	48.6
191.12334	3.5
197.05890	3.6
199.13391	2.6
209.11673	11.1
225.05194	2.7
226.06233	4.1
227.12810	44.5
229.04997	6.3
240.07275	3.2
241.08656	7.4
243.06154	1.8
255.06738	2.0
255.11311	10.4
255.14888	10.3
257.04376	2.6
257.16721	1.9
258.05249	57.0
259.05743	2.5
269.08072	3.4
271.06226	1.8
272.06561	2.1
283.15533	2.4
286.04739	66.7
286.07925	8.1
287.05096	3.7
301.07117	100.0
301.10547	16.3
301.15808	40.6
302.04309	2.1
302.07358	8.7
302.10703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.4
55.01873	29.4
55.05505	24.3
57.03433	45.8
65.03921	8.2
67.05502	97.0
67.08552	2.1
67.92972	2.1
69.07074	16.2
69.94523	2.0
71.04992	11.6
79.05489	100.0
81.03414	15.1
81.06588	3.6
81.07053	68.5
83.04980	42.2
83.08605	10.2
85.02900	8.4
85.06541	12.0
88.68794	2.5
91.05473	54.3
91.86420	2.2
93.03392	2.7
93.07040	92.3
94.46243	2.3
95.04963	33.7
95.08601	32.4
97.06521	25.1
97.10135	3.1
99.04453	10.9
103.05447	2.6
105.07040	20.4
107.04960	65.6
107.08592	40.9
109.06506	4.7
109.10131	12.1
111.04433	55.3
111.08073	13.3
115.05441	3.8
117.07003	30.0
119.08588	28.7
121.06498	9.9
121.10139	82.0
121.51963	2.3
123.04508	2.8
123.08054	7.6
125.05971	8.9
126.01575	2.2
129.05443	4.6
129.06975	8.6
130.07785	6.3
131.04959	6.1
131.08565	23.6
133.10136	5.1
135.08040	5.4
135.10686	4.1
135.11687	61.1
136.11938	2.7
139.07515	3.1
139.11194	3.1
143.08586	4.7
145.06499	13.5
145.10114	78.4
147.08015	4.6
149.09618	14.5
153.12764	23.3
155.08545	16.6
163.11177	86.9
173.09628	50.1
181.12233	36.3
191.10678	37.5
209.11684	10.2
227.12785	27.4
245.13840	3.6
265.14459	5.1
283.15350	9.5
301.03604	3.0
301.07010	5.6
301.13370	4.0
301.16473	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.96135	1.1
55.05507	10.0
56.05036	11.7
62.12682	1.0
67.05498	5.4
68.05030	8.2
69.07056	4.5
70.06596	9.1
70.72924	2.3
70.73255	2.4
71.06918	1.9
74.02409	2.2
74.08666	0.9
79.05473	3.1
80.05009	8.4
81.07035	5.1
82.06574	6.5
83.08607	4.0
91.05465	4.5
93.05791	1.8
93.07020	6.5
94.06555	5.2
95.04932	2.0
95.07313	3.1
95.08575	2.7
96.04476	2.7
96.08106	2.8
97.08916	1.3
97.47112	1.0
98.09689	8.1
102.11752	1.0
105.07038	4.0
107.04893	1.1
107.07295	1.1
107.08568	1.7
108.08092	2.7
110.09671	21.3
111.04433	1.4
112.11221	4.1
115.05446	3.1
118.06574	2.0
121.06490	1.7
121.10166	2.3
122.09660	26.9
123.06758	1.2
124.11214	11.1
130.06522	60.2
132.04442	24.4
132.08092	8.5
135.11728	1.9
137.05991	2.2
142.06505	3.0
146.06007	12.9
148.07590	1.3
153.01740	1.6
155.46831	1.1
156.10202	22.5
157.07596	9.2
158.06007	84.0
159.06572	1.5
160.07581	20.7
168.10194	13.2
172.07652	2.0
173.07129	4.0
175.08664	32.9
176.07053	2.7
179.16597	1.3
184.07497	2.3
185.07108	2.4
186.05469	3.2
196.07570	2.5
204.06584	3.2
209.08350	1.3
212.10733	2.3
226.12317	2.6
238.12209	3.6
241.08640	1.5
255.11000	1.6
255.14931	37.7
256.15295	1.8
257.16422	4.0
258.05289	9.3
286.04776	11.6
301.03699	1.6
301.07111	20.3
301.15439	100.0
302.04147	1.5
302.07312	1.6
302.15848	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84091	0.9
53.03952	1.3
55.05510	8.5
56.05027	8.3
67.05497	5.6
68.05023	9.5
69.07058	3.9
70.06576	2.2
73.06837	1.0
74.02434	0.9
74.68105	0.8
75.55252	0.9
77.03954	1.2
79.05489	2.8
80.05013	7.1
81.07037	3.7
82.06570	5.8
83.08615	5.6
91.05484	3.5
93.05780	2.3
93.07043	5.8
94.06570	5.2
95.07355	1.5
95.08592	2.4
96.04461	1.6
96.08129	1.7
98.09692	8.7
98.21535	1.8
105.07020	2.4
106.85960	1.0
107.08544	1.1
108.08131	2.6
110.09676	18.2
112.11210	2.2
115.05462	2.3
117.05782	1.4
118.06535	3.3
122.09664	22.6
123.10429	1.1
124.11221	8.2
128.04994	1.1
130.06520	61.2
131.08539	1.0
132.04448	22.3
132.08070	6.4
135.11679	2.6
137.05908	0.9
142.06519	2.0
145.10139	1.0
146.05995	10.9
148.07489	1.7
153.01849	3.4
156.10191	23.2
157.07625	8.0
158.06001	76.9
159.06569	1.8
160.07594	16.3
163.11218	1.0
168.10223	11.6
172.07549	1.9
173.07124	2.8
175.08664	32.0
176.07083	2.2
181.12267	1.3
183.06740	1.1
184.07585	1.6
185.07158	2.2
186.05502	2.3
196.07611	1.9
204.06581	2.8
226.12294	3.1
228.13841	1.5
229.04956	4.3
229.40082	1.1
231.07870	1.2
238.12248	2.9
255.14926	35.0
256.15424	1.6
257.04599	1.3
257.16476	3.3
258.05215	46.2
259.05573	1.7
283.10931	1.4
286.04703	51.8
287.05023	3.8
301.07068	85.8
301.15436	100.0
302.07318	4.9
302.15805	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	301.1068
Annotation	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
Peak:m/z	Relative Intensity
53.03929	3.2
55.70415	1.1
58.88971	0.9
65.03937	1.8
67.05489	1.4
70.91496	1.8
70.91829	1.4
77.03913	1.3
79.05486	5.2
81.03410	1.0
81.07035	1.9
91.05479	6.8
94.04179	18.6
95.04939	7.6
95.08588	1.3
96.02097	2.5
105.03387	2.6
105.04498	1.3
105.07036	6.1
106.04193	1.9
107.04922	3.6
109.06510	58.3
111.04427	11.6
119.04952	2.0
121.06497	93.7
122.03632	2.0
123.04380	1.5
125.09550	1.1
133.02846	46.9
133.06488	1.8
134.03586	1.0
134.07288	7.9
134.87338	0.9
135.04424	6.2
135.08040	7.2
137.05968	100.0
138.06346	1.8
139.03894	21.1
147.04413	1.4
151.03879	1.1
152.01024	1.4
152.04651	2.2
152.06242	1.0
161.02289	1.8
163.03934	2.0
165.05464	21.0
167.03395	40.2
167.07050	10.4
171.08192	1.0
178.02428	1.0
193.04945	65.2
199.07620	1.1
203.06982	1.0
212.04631	2.3
213.09088	4.2
217.08606	1.6
226.06267	1.1
227.07025	3.6
240.04094	2.8
241.08580	6.6
245.08006	5.6
249.97139	1.1
255.06529	9.5
258.05228	3.2
269.08145	1.5
273.07523	1.3
273.11157	4.9
283.06003	3.7
283.09500	1.7
286.04733	1.7
301.07019	73.2
301.10666	87.1
302.07355	3.4
302.11014	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	301.1068
Annotation	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
Peak:m/z	Relative Intensity
53.03935	1.2
55.01848	0.5
55.05492	0.9
57.03419	1.0
65.03928	0.5
66.04707	0.7
67.05180	0.3
67.05494	2.1
68.99789	0.3
69.03418	0.3
69.07052	0.8
69.40029	0.5
69.40436	1.9
70.06576	0.2
79.05487	6.2
80.29404	0.3
81.03411	0.4
81.07052	4.4
83.04970	1.0
85.02885	0.7
85.87944	0.3
90.43891	0.2
91.05473	2.0
93.07037	1.9
94.04173	1.8
95.04967	1.5
95.08610	1.3
97.06519	0.8
97.10156	0.4
105.03400	0.6
105.07032	0.9
107.04945	1.1
107.08571	0.9
109.06512	11.3
109.10158	0.4
111.04432	0.8
117.06963	0.3
119.08582	1.1
121.06488	1.9
121.10144	1.4
123.04427	0.3
125.05981	1.1
125.09632	0.6
131.04890	0.4
131.08582	0.8
133.06477	0.4
133.10114	0.6
135.11687	1.2
137.05969	100.0
138.03091	0.5
138.06300	1.2
143.20253	0.3
145.10120	1.7
149.05998	1.5
151.07520	0.4
153.01773	0.3
153.05460	7.4
153.06760	0.4
153.12741	0.3
155.08585	0.3
161.05962	4.6
162.03221	0.3
163.11165	0.9
167.03435	0.6
173.09645	0.5
173.13252	0.5
177.05461	3.5
179.03358	0.3
179.07080	0.4
181.12321	0.6
191.10690	0.4
193.04953	0.4
209.11729	0.3
213.09138	0.7
226.06322	0.4
227.12698	0.4
227.18059	0.3
231.06482	1.4
241.08614	1.0
255.14412	0.3
255.21178	0.4
269.04907	0.3
269.08057	1.6
273.11331	0.4
283.09705	0.4
283.24408	0.4
286.04910	0.4
286.08350	0.3
301.03540	0.4
301.07040	5.2
301.10657	4.0
301.16495	0.8
301.21631	0.4
301.25089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Koparin
Peak:m/z	Relative Intensity
54.53004	0.3
67.05490	0.6
68.99788	1.3
69.03429	0.4
70.93925	0.3
70.94221	0.3
71.04975	0.4
79.05495	0.3
79.81393	0.3
81.07053	0.7
81.79584	0.3
86.52294	0.4
89.03913	1.3
89.97826	0.2
91.05460	1.0
93.07059	0.5
95.01307	0.6
95.04934	0.5
95.60725	0.3
97.59170	0.3
103.05463	0.4
105.07015	0.4
105.10517	0.3
107.04954	0.7
107.08549	0.3
111.00773	0.3
111.90286	0.3
117.03355	0.4
117.07004	0.5
121.06487	0.4
123.00777	1.2
123.04393	1.0
124.01596	2.1
125.06044	0.3
129.06995	1.0
131.04893	1.6
134.03622	8.9
137.02373	0.3
141.06897	0.4
145.06462	0.7
145.10226	0.5
149.02365	1.5
151.07516	0.3
152.01062	1.1
153.01823	17.7
153.05386	0.4
155.04868	0.3
157.02812	0.7
157.06474	1.4
161.02295	0.4
170.02107	2.2
171.04398	0.9
173.06029	0.4
174.06787	0.8
175.03922	0.6
179.06990	0.4
184.05228	0.4
185.05954	1.2
187.03886	1.1
197.05968	0.7
199.03943	1.7
201.05449	1.1
202.06252	1.9
203.03406	0.3
212.04704	0.7
213.05460	5.6
229.04942	17.2
230.05713	5.6
240.04100	0.6
241.04936	20.1
242.05313	0.5
245.08142	1.7
255.20915	0.3
257.04474	0.6
258.05222	2.0
268.03711	0.5
269.04437	16.6
270.04846	0.7
273.07617	0.9
285.03897	3.0
286.04703	24.8
287.04913	0.6
299.06750	0.3
301.07047	100.0
302.07388	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Ptaeroxylol
Peak:m/z	Relative Intensity
55.01869	0.9
55.05486	0.3
56.96561	0.2
65.03942	0.4
67.01855	1.1
67.05473	0.5
68.99444	0.2
68.99781	2.8
69.03414	0.2
69.07060	0.2
69.28486	1.7
70.45209	0.2
71.04973	0.2
79.05486	0.8
81.03401	0.4
81.07033	0.5
83.04966	0.3
91.05474	1.4
93.07012	0.4
94.04123	0.2
95.01328	0.2
95.04977	0.8
95.08574	0.2
96.03870	0.2
98.97572	0.2
99.04466	0.2
101.51051	0.2
105.03384	2.7
105.04486	0.2
105.07000	0.5
107.04294	0.2
107.04951	3.0
107.08532	0.2
108.02069	0.2
108.76331	0.2
109.06467	0.5
111.04447	1.8
111.34035	0.1
115.05450	1.6
116.06226	0.3
116.14957	0.2
117.07000	0.5
119.04955	0.3
119.08534	0.6
121.02815	0.2
121.06474	0.8
121.10111	0.3
123.00773	0.4
123.04425	1.7
124.01504	0.2
125.02335	0.3
128.06200	0.3
129.06985	0.8
130.90933	0.2
131.04909	0.3
131.08513	0.2
132.05707	0.2
133.02841	0.5
133.06534	0.2
133.10129	0.3
134.03627	0.5
135.04413	1.1
135.07967	0.2
135.11617	0.2
137.02353	0.9
137.05981	1.3
139.03857	0.4
141.06981	0.3
143.04895	0.3
144.05713	0.3
145.06419	0.4
145.10141	0.2
147.04362	0.6
147.08032	1.5
149.01253	0.3
149.02324	0.8
151.03911	0.5
152.06146	0.2
153.01816	0.3
153.06941	0.4
157.06464	0.6
160.05183	1.1
161.02335	5.2
161.05960	2.8
163.03876	2.6
164.04683	0.4
165.06911	0.2
167.03391	22.1
168.03677	0.3
168.05733	0.3
169.06465	0.3
171.04396	3.2
171.07997	0.3
175.03934	1.7
175.07542	3.6
177.05484	0.6
179.03421	0.5
181.06430	0.6
184.05185	0.6
185.02333	0.2
185.04413	0.6
185.05994	1.2
187.07455	0.2
188.04662	3.6
189.09012	0.3
193.04968	0.8
195.07976	0.2
197.06018	0.3
198.06781	0.3
199.07585	0.5
200.04678	0.2
201.05438	0.2
202.06248	0.6
203.07016	10.9
204.07260	0.3
205.04953	0.6
211.07635	0.3
212.04723	0.8
213.05463	0.9
213.09111	0.2
214.06198	0.2
215.07083	0.2
216.04166	4.2
217.04878	0.6
217.08585	2.3
219.06429	0.9
227.07054	1.9
229.05411	0.2
230.05754	1.6
231.06503	36.4
232.06839	1.1
233.08130	1.0
239.03265	0.3
240.04170	2.1
241.04848	0.4
241.08559	0.3
243.06511	0.3
245.08072	8.1
255.06494	2.1
258.05249	0.5
259.06000	3.7
268.03595	0.7
273.07593	2.4
283.05945	2.0
284.06363	0.2
286.04639	0.5
301.07043	100.0
302.07379	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	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
59.61889	0.5
68.99780	0.9
69.22453	1.7
69.22874	3.6
89.03903	0.8
90.15443	0.5
97.91794	0.4
123.00757	0.6
124.01565	1.2
131.04941	0.6
133.53140	0.5
134.03621	6.1
145.06528	0.5
149.02368	0.9
152.01062	0.6
153.01817	11.7
157.06483	1.6
170.02071	1.1
171.04424	0.6
172.11331	0.6
173.06081	0.6
175.03981	0.5
185.06062	1.0
187.03935	1.0
191.07086	0.4
199.03926	1.1
201.05423	0.9
202.06229	1.4
213.05492	3.9
229.04953	12.2
230.05679	3.9
241.04955	15.7
241.07455	0.8
245.08145	1.2
257.04523	0.7
258.05219	7.8
269.04434	18.7
270.04852	0.9
273.07553	0.6
283.84396	0.5
285.03836	1.8
286.01459	0.9
286.04712	27.0
301.07050	100.0
302.07330	3.2
321.86392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	alnusin
Peak:m/z	Relative Intensity
53.17685	0.3
55.01843	0.9
55.05487	0.4
56.78190	0.2
57.03431	0.4
59.25657	0.2
62.29814	0.2
67.01844	0.9
67.05498	0.6
68.99452	0.3
68.99786	2.9
70.71001	0.5
79.05480	0.6
79.91457	0.2
81.03411	0.3
81.07038	0.4
85.65717	0.2
91.05458	0.8
93.03394	0.2
93.07076	0.3
95.04941	0.9
103.05471	0.3
105.02806	0.3
105.03387	3.3
105.07033	0.6
106.04195	0.3
107.04957	2.6
107.08575	0.4
109.06547	0.5
109.10131	0.4
111.04443	1.6
115.05431	1.3
117.07002	0.6
119.04935	0.3
119.08540	0.6
121.10106	0.6
123.00814	0.3
123.04440	1.3
124.01540	0.3
125.05999	0.3
125.41556	0.3
129.06915	0.3
133.10143	0.3
134.03625	0.6
135.04396	1.1
137.02316	0.7
137.05936	0.9
139.73109	0.2
144.05676	0.4
145.10100	0.3
147.04436	0.4
147.08022	1.3
149.02327	0.7
151.03873	0.3
153.01830	0.6
157.06476	0.6
160.05165	1.0
161.02336	5.5
161.05920	2.1
163.03914	2.1
163.11192	0.3
164.04703	0.3
167.03397	21.6
168.03772	0.5
171.04408	3.7
171.08044	0.3
175.03896	2.0
175.07532	3.2
177.05484	0.6
179.03313	0.4
184.05161	0.7
185.04362	0.7
185.05989	1.3
188.04645	3.6
189.09122	0.5
193.05048	0.3
199.07626	0.4
202.06189	1.3
203.07021	11.3
204.07344	0.3
205.04926	0.4
207.78133	0.3
212.04622	0.6
213.05492	0.7
216.04187	4.3
217.04951	0.4
217.08598	2.3
219.06535	0.6
227.07054	1.7
227.17918	0.4
229.04887	0.3
230.05774	1.5
231.06512	35.8
232.06877	1.3
233.08112	0.9
240.04118	1.6
245.08076	8.1
255.06583	1.3
255.21037	0.5
259.06055	3.4
259.63409	0.3
268.03528	0.4
273.07605	2.8
283.05963	2.0
286.04681	0.5
301.07050	100.0
302.07434	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	300.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
57.07060	0.4
62.55642	0.4
67.05495	2.1
68.99763	0.8
69.03403	1.3
69.07037	0.4
71.18868	1.3
79.05482	2.9
81.03401	0.5
81.07053	3.4
86.09685	0.9
89.03905	0.5
91.05470	2.5
93.07023	2.2
95.04934	1.0
95.08625	3.2
103.05476	2.2
105.07024	54.9
106.07329	0.9
107.04902	0.5
107.08587	0.5
108.08060	0.9
109.10179	1.0
117.03359	0.7
120.08073	0.7
121.06496	0.6
121.10092	0.6
122.09652	1.7
123.04388	0.9
129.06989	0.5
132.05664	1.2
134.03590	1.6
135.11632	0.8
136.11211	9.0
137.05945	0.5
137.13216	0.7
147.11676	0.5
150.12747	1.9
151.14763	0.6
152.14328	1.4
153.01868	2.2
153.06924	0.5
164.14313	1.2
179.03439	0.5
181.06300	0.5
184.11177	4.4
186.01593	1.4
186.12791	0.9
196.05186	0.6
198.06844	0.6
198.12805	0.6
199.13692	0.8
202.12271	2.3
202.15955	2.3
211.03760	0.5
211.07512	0.6
212.14337	1.5
214.15971	0.8
226.15923	4.7
228.17520	1.4
229.05092	1.1
239.06966	1.7
241.08601	0.5
254.19005	1.3
256.20584	100.0
257.04517	1.1
257.20932	2.9
258.22101	1.2
269.04303	1.2
271.06119	1.0
284.03046	0.6
285.03882	2.9
285.07532	3.4
286.04691	1.8
299.05472	1.3
300.06244	9.8
300.09818	2.5
300.23203	64.4
301.06982	10.9
301.10587	2.6
301.23618	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	300.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18124	0.6
55.01869	1.1
56.05029	0.7
56.96566	6.0
57.03436	0.8
61.02905	1.0
69.03414	2.2
70.06590	5.8
70.48868	2.4
71.04995	0.9
72.08146	1.8
73.02898	1.3
74.00661	0.8
74.02413	0.7
79.05462	0.7
83.06079	0.9
84.04482	1.3
84.08123	1.7
85.02906	2.8
86.09676	1.8
88.03989	4.4
91.05470	1.4
94.06570	0.7
97.02919	0.9
98.97580	1.7
103.05481	0.8
106.06583	0.7
110.07143	2.1
112.06187	1.1
113.04611	1.4
116.98612	1.9
118.06506	2.7
119.04961	1.1
120.04463	0.7
120.08066	1.0
121.01066	3.0
121.06484	1.1
124.03931	0.8
125.04584	1.6
127.03912	0.6
128.98608	0.6
131.04924	1.4
133.01077	2.9
134.06020	1.5
134.99640	1.9
135.02602	0.6
136.06143	4.6
137.05948	7.4
138.05457	1.6
138.09157	1.1
140.05661	2.5
141.06436	0.7
146.01224	0.7
146.03656	1.4
146.05995	1.7
146.99602	0.8
147.04381	0.7
149.00558	12.8
150.01373	5.0
150.05498	2.6
151.02135	2.0
151.04887	0.9
152.05650	1.1
157.09671	1.0
161.00491	6.1
161.05971	2.6
162.05547	3.5
162.06694	1.1
163.02147	1.4
165.00679	1.0
168.05171	10.0
169.82465	0.7
177.00688	1.4
177.07857	4.7
178.00841	17.7
179.01421	0.7
180.06511	1.3
181.03194	3.2
182.03369	0.7
183.04813	0.8
187.02034	0.7
191.08308	0.7
192.08908	0.9
193.03181	100.0
194.03503	2.3
205.03674	1.1
206.27620	0.6
223.01147	0.9
237.02640	1.1
237.09145	0.8
250.05298	1.0
254.13881	1.1
270.07840	0.9
282.08038	3.3
300.09940	1.1
300.14828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01867	11.8
55.05511	20.2
55.77318	2.8
56.96560	2.9
57.03434	4.1
57.07057	4.8
60.05402	2.4
65.03951	3.5
67.05499	84.8
68.99758	3.0
69.03421	7.1
69.07060	27.0
69.26939	10.6
69.27361	22.3
70.06577	7.4
70.44830	2.3
70.46450	2.8
71.04986	91.5
71.08608	2.7
72.08162	3.1
79.05487	61.4
81.03432	4.7
81.07050	100.0
83.04948	6.5
83.08607	10.6
84.68459	2.7
85.06537	10.8
91.05475	26.9
93.07036	62.2
95.04977	11.1
95.08604	62.3
97.06522	34.9
97.10155	6.7
105.07024	19.7
106.69696	2.6
106.82890	2.5
107.04971	5.1
107.08588	36.6
109.06485	4.9
109.10148	30.1
111.04473	3.6
111.08080	7.2
117.07008	3.1
119.08580	20.9
121.06516	2.9
121.10130	57.4
123.11736	19.4
129.09065	2.6
131.08571	2.7
133.06454	3.3
133.10155	16.1
135.11682	27.8
136.06163	3.5
137.02373	7.4
137.05978	3.4
137.13194	3.1
139.11128	4.9
141.07005	3.2
143.08502	3.6
143.44722	2.9
145.10123	5.6
147.11703	7.9
149.02321	2.8
149.13239	14.8
151.11229	4.2
157.06526	3.2
157.10178	4.4
160.06665	3.2
161.13255	7.9
163.07593	3.2
163.14789	6.1
169.06468	6.4
181.06441	5.1
183.11609	2.8
184.03598	3.7
187.03842	3.4
197.05957	4.3
200.04692	6.1
210.06660	4.2
211.03928	5.1
211.07545	5.2
213.05424	29.1
213.18454	4.3
215.07016	10.4
225.05560	5.8
227.07048	4.5
228.04335	3.8
238.12943	3.2
239.03326	16.0
239.07097	9.0
241.05008	13.1
243.06540	6.8
245.22701	5.1
255.06813	3.7
256.07254	5.3
257.04291	3.7
263.23630	21.9
267.03021	5.5
269.04675	6.0
271.05997	18.0
271.09708	4.0
272.06589	3.0
281.12616	3.2
281.19330	4.2
281.24725	16.2
283.05972	6.4
284.03641	2.7
284.06735	15.3
285.07516	7.9
299.05511	77.2
299.09128	54.3
299.12576	4.8
299.20035	11.8
299.23663	6.3
300.05899	11.5
300.09702	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.23818	1.5
53.03945	2.3
55.01865	2.1
55.05504	12.6
55.84821	1.6
57.07076	3.6
59.04970	2.2
64.03217	1.4
67.05508	8.9
69.03429	10.1
69.07056	6.6
71.04987	4.7
77.03873	2.1
79.05495	14.4
81.07053	14.0
83.04948	3.8
83.08615	11.0
85.06557	2.8
91.05472	19.7
93.07039	19.5
95.04370	2.7
95.04971	41.9
95.08610	13.4
97.06538	4.6
98.24336	1.8
103.05449	2.0
105.07034	30.9
105.07705	3.4
107.04917	2.2
107.08590	21.1
109.06532	19.3
109.10149	8.8
111.04472	1.9
111.08086	2.5
113.09631	2.8
115.05423	2.9
117.07018	14.1
119.08577	55.3
121.06513	8.6
121.10144	11.9
123.08057	5.1
123.11734	2.1
125.09657	3.7
128.06218	5.0
129.07016	5.4
130.07773	5.1
131.08568	13.6
132.05724	3.0
133.10133	16.0
135.04402	1.8
135.08054	16.2
135.11676	4.7
137.09598	4.2
141.07030	3.2
142.07756	7.6
143.08566	15.9
144.09328	2.3
145.06451	3.5
145.10110	52.0
146.10785	2.0
147.08073	4.2
147.11699	5.9
149.09624	4.2
151.07538	6.2
151.11090	1.8
153.06990	1.7
153.90231	1.6
154.07692	1.8
155.08572	9.7
156.09377	8.0
157.10141	17.2
158.07240	6.2
158.10880	2.5
159.08041	5.1
159.11697	13.3
161.05920	2.0
161.09641	9.1
161.13220	4.2
163.07573	3.1
163.11171	4.6
165.07007	3.0
167.08568	3.0
168.09370	2.0
169.10127	7.4
170.10825	4.1
171.08011	2.8
171.11664	14.1
173.09622	16.6
173.13211	10.0
175.11160	3.3
175.14861	1.9
179.08522	1.8
180.09393	2.2
181.10091	5.3
182.10913	4.4
183.08040	3.1
183.11720	10.4
184.03680	4.9
185.09610	3.9
185.13286	6.2
187.11191	4.0
187.14836	2.5
189.12753	6.4
192.09305	2.3
193.10097	4.5
194.10866	2.4
195.08092	3.1
195.11729	3.9
197.09605	2.3
197.13245	13.4
199.11212	6.0
199.14821	11.2
200.15685	2.6
201.12709	4.1
207.11693	3.7
208.12560	2.9
209.13181	1.9
211.11229	4.1
211.14821	5.7
213.05385	2.4
213.12703	3.3
213.16281	2.7
215.14311	9.3
217.15901	2.5
221.13223	2.8
223.14758	10.2
225.12663	10.2
225.16339	2.4
227.07048	3.3
229.63589	2.1
233.13232	1.9
239.07008	5.1
239.14268	3.8
239.17905	5.3
240.14981	1.9
241.05017	2.8
241.15909	9.3
243.06474	2.2
243.10126	3.8
243.13823	7.5
248.15546	2.6
253.19539	11.9
255.06578	2.4
256.07208	12.3
257.19016	11.2
263.17947	3.3
281.19031	16.1
283.05930	1.9
284.06757	22.7
299.05685	3.9
299.09113	88.1
299.20059	100.0
300.09482	4.6
300.20468	2.2
310.24243	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	299.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.05033	6.5
56.96561	22.8
57.03426	2.2
58.06595	1.1
60.04508	0.8
61.01132	1.1
61.02916	2.0
67.05493	2.5
68.05040	1.2
68.56490	0.8
69.03406	2.5
69.07063	1.0
69.93795	2.0
69.94205	3.5
70.06588	32.0
70.98101	1.2
71.05004	1.1
71.95270	1.3
72.08143	3.7
73.02896	1.6
74.97594	1.1
79.05500	1.1
81.03404	2.1
81.04533	1.7
82.06548	2.8
82.13365	0.8
83.06097	100.0
84.04485	2.4
84.06438	0.9
84.08133	10.7
84.96041	1.1
85.02886	4.4
86.09706	4.0
91.05469	1.0
94.06541	1.2
95.04944	1.2
96.96308	0.9
97.02885	3.5
97.99171	1.1
98.03227	0.9
98.06026	1.8
98.97575	5.9
99.04408	1.2
100.07571	0.9
103.05451	2.4
107.04958	1.3
109.02865	0.8
110.06009	1.0
110.07176	4.5
110.97600	0.8
111.09190	3.8
112.07598	39.1
113.04623	1.0
113.06030	1.1
115.03901	1.2
116.98631	7.3
119.01895	2.1
119.04996	1.2
120.08097	8.2
121.06486	1.3
122.07123	2.8
123.07915	1.3
125.04525	1.5
125.73210	0.8
127.03922	1.4
128.08185	11.4
128.98593	1.1
129.06577	2.0
129.10217	4.0
130.08623	2.7
131.00150	0.8
131.01906	1.0
134.01260	1.1
134.05998	3.3
134.99635	7.3
136.06171	16.7
136.07512	2.5
136.08423	0.9
137.02982	1.1
137.06685	4.2
138.09129	2.6
139.08626	0.9
140.05695	1.0
142.01718	1.7
145.03584	0.9
146.01236	1.1
146.99603	3.0
149.03015	1.0
151.04875	1.2
151.09782	1.5
152.05721	2.3
152.07060	4.5
153.00699	2.6
153.07440	2.0
154.08621	1.6
156.03329	1.2
156.07747	1.1
156.10178	1.6
156.11325	1.3
158.01292	1.7
160.02823	2.7
161.02957	1.1
162.00793	1.0
164.02295	1.4
164.07086	4.6
165.00676	1.2
166.07211	2.3
167.04398	1.9
168.05124	4.1
172.09650	2.0
174.04424	4.8
177.00705	2.0
178.07426	1.3
182.12846	1.3
186.04381	2.3
186.98978	1.0
188.02322	1.0
189.06058	0.9
189.12302	8.2
190.95346	1.8
191.08546	1.1
192.05453	1.0
192.98695	1.1
193.03175	3.8
194.11044	1.1
196.54739	1.4
198.92200	1.3
204.05463	2.9
205.00131	1.5
205.03712	1.3
206.06958	1.3
206.98083	1.9
208.10216	1.3
208.96582	1.2
216.07016	1.0
219.01723	1.4
219.08035	1.0
221.04590	1.8
224.08133	2.2
232.96410	1.4
234.14453	1.1
237.02689	1.2
239.15048	4.2
240.13573	1.5
250.97289	1.2
253.13445	1.4
257.16000	1.8
274.97473	1.4
276.07452	1.6
281.16022	4.8
284.06638	1.3
286.07623	1.7
299.06174	1.6
299.09564	6.7
299.17114	86.6
300.17563	1.7
311.79974	0.9
317.13858	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	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
54.72059	0.9
55.05496	1.8
56.31643	1.0
57.07065	1.6
67.05495	2.2
69.07066	1.8
69.59691	5.1
69.60102	2.3
77.00895	2.5
79.05480	5.6
81.06589	1.6
81.07058	29.8
83.01335	20.1
83.04968	4.5
83.64902	1.2
90.63167	1.0
91.05467	3.7
93.07017	4.0
95.01942	2.3
95.04973	1.4
95.08616	1.8
97.06520	2.1
99.08089	1.5
105.07022	3.1
107.04952	1.4
109.06520	8.7
111.04424	2.9
116.98595	1.5
119.08598	3.6
121.06499	1.6
125.05971	7.9
127.07555	21.3
129.68599	1.2
131.01894	1.2
131.04877	1.3
139.07472	1.3
149.02960	1.6
149.05978	8.9
152.04668	6.7
153.05476	5.5
167.07025	3.2
177.05492	4.0
178.26427	1.0
195.06531	100.0
213.07573	63.2
215.34387	1.1
233.35901	1.0
243.10069	1.5
256.07269	2.8
257.11777	1.9
269.94492	1.2
284.06952	5.3
299.05841	2.4
299.09152	22.5
299.12750	53.4
299.18149	2.1
300.13010	1.8
317.19592	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	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
55.43529	0.3
58.19237	0.2
67.05471	1.2
68.99776	0.6
69.07043	0.5
70.63508	0.5
70.63875	0.9
71.04972	0.9
79.05494	0.8
81.07033	1.1
91.05475	0.6
93.07030	1.0
95.08591	1.3
97.06535	0.4
98.21419	0.3
105.07033	0.4
107.08577	0.6
109.10121	0.5
110.33978	0.3
111.04421	0.6
116.98587	0.3
118.04190	0.3
121.10126	1.1
123.00779	0.6
124.01547	0.9
128.06160	0.3
129.07018	0.4
132.05688	2.8
133.06464	1.0
134.04471	0.5
135.04379	0.7
137.05948	1.0
139.03874	0.8
141.94583	0.3
148.05223	0.4
152.01059	0.4
152.06151	0.3
153.06989	0.4
157.06522	0.6
161.05908	0.3
163.03873	0.3
167.03317	0.8
168.05728	1.5
169.01320	0.4
169.06400	0.4
172.08824	0.4
176.04657	0.4
182.07248	1.7
183.08070	2.5
184.03659	4.6
185.05965	1.0
196.05173	1.5
197.06007	1.6
198.85785	0.3
199.07542	0.6
200.08322	0.7
210.06723	1.3
211.07503	3.7
212.04715	0.4
212.08246	0.4
213.05466	2.1
224.04623	0.8
225.05476	1.1
227.07014	4.2
228.07791	1.6
239.07014	5.3
240.07697	0.5
241.04968	2.6
243.10155	6.3
252.04161	0.4
255.06514	2.6
256.07281	15.9
257.07712	0.4
267.06558	2.4
269.08160	0.8
283.05948	3.2
284.06769	26.0
285.07123	1.0
299.09106	100.0
300.09454	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	299.1274
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.43584	1.4
59.85781	1.2
66.78365	1.2
67.05486	2.7
69.07036	1.1
69.50437	7.5
69.50848	2.8
72.95052	1.1
79.05473	4.5
81.07045	27.5
83.01334	21.8
83.04963	3.3
91.05461	2.8
93.07039	4.1
95.04943	1.3
95.08596	2.4
97.06512	2.7
105.07028	2.7
109.06503	9.4
111.04421	3.2
118.58974	1.1
119.08531	1.3
121.06472	2.2
123.08170	1.8
125.05981	8.8
127.07544	22.0
131.04898	2.7
133.10106	1.4
145.10117	1.5
149.05974	7.2
152.04665	7.3
153.05460	5.2
167.07027	3.6
177.05501	4.6
184.03581	1.4
185.05751	1.6
195.06508	100.0
213.07558	66.4
214.07782	1.4
218.85300	1.5
223.09398	1.3
243.10178	1.4
243.13625	1.3
256.07425	2.8
268.90222	1.2
281.26721	1.5
284.06805	5.1
299.09119	27.2
299.12729	63.3
299.19955	2.3
300.12927	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
50.89545	0.3
54.62277	0.4
57.26283	0.4
66.30612	0.3
71.30590	0.8
85.80799	0.4
104.87322	0.4
111.04347	0.4
113.97770	0.4
123.00777	0.6
124.01551	0.8
132.05672	2.6
133.06505	0.8
134.01280	0.4
135.04413	1.1
137.05971	1.0
139.03902	0.6
139.64516	0.4
152.00955	0.5
157.06467	0.6
167.03426	1.1
168.05710	1.2
169.01283	0.7
169.06490	0.5
176.04620	0.7
180.69452	0.4
182.07271	1.9
183.08018	2.4
184.03667	4.1
185.05991	1.3
196.05228	1.4
197.05951	1.4
200.08278	0.8
210.06749	1.3
211.07564	3.6
212.04588	0.5
213.05507	2.0
224.04666	0.5
225.05518	0.9
227.07011	3.7
228.07802	1.5
230.05690	0.4
239.07030	4.7
240.07730	0.6
241.04887	2.4
243.10155	5.6
252.04315	0.5
255.06624	2.2
256.07281	13.6
267.06528	1.8
268.07178	0.5
283.05984	2.7
284.06763	24.9
285.07092	0.7
299.09125	100.0
300.09390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.091
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
52.12771	0.1
53.03924	0.1
55.01863	0.2
66.84602	0.1
67.05479	0.2
68.99792	0.5
69.07046	0.1
70.48521	0.2
70.48924	0.2
79.01829	0.1
79.05482	0.3
89.03947	0.1
90.04710	0.1
91.05450	0.2
95.01281	0.2
95.04939	0.3
96.02102	0.3
97.98270	0.1
102.04696	0.1
103.05466	0.1
105.07034	0.4
107.04941	0.3
108.02072	0.2
108.05726	0.1
111.04440	0.6
115.05437	0.3
117.03342	0.2
118.04153	0.5
119.04929	0.4
119.08540	0.1
120.05724	0.1
121.06467	0.3
123.00792	0.5
124.01565	0.9
129.06982	0.2
131.04918	0.2
131.08534	0.1
132.05696	3.1
133.06491	1.0
135.04396	0.8
137.05943	1.0
138.03108	0.4
139.03900	0.7
140.06259	0.3
141.06990	0.1
143.00972	0.1
145.06454	0.3
147.04370	0.4
148.05174	0.5
151.03889	0.2
152.01022	0.5
152.06194	0.2
153.06969	0.3
155.08540	0.2
157.06465	0.5
159.08055	0.2
161.06001	0.3
163.03894	0.3
165.06998	0.1
166.02637	0.1
167.03397	0.8
167.04826	0.1
168.05693	1.7
169.01321	0.6
169.06461	0.3
171.04344	0.6
171.08014	0.3
172.08827	0.2
175.03940	0.2
176.04688	0.6
181.06467	0.3
182.07253	1.9
183.08034	2.5
184.03661	4.7
184.05139	0.3
185.05969	1.3
186.06784	0.2
187.07448	0.1
195.04434	0.2
196.05177	1.7
197.05948	1.5
197.09630	0.1
199.03914	0.2
199.07494	0.3
200.08246	0.8
208.05264	0.3
209.06041	0.2
210.06783	1.4
211.07521	3.9
212.04652	0.4
212.08194	0.3
213.05463	2.3
213.08630	0.1
214.06134	0.1
215.06911	0.1
224.04681	1.0
225.05473	1.1
226.06180	0.2
227.07005	3.8
228.07761	2.0
230.05695	0.2
238.06303	0.2
239.07004	5.4
240.07698	0.5
241.04942	2.6
243.10146	6.1
252.04036	0.5
253.04874	0.3
254.05688	0.1
255.06514	2.7
256.07281	14.4
257.07642	0.5
258.05200	0.1
267.06497	2.0
268.03635	0.2
268.07132	0.3
269.04388	0.7
271.05801	0.1
271.09665	0.3
281.07910	0.1
283.05984	3.3
284.06760	25.7
285.07205	1.1
299.09097	100.0
300.06122	0.2
300.09479	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	299.0548
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
51.30671	0.4
53.03939	0.5
55.01876	0.4
55.05505	0.8
55.06889	0.4
56.34075	0.5
56.96553	0.7
57.07063	0.4
57.49617	0.4
65.03931	0.4
67.05499	0.8
68.99794	0.8
69.03452	0.4
69.07085	0.7
70.65607	0.5
71.29021	0.4
71.57137	0.7
75.49043	0.4
77.58815	0.5
79.05497	1.2
81.03410	1.8
81.07053	1.4
91.05482	1.8
93.07033	1.2
95.04952	0.7
95.08598	1.0
105.03378	2.0
105.07024	1.2
107.01324	0.4
107.04985	0.7
107.08626	0.9
109.02830	0.8
109.06544	0.4
109.10133	0.8
115.05434	0.8
117.06991	0.5
118.71024	0.4
119.08578	1.3
119.43191	0.4
121.02914	0.7
121.10171	0.8
122.20556	0.4
128.06219	1.2
129.07005	1.6
131.08548	0.9
132.05685	0.8
133.02847	1.8
133.10138	0.8
135.04395	1.1
137.02332	26.2
137.05925	0.9
139.05403	0.5
141.06972	1.2
143.08548	0.5
145.06480	0.6
145.10081	0.5
147.04491	0.6
147.92191	0.4
149.02361	0.8
157.06474	7.2
157.10123	0.6
159.11723	0.8
161.09656	0.5
162.03105	1.0
168.05710	0.6
169.06471	1.4
171.04419	1.2
173.06012	0.9
183.08043	0.6
184.03674	0.9
185.05963	3.9
189.01842	1.7
190.02704	0.8
195.05672	0.4
197.05981	4.9
197.13275	0.5
199.03932	3.5
200.04680	0.5
201.05493	3.1
207.02911	1.7
211.07523	1.3
211.14774	0.4
213.05457	45.3
214.05867	1.1
215.06956	0.7
225.05426	1.8
227.03412	2.3
227.07089	1.2
228.04129	0.4
239.07077	1.5
241.04950	30.3
242.05309	0.8
243.06598	2.3
243.10146	1.5
253.04959	0.7
253.19594	1.2
255.06464	0.8
256.07254	3.8
267.06552	0.8
269.04434	10.6
271.06073	2.4
283.06070	0.6
284.06735	7.4
290.17325	0.5
299.05518	100.0
299.09109	30.5
299.20108	1.4
300.05865	3.0
300.09378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0547
Annotation	6,7-Dihydroxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
51.18573	0.3
61.99388	0.3
63.15969	0.3
67.05515	0.6
68.99776	1.2
69.03439	0.4
69.07052	0.5
79.05471	0.6
81.07037	0.7
89.03931	1.1
91.05472	0.8
93.07037	0.7
95.08620	0.6
98.21594	0.7
105.07000	0.8
111.04495	0.4
115.05453	5.0
117.07065	0.8
119.04961	0.4
119.08591	1.2
121.10149	0.4
128.06224	0.6
129.06996	1.1
131.08609	0.5
132.05676	0.4
133.10129	0.4
137.02345	0.4
137.05948	0.4
139.05431	2.4
141.07053	0.9
143.04907	3.7
145.06516	0.6
147.08005	0.5
153.01816	0.7
157.06456	1.7
157.10133	0.5
159.11786	0.4
167.04950	2.2
168.05791	0.4
169.06480	0.7
171.04395	10.1
171.11688	0.4
183.08067	0.9
183.11670	0.5
184.03587	0.7
185.05960	3.3
195.04399	2.3
197.05995	1.4
211.07457	0.7
213.05441	8.2
217.04922	0.4
223.03932	1.0
225.05530	1.4
230.56746	0.6
239.07115	1.2
240.04204	0.9
241.04941	35.6
242.05249	0.8
243.06549	3.3
243.10155	1.0
244.03520	0.3
251.03484	0.5
253.04933	1.0
253.19609	1.1
256.07339	2.2
269.04437	28.4
270.04858	0.8
271.06107	0.9
281.04572	0.6
281.12885	0.8
283.05978	0.8
284.06772	4.7
297.46341	0.4
299.05551	100.0
299.09100	19.0
299.20047	1.7
300.05869	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.05531	0.2
61.01147	5.7
69.03420	0.4
71.03425	0.8
75.02701	2.2
77.82782	0.3
80.83375	0.2
84.18298	0.2
94.04049	0.5
97.02888	1.4
103.02135	0.4
109.05132	0.3
119.03542	0.6
136.06178	100.0
136.97993	0.3
137.04623	0.7
137.06482	0.8
145.03162	1.8
163.04239	1.2
188.28482	0.2
216.98653	0.3
247.44757	0.3
298.09763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0546
Annotation	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
52.17594	0.3
55.05455	0.4
57.46469	0.3
63.30569	0.3
67.05441	0.3
68.99706	2.6
69.07021	0.5
69.91395	1.9
81.06997	0.5
89.03905	2.9
91.05399	0.9
92.57079	0.3
93.07016	0.4
95.01220	0.8
95.08537	0.4
103.05388	0.9
105.06993	0.3
109.10105	0.4
111.00719	0.9
112.03333	0.3
115.05412	1.5
117.03310	0.7
117.06949	0.8
119.04831	0.4
119.08542	0.3
123.00781	4.6
128.06125	0.9
129.03279	0.4
129.07002	1.9
131.04057	0.3
131.04915	4.4
131.08505	0.4
132.05635	0.4
133.02841	0.5
141.06874	0.6
143.04834	0.4
145.06393	1.4
145.10027	0.3
147.04311	0.7
149.02269	1.0
151.03859	0.5
153.01819	0.4
157.02783	0.7
157.06439	2.6
157.10010	0.6
161.81189	0.3
163.03778	0.5
169.06424	0.4
171.04439	2.2
173.05855	0.5
175.03891	1.5
184.03674	0.4
185.05959	3.6
194.19022	0.7
196.05014	0.4
197.05876	1.3
197.13307	0.4
199.03899	4.6
211.07591	0.6
213.05452	9.2
223.03706	0.4
225.05377	0.4
227.06969	0.6
228.07712	0.4
239.07056	0.5
240.04124	0.7
240.19510	0.5
241.04935	52.3
242.05304	1.1
243.06529	0.9
243.10107	0.8
253.04828	0.4
253.19508	1.2
256.07315	1.4
269.04428	38.9
270.04858	0.6
271.06036	0.4
282.20657	0.7
284.06830	2.7
299.05539	100.0
299.09073	16.2
299.20071	0.9
299.23328	1.1
300.05835	2.2
300.09158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.6
56.96562	23.6
69.96155	1.5
71.12433	3.1
71.95243	2.6
77.62433	1.0
79.03980	1.0
98.97579	70.1
101.00826	1.2
116.98618	78.4
119.01914	15.8
130.93277	2.5
134.99652	67.6
137.02943	7.3
140.00183	2.0
142.03468	2.5
147.02545	1.1
153.00726	13.9
155.76288	1.4
158.01213	2.9
172.94426	2.7
174.84708	1.0
177.00948	29.9
178.01158	1.2
179.00781	1.3
190.95438	8.5
192.98671	2.3
193.98872	1.4
195.01912	1.7
208.96397	4.9
213.92271	1.4
214.95448	1.5
216.98624	1.2
217.04044	2.7
217.98851	2.7
219.01988	33.2
220.02132	2.4
221.01913	3.2
225.01109	1.9
230.93356	1.7
231.93414	1.8
232.96417	8.1
234.99782	5.1
235.99875	11.1
243.02051	4.3
249.94513	1.3
250.97453	10.6
255.93452	1.3
256.96512	10.9
261.03064	100.0
262.02765	1.3
272.94275	2.4
273.94495	4.7
274.97476	63.8
275.04498	3.5
277.00717	1.6
284.04608	4.5
290.95590	1.7
291.95432	4.9
292.98502	74.6
293.98438	1.3
297.99243	4.1
298.18530	1.4
298.97604	2.0
315.95795	2.0
316.00275	5.4
316.07211	2.3
316.98758	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	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03937	3.4
55.01864	10.5
55.05509	74.2
56.79560	2.4
57.03430	5.1
57.07071	11.0
59.04992	3.8
67.05138	4.8
67.05502	98.8
69.03416	7.7
69.07068	71.7
71.04985	7.3
71.08638	15.2
79.05490	49.9
81.07053	100.0
83.04987	8.3
83.08613	42.9
85.06538	8.0
91.05472	14.7
93.07045	40.1
95.04952	3.9
95.08604	77.8
97.06529	12.9
97.10167	56.5
99.08092	13.4
105.07027	13.5
106.07383	3.6
107.08596	46.5
109.06522	3.2
109.10156	52.5
111.08080	5.9
111.11738	5.1
117.07006	5.2
119.08571	11.2
121.10123	15.1
123.11728	19.9
125.09611	34.9
131.08597	6.0
133.10149	9.3
135.08037	5.3
135.11694	36.9
137.13240	13.2
137.84027	2.9
143.10652	2.9
145.10135	6.5
147.11719	6.9
149.13260	10.3
153.09181	2.6
153.12750	10.8
159.11684	4.8
161.13243	4.7
163.11150	3.0
163.14825	6.0
165.12828	3.8
171.10251	4.1
173.11847	4.8
173.13287	6.2
181.15970	2.9
183.13812	8.9
187.14784	4.2
189.11188	17.8
199.70082	2.4
201.16481	2.6
204.54576	2.5
216.93509	2.5
223.58913	2.3
233.22635	5.9
243.21117	10.0
251.10315	4.5
261.22083	23.4
266.12656	3.9
279.23181	56.9
297.24426	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	297.2423
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.60566	2.6
55.05513	14.5
57.07057	7.1
60.79588	2.8
62.06071	3.8
67.05499	26.1
69.07051	9.7
71.08629	100.0
78.24092	2.5
78.87409	2.5
79.05490	18.9
81.07054	49.5
83.04963	6.3
83.08597	11.8
91.05444	18.0
93.07040	15.1
95.08602	30.7
97.06523	6.6
97.10168	6.8
99.08083	88.4
105.07012	19.2
107.08578	11.4
109.10148	11.1
111.08025	2.9
117.06980	3.1
119.08569	10.0
121.10126	11.8
123.11700	7.4
127.11209	3.5
131.08551	9.2
133.10239	3.9
135.11703	5.9
137.13234	4.9
140.13124	2.8
145.10152	4.1
147.11681	39.5
149.09625	2.8
149.13260	4.9
151.14835	3.2
153.12764	9.9
163.11182	9.5
163.14801	11.7
165.12743	15.7
167.14268	4.7
170.29646	2.7
173.13232	4.9
181.15837	6.6
235.10773	2.9
236.07788	3.5
243.21078	7.4
251.10201	4.3
261.22256	14.4
266.12485	7.6
279.23199	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	35.2
55.01860	9.3
55.05511	14.4
56.52940	3.4
57.03430	28.2
57.07050	2.9
58.23152	2.6
65.03931	4.4
67.05501	89.6
67.17010	2.8
69.03422	4.8
69.07076	16.0
69.28497	32.8
71.04980	6.5
73.43385	3.1
79.05492	49.3
81.03417	71.9
81.06587	6.5
81.07050	100.0
83.04968	10.0
83.08601	6.2
85.06538	6.5
91.05473	50.0
93.06477	4.5
93.07042	66.1
95.04957	31.1
95.08598	52.5
97.06509	6.8
99.08111	2.9
105.07024	24.4
107.04945	40.8
107.08591	24.2
109.06479	9.8
109.10129	8.3
111.08054	7.0
115.05409	3.3
117.07026	24.3
119.08586	10.8
121.06486	15.1
121.10139	10.2
122.06763	4.4
123.04401	4.8
123.08065	32.3
129.06940	3.1
131.08565	26.2
133.06451	6.3
133.10161	15.4
135.08044	6.5
135.11676	36.0
136.06139	3.8
141.06973	9.5
143.08540	4.8
145.06493	26.4
145.10136	13.9
149.09546	3.8
149.13257	15.7
154.07765	4.6
159.08057	5.3
159.11673	37.6
161.09404	3.5
161.13248	3.0
163.11179	2.8
169.10123	13.1
173.13254	3.8
176.14348	5.4
177.12732	25.6
187.11156	30.8
194.32265	3.1
195.13789	15.7
205.12256	11.5
215.82941	3.1
223.13245	6.5
241.12213	4.1
241.14372	26.5
266.12671	4.3
266.27094	2.7
279.15787	19.3
297.04117	3.3
297.07480	10.7
297.11307	4.6
297.16895	35.1
297.20117	4.1
297.25632	4.8
319.21683	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03713	2.8
53.03945	42.8
55.01866	12.0
55.05508	10.6
57.03434	27.5
64.02107	1.5
65.03928	4.9
67.05502	87.2
69.03409	5.0
69.07053	9.7
71.04980	7.6
73.68446	1.3
77.03862	1.7
79.05490	50.6
81.03416	72.0
81.07050	100.0
83.04986	14.8
83.08595	6.4
85.06537	5.5
91.05475	35.7
93.07040	65.4
93.07635	3.7
95.01311	2.2
95.04957	32.8
95.08601	54.8
97.06514	8.1
98.21610	3.9
103.05434	3.2
103.96255	1.6
105.07024	24.7
105.76678	1.6
107.04951	52.3
107.08576	20.2
109.02867	1.5
109.06538	8.5
109.10143	4.8
111.04375	2.2
111.08069	7.0
111.11768	1.4
115.05411	4.2
117.07014	28.2
119.04958	3.2
119.08559	8.2
121.06498	16.6
121.10126	8.1
122.06823	1.8
123.04383	7.6
123.08050	30.8
128.06189	1.7
129.06987	4.0
131.04889	2.0
131.08566	22.2
133.06453	4.7
133.10152	12.3
135.08031	5.1
135.11684	39.3
136.11961	2.1
140.57791	1.6
141.06998	13.2
143.08582	2.9
145.06480	27.2
145.10091	10.2
149.05806	1.8
149.09573	2.1
149.13239	23.3
154.07724	3.7
157.10130	2.1
159.08070	7.5
159.11696	38.3
161.13280	1.6
163.11211	1.6
169.10106	13.4
176.14400	1.9
177.12740	31.7
177.14529	2.8
187.11168	29.3
195.13777	15.3
199.98962	1.6
205.12244	9.4
223.13338	5.3
225.24969	1.4
238.68750	1.5
241.14320	27.9
279.15881	14.7
294.19092	2.0
297.07755	2.5
297.16940	38.7
297.20184	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71761	1.6
53.03943	31.5
55.01870	13.0
55.05511	13.0
57.03433	33.8
57.07071	2.4
65.03949	5.3
66.57111	1.8
67.05499	89.8
69.03421	4.6
69.07073	11.2
70.20074	8.0
71.04985	5.3
75.57082	1.9
79.05486	50.7
81.02921	2.6
81.03413	75.8
81.07047	100.0
83.04976	14.6
83.08611	8.4
85.06535	5.7
91.05471	38.6
93.06474	4.1
93.07039	65.0
95.01328	3.6
95.04956	29.9
95.08596	56.6
97.06527	7.6
99.08134	2.5
100.11222	2.4
103.05465	2.2
105.07027	24.5
107.04948	45.7
107.08589	17.9
109.02915	2.6
109.06509	6.6
109.10159	4.1
111.04469	2.1
111.08081	5.3
113.06010	2.0
115.05433	3.0
117.07007	22.4
119.04945	7.1
119.08592	8.3
121.06495	14.0
121.10123	9.5
121.15615	1.8
123.04398	5.0
123.08058	27.9
129.06982	3.7
131.04947	4.0
131.08539	22.9
133.06516	4.2
133.10114	11.2
135.08034	6.1
135.11679	35.2
136.06242	2.6
137.05966	3.0
137.13219	2.1
138.22911	2.1
141.06981	13.0
143.08554	5.0
145.06465	20.9
145.10083	9.0
147.11652	2.6
149.09607	2.5
149.13235	21.2
154.07730	3.7
157.10210	2.2
159.08092	5.9
159.11678	37.4
163.11249	3.8
169.10054	14.3
177.12703	21.6
187.11177	35.3
195.13741	13.8
205.12206	10.3
223.13281	6.8
237.09190	3.0
241.14362	28.1
265.08600	4.4
279.15851	19.6
295.08566	2.2
297.04233	2.6
297.07639	4.5
297.11288	5.8
297.16904	39.0
297.20084	2.9
298.17471	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	297.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01871	5.0
55.05504	7.2
56.96554	3.4
57.03418	2.3
59.65269	1.5
65.03972	1.8
67.05508	10.0
68.99770	1.7
69.03426	5.6
69.07051	9.2
70.06582	2.2
70.74255	1.4
71.57543	2.2
79.05486	8.7
81.07051	9.8
83.04991	1.9
83.08618	3.7
85.62197	1.4
86.09718	2.7
91.05478	17.3
92.27789	1.4
93.07030	7.0
95.04947	4.3
95.08582	7.1
96.32711	1.8
97.06522	2.6
97.10117	1.8
100.11256	7.8
103.05463	5.2
105.07041	8.1
105.80473	1.5
107.04961	4.8
107.08596	5.0
109.06498	9.4
109.10135	4.3
111.04428	2.4
115.05428	5.3
117.07022	11.1
119.04939	5.3
119.08593	4.2
121.06510	12.0
121.10140	2.1
122.06814	2.4
122.81432	1.4
123.04415	37.2
125.05972	1.5
128.06230	4.5
129.07021	5.0
131.04961	1.7
131.08563	3.5
133.06454	1.9
133.10187	1.7
134.99635	1.7
135.08084	9.8
135.11632	1.8
136.06201	1.7
137.05969	80.2
143.08510	2.0
145.06482	20.6
145.10078	1.7
147.04402	100.0
147.08072	2.2
148.04878	1.9
149.05983	7.3
149.13234	2.9
151.07550	3.7
154.12225	3.5
157.10077	2.0
159.08066	6.8
161.05972	31.1
163.07545	30.2
163.11226	1.5
168.13789	2.9
171.14827	1.8
173.05949	16.6
174.99019	1.6
176.14204	2.0
177.14670	2.8
182.15421	1.7
187.07530	11.2
194.07245	2.6
196.13374	2.9
197.13185	1.6
199.14830	1.5
199.86821	1.5
210.14903	2.0
237.09061	3.1
239.03517	1.9
265.08569	4.4
266.12662	5.5
297.04102	2.5
297.07620	4.5
297.11197	13.4
297.16827	2.7
297.20432	6.2
299.06125	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	297.0755
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
67.05484	0.6
67.93595	0.2
71.04929	0.2
71.31948	0.3
71.42190	0.2
73.14400	0.2
79.05453	0.3
81.07049	0.6
83.08590	0.3
88.44419	0.2
89.03925	1.0
91.05481	0.6
93.07020	0.4
95.04928	0.2
95.08582	1.0
105.07001	0.3
111.58790	0.2
117.03339	0.2
119.09384	0.2
133.10150	0.3
135.04388	0.7
140.06261	0.3
151.03864	0.5
152.06195	0.8
153.07005	0.4
165.06992	0.4
168.05695	4.7
173.13219	0.3
179.04863	0.4
180.05658	0.4
181.06462	0.3
183.08051	1.9
195.07988	0.4
196.05176	11.9
197.05550	0.5
208.05206	0.2
209.05856	0.3
210.06749	0.3
211.07520	12.0
213.09186	0.3
224.04660	15.9
225.05029	0.3
226.06247	0.4
238.06325	1.0
239.07004	37.5
240.07362	0.7
241.08569	3.2
242.05716	0.3
252.04129	5.0
254.05687	1.0
266.12631	0.4
267.06488	23.7
268.06909	0.6
269.08060	0.7
282.05069	0.4
294.57083	0.2
297.07541	100.0
298.07907	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	296.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18801	3.4
55.01867	8.3
55.05508	6.7
56.76202	3.3
60.27165	3.0
63.70591	2.7
64.91106	3.2
65.45119	2.9
67.05498	9.2
69.03435	16.1
69.07074	5.9
69.37557	32.7
70.06612	3.7
73.02890	6.5
79.05470	13.8
80.05007	7.7
81.07048	13.5
84.04493	5.1
84.08148	6.1
86.06072	13.7
87.04469	100.0
91.05483	9.4
93.07031	8.3
94.06564	11.5
95.01283	3.1
96.04480	9.7
96.08106	3.4
98.06036	4.1
103.05493	4.7
105.07016	8.2
107.08587	3.6
107.56356	3.2
108.04500	3.9
108.08110	9.0
109.06490	5.3
117.07005	6.0
119.08585	9.6
122.06039	21.9
126.09121	3.2
129.06998	6.4
131.04926	5.6
133.06418	4.6
134.06020	4.9
135.08015	5.3
136.07558	11.8
136.11250	7.0
138.09145	7.8
146.09547	4.1
147.08124	5.1
148.07552	8.1
150.05505	12.8
150.09108	9.2
153.94476	3.0
162.09132	9.3
163.07600	5.9
164.08002	4.2
164.10686	17.5
174.09160	6.0
176.10738	10.4
182.08194	16.6
190.08647	4.4
192.10170	15.2
194.11800	9.1
206.11804	5.7
208.09770	5.4
220.13214	4.0
222.11267	20.2
224.12825	44.2
232.13269	3.9
234.10437	6.5
235.07474	8.2
236.09071	8.1
236.12903	5.9
248.12883	16.2
250.09964	6.4
250.14426	21.2
254.17618	7.3
260.12857	25.2
265.12183	19.4
267.35294	3.5
278.13901	92.5
289.62372	3.7
296.14951	46.7
296.18616	15.9
304.18604	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	13.2
55.01631	4.6
55.01872	63.5
55.05272	3.2
55.05508	45.4
56.01525	3.3
57.03417	5.9
57.07071	18.9
57.07301	3.5
67.05499	54.9
68.85487	3.8
69.03429	46.8
69.07070	45.3
70.90634	7.0
70.90970	3.7
71.04974	12.5
71.08624	16.0
73.02898	3.0
78.31453	3.2
79.05067	5.1
79.05488	61.3
81.03397	13.0
81.07053	63.0
82.66010	3.4
83.04977	33.6
83.08617	24.3
85.02914	16.5
85.06528	7.7
85.10164	13.8
88.11279	3.8
91.05475	60.7
93.07040	100.0
95.04980	32.2
95.08614	44.3
97.06529	28.0
97.10166	9.4
99.08081	9.9
103.05457	3.6
105.07033	42.0
107.04945	5.8
107.08588	37.9
109.06499	11.8
109.10142	18.0
111.04407	9.7
111.08070	68.1
113.09655	15.2
117.07018	4.0
119.08583	20.2
121.10138	63.9
123.05869	3.1
123.08035	10.9
123.11710	9.8
125.09596	7.7
125.86630	3.9
129.05484	10.1
129.06990	6.0
131.08536	12.0
133.10124	26.8
135.08054	7.3
135.11702	8.1
137.09605	5.2
139.11136	9.7
143.08548	8.2
145.10085	9.8
147.11678	18.5
149.09586	25.0
149.13248	11.3
151.11153	23.8
157.10077	7.6
159.11684	7.3
161.13255	11.6
163.11220	4.4
165.12726	25.8
167.10751	6.8
171.11620	4.1
173.49602	3.3
175.14783	3.7
179.14255	16.2
185.13269	3.2
193.56012	3.2
207.13725	3.8
211.69020	3.7
221.15367	5.2
231.21036	3.7
241.19609	4.1
249.22137	5.1
259.20407	11.0
265.12210	13.2
277.21606	68.5
295.15524	6.6
295.19522	5.6
295.22562	40.1
296.22275	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03930	17.7
55.01857	13.0
55.05507	41.9
57.03407	4.5
57.07070	10.5
65.03938	4.4
65.70491	3.7
67.05174	6.7
67.05505	90.3
69.07066	59.4
70.83189	12.8
71.04952	5.4
71.08607	9.4
71.32425	3.4
79.05494	60.0
79.32041	3.5
81.03415	86.7
81.07056	91.3
83.04981	21.2
83.08611	13.7
85.10147	4.0
91.05479	34.7
93.07043	58.9
95.04967	50.0
95.08608	31.9
97.06490	6.7
97.10158	13.4
105.07034	34.7
107.08601	29.7
109.06488	13.3
109.10164	24.1
111.08048	4.9
113.09617	4.7
117.06991	5.6
119.08568	18.7
121.10146	17.6
123.11710	8.8
125.09620	13.8
131.08577	4.7
133.10094	22.2
135.11671	8.5
145.10159	3.8
147.11678	21.0
151.11172	70.3
153.09154	4.3
157.10117	9.0
161.13214	19.0
163.14816	6.1
165.12738	13.8
165.58955	3.6
171.11713	6.4
175.14809	5.7
177.12965	4.3
179.14331	8.4
189.12762	4.9
203.75134	3.8
207.13777	8.9
217.19473	5.4
226.19922	4.4
231.21086	15.9
241.19522	6.7
249.22134	9.4
259.20514	10.5
270.75522	4.6
277.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.83798	2.5
53.03925	12.0
55.01624	4.1
55.01872	59.9
55.05508	65.8
56.96564	2.5
57.03432	7.6
57.07079	13.6
65.03951	3.3
65.28932	2.4
67.05501	86.7
68.05838	3.0
69.03431	40.0
69.07069	40.1
70.18043	6.0
70.18433	6.0
71.01350	5.8
71.04990	9.4
71.08621	24.6
79.05484	52.2
81.03418	21.5
81.07050	83.8
83.04977	42.2
83.08608	30.5
85.02899	9.9
85.06531	7.7
85.10170	11.4
86.09698	4.4
88.44275	2.4
91.05473	52.1
93.07040	100.0
95.04972	25.4
95.08606	47.6
97.06516	26.5
97.10155	13.3
98.20863	3.0
99.08081	20.1
100.17106	2.6
103.05499	3.5
105.07031	41.7
107.04962	5.9
107.08587	39.5
109.06514	12.2
109.10155	23.0
111.04447	7.8
111.08080	56.2
113.09624	16.7
117.07017	6.8
119.08569	26.5
121.06503	4.4
121.10128	56.5
123.08088	9.0
123.11702	9.2
125.09634	9.1
129.05504	5.6
129.06993	7.8
131.08580	10.7
133.10141	31.2
135.08058	4.8
135.11676	17.3
137.09584	5.4
137.13260	2.9
139.11194	7.0
143.08553	3.7
145.10136	8.0
147.11688	26.1
149.09598	17.3
149.13254	11.9
151.11176	26.6
153.12781	4.2
157.10135	7.2
159.11667	4.2
161.13249	16.6
163.11169	9.6
163.14816	6.5
165.12747	36.5
167.14293	3.8
171.11667	4.2
173.13277	4.7
175.11176	3.3
175.14886	6.0
176.14421	3.1
179.14328	13.9
184.07404	3.1
185.13257	5.9
187.13029	2.7
189.11137	5.2
190.33997	2.4
195.13969	2.6
203.14397	2.8
207.13812	3.5
221.15317	4.2
231.21056	4.4
231.59314	2.6
239.67390	3.0
241.19525	6.1
249.22099	4.0
250.09914	3.1
259.20593	7.7
265.12253	5.1
277.21609	94.7
285.00159	2.5
295.15579	4.1
295.22687	52.7
296.19864	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03934	12.2
55.01873	79.3
55.05513	60.7
57.07071	25.7
60.74030	6.5
63.32292	7.0
63.53654	7.6
67.05501	84.2
69.03406	10.2
69.07048	44.9
71.04966	12.4
71.08629	17.8
71.58557	12.1
79.05503	59.6
81.03394	16.4
81.07054	94.4
83.04947	18.6
83.08605	33.3
85.02901	14.4
85.10190	13.2
91.05486	51.0
93.07042	65.2
95.04948	25.9
95.08597	61.8
97.06513	26.4
97.10177	12.4
99.08069	24.6
105.07021	37.0
106.07458	8.8
107.08588	27.4
109.10152	31.1
111.08069	75.2
113.09624	14.9
119.08565	22.4
121.10143	38.6
123.08063	8.6
123.11713	16.7
125.56477	7.6
131.08597	13.7
133.10100	26.0
135.11667	21.9
139.11163	8.7
147.11624	17.3
149.09602	17.6
149.13246	13.7
149.80409	7.7
151.11183	17.7
161.13249	12.6
165.12726	32.1
179.14264	8.9
234.10287	15.3
235.07602	12.6
250.10046	13.4
265.12131	45.0
277.21609	100.0
295.15134	10.6
295.22409	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.05512	36.6
64.50991	12.1
67.05503	92.7
69.07059	37.8
70.83017	36.0
71.08621	48.0
71.14291	11.1
79.05492	65.1
79.93333	12.9
81.07059	65.0
83.08577	27.0
91.05473	40.7
93.07035	92.7
95.04949	14.4
95.08603	50.2
97.10178	28.2
99.08083	36.7
105.07019	26.8
105.96314	11.3
107.08601	48.6
109.10168	24.4
118.77140	12.4
121.10139	26.6
133.10117	29.2
135.11679	42.3
137.09564	11.0
147.11737	14.5
149.13307	17.9
151.11147	26.3
179.14299	100.0
189.11201	14.0
198.77641	12.2
202.22598	11.6
210.51225	13.5
277.21606	53.2
295.22586	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	6.6
55.01878	23.1
55.05513	63.2
57.03420	8.6
57.07067	20.7
67.05499	93.7
69.03442	7.0
69.07060	53.5
71.05006	9.5
71.08627	17.0
71.58114	7.7
73.26153	3.8
79.05490	51.8
81.03426	9.5
81.07048	100.0
83.04964	25.0
83.08601	37.7
84.14251	4.3
85.06547	7.4
85.10175	9.1
91.05469	46.5
93.07037	65.2
95.04942	27.6
95.08607	52.7
97.06522	16.8
97.10138	23.3
99.08086	10.2
105.07021	41.1
107.08601	36.3
109.06522	14.2
109.10119	25.7
111.08081	23.1
113.09631	4.7
117.06995	9.8
119.08580	24.2
121.06489	5.6
121.10136	27.1
123.08060	8.1
123.11751	9.5
125.09647	9.7
126.48531	4.1
129.06993	8.2
131.08575	12.8
133.10165	28.3
135.07994	5.5
135.11714	17.8
137.09637	11.5
139.11183	11.9
140.05768	4.6
143.08569	7.8
145.10133	9.9
147.11705	16.9
149.09579	7.7
149.13266	8.6
151.11162	15.9
153.12788	7.1
157.10211	9.6
161.13252	13.4
163.14874	5.4
165.12788	13.4
171.11731	8.2
173.13376	7.8
175.02473	4.1
175.11269	6.4
175.14796	6.7
179.08528	6.5
179.14316	10.9
185.13263	7.4
192.37535	3.8
207.08130	4.2
221.15279	5.8
231.21118	9.1
232.55553	4.3
241.19615	5.9
249.22224	7.7
259.20547	9.2
265.12186	20.3
277.21631	69.8
295.22552	51.8
295.29834	5.0
296.22461	6.8
310.74988	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03923	7.9
55.01869	11.3
55.05508	50.8
57.03424	3.3
57.07071	11.8
59.19311	2.9
67.05502	100.0
69.07062	42.1
69.87132	22.6
71.04996	5.5
71.08640	17.3
77.89194	3.7
79.05486	43.9
81.03420	17.6
81.07050	62.6
83.04984	13.4
83.08618	23.3
83.60882	3.0
85.06532	4.0
91.05472	28.1
92.26878	3.3
93.07041	59.1
95.04950	23.8
95.08598	41.6
97.06542	14.2
97.10177	15.2
99.08070	12.9
105.06989	22.4
107.08587	32.5
109.06540	4.0
109.10143	29.7
111.08096	5.9
114.31686	3.3
117.07041	5.8
119.08579	16.5
121.10156	17.3
123.08075	6.6
123.11710	7.0
125.09632	9.8
129.07033	4.6
131.08585	5.1
133.10135	12.8
135.11714	17.6
137.09686	7.9
137.13220	4.8
139.11200	10.9
140.38216	3.1
143.08586	4.2
145.10143	6.0
146.96153	3.8
147.08118	3.4
147.11676	15.0
149.09596	4.2
149.13266	11.0
151.11192	22.6
153.12700	4.4
157.10077	5.2
161.13268	14.4
163.11188	8.2
163.14842	4.9
165.12749	12.1
171.11705	5.1
175.14847	4.6
179.14363	7.6
185.13150	4.3
239.03391	3.1
259.20560	8.3
268.42935	3.1
270.60760	3.3
277.21619	56.8
277.24365	5.2
295.22681	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.40863	2.5
53.03948	6.5
55.01870	28.7
55.05505	61.9
57.03438	18.0
57.07076	42.8
57.23053	3.1
59.04966	4.0
65.03938	4.1
65.75883	3.0
66.39475	2.4
66.74611	2.8
67.05499	92.0
69.03410	9.4
69.07066	57.9
70.91764	6.7
70.92120	3.7
71.04984	10.0
71.08638	14.5
73.02905	9.8
73.06554	3.2
79.05486	78.2
81.03411	9.8
81.06581	5.7
81.07049	100.0
83.04976	29.1
83.08611	31.1
85.02904	40.1
85.06541	8.9
85.10172	3.5
86.09682	4.0
91.05471	49.3
93.07041	84.2
95.04961	36.2
95.08604	75.8
97.02895	5.8
97.06527	22.3
97.10168	11.6
99.08086	10.1
99.97472	2.6
101.02377	16.4
104.10719	3.5
105.07021	40.3
107.08581	41.0
109.06488	10.5
109.10150	30.6
111.08066	17.3
111.11677	2.9
117.06999	10.2
119.08589	21.4
121.06477	4.4
121.10133	31.3
123.08071	13.0
123.11684	12.5
125.09601	9.5
129.06979	8.7
131.08600	14.4
133.06494	31.2
133.07466	4.1
133.10115	45.7
135.08109	3.5
135.11665	23.6
137.05946	8.6
137.09645	9.6
139.11166	26.7
143.08516	7.8
145.10095	6.3
147.11684	21.0
149.09604	5.9
149.13234	12.8
151.11201	8.9
153.12686	6.0
157.10109	11.1
157.88605	2.8
159.11671	9.9
159.53076	2.8
161.09633	7.0
161.13219	12.4
163.14795	4.8
165.05482	7.5
165.12729	11.5
169.95741	2.8
171.11694	6.8
175.11166	20.7
175.14801	6.3
177.12709	2.8
179.14273	5.6
185.13199	7.6
189.16411	4.0
193.12308	19.2
195.13702	3.0
199.70918	3.1
203.10690	6.0
217.19479	2.9
221.11703	40.9
221.15230	6.6
231.21010	4.5
234.10280	3.2
235.07639	3.5
236.45479	2.8
239.12735	9.6
249.21844	3.6
250.09828	4.8
259.20502	7.5
265.12292	9.2
277.21634	59.6
295.19400	5.0
295.22614	43.5
296.22485	3.3
309.29742	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	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03933	14.8
55.01861	14.2
55.05512	45.2
55.60289	6.3
56.94007	5.7
57.03431	6.7
57.07068	18.2
60.08137	14.8
65.03938	5.4
67.05507	100.0
69.03410	8.6
69.07064	68.6
71.04992	14.7
71.07332	7.4
71.08638	42.4
71.30723	12.6
71.31066	7.2
75.92831	5.7
79.05484	56.9
81.03412	30.4
81.07051	84.7
83.04977	22.0
83.08609	26.5
83.14809	5.7
86.09709	50.9
91.05462	45.7
93.07046	59.7
95.04964	23.6
95.08591	61.9
97.06520	17.0
97.10157	24.5
99.08091	29.8
105.07007	38.9
107.04893	8.1
107.08601	36.4
109.06520	22.4
109.10156	30.3
111.08077	11.2
117.07019	6.1
119.08556	36.0
121.10149	35.3
123.08071	24.6
125.00012	30.9
125.09573	7.3
131.08562	11.7
133.10127	21.7
135.08057	14.5
135.11714	19.3
137.09637	18.8
145.10165	11.4
147.11668	23.5
149.13184	7.6
151.11185	34.1
157.10104	14.0
161.13220	13.4
163.11166	9.1
165.12854	9.2
171.11505	6.0
172.58273	5.7
177.16313	6.1
179.14314	35.6
184.07358	92.2
185.13202	11.0
199.64944	6.0
221.06010	16.1
221.15244	9.7
235.07501	7.1
241.19540	10.1
250.09860	18.1
265.12256	24.1
277.21594	82.7
295.05972	12.8
295.22690	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03957	31.3
55.01872	11.3
55.05511	43.6
57.03421	4.4
57.07056	13.8
61.79060	4.2
65.91880	4.3
67.05502	68.5
69.03413	5.9
69.07060	62.0
69.94670	31.1
71.04994	4.9
71.08618	5.9
78.93993	4.2
79.05494	57.7
81.03412	100.0
81.07047	85.0
83.04992	28.2
83.08617	18.1
85.02878	5.4
85.88476	4.2
91.05463	34.6
93.07035	70.4
95.04958	60.7
95.08614	32.9
97.06538	9.7
97.10163	9.7
99.08109	4.6
105.07023	33.3
107.08590	42.3
109.06514	16.5
109.10136	16.6
112.67229	4.8
117.07007	6.1
119.08584	15.8
121.10129	15.1
121.77932	5.0
123.11701	7.9
124.88048	5.6
125.09586	6.5
129.06953	6.1
131.08572	6.7
133.10104	18.6
135.11697	18.8
137.13170	6.7
145.10144	9.1
147.11681	22.0
149.13248	14.6
151.11197	53.6
153.09096	8.3
157.10124	11.2
159.11656	6.0
161.13240	23.5
163.14803	5.2
165.12758	9.9
171.11671	6.9
173.13184	6.0
175.14893	8.7
177.12775	4.8
185.13268	12.6
209.56520	5.6
221.15196	6.1
235.07607	5.7
241.19540	9.4
249.22101	9.8
250.09912	5.8
259.20529	13.6
265.12411	7.1
269.04382	4.8
277.21649	96.5
295.17148	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03933	8.9
55.01873	38.6
55.05509	63.8
55.86203	3.6
57.03423	6.9
57.07060	11.6
59.26567	3.4
67.05177	6.4
67.05506	100.0
69.03415	4.9
69.07068	63.5
70.23563	9.5
70.23977	14.2
71.04980	10.9
71.08604	5.4
79.05486	56.0
81.03404	8.1
81.07053	99.8
83.04964	15.6
83.08628	56.5
85.06540	12.7
91.05486	42.3
93.07043	71.7
94.04186	4.0
94.50095	4.5
95.04961	13.8
95.08607	73.7
97.06531	45.3
97.10175	20.9
99.08093	6.4
104.03387	4.9
105.07032	33.0
107.08589	32.9
107.69780	3.9
109.06534	8.7
109.10147	32.2
111.08056	14.6
111.77619	3.6
112.98059	4.1
117.06989	7.1
119.08570	21.3
121.10136	43.6
122.03653	8.5
123.03991	7.4
123.08059	11.9
123.11676	8.2
125.09646	19.8
129.06995	8.9
131.08525	7.8
133.10132	17.4
135.11658	22.7
137.05971	83.7
137.09601	7.0
138.06305	68.0
139.11195	9.9
145.10133	4.8
147.11676	34.6
149.09598	5.0
149.13260	16.5
151.11194	9.9
157.10101	6.6
159.11726	7.2
161.13283	11.0
163.14818	6.9
165.12747	15.6
171.11670	8.2
175.11278	4.3
175.14758	5.1
185.13312	6.1
193.12233	6.1
208.41959	4.2
234.10393	4.1
241.19611	4.6
259.20517	17.5
265.12253	6.8
277.21603	74.9
279.05905	4.9
295.22757	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	295.2265
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.44065	3.8
52.16980	3.7
53.03941	7.1
55.01867	53.1
55.05507	61.0
57.03431	5.9
57.07063	16.8
67.05502	87.7
68.05876	4.2
69.03428	5.0
69.07066	51.3
70.19109	9.8
70.19492	9.6
71.04988	6.3
71.08630	26.2
78.32059	3.9
79.05482	52.5
79.73101	5.5
81.03422	19.4
81.07049	100.0
83.04966	20.1
83.08608	38.4
85.06557	8.8
85.10166	14.1
86.77717	4.0
91.05475	42.5
93.07034	69.3
95.04962	27.7
95.08601	58.0
96.08975	5.2
97.06529	24.5
97.10172	12.9
99.08069	21.7
105.07034	46.2
107.08595	44.6
108.48463	4.5
109.06520	10.1
109.10173	32.1
111.08075	59.1
113.09648	9.6
117.07002	9.4
119.08559	27.1
121.10143	25.2
121.32874	4.3
122.60535	4.4
123.08061	14.1
123.11698	6.9
125.09634	13.4
129.06947	7.3
131.08553	6.8
133.10089	27.7
135.07988	5.8
135.11737	20.5
137.09622	15.4
137.13278	5.9
139.11151	10.0
145.10094	6.1
147.11694	19.8
149.09599	8.9
149.13251	17.8
151.11159	25.6
153.12711	9.5
157.10139	7.4
159.11661	7.0
161.13243	13.0
163.11195	9.0
165.12721	28.4
167.14258	9.9
171.11728	8.4
179.14359	13.8
189.11189	6.4
231.21002	5.6
241.19591	9.0
249.22177	6.6
259.20578	17.8
268.53461	4.7
277.21631	99.5
294.69220	4.2
295.22665	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.02339	3.2
53.03939	4.6
55.01876	17.1
55.05503	25.6
56.02158	2.9
57.03440	34.2
57.07061	10.8
60.33739	3.1
63.03339	2.7
66.07463	3.4
67.05505	58.9
69.03434	5.7
69.07076	26.5
69.66677	25.9
71.05007	4.3
74.62058	3.4
79.05497	43.0
81.03395	6.3
81.07053	100.0
83.04974	15.0
83.08615	20.2
85.06535	6.2
85.10198	4.7
91.05470	31.9
93.07037	57.6
95.04964	14.2
95.08604	76.5
97.06535	13.7
97.10169	8.8
98.20789	4.2
99.08079	5.0
99.73454	4.0
105.07031	29.6
107.04947	5.1
107.08607	33.7
109.06519	6.2
109.10165	24.7
111.08060	10.6
113.09650	6.2
117.07034	4.1
119.08575	22.2
121.10134	42.8
123.08067	9.5
123.11681	8.3
125.09599	9.1
131.08568	7.3
133.10106	20.9
135.11710	24.2
139.11188	5.8
145.10078	9.8
147.11682	15.8
149.09656	4.5
149.13300	10.4
151.11217	6.6
157.10097	4.4
159.11684	8.7
161.13333	5.5
163.14792	5.7
165.12723	18.7
173.13307	4.6
175.14853	8.2
187.14824	12.7
199.14796	3.2
203.17815	4.1
205.15865	5.5
210.82101	3.3
215.17923	3.7
221.19000	8.1
223.16933	6.2
231.20973	3.4
235.07434	5.6
241.19490	7.1
243.48216	3.3
250.09909	8.0
259.20569	13.5
265.12173	16.9
277.21588	55.0
295.20090	3.5
295.22775	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01863	9.2
55.05504	36.4
56.96547	3.7
57.03432	21.6
57.07061	8.1
64.88786	2.3
65.03936	3.9
67.05498	73.0
69.03429	4.3
69.07062	32.2
69.88274	2.1
71.04975	5.6
71.08602	4.0
71.57996	4.3
79.05489	52.7
81.03408	2.9
81.07048	100.0
83.04976	7.6
83.08608	15.6
84.08108	2.7
85.06529	6.8
91.05471	59.2
93.07034	70.9
95.04964	17.1
95.08595	81.4
97.06507	11.0
97.10155	6.0
99.08063	2.6
102.60751	2.3
103.05468	3.5
105.07019	57.3
107.08581	49.5
107.94520	2.1
109.06506	17.5
109.10139	22.3
111.08069	9.0
115.05430	3.8
117.07025	11.0
119.08566	64.9
121.06491	6.6
121.10135	15.2
123.08054	20.3
125.09651	3.5
128.06169	4.6
129.06940	10.7
131.08553	9.6
133.06482	2.3
133.10118	28.9
135.08049	12.5
135.11661	10.4
137.09645	6.6
143.08537	10.8
145.10126	7.0
147.08075	5.5
147.11652	13.7
149.09561	2.6
149.13185	4.3
151.11162	2.9
157.10130	10.2
159.11699	6.4
161.09682	3.6
161.13248	5.6
175.11180	5.0
175.14793	22.0
183.11742	3.0
185.13263	18.9
193.15800	2.8
203.14319	9.6
221.15321	19.0
234.10313	3.8
235.07616	3.9
239.16406	6.7
250.09886	5.1
251.16182	4.2
265.12231	10.5
277.21545	3.6
295.19025	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	295.1649
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
54.95185	0.3
56.05028	0.4
65.03923	0.4
67.05479	0.3
69.03416	0.6
69.07056	0.8
70.06586	0.4
70.07381	0.3
71.56766	0.4
72.08134	0.8
74.02441	0.4
79.05464	0.6
79.31558	0.3
81.03362	0.3
81.07075	0.4
84.04491	0.4
84.08141	0.9
85.02894	1.1
86.09702	5.4
88.03981	0.7
91.05476	26.6
92.05814	0.3
93.07050	0.7
93.49741	0.3
94.06580	0.6
95.08604	0.3
97.06503	0.3
101.34422	0.2
103.05472	0.5
105.07040	0.4
107.04962	1.6
107.08543	0.3
109.06476	0.6
118.06541	1.0
119.04934	16.7
119.08587	0.3
120.05325	0.3
120.08101	0.5
121.06495	2.5
129.10249	0.4
130.05019	0.4
130.08614	0.9
132.10202	1.9
136.07568	100.0
137.05927	0.3
137.07927	0.8
146.06010	0.8
147.04372	0.8
149.05901	0.3
150.07663	0.3
161.10764	0.5
163.03783	0.4
166.08565	0.3
249.16023	1.2
250.10645	1.0
250.14421	0.5
250.91394	0.3
263.37219	0.3
278.13754	0.8
280.49649	0.4
295.08249	0.3
295.16574	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	295.1325
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
51.02399	0.4
53.03933	0.7
55.01859	2.2
55.05500	0.8
57.03425	0.6
65.03933	0.5
65.80316	0.3
67.05495	1.4
68.82979	0.3
69.03409	1.2
70.04073	0.5
70.04484	1.6
74.26975	0.3
77.03918	0.4
79.05485	5.7
81.03404	0.6
81.07058	0.9
83.04942	0.6
85.06493	0.3
91.05473	7.3
93.07041	2.0
95.04958	3.0
95.08582	1.0
97.06526	0.4
98.20348	0.3
98.20912	0.5
103.05454	47.9
105.04503	0.8
105.07017	21.6
107.04940	7.9
107.05624	0.7
107.08575	0.6
108.05772	1.7
109.06474	1.8
111.04398	0.5
115.05431	3.1
117.06997	4.4
119.04932	1.3
119.08550	1.2
120.05706	1.7
120.08026	0.4
121.06491	14.5
122.03635	1.0
122.06059	0.3
122.06879	0.4
123.04417	0.6
123.08047	3.2
128.06241	1.1
129.07008	0.9
131.04916	43.0
132.05655	1.5
133.06477	68.8
134.06822	0.7
135.08035	36.1
136.05235	2.1
136.06099	0.4
137.05959	15.3
139.07521	0.5
139.44650	0.4
141.06963	0.9
143.04922	0.8
144.05707	0.9
145.06470	23.3
147.08034	7.6
149.05960	4.9
151.07524	20.5
155.06058	1.4
157.06468	5.2
158.07329	0.6
159.08102	0.8
160.05157	1.6
161.05963	0.5
163.07523	100.0
164.07919	1.8
165.06975	0.5
169.06424	0.7
171.08067	2.4
172.05240	0.8
173.05963	0.7
175.07529	5.6
179.08501	0.4
187.07507	2.5
188.08372	0.6
192.09348	0.7
194.07269	1.3
195.08086	0.6
195.56151	0.4
202.07791	2.0
203.08560	0.6
206.07182	0.4
207.08002	1.8
207.11639	0.5
217.10121	1.8
219.08081	1.4
220.08839	4.0
221.09567	0.4
231.08177	0.7
233.09612	0.5
235.07510	1.2
235.11134	6.1
237.08977	0.5
245.09537	2.9
247.07613	1.1
248.08376	2.2
249.09070	0.5
262.09888	0.5
263.10645	8.9
264.11224	1.1
265.08499	0.4
267.10312	0.5
267.13739	0.5
277.12259	0.7
280.11057	0.6
286.68372	0.4
295.13235	18.1
296.13492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
50.86831	0.7
51.39148	0.6
51.83441	0.6
56.05030	2.0
61.21120	0.7
67.05496	1.2
69.03425	1.1
69.07061	2.0
70.06586	1.1
70.91974	1.5
70.92323	1.1
72.08141	1.2
79.05505	3.3
81.03394	0.8
81.07072	1.1
84.04504	34.3
84.08147	2.7
85.02892	2.6
86.09688	3.4
88.03995	1.2
91.05479	2.4
93.07040	2.6
97.06431	0.6
103.05472	8.3
107.04958	9.4
117.04318	0.6
118.06569	1.0
119.04945	0.8
120.08105	100.0
121.08447	1.5
129.10239	1.0
130.05019	7.2
131.04916	5.4
136.07576	4.1
146.06058	0.8
149.05995	5.8
150.07744	10.8
161.07133	2.1
163.03954	1.0
166.08635	32.5
168.08054	0.7
177.05583	0.8
181.04980	1.6
186.09105	8.5
205.05063	0.7
232.09706	5.0
247.06065	1.4
278.10248	4.6
295.12881	4.9
295.16418	1.6
296.18466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.5
57.03425	0.8
58.06588	1.1
60.04508	1.8
68.23929	0.4
69.03436	0.9
69.07051	1.1
70.06579	0.6
70.30234	0.4
71.56756	0.5
71.57153	0.5
72.08163	0.5
72.84242	0.4
74.02451	1.1
74.06076	4.2
79.05497	0.9
81.07061	0.6
83.08616	0.4
84.04504	0.8
84.08137	1.1
86.09698	1.6
88.03995	0.7
91.05466	1.7
93.07017	0.9
94.04043	0.9
95.08593	0.4
102.05524	1.8
103.05464	1.1
105.07010	0.8
106.74909	0.4
107.04930	0.5
107.08549	0.5
109.06518	0.5
116.07079	5.7
117.15837	0.4
119.03542	5.4
119.04890	0.9
120.08102	11.4
121.06471	0.6
129.10240	0.9
130.06534	0.8
134.07077	0.6
134.08121	17.7
136.06183	100.0
137.03804	0.4
137.04625	4.1
137.06625	0.8
146.06004	0.8
148.06075	0.6
154.27492	0.4
162.04112	43.0
163.04361	0.4
163.12271	0.6
164.13101	0.7
166.08702	1.9
183.07941	0.4
199.53020	0.5
207.56561	0.4
231.11324	0.7
231.15262	0.4
237.02905	0.5
249.12399	0.9
249.16013	0.6
250.10744	1.2
277.15250	1.0
295.11469	2.8
295.16364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.2
56.96556	0.4
57.03430	0.7
57.89100	0.3
58.06594	0.7
58.99709	0.2
60.04527	0.9
67.05504	0.5
69.03418	0.5
69.07073	0.6
70.06596	0.7
70.16678	0.3
70.17012	1.4
72.08161	0.4
74.02451	0.7
74.06075	5.5
79.05512	0.3
81.03407	0.3
81.07074	0.4
83.04976	0.4
84.04494	0.7
84.08137	1.4
85.02904	0.6
85.12246	0.3
86.06097	0.3
86.09715	1.5
91.05470	1.9
93.07040	0.9
94.04042	1.0
94.06581	0.4
95.04968	0.3
95.08613	0.4
97.06516	0.5
98.20780	0.3
98.97582	0.3
102.05556	1.5
103.05473	1.0
105.07036	0.7
107.04948	0.5
116.06293	0.2
116.07072	5.2
116.98621	0.4
118.06497	0.4
119.03540	5.3
119.04941	0.9
119.07307	0.4
119.08577	0.4
120.08094	9.5
121.06495	0.3
123.11847	0.3
129.10255	0.8
130.06522	0.4
134.08118	19.2
134.99629	0.4
136.06177	100.0
136.07472	3.9
137.04585	4.0
137.06610	0.6
146.06000	0.7
148.04834	0.3
149.05957	0.3
162.04100	44.9
163.04457	0.4
163.12321	0.4
166.08658	1.9
172.81464	0.3
173.12872	0.4
203.15471	0.3
217.49852	0.3
231.11237	0.5
231.15112	0.3
235.07484	0.3
249.12355	1.1
250.10725	2.1
263.09271	0.3
277.15424	0.6
295.11407	2.8
295.16483	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	294.1813
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
53.03945	0.5
55.01855	0.8
55.05508	1.0
56.05034	5.0
56.96564	6.3
57.03431	0.8
57.07078	1.2
60.04522	0.8
61.02913	1.3
65.60986	0.5
67.05505	2.3
69.03423	2.8
69.07071	3.4
70.03122	1.9
70.06587	3.0
71.04987	0.7
72.04525	0.6
72.08147	1.8
73.02929	1.3
74.06049	0.8
74.97622	0.5
79.05490	0.7
81.03413	1.4
81.07040	0.7
83.04977	0.7
83.06102	1.8
84.04494	2.4
84.08140	100.0
84.96038	0.8
85.02895	4.9
85.08485	1.0
86.06052	0.5
86.09699	2.5
88.03999	0.9
89.37668	0.4
91.05458	1.2
93.07036	0.8
95.05004	1.1
97.02887	1.7
98.97580	3.2
99.04419	0.8
101.10778	3.0
102.05527	0.5
103.05465	0.6
105.07011	0.6
109.02908	0.7
110.07175	0.6
110.97597	0.6
112.07620	0.8
113.07175	0.4
115.07558	1.0
116.98602	2.8
119.01789	0.6
119.04970	1.3
120.08096	5.0
120.97962	0.5
123.04469	0.5
127.03912	0.8
128.02299	0.6
128.98563	0.6
129.10237	13.2
130.08646	2.2
131.00174	0.6
132.04834	0.8
132.10175	1.0
133.07664	0.5
134.99652	3.3
136.00006	0.5
137.06010	0.7
141.00987	0.7
143.00153	0.7
146.99660	1.7
147.04405	0.8
147.11279	4.6
158.99670	0.6
161.01224	0.8
162.05403	0.7
163.02643	0.5
163.04079	0.4
165.00685	1.1
166.08675	1.1
174.99092	0.6
177.00691	1.0
177.05896	0.6
185.07088	0.6
189.12329	0.8
197.07306	1.7
204.10287	0.8
205.00150	0.6
205.03716	0.6
213.03253	0.8
219.01785	0.7
223.11575	0.9
230.14041	0.6
231.11404	0.6
237.02832	0.9
248.15048	0.5
269.05402	0.7
270.05997	1.3
276.13824	0.9
277.07944	0.7
277.15430	4.5
294.10342	1.2
294.15100	0.5
294.18109	6.9
309.08563	0.5
312.06857	1.7
317.05594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01856	5.4
55.05269	2.8
55.05508	36.7
56.96537	2.4
57.06834	2.1
57.07076	28.9
65.03910	2.3
67.05501	47.6
69.03430	1.8
69.07066	66.7
69.98801	2.7
69.99210	8.3
71.04979	5.4
71.08630	13.2
72.38597	1.6
78.07160	1.7
79.05483	19.2
81.07053	95.2
82.07352	2.3
83.08151	2.3
83.08614	41.1
85.06167	1.7
85.06548	19.8
85.10162	2.8
91.05475	12.5
93.06462	3.1
93.07036	37.9
95.04942	4.0
95.08606	100.0
96.08924	2.2
97.06516	7.0
97.10172	21.8
98.97586	2.0
99.08064	7.7
102.49467	1.8
105.07011	6.9
107.08589	35.6
109.06503	4.3
109.10150	76.6
111.08083	21.5
111.11697	10.6
119.08566	5.9
121.10141	17.0
123.11691	38.5
125.09619	10.0
125.13229	4.0
131.08519	4.6
133.10106	3.0
134.99669	1.8
135.08089	1.8
135.11688	10.9
137.13251	17.1
139.11154	5.0
145.10130	2.4
147.11647	2.1
147.32658	1.6
149.09653	2.1
149.13268	32.4
151.14807	5.6
153.12724	7.0
159.11700	1.8
161.13229	2.1
163.14786	10.2
165.12726	1.7
165.16379	6.0
167.14288	7.5
175.42360	1.9
179.17902	3.1
193.19492	2.1
197.07144	1.8
205.19496	2.0
205.94838	1.9
249.25862	2.2
275.19998	6.9
275.27261	6.9
293.21109	3.0
293.28329	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	294.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	8.5
56.85754	1.9
56.96554	3.8
57.03419	1.8
57.07063	3.4
67.05482	4.0
69.07056	11.5
69.24163	1.9
70.06586	5.6
70.73916	6.6
79.05495	3.6
80.35664	2.1
81.07030	2.4
81.57202	1.9
82.06565	3.2
83.05635	3.5
83.06103	57.4
84.04497	65.8
84.08145	12.6
85.02895	2.7
86.09694	3.8
91.05477	3.9
95.08590	3.5
95.58789	2.2
98.21457	2.2
101.07117	8.3
103.05448	5.0
107.04929	2.8
115.07596	2.1
119.04968	3.5
120.08095	100.0
131.04947	5.7
134.99617	2.8
141.00883	2.1
147.04378	6.4
148.04703	3.6
149.05923	2.5
162.05505	10.1
166.08633	29.8
171.97150	2.0
175.06184	3.2
186.09166	6.7
197.07260	7.3
204.10164	16.5
230.12865	6.6
231.11276	27.5
250.10760	22.9
259.10861	1.9
276.13409	56.5
276.16437	3.2
277.11801	18.2
294.13138	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03933	1.7
55.01838	1.5
55.05238	1.6
55.05508	31.7
56.01035	1.3
57.06836	1.5
57.07076	24.3
67.05502	43.6
69.07067	67.1
70.20227	2.9
70.20618	2.5
71.08641	9.5
79.05486	15.3
81.07054	93.5
83.08617	47.6
85.06540	13.8
85.10174	2.7
89.59266	1.4
91.05466	5.6
93.07033	21.8
95.04947	1.5
95.08603	100.0
96.08943	1.6
97.06506	4.7
97.10167	21.0
99.08085	8.2
105.07034	3.0
107.08596	27.0
109.10153	77.5
111.08070	12.1
111.11704	12.9
121.10135	14.4
123.11702	38.4
125.09644	7.6
125.13256	4.7
135.11684	13.7
137.13252	14.6
139.11147	4.1
149.13258	32.8
151.14789	8.1
152.89442	1.3
153.12755	6.9
161.82239	1.3
163.14819	7.5
165.16391	3.7
167.14279	3.0
177.16377	2.3
179.17900	2.4
183.27585	1.4
191.17964	1.6
193.19548	1.7
219.21117	2.3
249.25800	4.1
275.27304	7.3
293.28372	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86097	1.5
53.03933	2.5
55.01865	3.5
55.05505	33.4
56.70357	1.3
56.96559	2.4
57.03436	1.9
57.06823	1.9
57.07074	22.8
60.26908	1.3
60.78531	1.3
65.03936	2.2
65.94186	1.4
67.05504	51.4
69.03419	1.7
69.07064	58.1
70.75630	4.5
71.04978	4.3
71.08624	11.2
73.96706	1.3
77.07095	1.3
79.05495	18.8
81.03432	1.4
81.07052	100.0
83.08612	41.7
83.09116	1.7
85.06540	12.2
85.10175	4.3
91.05486	11.9
93.07040	32.7
93.33671	1.3
95.04970	4.4
95.08603	99.0
97.06508	7.0
97.10168	18.9
99.08096	8.6
105.07021	12.3
105.60148	1.4
107.08593	31.2
109.06525	2.4
109.10151	71.3
111.08075	11.9
111.11717	10.5
117.07013	3.0
119.08595	10.3
121.10126	16.2
123.08057	1.7
123.11695	30.8
125.09637	7.1
125.13268	3.2
131.08522	4.8
133.10106	5.6
134.09680	3.2
135.11711	13.4
135.35110	1.5
137.09575	1.6
137.13239	13.5
139.11156	3.6
143.08557	1.6
145.10133	3.9
147.11678	6.1
149.09669	1.8
149.13266	27.1
151.14856	4.6
153.12784	7.1
159.11671	3.6
161.13283	1.8
163.14825	7.1
165.16357	3.2
167.14330	3.8
173.13173	3.4
177.16412	1.8
179.17990	4.0
193.19505	2.5
249.25764	5.0
257.18875	1.5
275.20074	18.5
275.27374	6.1
293.18320	1.8
293.21356	2.0
293.28363	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03929	3.1
55.01864	3.4
55.05508	33.6
56.96549	3.8
57.03421	3.0
57.07074	23.4
65.03930	1.9
67.05499	52.1
69.03406	4.8
69.07063	62.5
69.38371	10.4
69.38770	1.7
71.04976	3.6
71.08631	10.9
72.08150	1.3
79.05486	20.1
81.03406	1.8
81.07049	100.0
82.07355	2.1
82.77540	1.0
83.04978	1.8
83.08611	44.7
85.02884	2.0
85.06533	14.7
85.10155	3.2
91.05457	9.5
93.07034	34.1
95.04990	6.1
95.08599	95.0
97.06522	8.4
97.10159	18.7
99.08088	9.3
100.03953	1.2
105.07032	10.0
107.07862	2.4
107.08578	33.8
109.06487	2.8
109.10148	74.7
110.10415	1.0
111.08064	14.7
111.11713	11.4
113.09594	1.6
117.06995	1.8
119.08569	5.7
121.10135	17.1
123.08039	1.4
123.11702	33.9
125.09647	6.8
125.13251	2.0
131.08540	2.7
133.10114	3.2
134.09686	2.5
135.11668	9.6
137.13234	14.3
139.11140	3.3
145.10075	3.4
147.04391	2.0
147.11693	2.4
149.09795	1.2
149.13254	30.9
151.14774	6.4
153.12697	5.3
155.14273	1.6
159.11688	1.9
161.01180	1.3
161.13228	2.5
163.03896	1.1
163.11172	2.2
163.14821	8.0
165.16446	2.2
167.14326	3.5
179.17892	2.9
191.14249	1.8
193.19543	2.0
205.19522	1.7
219.20999	1.2
232.97816	1.2
237.02820	1.0
247.24130	1.4
249.23456	1.1
249.25780	4.1
259.76926	1.1
275.20032	5.6
275.27292	5.9
284.06818	1.9
293.08044	2.1
293.13556	5.0
293.18326	1.7
293.21170	4.1
293.28342	41.4
299.09106	6.6
300.09509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01839	1.0
55.05511	8.2
57.07067	1.8
65.03929	2.1
67.05502	85.9
69.07066	9.5
70.83604	2.0
79.05493	12.1
81.07053	100.0
82.07374	1.2
83.08608	4.7
85.06513	2.1
91.05473	5.1
93.07041	10.7
95.04941	1.7
95.08601	73.1
97.06534	0.8
97.10148	3.0
98.21222	1.1
105.07022	2.6
107.08575	9.2
109.10152	37.4
111.08078	1.1
117.07063	2.2
119.08566	4.7
121.10146	6.0
123.08068	2.6
123.11701	26.2
131.08577	3.9
133.10127	3.7
135.08017	1.0
135.11681	4.7
137.09615	1.9
137.13255	9.5
145.10132	3.5
147.11707	2.4
149.09604	2.4
149.13260	4.5
151.11186	1.4
151.14806	3.1
159.11707	2.9
161.13269	2.5
163.11229	1.2
163.14795	4.5
165.12817	1.9
165.16415	1.2
173.13266	4.8
177.12720	2.3
179.14273	1.3
187.14838	2.8
189.35443	0.9
191.14337	1.7
195.13686	1.2
205.15829	1.1
213.79596	0.9
243.21069	5.0
261.22110	7.8
293.24707	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03945	1.5
55.01857	3.6
55.05506	28.3
56.96559	1.5
57.07076	20.9
63.06982	1.2
65.03931	2.2
67.05500	41.6
69.03418	1.6
69.07065	55.8
70.20247	3.8
70.20650	2.9
71.04987	3.6
71.08630	11.7
76.79308	1.2
77.42862	1.2
79.05486	21.2
79.18902	1.3
81.03418	1.4
81.07051	90.4
82.07384	1.5
83.04971	1.2
83.08614	36.6
83.15675	1.1
85.06535	18.4
85.10181	2.8
91.05460	9.9
93.07036	29.9
95.04957	3.7
95.08602	100.0
97.06535	4.7
97.10162	20.6
99.08093	12.8
103.85387	1.2
105.07021	7.3
107.08585	30.8
108.08907	1.4
109.06524	3.9
109.10146	69.0
111.08068	12.4
111.11711	10.2
113.09666	5.9
119.08567	3.9
121.10139	16.4
123.10825	2.6
123.11703	33.9
125.09621	6.5
125.13296	3.3
127.11238	1.6
133.10077	1.2
135.11674	13.7
137.13254	13.4
139.11180	2.6
141.12730	1.6
147.11743	1.7
149.13255	19.2
151.14828	5.6
153.12805	2.1
155.14297	1.1
163.14798	10.3
165.16422	5.1
167.14317	2.1
177.16327	3.4
179.17932	3.2
183.59235	1.2
191.18047	1.6
193.19531	3.4
197.07182	1.3
205.19426	1.5
219.21120	3.2
237.22127	2.2
249.25914	5.6
265.17621	1.3
275.20041	3.1
275.27380	5.4
293.21124	3.3
293.28351	32.7
296.02060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03947	1.5
55.01882	1.1
55.05507	11.2
57.03444	0.8
57.07066	2.0
62.35637	0.5
63.47894	0.6
65.03936	3.1
67.05501	89.0
69.07067	11.8
69.07417	1.1
71.08624	0.9
73.06573	0.8
79.05489	17.4
81.03412	1.0
81.07052	100.0
82.07452	0.6
83.04985	1.7
83.08618	6.8
85.06561	3.5
91.05475	8.5
93.07041	16.8
95.04974	4.4
95.08602	77.9
97.06535	2.3
97.10170	2.6
98.20726	1.3
99.08088	1.4
105.07018	6.4
107.04958	1.8
107.08591	12.1
109.06520	2.7
109.10151	33.3
110.10548	0.7
111.08054	1.8
111.11690	0.6
116.20000	0.5
117.07022	2.9
119.08589	6.4
121.06494	0.6
121.10136	8.3
123.08075	2.5
123.11699	15.9
125.09607	1.1
131.08548	7.5
133.10123	5.6
135.08044	2.0
135.11685	7.6
137.09599	2.2
137.13245	8.4
139.11159	1.2
141.09044	0.8
143.08565	0.6
145.10115	6.2
147.11717	4.2
149.09581	4.5
149.13266	5.5
151.11099	1.5
151.14830	3.8
159.11656	4.9
161.09496	0.6
161.13222	3.0
163.11172	4.8
163.14841	3.3
165.12778	1.2
165.16374	1.1
170.45645	0.7
173.13239	4.9
175.14784	0.7
177.12791	3.0
177.16470	1.3
179.14229	1.4
181.12309	0.7
183.11606	0.7
187.14780	2.6
191.14258	1.7
205.15823	1.6
214.36270	0.7
217.19466	0.7
219.21005	1.1
222.85536	0.7
229.21774	0.7
233.22662	0.9
237.18361	0.7
243.21004	5.9
257.18823	1.1
261.22119	4.8
275.20041	6.9
293.21091	3.6
293.24661	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.1
53.69887	2.1
55.01869	9.8
55.05264	2.5
55.05509	32.7
56.96555	5.1
57.03440	4.4
57.07072	11.1
58.35650	1.8
65.03931	3.5
67.05505	51.8
67.66592	1.7
69.07067	39.1
71.02587	3.9
71.02941	1.9
71.04988	5.8
71.08633	4.2
71.27229	1.7
75.74216	1.9
79.05489	48.4
81.03407	8.5
81.07052	100.0
83.04975	7.9
83.08617	23.8
85.06540	14.5
85.10162	2.0
91.05480	37.3
93.07044	35.8
95.04973	19.9
95.08603	55.0
97.02831	1.9
97.06544	13.2
97.10162	12.9
98.97566	2.1
99.08100	5.0
105.07022	34.2
105.07685	2.9
107.04951	7.3
107.08582	32.6
109.06512	21.6
109.10150	33.7
109.27276	1.7
111.08084	7.6
111.11728	2.5
116.33318	1.8
116.98573	2.7
117.07018	10.2
119.08579	25.0
121.06532	4.2
121.10145	23.0
123.08086	11.0
123.11687	13.3
125.09643	9.2
125.13219	2.2
129.06999	2.9
131.08585	15.2
133.06465	2.1
133.10135	19.2
134.99721	2.7
135.08044	4.3
135.11699	13.6
137.09596	6.8
137.13234	3.3
139.11145	3.1
141.07028	2.1
145.10114	12.4
147.08093	2.0
147.11693	13.6
149.01178	2.6
149.09637	9.3
149.13280	8.3
151.11258	3.5
151.14844	2.5
155.08554	3.5
157.10165	6.8
159.11694	7.6
161.13252	3.6
163.11198	8.4
163.14818	4.9
165.12822	3.0
169.10149	2.8
171.11670	2.9
173.13255	6.3
175.11165	3.5
177.12695	3.9
179.14264	1.8
187.11150	2.3
189.11118	2.0
191.10480	2.3
191.14296	2.2
193.12341	3.3
197.13271	2.6
219.14037	3.2
221.13382	2.4
223.13203	2.3
229.19446	3.9
239.17918	5.1
247.20625	7.4
257.18945	8.8
275.20056	57.3
293.21115	25.6
293.28290	11.8
293.50119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01860	23.1
55.05510	73.5
62.90635	5.1
67.05166	6.1
67.05498	54.6
69.07060	15.1
69.87480	27.2
79.05070	7.3
79.05492	92.1
81.03416	6.7
81.07048	37.3
83.04985	10.7
83.08626	26.9
84.61165	4.8
91.05457	33.4
93.07030	36.4
95.04962	12.1
95.08598	14.5
97.06532	38.5
97.10152	32.5
98.04658	4.7
105.07030	34.7
107.04954	49.5
107.08598	65.6
109.10117	24.6
117.07013	13.4
119.08569	23.0
121.10098	20.3
123.11691	8.4
125.09629	43.4
130.18651	5.6
131.08543	13.9
133.10110	25.4
135.08038	11.9
145.10095	8.8
147.11687	13.3
149.09616	96.5
153.09125	5.3
159.11649	12.2
161.13339	6.7
163.11174	6.2
172.54419	5.5
173.13260	5.7
177.99405	5.3
188.32668	5.1
189.11221	34.9
198.69336	5.2
229.19577	7.3
234.26392	5.0
241.97260	4.7
257.18967	17.7
275.20038	100.0
293.20996	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	20.5
55.01863	23.3
55.05510	24.2
67.05502	61.2
68.64680	4.8
69.07069	48.5
70.83669	10.9
73.44674	4.5
79.05493	54.7
81.03414	41.1
81.07056	100.0
83.04957	10.2
83.08625	10.9
91.05492	44.8
93.07045	42.6
95.01319	12.8
95.04966	21.6
95.08611	38.4
97.06524	34.3
100.07716	4.8
105.07038	68.4
107.04958	19.1
107.08582	24.8
109.06533	25.3
109.10143	9.7
117.07017	19.6
119.08598	35.3
121.06494	11.9
121.10129	10.2
123.08057	17.2
131.08566	22.5
133.10147	33.5
135.11658	7.2
145.10141	14.6
147.11685	17.7
149.09634	17.3
149.13266	5.8
151.11188	8.8
157.10153	6.2
159.11679	14.0
167.92174	6.2
175.15036	5.6
179.14326	17.1
187.11250	10.3
219.17328	5.0
219.26118	5.0
229.19388	6.2
247.20595	5.5
275.20016	68.2
293.21118	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01876	19.1
55.05268	3.5
55.05511	44.6
57.07063	7.0
59.49442	2.9
66.57626	3.0
67.05498	49.1
69.03435	4.4
69.07072	27.6
70.31492	12.5
77.31734	3.2
79.05489	76.7
81.03417	8.3
81.07052	49.0
83.04980	11.5
83.08603	20.9
91.05479	39.7
93.07040	51.0
95.04963	20.8
95.08611	36.9
97.06543	23.4
97.10153	24.6
97.88402	3.2
102.50550	3.1
105.07024	54.1
107.04973	17.8
107.08592	92.8
109.06515	13.4
109.10172	23.8
117.07014	13.3
119.08582	27.7
121.06473	4.5
121.10147	19.4
123.08038	7.0
123.11673	4.3
125.09630	18.6
131.08571	18.3
133.10117	26.6
135.08118	8.0
135.11674	14.3
137.05956	6.4
137.09589	6.3
145.06577	4.2
145.10138	22.1
147.11725	18.3
149.09613	29.6
149.13309	4.6
151.11179	10.8
159.11700	12.8
161.13261	5.7
163.11189	9.8
165.09094	10.2
171.11755	4.5
173.13263	9.1
177.12740	4.9
183.11624	3.8
189.11227	17.3
229.19444	6.2
239.17987	6.5
247.20657	9.8
257.19049	17.8
275.20074	100.0
293.21121	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	6.7
55.01876	9.4
55.05510	25.7
56.15464	2.2
57.03421	5.1
57.07072	2.7
57.76580	1.8
65.03927	4.1
66.04733	1.7
67.05504	53.1
69.03415	4.1
69.06732	2.2
69.07072	32.5
70.47563	3.3
70.47948	3.5
71.04975	7.1
79.05492	49.3
81.03412	5.5
81.07053	100.0
82.07395	2.3
83.04975	6.6
83.08611	14.0
85.06581	1.8
91.05476	34.0
93.07045	31.6
95.04976	21.3
95.08608	35.1
97.06515	6.4
97.10162	5.2
105.07025	42.9
107.04937	7.8
107.08581	26.8
109.06507	21.4
109.10146	28.3
111.08088	4.3
117.07014	10.1
119.08576	36.6
121.06506	6.7
121.10146	15.2
123.08081	11.9
123.08828	1.7
123.11693	4.5
125.09598	3.5
129.06992	3.3
131.08554	14.5
133.10138	27.0
135.08081	8.9
135.11667	5.9
137.09595	12.1
143.08588	2.2
145.10133	12.5
147.11681	14.0
149.09660	8.9
151.11174	7.0
155.08553	3.0
157.10158	2.8
159.11676	8.6
161.13237	2.3
163.11206	4.2
165.12706	4.9
170.09438	1.7
173.09570	1.8
173.13222	4.7
175.74269	1.7
176.43901	1.9
177.12711	2.6
183.11717	2.1
197.07269	7.7
223.13394	2.2
229.19560	2.9
239.17853	4.3
247.20555	6.0
247.35399	1.6
257.19119	8.9
275.20062	52.4
293.21127	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	5.3
53.59523	1.7
55.01865	9.7
55.05510	29.6
55.39587	1.8
56.05838	1.9
56.96566	3.1
57.03425	3.6
57.07066	6.7
65.03920	2.8
67.05501	49.7
68.05846	1.7
69.03421	3.4
69.07064	29.2
71.04988	6.8
71.06780	2.5
71.07121	3.3
71.08627	2.5
79.05488	45.8
81.03418	5.2
81.07049	100.0
82.07388	3.1
83.04966	3.9
83.08614	24.7
85.06548	5.6
89.25456	1.8
91.05471	29.1
93.07033	32.9
95.04966	20.7
95.08604	41.2
95.09229	2.1
96.08926	2.5
97.06528	8.3
97.10131	12.1
98.97589	3.0
99.08101	4.4
103.05466	2.3
105.07020	25.5
107.04947	9.8
107.08579	26.3
108.08920	1.8
109.06522	22.9
109.10138	25.4
111.08099	5.9
116.98594	2.3
117.06974	8.8
119.08572	20.3
120.09006	2.0
121.06491	5.6
121.10142	14.7
123.08076	11.0
123.11667	10.4
125.09621	7.3
128.81940	1.7
129.07045	3.8
131.08528	12.1
133.06523	2.5
133.10121	19.2
135.08066	5.3
135.11662	8.4
135.12587	1.7
137.09642	5.9
137.13240	2.9
141.06995	1.9
143.08562	2.0
145.10112	10.8
147.08067	2.3
147.11671	18.1
149.01239	3.6
149.09631	12.2
149.13252	7.3
151.11177	5.3
157.10121	4.1
158.45773	1.8
158.94798	1.6
159.11681	8.8
161.09598	2.2
161.13339	3.8
162.60576	1.8
163.11157	9.8
163.14839	3.3
165.09114	2.2
165.12723	3.4
165.16602	1.7
169.10098	2.3
171.11694	2.8
173.09610	3.1
173.13257	5.8
175.11162	5.0
177.12712	2.5
189.11261	3.1
193.12325	2.0
205.12375	2.2
205.15849	3.6
229.19475	3.7
239.17979	4.6
247.20457	6.3
257.19040	8.1
271.12247	2.8
275.20035	58.0
276.20541	2.8
293.20999	26.9
293.28162	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	7.0
55.01869	9.6
55.05507	21.3
57.03431	2.7
62.55427	1.6
65.03931	3.2
67.05502	39.6
69.07061	15.2
69.60625	11.5
71.04985	5.4
79.05485	37.4
81.03409	11.6
81.07052	100.0
83.04955	4.6
83.08624	15.9
85.06544	2.4
91.05472	25.6
93.07031	23.7
95.04958	18.9
95.08601	17.4
97.06521	5.5
98.76888	1.7
98.97826	1.5
99.08080	2.2
105.07027	22.7
107.04956	11.3
107.08582	15.4
109.06511	39.2
109.10152	8.0
110.34100	1.4
111.08082	4.7
113.06030	1.6
117.07026	6.3
119.08582	17.3
119.79971	1.6
121.06527	7.3
121.10104	9.7
123.08064	10.6
123.11674	3.0
124.03174	1.4
125.09626	1.9
129.07045	3.2
131.08563	9.0
133.10124	16.1
135.08052	5.0
135.11674	5.0
137.09618	5.0
145.10109	11.0
147.11667	15.0
149.09607	9.3
149.13231	5.4
151.11172	5.6
155.08559	2.4
157.10139	2.8
159.11685	5.7
161.13304	1.9
163.11180	11.5
165.12743	3.8
171.11665	2.6
173.09653	2.4
173.13231	4.0
175.11130	4.5
177.12715	2.9
183.11740	1.7
187.11163	1.7
189.12709	1.8
193.12219	4.3
223.13271	1.4
229.19499	2.4
234.96806	1.4
247.20505	3.9
257.18997	7.5
275.20056	44.4
276.20508	1.5
293.21100	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.50838	2.7
53.03940	3.0
53.23652	2.6
55.01867	5.3
55.05502	18.7
59.50317	2.3
62.38395	2.2
67.05502	26.3
69.07063	25.0
69.84286	17.5
76.19561	2.4
79.05494	18.8
81.07052	34.7
83.04953	8.5
83.08619	3.5
88.10767	2.5
91.05467	17.7
93.07050	24.4
95.04952	11.8
95.08604	17.2
97.10147	2.5
100.76048	2.4
105.07028	24.3
107.04923	7.7
107.08598	13.5
109.06518	9.5
109.10117	7.2
117.07007	5.1
119.08553	13.8
121.06484	8.5
121.10138	10.2
123.08046	4.8
123.11697	3.0
131.08566	12.9
133.06526	3.4
133.10138	17.7
135.08041	3.9
135.11696	6.6
143.08578	2.5
145.10118	10.4
147.00331	2.5
147.08054	3.3
147.11719	9.7
149.09584	7.0
149.13234	2.8
151.11162	8.7
157.10081	3.1
159.08102	3.4
159.11646	7.6
161.09639	4.5
163.11255	3.4
171.06398	2.4
173.13264	5.1
175.11290	3.5
183.11676	3.8
189.12814	2.8
191.14368	4.2
197.13278	3.7
207.13756	3.6
219.13745	7.5
247.20621	4.9
257.19101	15.0
275.20050	100.0
293.21063	19.1
307.03317	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	7.7
55.01866	12.6
55.05509	33.0
57.03430	12.2
57.07084	3.8
65.03929	4.3
67.05499	40.4
69.03436	3.3
69.07058	23.7
69.79903	21.0
71.04961	6.0
79.05486	55.4
80.57231	3.7
81.03411	10.8
81.07050	63.1
83.04985	7.6
83.08617	16.4
85.06541	6.5
91.05469	57.5
93.07029	48.8
95.04957	23.3
95.08596	34.6
97.06514	20.2
97.10172	13.5
98.21436	5.0
105.07023	47.8
107.04943	15.3
107.08584	64.5
109.06513	21.0
109.10162	15.2
111.08057	4.4
117.07034	12.2
117.72209	3.2
119.08572	31.0
121.06459	5.8
121.10149	27.8
123.08067	8.9
123.11664	6.6
125.09621	13.5
131.08551	17.3
133.10123	28.0
135.08076	7.8
135.11664	10.3
137.09644	10.1
143.08617	4.5
145.10109	20.5
147.08134	3.4
147.11646	17.8
149.09598	20.0
151.11198	8.5
157.10133	4.3
159.11665	16.2
161.13235	9.4
163.11169	9.6
165.09085	6.5
169.10117	4.7
173.13324	5.6
175.14763	4.7
177.12726	4.2
183.11719	4.5
185.13205	11.0
187.11200	5.0
189.11168	4.4
201.16356	4.2
203.14241	4.8
214.79944	3.1
219.17403	37.7
221.15247	7.3
239.17931	6.0
247.20662	8.3
253.49066	3.4
257.18991	14.5
275.20041	100.0
281.84482	3.6
293.21121	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.2
54.08138	1.9
55.01861	8.4
55.05507	25.6
57.03428	4.8
57.07071	3.8
65.03944	2.5
67.05503	45.2
69.03416	3.1
69.07071	26.7
71.02158	5.8
71.04988	5.3
79.05487	44.3
81.03409	6.3
81.07054	100.0
83.04976	6.5
83.08622	14.8
91.05473	28.9
93.07042	39.7
95.04957	23.0
95.08607	25.1
96.52639	2.0
97.06538	7.3
97.10135	3.7
103.05360	2.1
105.07028	39.6
107.04934	6.5
107.08590	24.4
109.06505	22.9
109.10143	13.3
111.08082	3.1
113.57735	2.0
117.07002	9.4
119.08580	29.5
121.06493	4.2
121.10116	15.2
123.08073	14.4
123.11716	8.2
125.09630	2.9
129.07004	5.8
131.08548	11.2
133.10126	19.2
135.08008	3.8
135.11652	6.8
137.09607	10.0
145.10109	10.9
147.11699	15.9
149.09618	9.5
149.13251	3.0
151.11153	4.6
157.10144	4.0
159.11716	8.2
163.11198	8.5
165.12776	3.7
173.13309	4.5
193.12242	3.0
229.19540	2.4
247.20612	3.7
257.18958	4.0
268.27884	2.1
275.20062	47.0
293.21100	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03950	7.7
55.01868	13.2
55.05509	80.9
57.03430	5.8
57.07076	7.0
59.04989	4.6
65.03934	5.4
67.05171	6.7
67.05505	81.9
69.03422	8.1
69.07070	32.9
69.54902	24.9
71.04984	5.3
79.05060	6.9
79.05493	81.7
81.03420	10.4
81.07055	82.9
81.07524	5.4
81.27116	3.1
83.04975	12.1
83.08609	34.8
85.06539	6.3
91.05482	49.9
93.07047	59.0
95.04960	45.8
95.08609	50.8
97.06528	18.3
97.10171	22.5
98.20717	3.4
105.07037	52.9
107.04950	15.8
107.07878	5.8
107.08592	87.1
109.06503	18.5
109.10166	28.2
111.08092	12.1
115.05421	4.0
117.07023	14.6
119.08578	41.6
121.06538	10.7
121.10140	33.4
123.08067	14.5
123.11733	8.6
125.09618	20.6
131.08572	26.1
133.06541	4.4
133.10136	39.9
135.08072	9.5
135.11729	8.7
137.06033	6.3
137.09601	23.4
139.11191	6.7
145.10104	17.9
147.11694	18.7
149.09613	29.3
149.13339	3.6
151.11176	18.9
159.11728	14.1
161.13298	4.4
163.11194	14.7
165.12758	5.5
169.10039	6.3
173.13188	5.0
175.11208	4.1
177.12807	5.3
187.11066	4.2
189.11249	12.9
189.29083	3.6
197.13248	4.0
203.12849	4.2
223.13351	8.3
229.19485	4.9
239.18063	4.4
247.20709	5.8
252.76065	3.4
253.43672	3.4
257.18967	16.2
266.13486	3.5
275.20078	100.0
276.20523	4.1
287.81525	3.4
293.21082	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.34012	1.3
55.01873	4.0
55.05511	12.0
57.03436	18.9
59.04996	1.5
59.07628	1.6
66.34956	1.6
67.05502	25.5
69.07059	9.1
70.83469	1.8
70.83825	4.7
79.05494	23.0
81.03413	2.2
81.07057	30.2
83.04974	6.0
83.08621	6.4
85.06545	3.3
85.82918	2.1
91.05472	24.8
93.07040	24.1
93.63590	1.5
95.04951	9.1
95.08597	18.5
97.06525	4.3
97.10213	2.1
99.08112	1.8
105.07014	15.9
107.04906	2.9
107.08575	16.3
109.06523	8.3
109.10166	5.8
111.08094	3.0
117.07018	8.2
119.08590	13.6
121.06504	6.4
121.10121	10.9
123.08096	3.7
131.08571	14.4
133.10129	10.9
135.11708	6.4
137.09616	2.9
143.08545	2.2
145.10106	8.5
147.11685	5.4
149.09602	5.8
151.11169	3.0
157.10176	2.4
159.11714	5.5
160.53139	1.5
161.13303	2.0
163.11209	1.6
173.13269	3.3
177.12833	2.8
185.13213	3.6
191.07013	1.8
201.16399	6.2
203.14339	5.6
219.17432	100.0
221.15384	2.5
237.11337	2.2
257.19037	5.5
269.34335	1.8
275.20050	26.7
292.17181	1.6
293.21033	27.2
298.21121	1.5
314.92960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03937	3.8
55.05509	25.4
57.03430	3.7
57.07077	23.3
58.34850	1.8
65.03919	2.4
67.05499	40.7
69.06676	2.3
69.07061	45.3
70.21720	7.0
71.04971	1.7
71.08622	16.5
79.05068	2.4
79.05487	23.9
81.03413	22.4
81.07049	95.6
83.04966	3.1
83.08613	25.4
84.04488	3.7
85.04816	2.5
85.06503	1.9
85.10176	4.9
91.05464	19.4
93.06471	3.8
93.07038	44.3
95.04968	24.5
95.08600	94.8
97.06493	3.7
97.10155	12.2
105.07029	34.0
107.07864	3.1
107.08581	42.0
109.06522	5.3
109.10149	50.1
111.08035	3.3
111.11707	8.5
117.07041	1.9
119.08553	18.4
121.10133	28.0
123.08037	4.5
123.11688	22.6
125.09550	1.7
131.08441	2.1
131.10587	1.8
133.10117	19.0
135.08000	2.5
135.11667	21.3
137.09613	5.2
137.13251	11.8
147.11650	28.2
149.13228	17.8
151.11089	4.7
151.14772	3.0
161.13239	13.5
163.14796	13.7
165.12718	3.3
175.14772	7.0
177.16385	8.8
179.14294	2.2
189.16348	6.0
191.17960	3.9
203.17973	3.8
205.19679	2.1
215.13957	1.8
217.19588	8.7
231.21362	2.5
242.97546	1.7
247.24165	2.6
273.25745	38.9
291.26779	100.0
292.27136	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	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63711	3.6
69.32000	38.3
117.35653	4.0
278.28027	3.7
293.06302	100.0
294.06586	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	293.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01872	4.2
55.05503	1.4
56.96560	1.3
60.04509	1.0
61.01149	14.3
67.05508	1.9
69.03427	1.1
69.07060	1.5
70.06576	1.3
70.95446	2.2
71.04980	1.1
71.06125	1.7
72.04517	14.9
73.02902	2.4
77.00642	0.8
78.03790	29.6
79.05477	1.6
81.03436	3.9
81.07053	2.5
83.04967	3.7
84.04503	1.0
84.08132	1.6
85.02895	18.3
86.06069	5.0
91.05471	2.4
95.08597	1.9
97.02887	1.0
97.06522	3.0
97.65347	0.9
98.02383	1.7
98.06046	1.3
99.04449	13.8
102.03761	44.5
103.02140	4.9
103.03941	35.0
104.01707	1.9
105.07060	0.8
107.04937	0.8
109.02856	6.1
112.07594	1.0
114.03751	4.5
114.05534	2.9
115.08718	0.9
116.03500	1.2
118.03246	0.9
119.04936	2.6
119.08554	1.2
120.04809	9.3
126.05508	38.8
127.03921	10.9
131.06386	23.6
132.04788	18.1
132.05612	0.4
141.06602	2.8
145.10117	1.3
147.04398	6.9
147.05855	2.7
149.07434	100.0
152.07028	4.5
154.08615	4.9
156.06544	2.4
175.05388	5.7
180.06551	25.9
186.05951	1.3
198.07608	9.2
204.06802	1.4
216.08684	3.9
231.11765	6.5
233.09605	2.2
257.09616	3.6
275.10513	4.9
293.11646	52.9
294.12241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.69314	1.8
52.58352	1.7
53.03933	3.5
54.93221	1.6
55.01862	1.8
55.02236	1.6
55.05507	27.5
57.07071	12.7
65.03908	2.2
67.05168	3.0
67.05499	33.6
69.07062	60.2
69.34855	12.3
69.35286	5.6
71.08616	4.3
72.04504	5.3
79.05481	20.6
81.07050	100.0
81.47434	1.8
83.08608	20.6
85.06544	17.0
91.05466	8.9
93.07040	38.8
93.19698	2.3
95.04967	3.0
95.08598	94.2
96.08942	2.0
96.60067	1.8
97.06515	4.3
97.10174	13.4
99.08080	13.0
99.90170	1.8
100.11799	1.7
105.07023	13.6
107.08590	57.4
109.06494	2.2
109.10147	73.8
111.08047	12.6
111.11703	9.3
111.26429	1.8
113.09638	5.6
116.04768	1.6
118.06548	7.4
119.08566	13.4
121.10130	44.8
121.87553	1.9
123.11696	42.3
125.09637	8.5
133.10094	9.5
135.11684	34.1
137.13252	17.5
139.11185	3.8
147.11699	8.7
149.13237	45.5
151.14853	4.2
153.12711	4.7
161.13249	7.0
162.09106	3.0
163.14806	38.0
165.16486	2.2
167.14323	3.0
175.14809	3.9
175.24068	1.9
176.14334	22.1
177.14912	3.3
177.16338	16.0
181.15860	4.9
189.16432	3.0
191.17914	9.5
193.15948	2.5
202.15889	9.3
203.17947	5.2
205.19482	4.8
209.19102	3.1
209.54416	1.8
217.19551	7.1
219.21237	1.9
221.19034	2.4
230.15413	4.1
235.20445	4.2
245.16562	3.0
247.18111	7.0
247.24178	5.6
260.10873	2.3
273.25735	6.3
274.14246	9.4
280.62756	1.7
291.17053	16.9
291.26810	63.0
292.19116	25.6
309.30225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03941	3.1
54.94434	1.4
55.01880	2.0
55.05509	22.7
57.07073	23.3
59.17707	1.3
67.05502	41.3
69.07066	41.7
69.34954	13.6
69.35358	3.7
71.08630	19.0
79.05490	20.8
81.03413	15.6
81.07052	80.5
83.04983	1.7
83.08613	27.8
84.04495	3.6
85.04822	2.4
85.06529	2.4
85.10173	4.2
91.01309	1.5
91.05478	18.8
93.07041	34.9
95.04963	24.8
95.08602	86.9
97.06495	3.0
97.10170	13.9
99.08038	2.0
105.07024	31.0
107.08580	33.3
109.06513	5.8
109.10152	46.1
111.08064	2.5
111.11696	6.3
117.07029	1.5
119.08576	20.5
121.10139	23.5
123.08035	4.2
123.11700	20.3
125.09613	2.1
133.10132	21.4
135.11682	22.4
137.09604	6.2
137.13268	9.4
139.11192	3.2
147.11687	22.9
149.13264	15.3
151.11121	4.2
151.14804	4.1
161.13254	16.6
163.14832	13.6
165.12761	7.1
165.16365	2.5
175.14815	6.7
177.16400	7.4
179.17934	2.3
189.16373	7.7
191.17938	4.4
203.17961	4.3
217.19513	8.8
247.24219	3.4
273.25742	31.4
291.26791	100.0
292.27249	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03943	1.7
55.01857	2.0
55.05508	24.3
56.96526	0.9
57.03433	1.4
57.07072	11.1
63.86483	0.8
65.03921	1.3
67.05502	37.1
69.03426	1.3
69.07066	53.4
69.45576	6.5
70.06592	0.9
71.04990	1.8
71.08608	3.5
79.05065	1.4
79.05489	20.1
81.07056	100.0
82.07374	1.4
83.04976	1.2
83.08150	1.4
83.08617	23.1
84.04491	0.9
85.06538	18.3
91.05478	14.0
93.07039	43.7
95.04941	3.1
95.08604	92.5
97.06511	4.4
97.10178	15.1
98.20751	1.6
99.08089	11.7
105.07025	16.8
107.08591	55.5
109.06510	1.4
109.10152	68.8
110.10450	1.2
111.08083	12.2
111.11709	9.1
113.09614	3.1
117.50033	0.8
119.04922	1.7
119.08583	14.2
121.10139	38.8
122.10459	0.9
123.08075	1.5
123.11705	42.0
125.09633	7.8
125.13269	2.7
127.11192	1.1
130.95821	0.9
133.10124	9.3
135.11691	33.3
135.12711	1.9
137.09656	1.2
137.13251	15.5
139.11183	4.5
140.45760	0.8
145.10117	1.2
147.04387	5.6
147.11685	7.2
149.13254	39.5
151.11229	1.1
151.14775	5.7
153.12723	4.7
161.13255	7.2
161.22318	0.9
163.14819	25.8
165.12784	2.1
165.16394	3.2
167.14287	2.9
175.14810	3.4
177.16382	17.1
179.14305	0.9
179.17918	1.1
181.15846	3.5
189.16374	2.5
191.17926	8.4
193.15871	1.1
195.17456	2.3
202.07628	1.0
203.08560	1.6
203.17941	3.8
205.19591	5.0
205.21213	0.9
207.17308	1.0
209.18993	2.9
217.19423	4.3
219.21172	1.0
221.19011	3.1
231.08089	1.7
235.20572	3.2
237.77014	0.8
247.24158	7.9
248.08295	3.1
249.22127	1.7
263.10846	1.2
273.25745	5.3
276.07935	1.2
291.10410	4.8
291.26819	52.6
292.27158	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03935	3.2
55.01880	1.3
55.05510	15.8
56.77959	1.4
57.07045	1.8
57.79006	1.3
63.76624	1.4
65.03937	2.1
67.05503	34.0
69.07069	15.5
69.53262	12.3
79.05492	69.1
81.07061	37.7
83.04988	1.6
83.08618	6.1
85.06554	3.1
91.05478	25.8
93.07043	100.0
95.04958	7.2
95.08610	33.0
97.06547	2.6
97.10156	2.4
99.08097	1.7
105.07034	17.3
107.08591	55.4
109.06512	3.3
109.10152	11.5
110.55980	1.5
117.07030	4.2
119.08575	12.9
121.10136	42.2
123.11718	2.7
129.06990	1.9
131.08575	5.2
133.10120	12.3
135.11691	49.4
135.12721	2.5
137.09645	1.9
143.08565	2.4
145.10162	7.1
147.11684	9.5
149.09657	2.6
149.13272	32.3
157.10139	2.4
159.11728	4.2
161.13231	8.9
163.11192	2.7
163.14880	9.9
171.11667	3.0
173.13226	1.6
175.11104	2.3
175.14818	5.1
177.12788	2.7
180.33278	1.3
185.13298	2.8
189.12759	1.9
191.14255	1.6
195.13942	1.5
199.14862	3.1
213.16454	1.5
217.19495	1.6
235.16908	2.1
241.19511	4.2
259.20566	6.1
291.23196	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03948	5.4
55.01872	3.5
55.05512	30.5
55.76282	2.3
57.03420	3.3
57.07058	3.3
59.04987	3.2
65.03947	4.0
67.05170	4.0
67.05506	47.0
69.07070	21.4
69.34039	3.0
71.08264	5.4
71.08619	3.9
79.05497	57.3
81.07059	70.6
83.04976	4.1
83.08630	13.0
85.02927	2.6
85.06544	7.5
91.05486	29.1
93.07046	88.8
95.04974	15.8
95.08621	47.1
97.06546	6.9
97.10168	6.6
99.08110	5.4
105.07040	23.3
107.08588	50.9
109.06526	62.6
109.10163	11.9
117.07049	8.6
119.08599	18.4
121.10148	48.7
123.08084	7.8
123.11707	6.1
129.06964	4.0
131.08580	7.8
133.10161	15.8
135.07982	3.7
135.11708	48.1
137.31386	2.8
143.08572	3.5
145.10088	8.7
147.11710	13.6
149.09653	4.3
149.13271	32.6
149.78703	2.4
151.07536	3.6
151.32309	2.4
159.11674	7.4
161.13277	9.3
163.14841	7.4
165.12747	44.3
165.97215	2.3
169.03470	2.4
171.11693	5.2
175.14807	6.0
185.13376	3.6
189.16315	3.1
199.14958	3.3
201.74503	3.3
221.15361	3.4
235.16911	17.2
241.19577	4.8
249.18494	7.4
259.20486	4.3
273.18665	2.7
291.19717	9.5
291.23199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95761	0.8
53.03930	3.5
55.01844	1.6
55.05273	1.2
55.05510	16.9
57.07055	2.7
65.03921	1.8
67.05504	38.2
69.07066	18.7
70.83387	2.6
79.05494	70.6
80.05841	1.3
81.07052	49.7
83.04977	1.9
83.08621	8.6
85.06561	1.8
91.05477	28.7
93.07040	100.0
94.07366	2.4
95.04963	9.0
95.08603	33.4
97.06518	3.3
97.10164	5.2
99.08090	1.3
105.04507	1.9
105.07027	16.9
107.08590	57.8
109.06519	2.9
109.10158	12.5
109.47921	1.0
111.08066	1.3
117.07005	4.5
117.63430	1.2
119.08563	13.9
121.06492	1.3
121.10138	43.2
123.08041	2.7
123.11718	3.4
125.09617	1.2
129.06976	2.4
131.08569	6.6
133.10135	13.5
135.08026	3.0
135.11687	53.7
137.09592	1.9
139.11133	1.6
143.08553	1.5
145.10114	4.5
147.11700	11.6
149.09613	3.9
149.13249	38.7
150.13560	1.1
157.10089	3.1
159.11653	5.7
161.13252	8.0
163.11182	2.5
163.14822	10.1
171.11652	2.7
173.13234	3.5
175.11142	1.3
175.14825	3.7
177.12727	2.8
181.12071	1.2
185.13254	3.9
189.12740	2.1
192.38466	1.0
199.14809	1.9
203.14262	1.3
209.15427	1.7
213.16353	1.6
217.19489	2.2
221.15315	1.3
231.17494	1.7
241.19447	3.9
249.18489	2.7
259.20544	7.3
267.05798	1.0
291.19891	2.5
291.23163	45.8
292.23538	1.3
304.75232	1.0
310.89603	1.1
311.98712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41332	2.9
53.03938	4.1
55.05511	21.1
57.07077	5.4
59.05005	3.2
67.05505	42.1
69.03406	3.0
69.07064	18.4
71.57803	4.4
71.58183	4.3
79.05487	62.3
81.07056	56.7
83.08617	7.3
91.05482	35.6
93.07037	100.0
93.12002	2.9
95.04960	10.3
95.08604	38.8
97.10152	6.5
104.07455	3.8
105.07032	21.2
107.04968	6.0
107.08593	55.5
109.06490	6.2
109.10173	14.3
111.08052	4.0
116.59615	2.6
117.07005	5.0
119.08555	19.9
121.06465	3.6
121.10136	43.8
123.08054	5.6
123.11662	5.5
127.84056	3.2
129.06981	4.2
131.08571	8.3
133.10117	12.6
135.08037	6.9
135.11682	46.5
137.09656	4.0
143.08556	6.7
145.10110	11.1
147.11668	9.6
149.09615	7.7
149.13268	34.3
157.10095	6.5
159.11720	5.8
161.13245	9.2
163.14845	10.3
171.11674	5.7
175.14864	6.0
177.12888	4.3
185.13197	3.8
191.82658	3.6
207.13646	4.0
210.62560	3.4
213.16393	4.6
249.18489	6.1
259.20563	6.3
273.18402	3.5
291.19537	25.0
291.23175	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01629	0.2
55.01870	2.6
55.05508	8.2
57.03415	0.6
57.07062	0.4
59.04984	0.3
61.20227	0.2
63.21041	0.2
65.03921	0.5
67.05499	5.0
69.03400	1.0
69.06722	0.2
69.07061	3.4
71.04976	0.7
71.58490	0.3
71.58918	0.2
79.05487	8.1
80.35552	0.2
81.03420	1.2
81.07051	7.4
83.04990	1.1
83.07288	0.2
83.08614	3.9
85.06528	0.2
91.05472	7.8
92.06260	0.3
93.06470	0.4
93.07037	5.7
94.04172	0.6
95.04964	3.9
95.08604	2.8
97.06521	0.5
97.10155	3.0
103.05441	0.5
105.03419	0.2
105.07022	6.8
107.04940	3.2
107.08589	3.6
108.05743	0.5
109.06498	1.0
109.10153	0.9
111.08049	0.5
115.05429	0.6
116.06220	0.9
117.07014	2.6
119.04920	2.1
119.07799	0.4
119.08576	5.2
120.05702	0.7
121.06501	1.8
121.10136	1.2
123.08062	1.2
123.11684	0.2
125.09608	1.8
128.06200	0.4
129.07007	1.9
130.07738	0.6
131.08557	3.2
133.06477	3.7
133.10081	1.1
134.07278	1.2
135.08064	1.5
135.11673	0.5
137.05971	0.3
137.09622	0.3
142.07689	0.2
143.08508	1.3
145.06435	0.4
145.10144	2.1
147.08035	4.0
147.11678	0.7
149.09627	1.4
151.07440	0.3
155.08540	0.4
157.10094	0.7
159.11670	0.6
161.09622	1.2
162.10385	1.5
163.11107	1.2
165.09082	0.2
169.10100	0.3
171.11658	0.6
173.09529	0.2
175.11165	1.1
185.13251	0.3
189.11230	0.3
203.14285	0.2
223.13202	1.1
245.18976	0.5
249.14862	1.7
249.18620	0.4
255.17430	0.4
261.14847	0.8
273.18478	2.8
291.19513	100.0
292.19940	1.5
296.99808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03928	1.3
55.01875	2.0
55.05273	0.6
55.05512	8.2
57.03417	1.0
57.07061	0.5
64.18056	0.3
65.03919	0.5
67.05180	0.4
67.05503	6.2
69.03415	1.2
69.07064	4.7
69.89980	1.5
71.04971	1.0
73.73822	0.4
79.05489	8.3
81.03402	1.2
81.07052	8.5
83.04964	1.1
83.08611	3.7
85.06521	0.6
91.05480	8.7
93.07038	8.5
94.04150	0.6
95.04961	4.9
95.08611	4.2
97.06506	0.7
97.10170	3.6
101.59882	0.4
103.05453	0.8
105.03400	0.4
105.06391	0.6
105.07028	8.7
107.04949	4.2
107.08607	4.9
109.06514	1.7
109.10133	2.0
111.08086	1.1
116.06241	0.6
117.07007	3.3
119.04952	2.2
119.08586	6.2
121.06506	2.5
121.10113	2.4
123.08067	1.9
125.09605	1.7
128.06212	1.0
129.06972	1.9
130.07701	0.4
131.08586	3.7
133.06503	3.7
133.10118	1.8
134.07259	1.4
135.08031	2.2
135.11665	1.2
137.09607	0.6
137.29793	0.4
143.08551	1.5
145.06500	0.5
145.10100	2.9
147.08040	4.0
147.11659	0.8
149.09642	1.8
149.13225	0.5
151.07506	0.7
152.53787	0.3
157.10106	1.5
159.07979	0.5
159.11703	1.2
161.09637	1.7
161.13226	0.7
162.10349	1.3
163.11176	1.6
165.09036	0.5
169.10425	0.4
171.11682	0.7
173.09529	0.4
175.11205	1.1
189.12787	0.6
195.11617	0.5
223.13316	1.3
227.17996	0.6
245.18935	0.9
249.14894	2.8
249.18452	0.7
259.20499	0.6
261.14944	0.5
262.15567	0.4
273.18530	3.8
291.19531	100.0
292.19852	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.52520	2.3
53.03933	8.0
55.01873	18.8
55.05505	37.5
57.03421	6.2
57.07063	3.6
65.03929	3.6
67.05497	37.9
69.03418	8.1
69.07058	18.0
71.04967	7.2
71.58636	4.8
76.07652	2.0
79.05487	85.5
81.03415	5.3
81.06581	4.8
81.07049	78.3
83.04966	7.9
83.08600	15.6
85.06525	2.3
91.05474	51.3
93.07040	55.5
95.04961	34.5
95.08598	32.7
97.06496	2.9
97.10178	17.1
99.08078	4.8
103.05454	3.3
105.03381	5.9
105.04458	3.8
105.07024	32.3
107.04946	28.4
107.08587	34.5
109.06499	12.6
109.10146	9.2
111.08061	3.7
115.05453	7.2
117.07010	35.1
119.04906	6.2
119.08567	62.3
121.06481	31.2
121.10123	20.5
121.52230	2.1
123.08076	11.1
123.11773	3.3
125.09621	16.8
128.06226	2.6
129.07039	14.7
130.07762	3.9
131.08551	24.6
133.06477	10.9
133.10098	11.0
135.08051	19.9
135.11676	10.7
137.09598	3.5
143.08537	7.4
143.10739	2.2
145.06505	3.5
145.10130	26.7
147.08032	32.5
147.11630	3.8
149.09622	13.1
149.13249	6.5
151.07498	4.6
153.09003	3.2
157.06430	2.6
157.10110	10.1
159.07933	2.8
159.11658	11.9
161.09621	16.2
163.11220	7.7
165.09094	2.4
169.10120	3.3
171.08043	3.2
171.11684	6.3
173.09607	2.9
175.11174	5.3
183.11685	3.3
185.13271	6.4
187.11195	3.2
189.11172	8.5
199.11224	2.9
203.14336	4.0
207.13745	3.5
213.12868	5.1
223.13237	5.5
227.17944	3.7
241.72533	2.6
245.18980	5.8
249.14787	21.9
255.17493	5.3
269.57516	2.6
273.18491	45.6
291.19525	100.0
291.22986	8.7
291.26337	3.1
296.61438	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	9.3
53.29673	2.7
55.01867	23.6
55.05508	27.3
57.03434	17.8
57.07065	5.2
64.13180	2.4
65.03915	5.3
67.05176	4.1
67.05505	63.2
69.03412	7.0
69.07066	15.3
69.60280	21.3
71.04998	2.9
76.33300	2.6
79.05490	81.3
79.05956	4.5
81.03394	5.7
81.07052	91.4
83.04965	9.8
83.08617	7.6
85.06522	4.2
89.48730	2.7
91.05482	52.4
93.07040	39.5
95.04965	77.8
95.08609	22.7
97.06514	4.6
97.10166	6.3
102.48600	2.7
105.07017	38.1
107.04942	31.5
107.08587	31.9
109.06511	100.0
109.10146	8.8
111.08043	4.8
115.05466	4.4
117.07008	24.8
119.08570	27.1
121.06468	11.4
121.10146	11.8
123.08079	9.3
125.09601	3.7
128.06157	3.2
129.06989	11.1
131.08553	24.2
133.06471	7.6
133.10124	12.7
135.08049	82.0
135.11656	6.9
143.08546	11.5
145.06409	3.2
145.10098	17.6
147.08052	16.1
147.11694	6.6
149.09615	10.4
149.13245	3.8
151.07544	3.8
155.08516	3.1
157.10127	9.0
157.46577	2.5
159.11682	7.7
161.09619	16.9
161.13235	3.2
163.11165	8.1
169.10217	3.2
171.11725	6.2
173.13246	2.9
175.11238	4.2
185.13275	3.2
187.11147	2.5
189.12718	4.0
199.14774	3.2
217.15904	8.8
227.17902	4.1
245.19144	4.2
255.17416	3.7
273.18466	37.5
291.19522	53.4
291.22757	1.8
291.27170	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	1.6
55.01870	23.9
55.05508	10.4
55.56030	1.3
56.05024	2.7
57.03437	17.2
57.07065	1.9
65.03916	1.7
67.05499	25.3
69.03410	2.0
69.07065	5.2
70.24710	4.9
74.06082	2.7
79.05491	43.6
81.07060	17.5
83.04964	2.0
83.08614	3.5
85.06538	3.1
88.07634	9.9
89.07984	2.1
91.05481	28.6
93.07040	17.3
95.04960	19.5
95.08598	8.2
97.06528	1.5
98.20793	1.3
105.07028	17.3
107.04951	13.3
107.08586	23.8
109.06514	63.8
109.10136	3.4
111.08075	1.8
113.05894	1.1
115.05448	3.6
117.06998	11.5
118.88966	1.2
119.08527	6.2
121.06499	3.0
121.10148	4.2
122.08109	1.3
123.08040	1.8
129.06970	5.9
130.07780	1.2
131.08531	12.2
133.06439	2.6
133.10115	5.1
135.08047	100.0
135.11713	3.3
137.09612	1.5
143.08578	4.5
145.10126	9.2
147.08020	4.7
149.09615	6.6
157.10107	5.2
159.11642	4.0
161.09598	7.5
163.11198	1.3
169.10114	1.9
171.11667	2.8
175.11148	1.8
177.12778	1.7
183.11696	1.5
186.88550	1.5
195.11725	2.5
199.14841	3.7
201.12825	1.9
217.15889	16.5
219.13829	1.2
227.17921	2.8
243.25081	11.7
245.19016	1.9
255.17366	3.8
273.18542	17.8
273.26031	1.4
291.19559	26.4
291.27197	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01861	2.4
55.05513	9.7
57.03429	1.8
57.07071	3.5
59.05000	3.2
65.94909	1.3
67.05499	6.4
69.03415	2.1
69.07062	3.0
71.03337	3.1
71.04987	3.8
79.05485	11.1
81.07043	9.3
83.04957	3.6
83.08602	8.9
84.03666	1.2
84.69972	1.4
85.06532	3.9
87.27681	1.3
91.05484	9.7
92.04655	1.5
93.07040	13.8
95.04953	7.6
95.08604	14.2
97.06518	4.3
105.07030	10.5
107.04948	16.4
107.08574	11.4
109.06515	9.8
109.10191	3.2
111.08073	42.4
113.09615	2.6
117.06995	3.0
119.08565	10.2
121.06475	3.4
121.10145	5.2
123.08066	36.3
125.09645	3.1
129.06953	2.0
131.08554	7.0
133.06474	3.8
133.10104	10.4
135.08043	5.3
135.11678	2.6
137.09660	2.7
143.08504	2.2
145.09070	1.3
145.10107	8.0
147.08083	4.9
147.11655	7.2
149.09621	7.1
151.07530	100.0
152.07866	1.8
155.10638	1.4
156.09245	2.2
157.10120	3.9
159.08054	1.6
159.11575	1.4
161.09615	4.9
163.11215	3.2
167.10725	1.2
169.10193	1.5
171.11649	2.3
173.09709	1.4
173.13246	6.4
174.10316	3.0
175.11183	4.6
177.09062	3.1
179.10683	5.1
181.12196	2.6
187.14789	1.3
189.12743	29.5
191.14259	9.5
192.11432	3.9
197.11725	12.5
197.13261	2.9
207.13785	68.0
211.58688	1.2
215.14296	2.9
217.12158	3.2
233.15332	28.5
233.17258	1.1
236.81453	1.4
249.18570	2.9
255.17313	3.1
273.18365	7.5
291.19525	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.51771	3.0
53.03936	7.9
55.01861	20.7
55.05510	66.1
57.03436	12.0
59.75414	3.0
63.41321	3.0
65.03907	3.7
67.05504	52.3
69.03447	8.3
69.07063	23.0
70.74055	5.6
70.74411	5.0
71.04998	8.8
74.07948	3.3
79.05486	91.3
81.03417	7.3
81.07048	85.9
83.04977	6.9
83.08609	31.3
85.06549	6.9
91.04906	4.9
91.05477	97.6
93.07030	44.5
95.04961	21.8
95.08607	30.3
97.06516	6.7
97.10169	27.9
105.03387	5.7
105.07018	52.3
107.04957	28.3
107.08585	40.1
109.06518	15.9
109.10145	17.2
111.08089	3.6
115.05415	9.4
116.06241	6.1
117.07020	50.1
117.18299	4.1
119.04932	7.8
119.08575	93.4
120.05712	3.2
121.06496	22.5
121.10114	20.8
123.08058	7.6
125.09602	24.6
128.06224	5.2
129.07033	22.9
130.07716	4.0
131.08548	41.0
133.06505	9.1
133.10120	14.2
135.08051	32.0
135.11714	10.7
143.08543	23.5
145.06476	5.5
145.10118	40.9
147.08034	67.4
147.11650	4.3
149.09627	17.8
151.07556	4.6
157.10107	16.2
159.08069	6.8
159.11688	15.2
161.09648	16.5
163.11177	5.5
169.10141	3.3
171.11687	10.4
173.13229	3.4
175.11153	4.8
185.09605	4.3
185.13283	8.0
189.11226	11.8
195.11758	3.9
213.12726	4.9
217.15916	10.8
223.13148	4.3
227.17960	7.9
245.06491	3.3
245.19037	8.2
249.14851	8.9
255.17380	18.8
273.18460	100.0
291.19531	92.7
291.22852	4.6
291.26450	6.6
309.00470	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	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.49029	0.9
55.05497	4.8
57.07056	2.0
59.04989	2.1
67.05498	5.2
67.11565	0.9
69.03409	2.2
69.07057	2.3
70.17948	4.2
71.04974	1.5
79.05486	4.1
81.07050	4.6
83.04988	1.7
83.08605	3.7
85.06525	1.4
91.05473	5.4
93.07037	8.2
95.04960	3.9
95.08611	10.7
97.06551	2.8
102.26864	1.0
104.64207	1.0
105.07011	11.7
107.04942	4.4
107.08594	5.4
109.06523	6.7
109.10152	2.5
111.08086	20.5
117.07008	1.6
119.08563	7.9
121.06477	1.6
121.10148	4.2
122.07278	2.4
123.08069	34.1
129.07053	1.2
131.08527	2.3
133.06487	3.2
133.10091	5.9
135.08012	4.8
135.11711	2.2
137.09645	3.1
145.10165	6.5
147.08023	2.2
147.11678	5.8
149.09586	4.0
151.07533	100.0
152.07895	1.6
154.69313	1.1
156.09343	3.4
157.10146	2.4
159.08080	2.1
159.11720	2.1
159.80371	1.2
161.09651	4.4
161.13271	1.5
163.11139	2.7
171.11731	2.6
173.09560	2.0
173.13261	2.9
174.10388	2.2
175.11186	3.0
177.09154	1.1
179.10612	6.0
187.11134	1.5
189.12721	27.9
191.14299	2.8
192.11388	5.7
197.11716	13.4
197.13272	1.7
205.12239	1.5
207.13789	61.3
208.14215	2.0
213.16258	1.8
215.14278	2.6
217.12158	2.7
231.17488	1.3
233.15300	8.0
235.13202	1.2
261.37457	1.0
273.18478	3.7
291.19522	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	6.3
53.96473	4.0
55.01873	15.7
55.05509	59.6
57.03431	10.0
65.03918	4.2
67.05173	4.9
67.05505	62.0
69.03440	7.7
69.07077	27.1
70.21821	16.5
71.04987	9.1
71.05360	3.4
79.05491	95.5
81.03417	7.6
81.07056	100.0
83.04983	9.0
83.08630	28.8
91.05482	99.2
93.07033	74.3
95.04953	29.3
95.08607	38.5
97.06564	6.0
97.10157	14.5
103.05473	3.4
105.07026	74.7
107.04980	21.0
107.08590	41.6
109.06510	15.5
109.10153	12.0
111.08063	10.9
115.05455	11.2
116.06229	7.1
117.07015	59.8
119.04935	7.7
119.08578	78.5
121.06496	22.9
121.10162	23.7
123.08064	14.7
125.09632	12.6
128.06224	11.9
129.07016	25.0
130.07759	8.5
131.08566	63.9
133.06529	8.5
133.10107	25.2
135.08044	23.9
135.11693	10.5
137.09598	6.0
139.11189	5.7
141.06924	5.5
142.07820	4.8
143.08556	36.8
145.06458	5.2
145.10110	70.4
147.08034	44.2
147.11685	8.6
149.09628	13.5
149.13254	4.2
151.07562	13.8
157.10143	23.0
159.08127	7.9
159.11690	19.5
161.09644	19.3
161.13300	4.3
163.11206	11.7
169.10123	7.9
171.11678	13.9
175.11205	9.9
183.11591	3.6
185.13277	7.3
189.12842	6.1
195.11691	8.5
199.11205	4.4
207.13857	10.9
217.15825	5.3
227.17944	6.1
235.37312	4.1
237.16374	9.3
245.19075	5.9
249.14801	11.5
255.17471	8.4
273.18451	65.4
289.97229	3.7
291.19525	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	4.4
55.01871	13.9
55.05510	39.6
57.03429	6.0
57.07067	19.4
67.05504	41.2
69.03440	9.0
69.06729	1.8
69.07064	21.6
70.06586	6.0
71.04986	3.7
71.06551	3.1
71.06945	5.3
71.08617	2.6
79.05488	54.7
81.03403	6.4
81.07056	72.7
81.25292	1.6
83.04973	7.3
83.08620	19.8
83.53683	1.7
85.06535	12.7
88.07627	10.1
89.07950	3.7
91.05477	41.7
91.15520	1.5
93.07039	38.6
95.04961	32.7
95.08601	43.1
97.06525	6.5
97.10168	15.2
97.41451	1.5
102.09170	5.3
103.05442	2.6
103.09512	2.7
105.03387	2.7
105.07022	28.9
107.04937	15.2
107.08593	27.2
109.06522	10.0
109.10157	22.3
111.04436	2.3
111.08067	4.6
115.05453	4.3
116.06207	1.7
117.07014	21.7
118.81471	1.8
119.04908	4.6
119.08576	43.9
121.06494	19.5
121.10144	20.4
123.08048	27.2
123.11716	9.5
125.09636	11.9
128.06206	3.3
129.07008	11.8
130.07779	2.3
131.08571	18.6
133.06483	5.5
133.10127	9.5
135.08025	11.9
135.11685	8.2
137.09613	9.3
137.13304	2.2
141.06979	2.1
143.08586	7.4
145.10110	19.7
147.08041	28.3
147.11681	6.5
149.09596	10.0
149.13309	3.5
151.11279	1.6
153.09061	3.1
155.08684	2.3
155.25510	1.4
156.65811	1.6
157.10136	7.6
159.08067	3.0
159.11707	6.9
161.09595	12.1
161.13237	3.1
163.11168	10.4
163.14783	1.7
165.09081	9.6
168.47705	1.7
171.08047	1.7
171.11665	4.2
173.11790	1.8
175.11230	6.2
185.13286	4.3
187.11156	1.8
189.11227	6.8
189.12828	2.1
191.17969	5.5
193.12308	2.7
194.69041	1.8
195.11766	2.2
203.14241	2.2
217.19461	2.1
223.13338	7.5
227.18037	4.5
228.23232	2.8
229.23544	24.4
245.19080	5.1
249.14906	8.1
255.17360	8.5
263.20074	1.8
273.18506	46.0
273.25958	5.3
291.19553	100.0
291.27115	55.5
292.19913	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	291.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
57.07071	1.8
58.48146	0.6
67.05492	3.6
69.07070	5.9
69.41905	6.2
71.36878	0.6
72.04511	21.5
79.05466	2.1
81.07058	10.0
83.08598	2.4
85.06523	2.3
85.77101	0.6
88.03963	1.1
91.05482	1.9
93.07037	4.2
95.08601	10.8
97.06467	0.8
97.10158	1.7
98.02399	0.7
99.08066	1.0
105.07031	3.1
107.08578	5.2
107.99219	0.6
109.09452	0.9
109.10155	7.6
111.08077	1.2
111.11695	1.0
113.01788	0.7
116.03457	0.8
118.06536	17.3
119.07231	0.7
119.08565	1.8
121.10140	4.2
123.11701	4.2
125.09636	0.8
131.56621	0.7
132.08127	3.8
133.08842	1.4
133.10114	1.8
134.09636	1.0
135.11664	3.3
137.13222	1.9
144.08070	7.8
146.09639	4.7
147.11633	1.0
148.11188	0.9
149.13249	4.5
158.09671	1.0
160.11223	1.6
161.11932	0.8
163.14821	2.3
165.26842	0.6
171.09200	0.7
172.11177	1.7
176.14337	100.0
177.14656	1.9
177.16293	1.5
187.08614	2.0
189.10233	2.8
191.17982	1.2
202.15900	42.1
203.16161	0.9
203.17906	1.0
213.67357	0.7
217.19464	1.1
229.17065	4.8
245.16495	13.8
246.14877	2.9
247.18039	32.0
273.15973	7.8
274.14349	37.6
291.17004	88.7
291.26599	6.5
292.14832	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	291.1701
Annotation	CL 22T
Peak:m/z	Relative Intensity
54.03442	0.4
55.01862	0.9
55.05507	0.7
67.05497	0.7
70.25884	0.9
70.26292	0.6
72.04511	28.1
73.04877	0.4
81.07036	1.2
88.03979	1.1
91.05434	0.4
93.07007	0.7
94.06549	0.3
99.00808	1.0
100.11252	0.4
107.08616	0.6
109.10097	0.4
116.03468	0.8
118.06533	18.0
122.75999	0.3
130.06557	0.4
131.08551	0.7
132.08073	6.9
133.08859	2.5
134.09624	1.1
144.08066	7.5
145.08942	0.6
145.10065	0.4
146.09631	7.1
147.10463	0.7
149.13191	0.3
158.09624	3.4
159.10397	1.0
160.11234	1.4
171.09184	0.9
172.11197	1.8
176.14330	100.0
177.14670	2.3
187.08640	2.3
188.07013	1.0
189.10251	1.4
201.10202	0.4
202.15892	40.7
203.11839	2.0
203.16254	1.0
204.12674	0.6
217.13351	1.1
229.16982	5.0
245.13853	0.5
245.16476	14.3
246.14781	2.9
247.18044	32.4
248.18492	0.7
259.14017	0.3
273.15955	9.4
274.14343	38.0
275.14706	0.5
291.17001	79.5
292.17328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02376	0.5
53.03929	0.7
55.01863	1.4
59.20003	0.4
65.03924	1.1
67.05490	1.3
68.99779	1.9
69.86259	1.0
69.86658	1.9
75.18043	0.4
77.03933	0.7
83.04970	1.4
85.02910	1.0
88.56812	0.4
91.05469	3.0
93.03408	1.7
95.04958	3.2
97.02906	0.5
105.03387	0.7
105.06987	0.8
107.04939	0.7
111.04441	3.5
115.05441	1.3
119.04935	6.2
122.59270	0.4
123.04421	68.4
124.04778	1.1
127.03923	0.9
129.02124	0.4
131.04875	0.4
133.06450	1.0
133.77481	0.4
135.04437	0.5
137.02335	1.1
137.06013	1.1
138.68417	0.4
139.03894	100.0
140.04256	1.6
143.04921	2.6
147.04404	23.0
151.03871	2.5
151.07526	0.6
153.40091	0.4
161.05966	6.8
163.03894	2.3
165.05464	14.6
166.05788	0.5
169.04927	1.4
177.05475	1.0
179.07018	3.0
180.16376	0.4
181.04948	0.6
189.05487	2.4
207.06512	6.4
231.06773	0.5
249.07626	1.3
273.07642	1.5
287.07022	0.5
291.08633	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03949	0.8
55.01865	2.7
55.05510	4.8
57.03420	1.8
57.07067	1.0
67.05496	6.0
68.99783	6.2
69.03400	0.8
69.07059	5.1
70.70318	2.1
71.01331	0.7
71.04978	1.1
76.37457	0.6
77.03918	0.7
79.05072	0.8
79.05498	8.5
81.03415	1.6
81.07047	10.7
83.04971	3.1
83.08622	2.1
85.06530	0.8
91.05476	5.7
93.03371	1.3
93.07043	8.1
95.04972	5.7
95.08601	7.7
97.06516	3.9
97.10161	1.7
99.04443	4.0
103.05457	10.2
105.07030	9.4
107.04950	23.1
107.08585	4.3
109.06510	4.4
109.10159	4.0
111.04449	5.5
111.08087	2.2
117.06991	2.2
119.04986	0.8
119.08566	2.3
120.05743	1.5
121.06496	14.4
121.10125	2.7
123.04420	100.0
123.11732	1.4
124.04732	1.0
125.05984	11.0
125.62524	0.7
127.03854	3.5
129.06953	1.1
131.04906	3.7
131.08560	2.3
132.05711	1.2
133.06476	2.6
133.10095	2.1
135.04439	0.7
135.08044	13.9
135.11668	1.4
136.06216	1.1
137.05969	34.5
137.09573	0.6
137.13261	0.9
138.06689	0.9
139.07550	5.6
145.06509	0.6
145.10132	2.6
147.04318	1.5
147.08055	1.0
147.11647	1.5
148.04034	0.6
148.05185	2.5
149.05974	20.8
149.09647	1.8
149.13254	1.5
151.07512	0.8
157.10159	1.0
159.11723	1.1
161.05969	16.5
161.09602	1.1
163.07532	76.8
165.09058	0.8
167.07025	91.3
168.07448	1.2
171.11470	0.7
174.06740	1.0
175.07564	0.8
175.20480	0.7
189.09090	1.9
217.16153	0.7
260.82553	0.7
268.89725	0.6
273.11066	1.9
273.18457	2.0
291.12308	11.3
291.15683	1.0
291.19547	5.5
291.26721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05035	14.6
57.07080	9.6
58.06599	6.3
60.04525	1.8
64.51637	0.5
68.04998	0.8
69.67105	4.1
71.08630	4.2
74.06083	11.6
79.05508	0.6
79.63248	0.7
81.07065	0.7
84.04498	0.8
85.10169	1.8
86.06071	1.6
86.09283	0.5
88.07631	46.8
96.38353	0.6
99.52300	0.6
104.07116	0.6
118.08657	7.3
122.08141	5.8
134.14648	0.6
167.44359	0.6
210.22162	0.7
228.23155	0.5
242.24782	43.2
243.25160	0.6
272.25897	2.6
273.73999	0.6
290.18259	1.9
290.26886	100.0
291.27179	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	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03947	0.4
55.01864	1.6
55.05504	2.0
56.05032	0.3
56.05847	0.3
57.03418	0.7
57.07070	1.4
58.36838	0.3
59.14903	0.2
67.05499	1.6
68.99773	0.3
69.03407	0.4
69.07062	3.9
69.72092	1.0
69.72506	0.6
70.06590	2.9
71.04969	0.3
71.08625	0.3
73.02914	4.2
73.06548	1.8
79.05484	1.1
80.05024	0.3
81.03396	0.4
81.07043	1.4
83.04977	0.3
83.08611	0.3
84.04501	8.8
85.02902	1.2
86.09701	0.3
87.00816	0.6
87.04436	0.9
88.07622	3.1
91.05471	1.5
93.07044	1.5
95.04950	0.6
95.08575	1.2
97.02893	0.4
97.06520	0.4
98.06065	0.4
98.20816	0.3
103.03912	0.9
105.07021	1.0
106.07398	0.3
106.08681	0.4
107.04948	0.8
107.08590	0.8
109.02885	0.3
109.06501	0.6
109.10168	0.4
114.09155	1.0
117.06979	0.7
118.06535	13.1
118.08656	0.5
119.08553	1.1
121.06487	0.5
121.10156	0.7
123.08092	0.4
123.11734	0.3
126.05513	1.8
129.01831	0.5
129.06952	0.3
131.07257	0.3
131.08571	0.4
132.08072	5.4
132.10194	3.0
133.08862	2.1
133.10040	0.5
134.09618	0.8
135.08011	1.0
135.11717	0.5
143.08546	0.4
145.06456	0.3
145.10109	0.6
146.09642	4.2
147.08023	0.5
149.09564	0.3
150.11243	2.6
151.62215	0.3
154.19612	0.3
159.11696	0.4
160.11244	0.5
168.06526	0.4
176.14339	49.4
177.14667	1.1
189.12633	0.3
202.15901	1.3
203.18010	0.3
204.08575	0.3
204.17416	1.6
232.13312	1.0
244.21341	0.4
246.14905	1.3
246.24300	0.8
260.16644	0.8
271.19839	0.3
273.18445	0.9
290.21136	100.0
290.26346	13.9
291.21857	3.1
291.26868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03951	3.4
55.05513	22.7
56.96555	3.3
57.03416	3.6
57.07066	6.3
59.04989	7.8
60.11817	2.0
65.03951	2.2
67.05494	29.0
69.03409	4.3
69.07064	100.0
71.04999	2.4
71.56880	2.2
79.05484	23.3
81.07054	85.4
83.04975	4.6
83.08624	15.4
84.04501	5.7
85.06503	2.0
91.05471	24.5
93.07035	50.8
95.04958	9.7
95.08600	45.3
97.06522	8.0
97.10143	5.6
105.07021	29.1
107.04933	3.4
107.08589	49.1
109.06503	9.4
109.10152	31.0
111.08057	2.9
111.11716	20.5
117.06993	7.0
119.08566	38.6
121.06489	5.7
121.10136	31.6
123.08051	2.5
123.11711	20.0
125.09630	3.4
126.05548	2.7
129.06967	2.0
131.04987	2.0
131.08572	9.5
133.10123	17.3
135.04398	6.7
135.08049	4.5
135.11685	48.4
137.09528	2.2
137.13249	7.1
139.11182	11.7
145.06479	4.0
145.10081	13.1
147.11667	11.7
149.13249	20.4
151.03873	2.6
151.11163	2.2
151.14693	2.4
152.67758	2.0
153.12753	2.4
157.10127	2.7
159.08025	6.5
159.11687	18.0
161.09666	4.0
161.13254	9.3
163.11185	3.2
163.14796	7.7
165.12682	2.7
171.11749	2.5
171.15279	2.7
173.09660	2.8
173.13243	7.1
175.14844	6.6
177.16365	4.4
187.14844	6.3
189.16412	5.9
191.17889	2.6
201.16339	4.1
203.17941	3.5
215.17906	7.2
219.17542	2.1
231.13760	5.1
231.21255	2.1
253.15839	2.4
271.16879	3.2
271.24188	13.5
289.06168	2.7
289.18073	24.6
289.21161	3.1
289.21777	3.6
289.25214	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03932	3.2
55.01842	2.3
55.05266	2.3
55.05507	30.9
56.96549	2.6
57.03427	1.8
57.07071	22.1
65.03928	2.2
67.05499	36.3
69.03410	3.3
69.07059	46.3
69.24783	21.3
69.25198	4.5
71.04990	4.6
71.08640	14.3
75.38422	2.2
79.05488	26.9
81.03397	5.7
81.07055	92.8
83.04959	4.3
83.08617	16.9
84.04488	26.6
85.02905	4.9
85.06556	3.3
85.10191	3.2
91.05472	27.7
93.06474	3.4
93.07037	54.2
93.07626	3.0
95.04975	16.7
95.08603	84.7
97.06526	10.8
97.10170	12.4
99.08072	3.1
103.03915	4.8
105.07018	50.7
107.04957	4.2
107.08590	51.3
109.06504	11.9
109.09462	3.6
109.10153	46.8
109.27504	2.0
111.08062	5.5
111.11710	4.4
117.06998	10.2
119.08574	41.3
121.06527	14.6
121.09316	3.1
121.10134	35.8
123.04440	5.1
123.08051	6.2
123.11690	20.4
125.09620	3.9
126.05497	8.7
126.42555	2.3
127.03894	3.0
129.01839	2.4
129.06992	3.3
130.07799	2.7
131.08556	22.0
133.10144	25.4
135.04391	3.7
135.08041	15.7
135.11691	28.7
136.08774	2.9
137.05946	2.6
137.09587	9.4
137.13242	6.5
139.11172	2.0
144.09378	3.3
145.04855	2.0
145.10101	30.7
147.11681	18.6
149.09564	6.2
149.13268	22.7
151.07594	2.0
151.11191	3.9
151.14775	3.3
157.10138	4.1
159.08104	2.1
159.11685	27.6
161.09561	2.1
161.13242	19.8
163.03967	2.3
163.11156	4.9
163.14766	12.8
163.37888	1.8
165.12766	2.3
167.14233	2.0
171.11703	3.2
173.13242	11.8
175.14818	8.9
177.12743	7.1
177.16377	6.2
179.14267	2.8
179.17976	2.5
185.13269	1.9
187.14775	10.0
189.16428	10.9
191.17822	2.7
201.16386	7.5
203.18001	3.3
205.19513	3.5
215.17949	12.7
229.19489	4.5
231.21007	6.5
233.19044	4.2
245.22606	7.8
247.24301	2.4
259.24326	2.4
261.25830	3.9
271.24185	36.4
289.06024	11.4
289.11237	2.1
289.14978	2.9
289.18109	8.8
289.25223	100.0
290.08795	2.1
290.25635	3.0
310.24979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
50.78814	3.5
51.23956	3.2
55.05514	20.8
57.07052	8.4
65.41265	3.4
67.05500	22.0
69.03423	3.6
69.07063	48.5
69.37280	36.3
79.05476	14.4
80.26472	3.1
81.07050	35.4
83.04977	25.1
83.08599	8.0
85.06555	5.4
91.05482	35.7
93.07037	34.4
95.04951	11.4
95.08606	41.5
97.06521	9.7
105.07029	41.8
107.08572	25.2
109.06519	7.7
109.10168	20.2
117.07014	10.7
119.08573	54.3
121.10131	13.0
122.68800	3.6
123.08038	4.4
123.11694	30.4
129.06982	5.8
131.08578	23.8
132.44843	3.8
133.10129	42.2
135.11658	8.1
143.08517	12.4
144.09332	5.3
145.10107	42.9
147.08044	3.9
147.11664	21.5
155.08542	4.2
156.09259	3.8
157.10109	13.4
158.10912	5.1
159.11697	27.2
160.12427	4.0
161.09656	5.9
161.13257	28.6
165.09071	5.9
167.44788	3.3
168.96547	3.9
169.10011	3.5
170.10970	4.1
171.11696	13.8
173.09586	3.8
173.13310	22.4
175.11206	4.8
175.14813	60.4
176.15524	4.8
177.16374	7.4
185.13174	5.1
187.11128	6.5
187.14775	14.4
189.12747	8.4
189.16353	4.6
197.13211	5.5
199.14790	4.0
201.12740	6.5
201.16386	15.0
203.14380	3.9
211.81801	3.5
213.16292	7.5
215.17903	16.4
218.67270	3.5
227.17844	7.0
233.15361	5.7
243.20970	19.2
253.19620	3.9
268.23416	3.4
271.20578	22.1
281.48801	3.9
289.18057	11.2
289.21570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.05511	23.8
60.22291	1.8
61.62619	1.9
67.05502	20.5
67.77977	1.8
69.07077	17.8
79.05498	20.8
81.07048	30.6
83.04962	2.4
83.08634	9.9
85.06528	2.7
88.82259	2.1
91.05479	57.3
93.07037	24.0
95.04951	4.3
95.08594	16.3
97.10155	7.8
102.02487	2.5
105.07033	94.2
107.08591	12.9
108.41936	1.7
109.10146	9.0
110.64519	1.9
113.03539	2.6
117.07037	17.3
119.08573	51.8
121.10133	5.4
123.11739	3.0
125.09657	4.7
129.06992	3.5
131.08554	22.7
133.10127	61.1
135.08008	3.7
135.11642	5.6
139.03714	2.6
143.08548	4.5
145.10112	39.7
147.11693	48.6
149.09673	3.4
149.13240	2.3
154.65576	2.4
155.08568	4.4
157.10141	4.5
159.08165	2.2
159.11705	16.4
161.09537	2.8
161.13234	11.1
163.11157	2.6
169.10141	2.8
171.11702	9.5
173.13226	11.7
175.11270	2.6
175.14828	3.3
183.11736	7.5
186.99432	2.2
213.16269	2.7
215.14241	2.9
215.17932	3.6
223.16887	2.2
239.17976	10.3
257.18991	29.6
269.91553	2.0
284.78360	1.9
289.21628	100.0
289.24994	5.8
290.21936	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03938	2.5
55.01860	1.7
55.05270	1.7
55.05511	20.2
59.04988	1.7
60.32145	1.1
62.22144	1.2
67.05501	24.6
69.07070	16.1
71.57810	1.1
73.06560	2.5
74.61732	1.3
79.05492	21.6
81.07049	25.1
83.04971	2.6
83.08617	8.2
85.06533	4.5
91.05476	58.6
93.07035	24.8
95.04955	3.5
95.08601	16.6
96.77891	1.2
97.06502	2.3
97.10168	1.9
103.05489	3.2
105.07024	83.8
106.07259	1.4
107.08571	11.0
109.10143	8.0
115.05430	2.8
115.07549	1.4
117.07011	17.2
118.07860	1.2
119.08575	60.0
120.08932	1.5
121.06516	2.2
121.10123	8.3
123.08041	1.8
123.11684	1.5
129.06989	5.3
131.08562	21.0
132.09245	1.6
133.03368	1.3
133.10123	51.3
135.08046	2.9
135.11670	2.9
141.06958	2.3
142.07722	1.2
143.08574	3.7
145.10112	23.7
147.08125	1.2
147.11676	28.6
149.09639	1.9
149.13200	1.5
155.08548	4.2
157.10133	4.6
159.11696	19.9
161.09644	2.2
161.13258	17.2
163.11177	1.9
168.09348	1.7
169.10130	5.4
171.11691	5.4
173.09468	1.4
173.13240	16.1
175.11169	2.8
175.14799	1.5
183.11691	3.4
185.13315	2.5
187.11108	2.2
187.14873	1.8
197.13251	3.6
201.12743	2.0
209.50978	1.4
211.14900	2.2
213.16359	1.5
215.14323	1.4
215.17966	3.6
224.71188	1.3
229.15840	1.6
229.19382	2.0
233.75702	1.1
239.17976	7.0
257.18982	11.9
282.90588	1.3
289.21603	100.0
290.21957	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	289.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32595	1.0
56.05031	16.6
56.46712	0.9
56.48558	1.0
58.04068	2.2
60.04517	5.1
60.05615	0.9
69.04549	32.2
69.07041	0.9
70.06570	2.1
70.69365	1.8
70.69669	1.6
71.04986	23.4
72.04504	5.5
72.08131	3.9
74.02441	9.0
74.06075	9.2
76.04012	1.1
76.05107	1.4
79.05486	2.4
81.07026	1.6
84.04485	2.3
84.08124	1.2
86.03522	1.7
86.06039	3.2
88.07091	1.6
88.07624	29.6
96.05611	35.6
96.08118	2.9
98.07148	2.0
98.09689	5.4
98.97564	1.1
99.07951	5.5
102.05529	12.0
102.06602	1.3
108.73658	0.9
110.07146	3.9
113.09614	6.6
114.09138	3.4
116.08212	10.1
118.04983	2.8
120.06595	1.5
123.04429	3.1
126.10230	1.3
127.03921	2.5
128.08182	18.1
131.95512	1.1
135.04417	2.1
135.07579	1.2
138.10254	9.5
139.03885	3.4
139.10989	1.5
140.11829	8.1
142.09724	2.8
152.62222	1.2
153.01820	1.6
156.11311	98.2
157.11646	1.4
172.09746	2.5
172.12148	1.0
188.13934	18.5
189.12337	2.2
212.13919	3.2
213.17091	2.6
215.13994	1.3
239.15207	1.4
240.13387	8.2
244.16617	3.1
257.16061	100.0
258.16492	2.5
289.06192	1.5
289.18677	86.4
290.19006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22504	0.7
56.05033	10.5
57.91195	0.8
58.04045	1.5
60.04483	2.7
60.05600	2.1
63.93405	0.7
64.49384	0.7
67.49079	0.7
69.04553	25.4
69.07008	0.9
70.06552	1.4
70.20686	0.7
70.22776	0.7
70.62671	1.4
70.63055	2.1
71.04993	12.0
72.04520	4.7
72.08092	2.4
73.09818	0.8
74.02447	6.7
74.06087	7.4
76.05082	0.8
81.07006	1.8
84.04479	1.2
84.04968	0.7
86.03519	1.5
86.06026	1.8
88.07628	23.1
95.66485	0.7
96.05614	30.5
96.08076	1.4
98.09699	5.4
99.07919	2.4
102.04967	0.7
102.05546	7.9
110.07117	2.8
113.09580	2.6
114.06657	0.8
114.09110	3.3
116.08196	6.9
118.04995	1.6
120.06544	1.3
123.04398	1.6
127.03864	1.7
128.08202	6.7
135.07649	0.8
138.10240	7.0
138.12697	0.9
139.11043	1.1
139.51520	0.7
140.11827	4.6
142.09691	2.2
149.39819	0.8
156.11324	78.0
157.11617	1.3
160.07140	0.8
170.12816	1.0
172.09656	1.4
188.13925	11.0
189.12355	1.1
212.13930	2.6
213.17067	1.8
239.14999	0.8
240.13487	5.0
244.16579	1.6
257.16080	100.0
258.16391	1.9
289.18686	32.0
306.84296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36232	1.4
53.03932	2.6
55.01860	1.7
55.05505	19.9
59.04992	2.3
65.03934	2.7
67.05499	24.4
69.06711	2.5
69.07063	21.9
70.22398	1.3
71.04990	1.5
73.06548	3.4
74.88036	1.6
79.05486	23.0
81.07047	40.7
83.04964	1.5
83.08618	8.6
85.06524	5.2
91.05476	65.4
93.07037	28.0
95.04956	3.4
95.08597	22.6
97.06527	3.7
97.10178	4.1
103.05466	4.0
105.07021	96.1
107.08581	16.7
109.06527	4.0
109.10146	10.9
111.08096	2.1
115.05464	1.9
117.07022	15.9
119.08571	65.8
119.37013	1.4
121.10125	8.4
123.08054	2.7
123.11682	3.5
129.07005	5.8
131.08546	27.8
132.09312	2.0
133.09114	2.8
133.10123	55.0
135.08057	2.5
135.11676	6.2
143.08597	7.4
145.10100	27.0
147.11685	36.6
149.09647	2.0
149.13266	3.1
155.08560	3.6
157.10104	7.2
159.11674	19.0
161.09688	2.3
161.13251	16.2
168.75815	1.7
169.10147	4.0
171.11676	4.6
173.09526	2.1
173.13249	21.2
175.11145	2.7
175.14851	3.9
177.50735	1.7
183.11719	6.3
187.14821	1.7
189.12633	2.3
197.13306	3.6
201.12738	4.0
213.16362	3.7
215.14291	2.3
215.17863	3.9
239.17940	6.8
257.18942	17.7
271.24136	2.0
289.06104	2.1
289.18506	4.1
289.21609	100.0
289.24936	3.6
290.21927	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05718	0.9
56.05033	11.6
58.04059	1.9
60.04517	2.3
60.05647	1.7
62.81947	1.1
68.05022	1.1
68.84309	1.1
69.04544	29.1
70.06570	1.4
70.81414	3.3
71.04980	13.1
72.04508	5.0
72.08135	3.0
74.02436	7.6
74.06069	9.6
78.08015	1.2
81.07061	1.3
84.04488	1.1
86.06040	1.6
88.07626	27.7
92.32543	1.1
96.05608	32.4
96.08107	2.6
98.09683	7.2
99.07971	2.8
102.05530	8.9
110.07159	3.8
113.09621	2.9
114.09129	3.1
116.08227	7.3
118.04977	1.4
120.06539	1.6
123.04400	4.1
126.10208	1.0
127.03914	2.6
128.08185	9.7
135.04222	1.0
138.10265	8.1
139.11049	1.2
140.11797	5.8
156.11310	92.8
157.11591	1.3
163.03940	1.1
170.91197	1.1
172.09642	3.0
188.13960	11.2
189.12280	2.0
212.13934	3.5
213.17119	1.8
216.29922	1.1
239.15047	1.3
240.13367	5.4
244.16597	1.3
257.16058	100.0
258.16370	1.6
289.07053	1.3
289.18655	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	289.1796
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01866	8.9
55.05509	64.5
57.03426	19.8
57.07069	3.9
67.05502	29.5
69.07068	15.7
69.82187	14.4
70.06590	7.3
71.04998	3.8
76.85838	2.7
79.05489	38.0
81.03441	2.8
81.07058	35.9
83.04967	5.0
83.08612	19.0
84.04497	9.4
86.23543	2.4
88.07625	10.4
89.07960	6.6
91.05484	28.9
93.07035	23.3
95.04993	7.2
95.08606	12.3
97.10163	30.1
105.07011	20.9
106.08677	14.6
107.04941	4.1
107.08529	23.9
109.06478	3.1
109.10143	10.6
111.08004	3.8
115.05463	25.4
117.07014	100.0
119.08579	26.4
121.06525	6.5
121.10125	3.9
123.08055	3.4
123.11714	3.3
125.09634	19.4
126.05550	3.2
128.06201	6.6
129.07001	10.7
131.08571	19.0
133.10127	10.4
135.08060	12.3
141.07030	3.4
142.07816	4.0
143.08621	17.4
145.06485	88.9
145.10118	9.4
147.08040	6.4
147.11682	4.8
147.48029	3.1
149.09592	3.3
149.13217	3.3
155.08542	6.1
157.10149	14.9
159.08044	8.7
159.11681	7.4
161.09596	4.0
169.10136	7.0
171.11633	4.7
173.09698	5.0
173.13200	2.7
177.12657	3.5
183.11729	7.1
187.14742	4.4
189.11253	8.7
197.13268	4.1
211.14737	3.0
215.14294	23.5
219.11800	3.1
225.16397	13.4
228.20540	4.8
233.15340	4.1
235.14804	4.6
243.17448	10.9
251.58757	2.8
252.01709	3.1
253.15915	9.2
271.16916	95.1
271.24594	3.4
289.02811	2.7
289.17859	19.3
289.21667	3.9
289.25427	5.1
289.29391	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88340	1.7
53.03926	1.9
55.05500	4.7
56.05029	3.8
56.96551	3.9
57.03432	3.9
59.04984	3.9
60.04513	1.5
60.05646	2.3
61.02927	10.1
62.26109	1.7
64.99686	1.9
67.05496	2.1
68.05013	4.9
69.03419	3.3
69.04559	3.5
70.06594	8.0
71.04996	14.5
71.06909	1.6
71.56312	2.8
72.08150	5.3
74.06079	4.2
78.25909	2.0
79.05474	7.1
81.03419	2.1
81.04527	17.3
81.07052	26.7
82.05312	5.2
82.76913	1.4
83.06078	2.8
83.90663	1.7
84.04494	6.0
84.08137	4.8
85.02895	4.4
86.09707	8.7
87.08106	2.0
87.10018	2.7
88.07648	1.9
95.05062	1.4
95.06083	26.8
96.05619	3.7
97.02864	1.9
98.97591	2.9
102.05520	1.6
107.04927	1.7
109.02840	2.7
111.05562	65.4
112.07561	1.9
116.07141	2.1
116.98615	3.5
121.26627	1.5
123.04609	2.6
123.05553	60.9
127.03919	44.4
134.99699	1.7
135.04427	3.4
139.03915	15.7
141.06584	100.0
150.99156	1.8
156.11316	5.2
158.61388	1.8
163.03831	2.0
163.12250	6.3
166.74863	1.8
173.12950	3.0
175.11961	2.4
177.00684	1.7
187.14432	3.2
191.11766	3.2
209.12813	7.1
221.12816	20.3
239.13872	32.2
241.15459	12.2
253.15634	3.4
257.16046	11.7
267.00217	1.8
271.16528	72.6
272.16791	2.1
289.12662	12.1
289.17578	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	289.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25359	0.5
52.03782	0.5
52.91475	0.6
53.03947	0.7
55.01889	0.5
55.05507	3.8
56.05040	0.7
57.03420	1.8
57.07063	1.2
61.02924	0.6
67.05507	4.5
68.99796	0.8
69.03413	0.7
69.07072	3.1
70.13593	2.6
71.08623	0.5
79.05495	4.1
80.04990	0.8
80.93922	0.5
81.03399	0.9
81.07055	8.3
83.08629	2.1
84.04499	20.1
85.02441	0.6
85.02892	2.8
87.00840	1.4
91.05476	9.1
91.57544	0.6
93.07037	4.8
94.06598	1.3
95.04966	2.2
95.08601	6.9
96.08143	2.7
97.02876	0.8
97.06522	0.6
97.10159	1.0
98.06019	0.6
98.21393	0.7
99.04480	1.0
103.03951	3.4
103.05461	5.3
104.04988	1.3
105.07021	4.1
105.43431	0.6
106.06555	2.1
107.04919	1.0
107.08597	5.0
108.04485	0.8
108.08092	1.1
109.02890	0.6
109.06542	1.7
109.10140	7.0
110.06061	0.8
110.37666	0.5
115.05370	0.5
116.04995	1.7
117.05757	2.4
118.06539	6.4
119.01921	1.9
119.07298	0.7
119.08582	4.4
120.08106	14.6
121.06509	1.3
121.10153	3.5
121.78039	0.5
122.09663	1.5
123.04437	2.2
123.11705	2.4
124.07581	11.6
126.05517	5.6
126.09162	1.4
127.03905	1.8
129.01794	0.7
129.07016	0.8
131.04935	10.1
131.08560	1.8
133.10121	3.6
134.06015	6.3
135.04404	3.1
135.08049	1.4
135.11694	2.8
136.07579	8.6
137.05978	0.9
137.13329	0.6
138.05496	2.3
142.46451	0.6
145.06499	0.6
145.10127	1.2
146.05984	4.8
147.02878	1.0
147.06787	2.0
147.08008	0.9
147.11668	1.2
148.07568	11.2
149.09523	0.8
149.13255	2.1
150.09157	1.2
152.07065	1.0
157.06502	0.7
159.04408	0.9
159.08026	2.4
159.11707	1.8
161.05951	3.8
161.09645	0.6
161.13219	1.3
163.14793	1.0
164.07062	100.0
165.07581	1.3
166.08633	3.9
167.06973	3.1
168.06575	2.3
173.13232	1.5
175.14842	0.9
187.00761	0.9
187.07523	1.5
189.03886	1.3
189.16487	0.7
198.09123	0.7
198.94798	0.5
202.12375	0.8
215.15424	2.2
215.17807	0.5
216.10204	1.9
229.13412	1.5
231.21040	0.6
242.10440	0.6
243.14978	5.7
243.17317	0.9
245.16454	2.2
253.13484	1.3
254.11815	1.3
271.14392	21.1
271.16760	0.9
271.24139	2.4
272.14731	0.9
289.15421	56.5
289.17981	3.5
289.25113	5.3
290.08749	1.7
290.15759	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1545
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.63285	0.4
55.05496	1.2
57.03420	0.5
57.07065	0.4
65.03953	0.6
67.05489	1.3
69.07052	1.3
70.62829	1.1
79.05484	2.1
80.04999	0.4
81.05775	0.8
81.07050	2.4
83.08607	0.6
91.05468	6.0
91.50117	0.3
93.07013	2.0
94.06543	1.3
95.04953	1.0
95.08585	1.5
96.08116	2.4
103.05460	0.6
104.04964	0.6
105.07007	1.9
106.06522	1.9
107.04943	0.4
107.08556	1.1
108.08102	0.9
109.06484	0.5
109.10148	0.7
109.60618	0.3
110.06037	0.5
116.04980	1.3
117.05770	2.1
117.07014	0.5
118.06533	6.9
119.07333	0.9
119.08573	2.1
120.08096	12.5
121.06481	0.5
121.08405	0.3
121.10122	0.8
122.09650	0.8
123.04398	0.4
123.11720	0.4
124.07580	10.2
126.09137	1.2
131.08498	0.4
133.05205	0.4
133.10114	0.7
134.06013	5.8
135.08041	0.9
135.11674	0.6
136.07571	7.2
138.05522	2.3
138.09157	0.6
139.03825	0.3
143.08559	0.6
145.10107	1.1
146.05980	4.8
147.06770	2.4
147.07965	0.6
147.11688	0.8
148.07567	10.4
149.07976	0.3
149.13225	0.5
150.09134	0.7
152.07039	1.3
159.08041	1.3
159.11664	0.7
161.13248	0.5
164.07051	100.0
165.07462	2.2
166.08607	3.9
174.12706	0.4
182.09566	0.4
187.14908	0.5
200.10707	0.9
214.10970	0.7
215.15581	1.7
215.18044	0.3
216.10139	2.3
225.13939	0.4
226.12222	0.5
228.10167	0.7
229.13322	1.3
233.18697	0.3
234.19884	0.3
243.14906	4.3
245.16475	2.1
253.13403	1.4
254.11655	0.8
271.14395	19.2
271.24078	0.5
272.14804	0.5
289.15433	62.7
289.25122	1.2
290.15723	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.47552	0.2
55.01861	0.5
55.05510	2.6
57.03423	0.3
57.07064	0.8
65.03941	0.3
67.05507	3.7
68.99791	0.4
69.03384	0.3
69.07068	3.8
70.70863	1.0
71.04990	0.7
79.05478	2.9
81.03416	0.4
81.06580	0.7
81.07055	10.5
83.04988	0.8
83.08610	1.6
85.02887	0.5
85.06563	0.4
91.05477	1.9
93.07040	4.8
95.04953	1.5
95.08604	9.0
97.06523	0.5
97.10149	0.8
99.04469	1.9
105.07031	3.5
107.04946	0.4
107.08587	5.6
109.02817	0.3
109.06530	1.6
109.10159	5.1
111.08058	0.6
111.11691	0.3
117.06950	0.4
118.04162	2.0
119.08568	3.3
121.06503	1.1
121.10143	3.8
123.04447	0.5
123.08041	0.6
123.11701	2.5
123.31429	0.3
125.09645	0.4
127.03896	1.6
127.11158	0.4
131.04907	0.4
131.08549	1.1
133.06482	0.7
133.10112	2.0
135.08017	1.0
135.11687	3.2
137.05986	3.7
137.09596	0.4
137.13269	0.7
139.03830	0.4
139.11150	0.6
144.05722	0.4
145.10138	1.4
146.03615	4.2
147.11624	1.5
149.05972	1.3
149.13257	2.3
157.10191	0.4
159.08002	0.7
159.11688	1.8
161.05972	100.0
161.13222	1.7
162.06305	2.1
163.07507	1.4
163.11185	0.4
163.14825	2.1
165.12808	0.5
173.09734	0.4
173.13272	1.1
174.06789	0.8
175.14803	1.3
177.16373	0.4
187.07541	3.6
187.14867	0.6
189.05415	0.3
189.16426	1.0
191.18111	0.4
201.09088	0.7
201.16344	0.7
203.18021	0.5
211.07594	0.5
215.10707	0.7
215.17990	1.0
225.09116	0.5
229.08614	0.8
243.10179	1.0
271.09637	5.9
271.24252	2.3
289.10764	4.2
289.17838	1.7
289.25217	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05506	1.6
56.05023	1.7
56.96553	3.4
57.03431	2.2
60.05634	1.5
61.02924	2.3
67.05495	2.1
69.03422	4.4
69.04553	1.4
70.06596	4.6
70.41203	2.6
71.04987	3.9
71.06924	1.2
72.08131	2.6
74.06082	1.7
74.77364	0.9
76.05098	0.9
76.44499	1.1
79.05490	1.8
81.03374	1.9
81.04518	3.0
81.07053	6.1
82.05320	1.6
83.06119	1.2
84.04475	2.1
84.08116	2.3
85.02894	6.1
85.06538	2.4
86.09695	3.9
88.07614	2.1
95.06106	6.1
97.02866	2.7
98.98409	1.3
107.04944	1.2
109.02890	1.5
109.06492	1.1
111.04455	2.4
111.05551	14.3
112.79177	1.1
116.98620	1.1
122.55918	0.9
123.04433	5.7
123.05544	13.0
127.03908	100.0
128.04274	1.6
134.99602	1.5
135.04401	9.8
135.90060	1.0
139.03908	8.3
141.06570	19.7
141.10237	1.6
151.03944	2.4
156.11325	3.0
159.07957	1.1
163.03925	3.5
167.86194	1.1
209.12782	1.4
221.12845	3.3
239.13843	5.8
241.15459	2.6
243.13455	0.9
257.16052	4.9
271.16501	15.8
289.06985	1.4
289.12421	4.4
289.17746	3.8
289.20670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.00296	0.4
53.03931	0.7
55.01870	0.7
56.96551	0.7
57.03419	0.6
60.04507	0.3
61.02911	0.7
64.35758	0.3
65.03929	1.3
67.05496	0.4
68.99773	0.6
69.03417	1.6
70.01472	1.1
70.01876	0.4
70.06595	0.8
71.04970	0.4
73.02890	0.5
79.05488	0.4
81.03404	1.3
82.61166	0.3
83.01340	0.4
84.08143	0.4
85.02905	4.5
86.09686	0.4
88.07638	0.5
89.03908	0.8
93.03384	0.5
95.04967	0.7
97.02876	1.1
107.04943	0.9
109.02854	1.4
111.00811	0.6
111.04436	3.1
117.03368	0.6
121.02843	0.4
123.04425	6.5
127.03908	100.0
128.04254	1.4
130.06555	0.3
131.04926	0.8
135.04408	14.5
136.04697	0.5
139.03894	16.6
145.04929	0.4
147.04353	0.3
149.02345	1.1
149.06007	0.3
151.03899	3.0
156.11279	0.5
157.06522	0.3
161.01257	0.3
163.03905	4.8
169.06476	0.4
177.05437	0.4
179.03452	0.6
192.09229	0.3
197.05870	0.4
205.04956	0.6
243.06453	0.4
244.78174	0.3
257.16031	0.5
259.05951	0.6
261.07556	0.9
271.06049	1.2
285.01266	0.4
289.06943	1.8
289.12497	1.0
305.09595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.01863	0.5
55.05497	0.6
65.03922	0.6
67.01862	3.8
67.05481	1.1
68.99778	2.6
69.03428	2.5
69.07049	1.5
69.49348	4.2
70.28528	0.5
79.05469	1.9
81.07069	2.6
83.08636	0.7
89.03914	6.8
91.05460	0.9
93.03416	0.9
93.07026	1.8
95.04911	0.8
95.08577	2.5
97.02901	0.9
98.20750	1.0
105.07000	1.4
107.04944	2.2
107.08545	1.6
109.10123	1.6
111.00762	3.2
111.04438	2.0
117.03367	7.5
119.08570	1.4
121.02842	0.5
121.10146	1.0
123.04436	4.4
123.11674	1.0
127.03893	0.8
131.04848	0.5
133.10133	0.9
135.03392	1.1
135.04404	16.5
135.11676	1.5
137.05913	0.6
137.13200	0.5
139.03889	1.5
145.01765	0.8
145.02843	11.5
145.03978	0.8
145.10086	0.7
149.13199	0.8
151.03897	1.6
153.01817	100.0
154.02217	1.1
159.04457	1.2
161.05971	1.1
161.13208	0.8
163.03891	64.9
163.14709	0.7
164.04289	1.0
164.07065	1.4
171.02887	6.8
179.03368	5.5
187.03906	1.9
205.04970	1.5
247.06119	0.6
253.04967	0.9
271.06143	2.3
271.24454	0.7
289.07047	70.8
289.25247	2.1
290.07355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03920	1.7
55.01854	1.4
55.05491	1.8
56.05045	1.8
56.96551	4.2
57.03427	1.5
60.04517	1.1
61.01139	1.1
62.09623	0.8
63.00017	0.8
65.03928	3.1
67.01861	9.0
67.05486	1.3
68.07008	0.8
68.99777	7.4
69.03419	3.2
69.07063	1.7
69.45028	0.9
69.45318	2.5
69.45731	4.6
70.06575	2.9
70.76737	0.9
72.08139	4.1
73.02920	0.9
74.06081	1.1
75.16742	0.9
79.05493	5.0
81.03394	2.2
81.07055	2.4
83.01331	1.4
83.05001	1.0
84.04490	3.4
84.08137	7.2
85.02892	3.1
86.06094	0.9
86.09702	2.1
88.07607	1.2
91.05470	4.0
93.07046	2.2
95.01294	0.9
95.04950	5.1
95.08566	1.1
97.02901	3.5
97.06514	1.2
98.97584	2.5
99.04426	1.1
103.03922	2.8
103.05454	1.2
105.06992	1.3
107.04947	77.2
107.08561	1.2
109.06530	1.0
109.10169	1.5
111.00823	1.5
111.04430	7.0
112.02204	1.3
115.81210	0.8
116.98609	2.5
117.06961	2.0
119.04929	3.6
119.08564	1.5
121.02858	16.3
123.04424	8.6
127.03913	19.3
127.71783	0.8
129.01877	1.2
129.10201	1.4
130.05006	1.6
130.06570	0.9
131.04874	2.2
131.08559	1.3
132.08417	5.9
134.99654	2.4
135.04399	15.6
136.07549	2.2
137.02376	2.1
137.05948	1.3
139.03883	9.2
141.06960	5.0
145.06503	1.6
145.10196	0.9
147.04419	2.2
147.08035	1.9
148.06049	2.7
149.02333	73.4
151.03876	1.7
153.01814	100.0
154.02159	2.0
156.11377	2.5
159.04407	1.3
159.08112	1.1
163.03941	4.5
165.01801	1.1
167.03391	12.7
168.63194	1.0
169.06517	7.1
171.02875	36.2
173.05962	1.1
186.99028	5.3
187.03845	1.0
187.07576	1.5
191.02248	1.2
191.06653	2.1
195.02882	7.8
197.05954	8.1
200.04712	1.0
201.05449	1.2
203.06969	1.0
205.00211	2.4
213.24048	1.1
215.07011	58.7
216.07343	0.9
219.01793	2.7
242.05785	2.2
243.06502	48.5
245.11298	1.5
257.16101	2.1
271.06000	14.1
271.10751	1.3
271.14285	1.6
289.06198	19.9
289.11572	2.2
289.15524	1.5
289.18515	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	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01864	1.7
65.03941	1.7
67.01872	1.7
68.99794	4.7
70.40803	4.4
72.08140	1.7
81.03416	1.3
81.07081	1.5
81.80600	1.1
84.04498	2.7
85.02904	2.4
85.31780	1.0
91.05489	6.3
103.03942	1.8
105.06970	1.2
107.04953	32.9
111.04442	4.2
112.02218	1.2
116.98639	1.6
117.07016	1.3
119.04968	3.7
121.02876	12.5
122.03889	1.1
123.04427	3.1
127.03928	3.4
129.06996	1.4
131.04948	2.2
134.99730	1.3
135.04410	5.5
139.03911	2.8
141.06976	4.3
145.02808	1.3
145.06506	2.0
147.04420	2.5
147.08061	2.9
148.06013	2.6
149.02338	78.4
153.01820	28.0
153.03004	2.1
155.02246	1.3
159.08011	1.5
163.03926	1.7
165.01912	1.1
167.03409	3.0
169.06490	6.8
171.02901	4.6
173.05910	1.5
187.03865	1.1
187.07590	2.7
195.03017	1.9
197.05983	11.6
201.05585	1.3
205.00278	1.4
215.07025	85.0
218.27481	1.2
219.01790	2.2
243.06517	100.0
244.06868	1.4
253.04926	2.3
271.06006	35.9
289.06134	8.6
289.18726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.01863	0.8
55.05519	3.1
56.00891	0.7
57.03425	0.8
57.07062	1.6
59.13266	0.6
65.03927	1.4
67.01848	3.1
67.05502	5.2
68.99780	3.1
69.03422	3.3
69.07072	6.0
69.77011	0.7
70.85609	0.7
70.85944	1.4
79.05489	5.9
81.03426	0.9
81.07048	8.2
83.04980	0.7
83.08591	2.3
89.03912	8.0
91.05463	4.5
93.07031	6.6
95.04942	2.9
95.08601	8.7
97.02875	1.0
97.06488	1.5
97.10149	1.1
98.97501	0.9
103.05446	1.3
105.07027	5.3
107.04940	2.9
107.08601	5.8
109.06505	2.0
109.10162	4.9
111.00781	2.9
111.04454	3.1
111.08118	0.7
113.95240	0.6
117.03367	8.1
117.06980	1.7
119.08562	4.1
121.06488	3.3
121.10130	4.4
123.04420	6.3
123.08034	0.7
123.11671	2.0
125.02402	0.8
131.08565	1.8
133.10104	3.3
135.03387	1.3
135.04413	18.3
135.08047	1.4
135.11694	3.9
137.05946	6.9
137.09560	1.0
139.03889	2.4
145.02837	12.1
145.03847	0.5
145.06534	0.7
145.10104	2.3
147.04382	0.7
147.11693	1.9
149.05992	1.6
149.13252	3.0
151.03838	0.8
151.11169	0.8
153.01820	100.0
159.04433	1.4
159.08032	1.3
159.11725	3.6
161.05975	1.1
161.13232	2.1
163.03897	65.7
163.07532	4.7
163.14822	1.5
164.04262	0.7
167.07057	1.2
171.02898	5.9
173.13234	1.6
175.14807	1.2
177.12733	0.8
177.16469	0.8
179.03400	6.7
187.03903	2.8
187.14816	0.8
189.16397	1.2
189.52002	0.7
201.16446	0.7
205.04916	1.5
215.17952	1.3
223.06006	0.8
243.06613	1.8
271.06119	2.0
271.09677	1.1
271.14279	0.8
271.24203	3.7
289.07062	69.4
289.14374	1.7
289.18097	3.0
289.25217	9.8
290.07370	0.8
301.02646	0.8
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
53.00286	0.4
53.03939	0.8
55.01863	0.9
55.05525	0.3
56.05023	0.3
56.96558	0.9
57.03421	0.6
59.26627	0.3
61.02918	0.7
65.03940	3.4
67.05511	0.7
68.99783	1.7
69.03419	1.5
69.59274	0.7
69.59676	1.9
70.06573	0.9
71.05003	0.4
72.08141	0.4
77.03914	0.5
78.27650	0.3
79.05489	1.0
81.03412	1.3
84.04487	0.6
84.08144	0.5
84.93867	0.3
85.02909	3.3
86.09711	0.7
88.07635	0.5
89.03920	1.3
93.03385	0.9
93.07066	0.4
95.04968	1.9
96.05646	0.4
97.02885	1.1
99.04451	0.3
103.05506	0.4
105.03359	0.4
107.04942	2.8
109.02888	1.8
110.07203	0.3
111.00803	0.6
111.04437	10.6
117.03398	1.6
121.02872	1.0
123.04427	19.0
127.03909	100.0
128.04247	0.7
130.06525	0.8
131.04922	1.3
134.99731	0.4
135.04408	40.2
136.04929	0.4
137.02368	1.0
139.03893	31.6
141.06982	0.7
143.04892	0.4
149.02345	2.6
149.05977	1.0
150.03177	0.4
151.03900	7.7
152.04649	0.6
156.11348	1.1
157.06519	0.5
159.04398	1.2
161.06000	0.9
163.03886	11.2
167.03497	0.6
169.06476	0.5
173.05995	0.8
175.07507	0.4
177.05525	0.9
179.03387	1.0
185.05949	0.4
187.03850	0.7
197.05991	1.5
201.05519	0.6
205.04982	1.0
213.05493	0.7
215.07010	1.0
216.83722	0.3
221.20840	0.4
225.05385	0.7
229.04871	0.4
231.06520	1.7
241.05096	0.9
243.06436	1.8
245.04477	0.5
247.05878	0.3
253.04874	0.5
257.16110	1.1
257.56885	0.4
259.06155	1.9
261.07553	2.7
262.07547	0.3
267.00284	0.4
271.06052	4.3
289.07120	5.2
289.12338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
56.96547	2.8
57.03416	1.8
57.68483	1.0
65.03920	1.5
67.01846	1.1
68.99783	5.8
69.03425	1.7
69.50808	8.4
72.08129	1.7
78.49883	1.0
79.05473	2.1
84.04501	4.1
91.05480	6.5
93.07065	1.3
95.01317	1.6
95.04984	2.0
98.06056	1.6
98.97572	2.9
103.03971	2.5
103.05482	1.3
105.06995	1.3
107.04945	30.2
111.04426	2.9
115.05439	1.2
116.98653	1.6
117.01035	1.0
117.83608	1.1
119.04935	3.2
119.08501	2.0
121.02859	10.5
123.04416	4.2
127.03912	5.0
128.06210	1.1
131.04878	2.4
131.08568	1.7
135.04416	8.4
139.03885	3.0
141.06990	5.8
144.05679	1.1
145.02838	1.7
145.06471	2.2
147.04381	3.0
147.07986	1.9
148.06073	1.8
149.02335	74.6
150.02853	1.1
151.03874	1.7
153.01820	31.6
155.05002	1.1
155.75157	0.9
159.04396	2.0
159.08073	1.5
161.05890	1.1
163.41698	1.0
165.01970	1.1
167.03409	2.8
169.06464	8.6
171.02888	5.8
173.05983	2.0
181.06560	1.6
186.99129	2.6
187.07523	2.5
188.06932	1.2
191.06560	1.4
195.02837	1.7
197.05978	9.0
215.07018	81.8
242.05803	1.3
243.06512	100.0
244.06789	2.1
253.04965	1.4
254.67751	1.2
271.06000	37.6
289.05991	12.6
289.15771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2028
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
54.80019	0.7
55.01873	1.0
55.05509	1.4
56.05032	1.7
56.96562	19.9
57.03429	2.1
60.04517	1.9
60.05645	20.0
61.02915	1.1
66.64321	0.7
67.76152	0.8
69.03432	3.4
69.07067	3.5
70.06587	100.0
70.90765	2.2
70.98112	0.8
71.04993	3.1
71.06940	1.1
72.08154	7.1
72.98538	0.8
73.02914	2.5
74.06079	1.5
77.74617	0.8
81.03403	1.2
82.06589	0.9
83.06096	1.1
84.04493	1.7
84.08140	3.7
84.96026	1.8
85.02902	5.3
85.07696	0.7
86.06073	2.4
86.09700	26.3
88.07628	1.5
95.06079	1.4
95.81801	0.7
97.02908	2.6
97.07662	1.5
98.06026	3.9
98.97565	4.4
98.98708	2.0
99.04465	0.7
101.00884	2.1
110.07138	4.5
110.97578	1.8
111.05592	0.8
112.08723	11.8
113.07115	1.1
114.10284	1.5
115.02470	1.3
115.08723	3.7
116.00198	1.3
116.07088	10.1
116.98634	4.6
116.99753	3.1
118.03517	1.1
119.01907	14.0
125.07079	1.0
126.05509	1.8
126.09157	0.9
127.03893	1.7
128.98604	3.1
129.10294	1.4
130.08760	1.3
130.09775	4.4
131.00189	1.6
131.01909	2.8
131.99713	1.2
133.03456	4.2
134.01323	1.1
134.99684	2.7
135.00783	6.6
136.06168	3.2
137.02939	4.5
140.08121	1.3
142.03488	1.2
143.01935	1.8
143.08157	1.0
144.99910	0.7
145.04968	1.0
146.01270	1.1
146.99664	3.4
147.01408	1.5
149.01196	1.7
149.02919	1.1
150.00728	1.3
151.04599	0.8
151.12312	1.0
153.01834	1.5
156.07745	1.0
156.11284	4.5
157.03413	0.9
157.10802	1.8
158.04849	1.3
158.09236	8.9
158.71979	0.8
158.99692	1.7
160.06369	1.0
161.01775	0.9
161.02942	5.9
165.00716	1.0
166.12280	0.9
171.01334	1.6
172.31847	0.7
173.02901	1.0
174.00627	1.7
174.99147	5.3
175.11893	33.7
177.00667	1.2
178.04993	5.3
179.04001	0.8
187.00890	2.5
187.04486	1.0
188.05934	1.7
189.00739	1.0
189.02428	2.5
191.03923	1.2
193.00191	10.2
199.00859	2.2
203.04076	0.8
205.00113	0.9
205.01930	2.0
206.07001	1.4
207.03355	1.4
207.05284	1.8
208.14462	1.1
211.01204	1.3
212.12894	1.3
215.00365	1.6
217.01962	4.9
219.03593	1.6
223.01332	0.8
224.08087	3.3
225.17169	1.4
228.17213	1.6
229.15453	4.6
237.02792	1.5
247.02542	2.0
253.16579	1.4
265.03809	2.8
269.05444	1.0
270.14548	1.1
271.17654	10.6
288.07480	2.8
288.10370	1.5
288.15494	2.9
288.20273	66.3
289.03937	1.4
289.07880	1.1
289.20630	1.0
290.01831	0.8
306.08548	2.0
307.04971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01875	2.5
55.05500	7.1
56.96541	3.7
57.07099	4.1
59.11549	1.6
60.26375	1.6
63.00037	3.8
65.03952	1.8
66.08798	1.7
67.05489	11.3
69.03416	3.5
69.07055	8.1
71.05008	2.6
71.57567	3.8
79.05484	12.4
81.03394	3.9
81.07053	17.9
83.04969	3.2
83.08624	3.2
85.06541	1.9
89.03889	3.0
91.05476	14.6
93.07026	15.7
95.04964	13.9
95.08609	17.7
97.06546	4.5
97.10151	1.6
98.98456	2.2
99.29543	2.0
105.07034	22.3
107.04946	2.6
107.08591	20.1
109.06497	4.5
109.10149	8.8
111.04438	4.1
111.08101	3.5
115.05390	1.7
117.03378	5.8
117.07005	6.9
119.08573	20.1
121.02887	7.3
121.06493	7.8
121.10132	16.0
123.04449	2.5
123.08049	3.5
123.11678	2.6
127.02242	1.9
128.06236	3.1
129.06998	6.5
131.08565	15.8
133.02855	1.9
133.10100	11.8
134.10799	2.4
135.08026	2.5
135.11685	5.3
137.02336	40.2
137.05962	12.4
139.03922	3.0
141.07007	2.2
142.07764	6.1
143.08517	12.2
144.09312	2.8
145.02832	7.9
145.10107	14.4
147.04391	2.0
147.11674	6.1
149.05963	6.9
149.09616	4.6
149.13333	2.0
153.01826	10.7
155.08545	4.9
156.09332	5.5
157.10143	14.1
158.10912	5.2
159.11713	13.2
159.52402	13.1
160.28438	1.9
161.05997	3.0
161.09668	2.3
161.13255	6.9
163.03873	9.2
165.01862	3.8
165.06956	2.0
168.52969	6.3
169.10112	6.1
170.10855	2.7
171.11711	14.6
172.02844	5.7
173.06117	2.1
173.09566	2.4
173.13248	16.9
175.11180	2.7
175.14854	2.7
177.05464	16.3
181.03348	35.3
181.10069	2.8
183.02943	1.7
183.11673	4.6
185.06015	2.4
185.13231	9.3
186.13995	2.0
187.11169	5.3
187.14787	7.4
189.12903	2.6
190.95392	3.8
192.54182	4.9
195.11627	4.3
196.12534	1.9
198.10313	2.4
198.13936	2.0
199.11028	2.4
199.14861	3.9
201.16397	2.5
203.14291	4.0
208.96480	4.3
209.13324	2.3
211.14786	5.3
213.05411	4.1
213.12724	11.3
213.16293	2.3
227.14287	3.1
229.15816	2.6
231.06377	2.2
231.13826	5.8
232.96367	2.0
237.05530	3.7
241.08786	1.9
241.19484	4.0
250.97403	3.1
251.17770	2.8
259.05978	3.2
267.06607	6.9
268.07269	2.2
269.08160	4.1
269.19003	23.1
269.22659	3.7
283.04504	2.4
287.05499	100.0
287.09067	26.6
287.20050	36.7
287.23651	9.1
288.05429	67.7
297.06009	9.5
301.03925	2.4
308.56781	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	287.1276
Annotation	4'-Hydroxy-7,3'-dimethoxyflavan
Peak:m/z	Relative Intensity
53.03950	1.0
55.01875	0.7
55.05505	0.6
56.96566	0.4
57.07066	0.5
63.00037	0.8
64.99729	0.5
67.05508	0.9
68.99786	0.6
69.03432	0.6
69.07051	0.5
69.31396	5.1
75.64301	0.4
79.05489	4.8
79.05917	0.6
81.07059	2.6
83.04962	0.7
85.02887	0.6
91.05466	2.3
93.07056	1.2
94.04208	0.8
95.04964	2.5
95.08634	0.7
98.98428	1.3
100.05838	0.5
103.05462	4.8
105.03401	0.5
105.07037	4.7
107.04956	5.0
107.08599	1.3
109.06518	8.3
109.10196	0.7
111.04449	1.0
117.06985	0.7
119.08575	1.0
120.05740	0.6
121.02847	1.2
121.06514	1.1
121.10143	1.1
123.04422	0.7
131.04907	0.8
131.08510	0.7
132.05727	0.5
133.06512	0.9
133.10117	0.8
135.08054	7.2
135.26927	0.4
137.05974	100.0
138.06294	1.1
142.97894	0.5
143.08473	0.6
145.10173	0.4
147.04437	0.7
148.05171	0.7
151.07526	0.8
153.01761	1.5
157.06488	0.5
157.10123	0.7
159.11674	0.6
163.07539	28.8
165.01863	0.6
176.07335	0.6
180.42470	0.6
190.95413	1.2
200.06757	0.4
208.96486	1.5
241.19350	0.6
241.50513	0.5
250.97418	1.0
258.05219	0.6
271.10477	0.5
286.31076	1.8
287.02188	0.8
287.05484	15.5
287.08377	0.9
287.12708	1.4
287.20056	1.3
287.23502	1.0
287.31332	6.1
288.05646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0909
Annotation	3-Deoxysappanone B
Peak:m/z	Relative Intensity
51.05214	1.2
55.01850	1.3
55.05500	2.6
63.16931	1.2
65.03933	1.8
67.05492	4.4
68.99772	4.4
69.03419	1.8
69.07059	4.1
71.57874	2.2
79.05489	6.0
81.03401	10.4
81.07050	7.7
83.08620	1.9
85.02841	1.6
89.03901	5.8
91.05470	5.3
93.07051	7.8
95.04954	5.1
95.08589	4.5
97.06524	1.5
98.98436	2.1
104.29736	1.3
105.07025	8.9
107.04933	3.0
107.08588	6.7
109.02838	2.2
109.06503	2.3
109.10126	4.5
111.04437	4.1
117.03339	13.6
117.06998	2.6
119.04928	1.3
119.08569	5.7
121.02850	4.3
121.06506	1.8
121.10145	3.6
123.04395	2.5
123.08089	2.0
128.06184	2.5
129.07007	2.4
131.08551	3.5
133.10115	3.9
134.03621	1.8
135.04407	4.8
135.08081	2.4
135.11691	2.8
137.02327	100.0
137.05965	4.3
138.02657	1.8
140.93867	1.1
142.07797	1.8
143.08553	5.2
145.02841	24.3
145.10110	4.5
147.04410	2.3
147.08051	1.3
147.11667	2.4
147.53159	1.3
149.05983	4.8
149.09581	3.6
153.01822	8.6
153.05638	1.3
153.07007	1.8
155.03362	5.2
156.09332	1.9
157.06487	1.7
157.10107	3.4
159.11658	5.3
159.52412	2.4
161.13268	1.3
162.03105	2.0
163.03882	13.2
163.11165	1.5
169.10139	1.5
171.11667	4.4
173.13254	4.9
177.05450	37.0
181.03404	5.9
181.06488	2.3
183.02925	1.8
184.05255	1.7
185.13223	2.1
187.14833	3.0
190.95418	1.5
195.11617	1.3
197.05862	2.1
199.07465	2.2
199.14751	1.8
208.96407	3.6
209.06081	2.4
213.05353	2.7
213.12759	1.9
213.16455	2.3
227.17992	2.5
229.15846	1.6
231.06390	1.7
241.19496	4.8
258.05273	2.8
259.09454	2.0
269.08011	6.4
269.18979	3.3
269.22620	1.4
272.06668	2.4
287.05475	69.4
287.09097	63.0
287.17120	1.7
287.19989	10.8
287.23553	3.4
288.05432	11.8
308.56540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1273
Annotation	(-)-Sativan
Peak:m/z	Relative Intensity
53.03933	1.7
55.01880	1.0
55.05511	0.8
63.00030	1.0
65.03941	1.3
67.05505	3.6
68.99784	1.7
69.07053	1.3
70.18192	2.9
75.54709	0.5
75.90372	0.6
79.05493	2.0
81.07040	1.7
91.05492	7.3
93.07059	2.0
95.04963	6.4
95.08587	0.9
98.98438	0.9
105.07032	2.4
107.04993	0.8
107.08583	1.5
109.06516	1.3
109.10131	0.6
115.05425	1.8
117.07023	1.8
119.04950	0.6
119.08569	2.1
121.02891	1.9
121.06503	23.1
121.07378	1.2
121.10129	1.9
123.04428	100.0
124.04759	0.9
130.93185	0.8
133.06499	1.2
137.02322	0.7
137.06007	1.5
139.07539	4.3
145.06526	0.6
145.10115	1.2
145.86407	0.6
146.07281	2.5
147.04410	1.1
147.08081	2.5
147.11681	0.8
149.06020	4.3
149.09636	1.4
151.07539	51.8
152.07896	1.5
153.01799	3.7
153.79865	0.7
157.10135	1.0
159.11688	0.7
161.05997	1.2
161.09625	0.9
162.06784	2.4
165.09111	6.3
171.11711	1.5
177.09111	25.1
183.02919	0.7
185.13231	0.6
199.14839	0.7
208.96388	0.9
232.04187	0.6
241.19569	3.9
258.05307	0.7
287.05511	25.2
287.16656	1.3
287.20084	1.6
288.05884	0.9
306.43311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
51.02373	0.7
55.01857	1.8
55.05499	1.4
57.07065	0.7
65.03925	2.2
67.05495	6.0
68.99794	3.2
69.07052	1.3
71.57507	0.7
79.05481	2.1
80.51669	0.5
81.03397	0.9
81.07063	4.4
83.04932	0.6
91.05470	5.5
93.03367	1.2
93.07052	2.7
95.04964	5.8
95.08591	3.0
97.06561	0.8
97.10226	0.5
98.98438	0.7
99.60510	0.5
105.03365	0.7
105.07017	3.1
107.04951	1.6
107.08573	2.0
109.10136	1.9
112.99583	0.5
117.07024	0.8
118.32478	0.5
119.04930	13.9
119.08575	2.4
121.02878	2.6
121.06496	2.0
121.10146	2.9
123.04419	100.0
123.11692	0.8
124.04771	1.5
124.55985	0.5
125.05998	1.2
128.06177	0.5
129.06955	0.6
131.08531	1.5
133.02826	1.9
133.10117	1.5
134.03162	1.2
135.04419	1.2
135.11693	1.2
137.02368	0.7
137.06020	3.6
143.08531	0.9
145.10136	1.7
147.04401	16.5
147.11650	1.1
148.04765	0.6
149.05946	3.9
149.13229	1.0
151.03891	54.3
152.04198	1.3
153.01836	2.9
153.05452	5.0
157.06448	0.6
157.10135	1.1
159.11711	1.6
163.03922	1.5
164.04343	2.1
165.01843	0.7
165.05423	4.8
171.11682	1.0
173.13264	1.0
177.05481	5.1
177.08856	0.6
185.05978	0.6
185.13194	0.7
208.96385	1.2
213.05412	1.1
213.16406	0.6
241.04803	0.7
241.19632	0.6
259.09723	0.6
269.12781	1.3
269.22647	1.5
287.05524	25.7
287.08945	4.3
287.13898	1.2
287.20175	1.3
287.23703	4.3
288.05945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	4',5',7-Trihydroxy-2'-methoxyisoflavene
Peak:m/z	Relative Intensity
53.03939	0.7
55.01864	0.7
55.05508	2.2
56.96564	0.7
57.07059	0.3
57.22012	0.4
63.00026	0.5
65.03606	0.5
65.03937	8.0
67.01840	0.5
67.05500	2.6
68.99783	3.1
69.03416	0.8
69.07062	2.8
70.02827	1.9
71.04980	0.9
73.02892	0.4
79.05483	3.4
81.03400	1.5
81.07050	4.9
83.04979	0.6
83.08611	0.9
91.05478	7.8
93.03412	3.2
93.07034	3.6
94.04176	0.7
95.04961	1.8
95.08597	4.6
97.02914	0.4
97.06516	1.0
98.98458	0.8
103.05434	0.7
105.03378	1.6
105.07024	4.4
107.04950	20.7
107.08588	3.5
109.02871	1.0
109.06537	1.0
109.10137	2.4
110.03624	1.4
111.00805	1.9
111.04439	23.9
111.08041	0.4
115.05413	0.7
117.07011	1.0
119.04944	3.4
119.08571	3.8
121.02861	7.8
121.03871	0.5
121.06494	1.3
121.10149	2.2
122.03642	1.3
123.04440	0.7
123.08070	0.9
123.11678	0.9
125.05989	16.5
127.03864	0.8
127.11183	0.6
128.06189	0.5
129.07010	1.0
131.04971	0.4
131.08571	1.8
133.02829	1.0
133.06581	0.4
133.10112	2.9
135.04413	20.7
135.08022	0.5
135.11691	1.6
137.02333	11.9
137.05975	13.2
141.05290	0.4
142.07768	0.7
143.08546	1.3
144.09187	0.5
145.06526	0.8
145.10141	3.0
147.04396	1.4
147.11639	2.4
149.05980	1.1
149.13255	0.9
150.06824	0.6
151.03868	1.1
151.07550	1.6
151.11209	0.5
153.00562	0.6
153.01830	12.8
153.05464	21.4
153.06746	0.7
155.08656	0.3
157.06430	2.0
157.10130	2.0
159.11662	3.1
161.05963	0.8
161.09598	0.4
161.13228	1.3
163.03902	28.6
163.14836	0.6
165.01848	4.3
169.10121	0.4
171.04428	1.1
171.07993	0.5
171.11649	1.0
173.13269	2.2
175.07458	0.4
175.14850	0.5
177.05400	1.2
181.06499	0.8
183.02888	1.6
184.05173	0.4
185.05943	1.4
185.13205	1.1
187.14842	0.7
189.16362	1.0
190.95396	0.7
197.05975	0.6
199.07532	1.1
199.14795	1.0
201.16386	2.7
203.07031	0.5
211.14685	0.5
213.05484	3.9
213.08891	0.5
213.16409	1.3
215.73663	0.3
216.04121	0.4
227.06995	1.0
227.17996	0.7
229.04985	0.7
229.19379	0.6
231.06532	1.6
241.04973	2.0
241.08580	0.5
241.19379	0.4
258.05148	2.8
259.06039	1.2
259.09647	1.5
269.04355	0.4
269.08127	0.5
269.12738	0.6
269.22699	2.1
287.05478	100.0
287.09061	27.1
287.23566	5.2
288.05789	2.6
288.09073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	6a-Hydroxymedicarpin
Peak:m/z	Relative Intensity
53.03933	3.9
55.01878	1.2
55.05501	1.3
57.03414	0.8
63.00047	1.0
65.03931	1.1
67.01867	0.9
67.05492	2.1
68.99783	1.6
69.07056	1.2
73.05573	0.6
78.69585	0.7
79.05493	4.4
81.03415	1.0
81.07041	2.4
83.04996	1.2
85.02941	0.7
91.05466	5.6
93.07034	2.8
94.04176	3.0
95.04970	66.6
95.08598	2.7
98.98418	0.9
103.05479	1.1
105.03387	1.0
105.04519	2.2
105.07005	3.7
107.04953	49.7
107.08582	2.6
109.06523	12.7
109.10144	1.7
111.04421	2.1
111.14783	0.7
117.07043	0.7
119.04954	1.3
119.08572	2.6
121.02874	7.8
121.06501	14.6
121.10123	2.6
123.04427	97.9
123.11723	1.3
124.04792	1.0
128.06224	1.0
129.06924	0.8
130.93309	0.8
131.08580	1.7
133.06487	1.5
133.10207	1.2
135.04381	0.8
135.08054	1.4
137.05978	47.0
141.05428	0.9
143.08542	1.9
145.10101	2.2
147.04420	2.9
147.11691	0.9
151.03917	5.3
153.01871	3.8
153.06900	1.0
157.10144	1.8
159.11693	2.5
161.05981	2.2
161.09561	1.2
161.13261	0.7
163.03894	2.2
163.10994	0.8
165.05476	43.2
167.03409	21.7
170.07321	1.3
171.11636	1.7
173.13298	2.0
179.03400	9.2
181.04947	2.1
181.06473	3.8
185.13278	1.8
187.11267	0.9
187.14777	0.8
190.95311	2.0
193.04967	38.4
195.08073	1.4
197.05986	3.7
198.06801	3.0
208.96407	1.9
209.05914	1.1
213.09167	4.7
213.12701	1.3
225.05458	3.1
226.06245	6.6
236.04861	0.8
237.05458	1.1
239.07065	1.9
241.08595	23.8
241.19456	1.6
243.06824	0.8
250.97548	1.5
254.05693	1.7
259.09653	5.9
269.08081	31.0
269.18961	1.5
287.05545	21.6
287.09122	100.0
287.19968	3.2
287.23358	1.0
288.09445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03148	0.8
58.01463	2.1
60.04522	1.0
76.02512	1.8
77.00904	1.5
82.01445	1.3
86.00939	1.2
88.02477	1.3
94.01443	1.5
94.92999	1.4
99.01769	0.9
100.02473	6.5
100.03029	1.1
102.04027	1.8
104.01952	3.7
111.04075	3.2
112.02438	2.1
112.89598	1.5
114.89310	2.5
116.89057	0.9
117.02779	2.0
117.05123	1.9
117.32298	0.9
118.03519	53.8
122.03011	2.4
126.02779	2.3
127.03545	9.9
127.70937	0.8
129.05103	42.7
130.03505	17.7
131.02940	1.0
135.03801	2.0
136.04556	70.7
136.94051	1.0
137.04663	1.5
138.05045	1.0
141.05074	6.4
143.02992	1.7
143.06656	1.4
144.03818	4.5
145.04593	32.3
146.01227	1.2
146.02966	3.2
147.06140	50.2
148.04543	30.7
150.95546	1.6
152.06639	1.2
153.05072	4.9
155.02991	5.2
157.04565	1.3
158.03113	1.1
159.06177	12.6
161.07719	1.7
165.05138	4.2
170.07674	2.8
171.06152	26.3
172.05716	6.8
173.04082	80.0
174.02580	1.4
174.04169	1.3
176.93497	3.8
177.07246	6.4
181.04524	1.9
182.07706	8.9
183.06152	21.3
184.05617	5.9
185.04066	1.9
188.04018	1.3
188.08817	2.4
189.07207	23.6
190.06761	2.7
191.05132	100.0
192.05324	1.7
196.05693	4.7
198.07234	61.7
199.05621	4.3
200.04027	3.8
200.08780	12.0
201.07195	28.2
202.06874	1.2
209.04128	2.3
210.97162	1.5
214.06743	4.6
215.05130	1.6
216.08299	7.3
217.06560	1.5
224.08717	1.0
225.03531	5.1
225.08333	5.9
226.06700	19.0
226.08766	1.2
227.05086	12.3
228.04684	8.1
232.07658	1.2
234.03568	3.3
235.02051	1.2
239.09926	1.5
242.06206	16.1
243.04614	2.6
244.07756	8.5
245.06180	3.6
251.06325	2.0
252.04655	38.7
253.02934	1.8
260.07291	3.4
269.07327	19.4
270.05652	15.3
271.04062	1.6
287.08353	92.0
288.08804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.13627	0.2
55.01880	0.3
58.44875	0.2
62.85802	0.2
65.03926	0.4
67.01843	0.3
67.05482	0.3
68.99789	2.4
79.05470	0.9
81.03391	0.6
81.07040	0.3
89.16141	0.2
93.07039	0.2
94.04181	0.2
95.04971	0.5
95.08611	0.3
103.05418	0.2
105.03399	1.1
107.04948	1.4
107.08581	0.2
109.02873	1.1
111.00819	1.1
111.04454	0.5
115.05450	0.3
117.06950	0.3
119.04915	0.2
121.02864	7.3
121.06564	0.3
127.03937	0.3
129.06985	0.4
133.02824	0.8
135.04440	0.6
137.02322	2.5
141.06950	0.2
145.06529	0.5
147.04416	1.6
151.03906	0.3
153.01820	11.2
154.42976	0.2
157.06496	1.3
161.05945	0.5
163.03928	0.3
165.01819	4.2
171.04385	0.7
175.04008	0.2
183.02902	1.8
185.05974	1.4
197.05959	0.4
203.07005	0.3
204.71460	0.2
212.04570	0.2
213.05432	3.4
229.04906	0.5
229.60255	0.2
231.06520	1.6
241.04971	1.8
258.05237	2.6
259.06049	1.1
269.04440	0.5
286.04510	0.2
287.05481	100.0
288.05786	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.3
67.01853	0.4
68.77755	0.2
68.99789	2.1
69.03420	0.2
79.05475	0.9
81.07041	0.4
91.05487	0.3
95.04955	0.4
105.03366	0.7
105.07057	0.3
107.04948	1.2
109.02869	0.6
109.10075	0.2
111.00805	1.4
111.04449	0.7
117.07015	0.2
121.02859	6.6
127.03833	0.2
128.06268	0.3
129.06982	0.4
133.02829	0.8
135.04382	0.5
135.08139	0.3
137.02319	1.9
141.07080	0.3
145.06491	0.5
147.04407	1.2
153.01817	11.5
154.02100	0.2
157.06485	1.5
161.05974	0.5
165.01834	3.7
167.03410	0.2
171.02943	0.3
171.04404	0.8
175.03867	0.2
177.05563	0.2
183.02887	1.3
184.05127	0.2
185.05980	1.2
189.05392	0.3
197.05927	0.3
202.76505	0.2
213.05417	3.0
216.04231	0.3
217.04979	0.2
229.04926	0.4
231.06564	1.5
241.04979	1.7
250.90768	0.2
258.05237	2.0
259.05978	0.7
269.04440	0.5
287.05478	100.0
288.05780	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03923	0.1
53.78723	0.1
55.01868	0.2
58.27545	0.1
60.95010	0.1
65.03925	0.6
67.01855	0.3
68.99439	0.2
68.99788	2.8
69.03410	0.2
69.56451	0.9
71.01333	0.1
79.05493	0.7
81.03400	0.2
81.07026	0.2
87.28271	0.1
91.05476	0.2
95.04957	0.4
97.02906	0.2
97.06538	0.3
103.05426	0.3
105.03387	0.8
107.04945	1.2
107.08559	0.2
109.02883	0.8
111.00805	1.6
111.04420	0.6
114.63214	0.1
115.05438	0.2
117.07055	0.3
119.04926	0.2
121.02859	7.5
121.06522	0.2
126.97060	0.1
127.03891	0.3
128.06227	0.2
129.06989	0.5
133.02821	1.0
133.06438	0.1
135.04420	0.3
137.02336	2.2
137.05893	0.1
139.05356	0.1
139.40155	0.1
141.06999	0.3
145.06477	0.6
147.04416	1.6
151.03838	0.2
153.01820	11.8
154.02098	0.2
157.06474	1.4
161.05975	0.5
163.03882	0.2
165.01834	3.8
166.02583	0.2
169.06487	0.2
171.02950	0.2
171.04399	0.8
175.07555	0.2
183.02892	1.8
183.04459	0.2
184.05128	0.1
185.05951	1.2
189.05487	0.4
197.05940	0.4
199.03926	0.2
201.05408	0.2
203.03331	0.2
203.07088	0.3
213.05458	3.4
217.04889	0.2
229.04922	0.4
230.05728	0.1
231.06511	1.3
241.04916	1.7
243.06540	0.3
245.04370	0.2
245.69873	0.1
258.05243	2.6
259.05957	1.1
269.04398	0.3
287.05475	100.0
288.05804	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02093	0.2
55.01867	0.3
65.03930	0.4
67.01849	0.5
68.99788	3.1
69.03427	0.3
69.97990	0.3
69.98408	0.7
79.05467	0.8
81.03420	0.4
95.04958	0.7
97.02844	0.2
103.05473	0.3
105.03381	1.0
105.07013	0.3
107.04948	1.2
109.02863	1.0
111.00801	1.7
111.04434	0.6
115.05424	0.3
117.06996	0.3
119.04932	0.3
121.01995	0.4
121.02863	8.2
121.10081	0.2
127.03870	0.2
129.06941	0.3
130.23128	0.2
133.02846	0.8
135.04420	0.5
137.02316	2.2
141.07001	0.4
145.06485	0.9
147.04384	1.6
153.01820	11.8
157.06451	1.8
161.05980	0.4
165.01819	3.6
171.02957	0.4
171.04375	0.9
175.03827	0.3
183.02863	1.7
185.05965	1.1
189.05418	0.3
199.03934	0.3
203.07036	0.3
213.05484	3.3
216.04170	0.2
217.04927	0.2
229.04958	0.4
231.06505	1.4
233.09882	0.2
241.04984	1.9
243.06465	0.3
257.04111	0.2
258.05228	2.5
259.06036	1.4
269.04373	0.4
287.05481	100.0
288.05807	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86058	0.1
53.03923	0.2
55.01858	0.2
64.81224	0.2
65.03925	0.3
67.01863	0.4
68.99783	3.2
69.03426	0.3
70.49364	0.2
70.49752	0.3
71.01335	0.3
79.05485	0.9
81.03398	0.4
91.05486	0.2
95.04968	0.7
97.02872	0.2
103.05466	0.4
105.03387	1.2
105.07032	0.2
107.04944	1.6
109.02870	1.1
111.00795	1.9
111.04421	0.5
115.05438	0.4
117.06974	0.3
119.04944	0.2
121.02859	8.1
121.03864	0.4
127.03888	0.2
128.06212	0.2
129.06989	0.5
131.04965	0.2
133.02831	0.9
135.04384	0.5
137.01357	0.2
137.02341	2.5
139.05367	0.2
141.06985	0.4
145.02811	0.2
145.06483	0.8
147.04398	1.6
151.03880	0.2
153.01822	12.9
157.06493	1.6
161.05975	0.4
163.86603	0.1
165.01833	3.9
165.03253	0.2
171.02986	0.3
171.04414	1.0
173.06039	0.1
175.03954	0.2
175.07552	0.2
175.72806	0.2
183.02884	1.9
184.05098	0.1
185.05939	1.5
189.05455	0.3
194.02104	0.2
197.05946	0.4
201.05521	0.2
203.03381	0.2
203.06956	0.5
212.04674	0.2
213.05450	4.2
216.04221	0.2
229.04971	0.5
231.06485	1.7
240.96472	0.2
241.04918	1.9
258.05267	2.1
259.05994	1.1
269.04416	0.5
287.05475	100.0
288.05804	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61168	0.1
53.03936	0.4
55.01865	0.3
57.43924	0.2
65.03929	0.5
65.96638	0.1
67.01847	0.4
68.99435	0.2
68.99788	3.2
69.03416	0.3
70.00640	0.8
79.05482	1.0
81.03399	0.5
81.73852	0.1
91.05489	0.2
95.04940	0.6
103.05428	0.2
105.03391	1.2
107.04951	1.4
109.02879	1.0
111.00802	1.8
111.04476	0.7
115.05443	0.3
119.04955	0.4
121.02862	8.5
127.03900	0.3
128.06265	0.2
129.06978	0.7
130.40350	0.1
133.02820	1.1
134.40385	0.2
135.04378	0.3
137.02330	2.6
141.06969	0.4
145.06447	0.9
147.04427	2.1
153.01820	13.7
154.02156	0.2
157.06500	1.8
161.05948	0.6
165.01846	3.9
169.06448	0.2
171.04361	0.8
175.03894	0.2
175.07494	0.2
183.02904	1.9
185.05975	1.1
189.05412	0.3
194.02205	0.2
197.06018	0.4
201.05560	0.1
203.03279	0.2
203.07065	0.3
212.04846	0.2
213.05457	3.8
217.04880	0.3
229.04913	0.5
231.06529	1.2
241.04977	1.7
243.06357	0.2
258.05261	2.7
259.06055	1.1
269.04465	0.3
287.05478	100.0
288.05804	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
54.29093	0.3
65.03918	0.3
68.99783	2.8
69.99637	1.5
79.05483	0.6
80.32123	0.3
81.03414	0.4
86.11658	0.3
91.05470	0.3
95.04935	0.5
105.03379	0.9
107.04919	1.1
109.02889	0.7
111.00826	1.5
111.04432	0.4
112.12748	0.3
119.04914	0.4
121.02859	6.7
129.06970	0.6
133.02850	0.9
136.01436	0.3
137.02361	2.2
141.06990	0.3
145.06467	0.6
147.04362	1.7
153.01817	11.6
157.06490	1.5
161.05983	0.4
165.01865	3.6
169.79431	0.3
171.04369	0.6
183.02930	1.6
185.05934	1.6
189.05507	0.4
197.05948	0.3
213.05482	3.2
216.04353	0.3
229.04961	0.5
231.06483	1.3
236.20651	0.3
241.04845	1.3
258.05209	2.0
259.06143	0.6
287.05481	100.0
288.05804	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03947	0.3
62.46481	0.3
65.03931	0.9
67.01854	0.5
68.28710	0.3
68.99786	2.8
79.05479	0.5
81.03370	0.3
91.05479	0.4
91.36608	0.3
95.04977	0.7
98.20799	0.8
105.03378	1.4
107.04942	1.2
107.94389	0.3
109.02870	1.1
111.00813	1.7
111.04433	0.5
121.02864	8.7
121.03867	0.5
127.03943	0.4
128.06358	0.4
129.06964	0.7
133.02803	0.6
135.04427	0.5
137.02339	2.3
141.06958	0.4
145.06557	0.6
147.04428	1.8
151.03847	0.4
153.00549	0.6
153.01814	13.3
157.06461	1.8
161.05963	0.5
163.03920	0.3
165.01831	4.3
171.04385	1.0
183.02893	2.0
185.05960	1.4
203.07047	0.6
213.05467	4.0
229.04852	0.7
231.06496	1.6
241.04935	1.8
258.05289	2.9
259.05939	0.9
269.04373	0.3
287.05484	100.0
288.05838	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96494	0.2
53.03924	0.4
56.81121	0.3
65.03923	0.3
67.01847	0.3
68.99789	3.0
69.03432	0.3
74.99426	0.2
79.05494	0.9
81.03424	0.3
95.04939	0.5
103.05444	0.3
105.03390	1.0
107.04935	1.5
109.02870	0.9
111.00823	1.6
111.04397	0.4
115.05495	0.3
117.07035	0.3
121.02862	8.6
127.03909	0.3
129.06993	0.5
132.04234	0.3
133.02859	1.0
135.04436	0.6
137.02330	2.6
145.06458	0.7
147.04422	1.6
153.01825	11.7
157.06482	1.6
161.05952	0.4
163.03955	0.4
165.01834	3.8
171.04387	0.8
183.02890	1.8
185.05994	1.2
189.05460	0.4
197.06050	0.5
203.07204	0.4
213.05478	3.7
216.04207	0.4
229.04903	0.7
231.06561	1.2
231.99033	0.3
241.04924	1.9
250.54581	0.3
258.05270	2.7
259.05988	1.1
263.20990	0.3
269.04434	0.5
278.76944	0.3
287.05484	100.0
288.05835	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03960	0.2
55.01865	0.3
65.03930	0.5
67.01849	0.4
68.59604	0.1
68.99790	3.0
69.03439	0.2
69.26629	1.7
69.26969	0.2
71.01356	0.2
79.05495	0.9
81.03387	0.5
93.03351	0.2
94.04176	0.2
95.04963	0.3
103.05451	0.3
105.03376	1.3
107.04938	1.6
109.02876	0.9
111.00816	1.5
111.04439	0.8
117.63863	0.2
119.04980	0.3
121.02863	9.2
121.03864	0.3
123.48392	0.2
127.03923	0.5
128.06229	0.3
129.06964	0.6
133.02838	1.1
133.06487	0.2
135.04390	0.3
135.26160	0.1
137.01355	0.3
137.02336	2.6
139.05420	0.2
141.06979	0.4
145.06494	0.8
147.04395	1.8
153.01823	12.8
157.06456	1.9
161.02365	0.2
161.05977	0.5
162.76883	0.1
165.01834	4.1
169.06471	0.2
171.02980	0.3
171.04391	0.9
173.06007	0.2
175.03938	0.2
175.07510	0.2
183.02895	1.7
184.05080	0.2
185.05971	1.5
189.05353	0.2
193.37086	0.1
196.63838	0.2
197.05928	0.3
203.03404	0.2
203.07030	0.5
213.05450	3.8
216.04202	0.3
217.05038	0.2
223.03845	0.2
229.04916	0.5
231.06485	1.7
241.04909	1.8
242.05435	0.2
243.06624	0.2
245.04431	0.2
250.58745	0.1
258.05231	2.8
259.05978	1.1
269.04498	0.4
283.65305	0.2
286.04431	0.3
287.05478	100.0
288.05841	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	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
53.66656	0.1
53.93951	0.1
55.01872	0.2
55.05504	0.2
65.03928	0.5
65.27025	0.1
67.01840	0.5
68.99441	0.3
68.99791	3.2
69.03416	0.3
69.07063	0.3
75.58064	0.1
79.05485	1.1
81.03403	0.4
81.07054	0.4
91.05475	0.4
93.03396	0.2
93.07037	0.4
95.04971	0.7
95.08598	0.4
97.02870	0.2
103.05457	0.2
105.03397	0.8
105.07006	0.5
107.04950	1.5
107.08593	0.3
108.47601	0.1
109.02857	0.8
109.06506	0.1
109.10132	0.3
111.00809	1.6
111.04433	0.7
115.05470	0.3
117.07020	0.2
119.04916	0.3
119.08559	0.5
121.02859	8.2
121.03864	0.3
121.10169	0.2
127.03923	0.4
128.06207	0.2
129.06996	0.6
131.04938	0.3
131.08557	0.3
133.02843	0.9
133.10139	0.3
135.04402	0.5
135.11633	0.2
137.02328	2.6
141.06973	0.3
145.02895	0.2
145.06479	0.7
145.10152	0.2
147.04405	1.7
151.03940	0.2
153.01825	12.4
154.02211	0.2
155.06018	0.2
157.06480	1.7
161.05965	0.7
161.13261	0.3
165.00534	0.3
165.01834	3.8
165.03227	0.2
169.06462	0.3
171.04395	0.8
171.11644	0.2
175.03908	0.2
175.07463	0.2
183.02879	2.0
184.05101	0.2
185.06009	1.4
189.05478	0.4
197.06013	0.3
201.05591	0.2
202.06201	0.2
203.06993	0.3
205.19633	0.1
213.05464	3.4
217.05022	0.2
229.04890	0.8
231.06497	1.5
241.04944	1.8
242.05811	0.2
248.09023	0.1
258.05270	2.5
259.05951	0.9
269.04544	0.6
269.22495	0.2
270.05194	0.2
287.05484	100.0
287.23663	0.5
288.05817	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54754	0.2
56.96549	0.2
65.03925	0.8
67.01856	0.3
67.05488	0.3
68.99784	2.8
69.03408	0.5
69.07050	0.2
71.01997	0.6
79.05488	1.0
81.03411	0.5
81.07020	0.3
91.05483	1.1
93.87341	0.2
95.04941	0.6
95.08599	0.3
103.05479	0.2
105.03371	1.0
105.07005	0.4
107.04932	1.3
109.02852	0.7
111.00805	1.5
111.04432	0.6
115.05510	0.2
119.04931	0.3
119.08586	0.3
121.02862	7.3
127.03893	0.4
129.07040	0.4
133.02818	1.0
135.04396	0.6
137.02318	3.0
141.06935	0.3
145.06432	0.6
147.04408	1.6
151.03896	0.2
153.01819	12.3
153.05305	0.3
157.06483	1.4
161.05992	0.5
163.03943	0.3
165.01820	3.6
171.04381	0.7
175.07520	0.2
183.02899	1.8
185.05927	1.2
189.05418	0.6
197.06004	0.3
199.03874	0.3
203.03476	0.3
203.07010	0.5
213.05440	3.8
213.08867	0.3
215.40877	0.2
216.04205	0.2
217.04982	0.2
229.04892	0.4
231.06514	1.3
235.31828	0.2
241.04945	2.1
241.08682	0.4
245.04439	0.2
258.05225	2.7
259.05988	0.9
261.42661	0.2
269.04453	0.6
278.17148	0.2
287.05478	100.0
288.05835	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	287.0274
Annotation	Sulfametrole
Peak:m/z	Relative Intensity
61.21201	17.2
69.71249	82.0
69.71645	42.9
85.02907	19.1
90.94334	16.4
99.14601	17.2
104.10745	32.1
129.05136	16.3
136.93896	14.9
154.11037	17.7
201.02612	16.3
287.02673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01877	0.2
55.05491	0.3
55.53562	0.2
57.16296	0.2
58.64712	0.1
63.92389	0.2
65.03929	0.6
67.01849	0.5
67.05496	0.3
68.99782	2.9
69.03417	0.4
69.07063	0.3
69.74198	1.0
79.05500	1.0
81.03407	0.4
81.07056	0.5
91.05481	0.3
93.07038	0.4
95.04960	0.4
95.08582	0.5
98.20809	0.2
103.05419	0.2
105.03387	1.4
105.07016	0.6
107.04961	1.3
107.08572	0.3
109.02908	0.8
109.10162	0.5
111.00805	1.6
111.04419	0.7
115.05468	0.4
117.06952	0.3
119.04942	0.3
119.08560	0.3
121.02863	8.4
121.10139	0.4
127.03884	0.4
128.06230	0.2
129.06990	0.6
131.08543	0.3
133.02814	0.8
133.10112	0.3
135.04431	0.4
135.11662	0.3
137.02328	2.4
141.07048	0.4
145.06506	0.6
145.10109	0.2
147.04390	1.6
147.11638	0.3
153.01819	12.4
154.02193	0.2
157.06509	1.3
161.05954	0.5
161.13225	0.2
165.01830	3.8
169.06497	0.2
171.03058	0.3
171.04344	0.9
175.03885	0.3
183.02893	1.8
184.05278	0.2
185.05959	1.2
187.14813	0.2
189.05463	0.3
197.05887	0.4
199.03897	0.2
203.03409	0.2
203.07071	0.5
213.05450	3.7
216.04248	0.2
229.04942	0.7
229.90840	0.2
231.06503	1.2
241.04921	1.9
243.06700	0.3
243.21156	0.3
258.05206	2.6
259.05942	0.8
269.04391	0.3
269.22729	0.4
286.04263	0.2
287.05481	100.0
287.23566	1.2
288.05804	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	286.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84762	2.7
54.92085	2.9
56.42562	3.2
58.99573	3.5
59.00760	3.3
59.14780	2.5
70.06587	58.8
70.92667	5.1
70.93029	6.7
72.08154	4.0
76.02224	6.6
84.08138	4.4
86.09700	12.4
95.04958	18.3
95.26445	2.7
109.82556	3.2
110.07101	4.6
122.02696	22.1
123.04421	100.0
146.07314	3.1
165.05490	33.6
183.06918	3.2
183.14914	4.4
185.09288	4.7
215.13948	15.0
215.15749	3.2
268.09885	3.4
287.05359	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
56.05022	1.2
57.07076	0.8
59.05001	2.9
61.02929	5.2
68.05020	1.1
69.71729	3.2
69.72144	1.6
70.06590	7.2
71.04985	3.9
73.04456	0.6
79.05489	3.1
79.73958	0.6
80.05045	0.7
81.04508	0.9
81.07058	11.7
82.05320	2.3
83.06098	11.7
87.08112	1.4
93.04532	7.9
94.06554	0.9
95.06092	15.5
100.96115	0.6
107.06081	2.8
110.07162	100.0
111.05592	1.5
111.07502	1.3
112.07586	4.3
112.08736	2.7
119.06062	0.8
121.07654	1.6
130.41379	0.7
139.05032	0.8
140.07062	2.2
146.09686	0.8
156.07684	13.3
163.12302	53.6
164.12706	0.8
166.06079	2.1
169.79399	0.7
170.39336	0.6
190.13397	8.0
193.13443	0.8
208.14441	11.7
209.12955	0.9
210.16019	1.0
213.50920	0.6
219.11282	2.5
225.15993	0.6
236.13908	6.3
240.17085	8.8
241.15463	0.9
250.45946	0.6
254.14999	20.5
254.17616	1.3
286.17599	50.7
287.05405	0.8
287.17868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05500	15.1
57.03191	2.7
57.03431	30.9
57.07070	61.4
63.00038	4.1
63.98122	2.0
67.05498	33.5
69.07059	24.8
71.04968	2.9
71.08625	43.6
71.35356	2.2
71.58326	3.6
79.05473	9.7
81.07050	49.5
83.08620	10.5
85.10186	15.8
89.06009	3.9
91.05477	16.0
93.07038	5.9
95.04966	6.2
95.08601	33.9
97.06493	3.6
97.10156	4.8
98.98434	4.7
103.07509	2.7
105.07030	15.9
107.04931	3.1
107.08566	5.0
109.06506	5.6
109.10134	10.7
110.85394	2.3
111.04443	2.5
113.05910	2.1
119.08587	12.2
121.10137	8.2
123.04418	5.3
123.11694	10.8
129.06985	2.8
135.04466	2.6
137.05965	2.8
137.13260	3.8
143.08461	3.9
145.10144	4.2
147.11633	16.0
151.03900	4.1
158.07321	2.6
159.11646	2.8
161.06020	9.2
163.03951	3.8
165.12730	8.7
167.03387	9.2
169.10075	3.0
175.11111	2.9
193.12318	3.0
211.07455	3.0
211.20490	3.7
229.08594	7.7
229.21729	5.5
230.24809	3.1
242.05727	9.8
253.04808	2.5
257.08005	5.3
267.17590	3.1
270.05075	5.8
285.07556	100.0
285.11081	5.9
285.16931	7.8
285.24261	64.6
286.07758	6.1
286.31067	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	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.13662	11.3
55.05515	28.9
57.03429	16.1
62.58905	12.4
67.05500	36.0
69.07066	78.1
69.38177	10.6
72.14427	10.8
79.05508	21.6
79.17382	11.2
81.07058	99.4
83.08636	18.5
91.05489	29.9
93.07037	42.6
95.04973	13.2
95.08610	61.3
105.07021	92.4
106.15978	10.4
107.08591	47.2
109.06499	32.1
109.10155	27.7
111.08049	17.9
119.08576	100.0
121.06525	18.8
121.10147	27.5
122.82013	12.7
123.11719	37.0
125.88478	10.5
127.93666	12.5
131.08606	16.7
133.10150	44.8
145.10175	22.5
146.07294	18.6
147.11658	62.0
157.10114	19.9
159.11659	18.8
161.09618	71.5
161.13225	19.6
165.12741	26.5
173.13225	21.3
175.14838	73.7
185.13127	15.2
195.38246	11.6
244.49164	11.3
262.98859	13.6
267.21106	28.6
285.07614	15.2
285.17111	15.3
285.22012	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05510	18.5
56.96461	1.5
57.03433	21.4
67.05504	38.6
69.07067	16.3
69.64780	10.6
71.04996	5.3
79.05484	20.3
81.07056	100.0
83.04986	8.8
83.08626	9.7
85.06537	7.6
91.05474	29.3
93.07042	13.6
95.04988	3.4
95.08601	21.9
97.06536	6.6
99.08093	4.6
101.05996	2.3
103.05476	1.6
105.07031	36.9
107.08578	12.0
107.40799	1.4
109.06522	6.5
109.10165	2.2
113.05979	2.2
119.08590	29.1
119.32127	1.6
121.10135	19.1
123.08060	4.3
123.11700	31.0
127.07568	2.5
129.07002	1.9
133.10144	1.9
137.13277	2.3
141.09102	1.5
147.11684	69.3
157.10110	3.2
165.12749	36.3
175.11142	3.1
177.07819	1.5
183.13826	3.6
193.12283	1.9
229.14307	4.5
267.15982	5.1
285.07626	5.1
285.16943	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.2
55.05508	14.2
57.03434	18.8
57.07059	1.6
65.51008	1.1
67.05500	33.1
69.03427	1.5
69.07062	16.2
71.04980	4.8
71.58536	2.1
79.05491	18.2
81.03387	1.5
81.07053	100.0
83.04968	6.8
83.08625	10.0
85.06527	6.2
91.05477	25.3
93.07035	10.5
95.04955	2.9
95.08598	17.4
97.06535	5.7
99.08086	4.5
105.07024	34.6
107.08582	11.3
109.06512	5.8
109.10148	2.5
111.08092	1.8
117.07011	1.7
119.08561	25.1
121.10137	19.3
123.08054	6.2
123.11689	29.3
127.07544	3.0
129.06960	2.2
131.08516	1.9
133.10185	1.9
137.13211	2.1
145.10208	1.2
147.11676	63.7
148.11938	2.1
157.10152	3.3
165.12750	29.4
165.14116	1.8
166.13013	1.2
172.88599	1.1
175.11209	3.3
229.14372	3.7
230.78700	1.3
267.15833	2.7
279.54843	1.3
285.07504	6.2
285.16647	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
53.05710	0.6
55.01868	2.9
55.05509	19.4
57.03436	22.5
57.07077	1.4
59.04980	0.8
65.03942	2.0
66.80614	0.7
67.05500	42.6
69.03419	1.6
69.07063	19.2
70.06568	0.9
70.28281	2.9
71.04991	7.3
79.05486	25.4
81.03413	29.4
81.07050	100.0
82.03774	0.7
82.07394	1.4
83.04976	9.1
83.08612	15.8
85.02895	3.7
85.06551	7.2
87.04456	1.3
91.05474	30.7
93.07031	15.6
95.04966	12.1
95.08601	21.2
97.02880	1.3
97.06527	8.9
97.10173	1.8
99.08079	4.6
101.06015	1.8
105.07024	39.9
107.04953	2.3
107.08588	12.8
109.06535	7.5
109.10156	3.3
111.08054	4.0
113.06036	2.0
115.07552	0.9
117.07030	1.6
119.08573	31.3
121.06510	1.0
121.10135	22.8
123.08086	6.0
123.11694	29.4
125.09578	0.8
127.07542	2.6
129.07010	4.9
131.08559	3.9
133.06467	1.6
133.10114	4.7
135.11682	1.3
137.09601	1.1
137.13245	2.3
142.07791	1.7
145.10138	2.2
147.11674	72.1
148.11978	1.6
149.09639	2.6
157.10088	6.1
161.05960	0.8
165.06998	1.6
165.12743	32.1
171.11656	0.8
175.11176	8.1
178.05016	0.7
181.06418	0.8
181.54474	0.7
183.13824	2.9
188.34616	0.8
193.06497	1.3
193.12238	14.0
210.06743	1.6
211.13181	3.4
221.06017	1.6
225.09103	3.5
229.14336	3.5
238.06456	0.9
253.08556	4.3
257.04465	0.8
267.15820	4.2
270.05240	1.5
285.04013	1.5
285.07559	4.7
285.12411	4.3
285.16953	24.2
285.22031	1.7
286.04559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01875	1.8
55.05512	16.0
57.03439	20.5
57.07077	2.2
65.03938	1.4
67.05506	32.4
69.07066	17.7
70.83489	3.1
71.04985	5.4
79.05497	18.5
81.03437	1.4
81.07058	100.0
83.05000	8.7
83.08621	8.9
85.06550	5.9
88.83115	1.0
91.05486	25.0
91.06028	2.5
93.07046	11.0
95.04977	2.9
95.08611	18.7
97.06538	7.1
99.08095	4.7
105.07034	37.6
107.08593	8.2
109.06516	4.6
111.08099	1.4
113.05972	2.0
117.87693	1.0
119.08586	25.5
121.10142	17.4
123.08062	4.4
123.11700	29.1
127.07533	2.6
129.07010	2.3
133.10167	2.4
137.13235	3.2
145.83720	1.0
147.11685	70.2
157.10114	2.7
165.12747	35.2
175.11203	4.1
183.13809	3.2
193.12157	2.8
229.14397	4.5
266.77405	1.1
267.16000	3.9
285.07547	4.1
285.16968	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01872	1.8
55.05510	16.0
57.03184	2.0
57.03435	22.6
59.35108	1.3
63.45639	1.4
66.01211	1.3
67.05176	2.7
67.05505	34.3
69.03411	1.4
69.07065	20.0
70.83130	2.9
71.04980	6.7
79.05486	21.8
81.07053	100.0
83.04987	7.1
83.08624	9.1
83.09044	2.0
85.06561	7.8
86.14007	1.7
89.68591	1.3
91.05480	26.9
93.07042	12.5
95.04963	3.6
95.08605	19.4
97.06530	7.6
99.08087	4.0
105.07025	33.4
107.08566	10.3
109.06511	6.9
109.10160	2.6
109.13226	1.6
117.51746	1.7
119.08574	32.5
121.10130	19.8
122.49657	1.4
123.08055	3.6
123.11700	31.2
127.07526	3.7
131.08609	2.4
133.10144	1.8
137.13193	1.6
147.11691	66.7
157.10136	5.3
165.12733	31.5
175.11157	3.5
183.13837	2.4
229.14343	2.4
267.15897	2.8
283.52921	1.6
285.07495	3.7
285.16925	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.01316	1.0
55.01856	2.6
55.05509	17.3
55.38593	1.1
57.03434	23.5
57.07059	1.2
62.84592	1.1
65.03934	1.4
67.05502	40.6
67.08761	0.9
68.49213	1.0
69.07065	18.2
70.25781	2.1
70.26183	2.6
71.04978	7.9
79.05489	21.2
81.03446	1.1
81.07052	100.0
83.04967	7.0
83.08613	9.6
85.06528	7.1
91.05474	29.8
93.07038	10.0
95.04968	3.5
95.08603	20.2
97.06512	8.0
99.08089	4.2
101.05991	2.0
102.79650	1.0
105.07022	34.3
107.08575	14.4
109.06524	4.9
109.10183	1.4
110.57473	1.1
111.08065	2.0
113.05981	2.0
119.08572	29.6
121.10135	21.1
123.04433	1.1
123.08069	4.5
123.11707	33.1
127.07530	4.4
129.06999	2.2
131.08591	1.5
133.10110	4.4
137.13228	3.3
147.11681	78.1
157.10103	3.2
165.12752	33.5
175.11205	3.8
183.13800	3.9
193.12250	2.7
229.14365	4.3
242.46690	1.1
267.15842	3.1
270.05191	1.2
285.07663	3.0
285.16937	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.00336	0.8
55.01870	1.4
55.05508	15.4
55.28013	0.8
56.96570	1.2
57.03435	21.2
57.07075	1.8
63.84841	0.7
67.05501	34.7
69.03421	1.2
69.07063	16.0
69.07415	1.3
69.90328	1.9
69.90739	2.5
71.04993	7.2
79.05491	18.8
81.03420	1.2
81.07051	100.0
83.04977	7.3
83.08603	8.1
85.06536	7.2
91.05476	26.4
93.07038	13.7
95.04961	3.6
95.08596	21.5
95.09171	1.5
97.06520	8.3
97.10164	1.4
98.98467	1.1
99.08096	4.6
101.06024	1.4
105.07022	33.5
106.07330	1.2
107.08585	12.2
107.19297	0.7
109.06504	4.3
109.10145	2.7
110.46553	0.8
111.08076	1.2
113.05997	2.5
117.06992	1.1
118.88105	0.8
119.08575	28.1
121.09322	1.3
121.10141	19.4
123.08098	5.0
123.11700	31.2
127.07526	3.0
128.06277	0.9
129.06985	2.5
131.08536	1.5
133.10103	3.0
137.13226	2.5
141.09053	1.1
142.07704	0.9
143.08540	0.9
145.02786	0.9
145.10109	1.5
147.11679	67.4
151.03928	0.8
157.10107	4.8
159.11711	1.1
161.05920	1.0
165.12750	29.6
165.19789	0.9
167.03374	1.5
175.11145	4.4
183.11662	1.0
183.13707	2.5
193.12209	2.5
217.03740	0.7
229.08597	1.6
229.12373	0.7
229.14388	5.3
242.05634	1.3
267.15836	3.4
285.07532	14.1
285.16867	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01859	1.6
55.05266	1.1
55.05509	17.5
57.03154	1.2
57.03432	22.3
57.07066	1.5
59.04984	0.8
60.12681	0.8
61.37008	0.7
65.03921	1.4
67.05497	35.5
69.03411	2.6
69.07060	21.6
69.99940	3.8
71.04987	5.6
79.05486	22.2
81.03410	12.9
81.07046	100.0
82.07378	1.0
83.04975	8.3
83.08607	11.8
85.02887	3.2
85.06543	6.0
87.04462	1.5
91.05473	30.2
93.07035	14.8
95.04953	7.3
95.08604	22.6
97.06514	6.9
97.10148	1.3
99.08060	3.9
101.05999	1.4
105.07018	38.4
107.04961	1.2
107.08577	11.9
109.06499	5.8
109.07127	1.0
109.10141	2.7
111.08046	2.7
113.05970	1.4
117.06968	1.0
119.04893	0.9
119.08570	32.4
121.06504	1.1
121.10130	20.3
123.08061	5.1
123.11689	29.0
123.12585	1.6
124.12074	0.8
127.07536	2.4
129.06992	4.1
131.08565	3.2
133.06485	1.4
133.10097	3.7
135.11668	0.9
137.13246	3.5
141.09161	1.1
142.07767	1.4
145.10043	1.7
147.11670	72.2
149.09622	1.9
157.10098	5.3
161.05942	0.8
165.12740	34.5
175.11145	5.5
183.13794	3.0
193.12241	6.7
196.91229	0.7
211.13257	3.1
225.09149	2.0
229.14227	4.7
253.08728	1.3
257.22867	0.8
267.15945	2.6
279.97369	0.7
285.07565	3.2
285.11447	1.8
285.16937	26.8
285.22107	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03938	0.8
55.01859	1.7
55.05507	15.4
57.03433	21.1
57.07070	1.3
59.05009	0.6
65.03933	1.4
67.05499	32.4
69.03427	0.7
69.07059	16.3
70.12218	1.6
70.12634	0.7
71.04984	6.5
73.06525	0.7
77.03905	0.4
79.05012	0.9
79.05483	17.8
81.03412	0.7
81.07048	100.0
82.07409	0.7
83.04977	7.4
83.08611	8.8
85.02905	0.7
85.06531	7.7
87.04470	0.6
91.05473	24.9
93.06471	0.8
93.07037	13.3
95.04970	2.6
95.08600	20.3
97.06516	7.5
97.10173	0.7
98.21377	0.5
99.08080	4.4
101.06017	1.2
103.05446	0.5
105.07021	37.3
107.08584	10.2
109.06503	5.3
109.10145	1.9
111.08083	0.9
113.05984	1.4
117.06978	0.9
119.08570	27.4
121.10129	18.4
123.08067	3.9
123.11697	28.3
127.07523	3.1
128.06078	0.4
129.07002	1.8
131.08569	1.5
133.10133	2.5
137.13208	2.4
141.09064	1.1
142.07787	0.9
145.10081	1.2
147.11673	63.5
148.12032	0.9
149.09572	0.8
157.10083	2.6
165.12740	25.8
175.11186	2.6
183.13754	2.3
193.12263	1.6
211.13231	0.5
222.62737	0.4
229.14363	3.3
267.15942	2.0
285.16925	21.8
286.17300	0.5
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
52.43882	1.1
53.03945	1.8
55.01860	3.9
55.05510	16.4
57.03434	23.0
57.07072	2.1
65.03944	2.2
67.05499	37.2
69.03421	2.0
69.07064	21.3
71.04985	7.1
71.08628	5.5
79.05483	26.5
81.03410	2.7
81.07052	100.0
83.04974	10.2
83.08614	10.3
85.06545	7.3
87.04416	1.5
88.11277	5.3
91.05473	28.7
93.07034	16.5
95.04974	8.4
95.08604	22.9
97.06526	9.3
97.10187	1.3
99.08059	5.1
101.06010	1.2
105.07025	38.3
107.04942	2.6
107.08581	12.5
109.06520	6.6
109.10155	2.1
110.55338	1.2
111.08044	1.3
113.06029	1.6
114.17548	1.0
117.07047	1.2
119.08573	32.0
121.06532	1.6
121.10133	21.9
123.08044	6.0
123.11698	28.3
127.07536	2.7
129.07011	3.1
131.08565	3.2
133.06474	1.5
133.10149	5.7
135.08040	1.6
135.11676	1.2
137.05983	2.5
137.13283	2.7
141.09087	1.7
142.07776	1.8
143.08592	1.7
145.10095	2.6
147.11679	72.6
148.12044	1.3
149.09589	2.1
157.10146	4.9
161.05960	4.5
162.28188	1.1
163.03912	1.7
165.12733	30.0
170.15384	20.0
175.11140	5.4
183.12259	1.1
183.13841	4.1
193.12265	3.8
197.16423	1.1
198.14888	21.2
211.13368	1.7
227.06923	1.2
229.14313	3.8
253.08607	2.2
257.08185	3.0
267.15866	2.2
270.05197	1.5
285.07626	8.1
285.11325	3.9
285.16888	28.3
285.21945	1.7
285.25375	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01865	1.6
55.05505	14.8
57.03431	21.9
57.07076	0.8
65.03925	0.8
67.05497	35.2
69.03430	1.9
69.07058	19.6
69.07351	0.4
69.53613	3.8
71.04981	6.7
79.05482	18.8
81.03381	0.6
81.07044	100.0
83.04971	6.7
83.08611	9.6
85.06533	7.5
88.57510	0.6
91.05467	26.4
93.07030	12.9
95.04939	3.7
95.08590	20.6
97.06518	8.7
97.10136	1.4
99.04449	0.6
99.08073	3.9
100.58041	0.5
101.05989	1.3
105.07017	37.5
107.08578	10.9
109.06514	5.4
109.10134	1.7
111.08056	2.0
113.05072	0.6
113.05970	1.6
117.07033	0.6
119.07690	0.8
119.08564	27.4
121.10124	19.4
123.08065	5.0
123.11689	27.8
127.07512	3.2
129.07005	2.7
131.08577	1.7
133.10127	2.5
137.09685	0.7
137.13235	2.2
138.17870	0.8
142.07773	1.1
145.10117	0.7
147.11668	74.3
148.12010	1.7
149.09601	0.9
157.10068	3.0
165.12730	30.6
175.11174	3.6
183.13791	2.6
193.12238	2.2
211.13278	0.6
229.14357	3.7
267.15897	2.2
285.16916	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01858	2.1
55.05508	14.9
57.03432	20.4
57.07075	1.2
65.03929	1.0
66.22122	0.9
67.05501	33.3
69.03433	0.8
69.07063	20.4
69.45086	6.7
71.04990	5.6
73.06557	1.0
76.32960	0.7
79.05491	19.6
81.07050	100.0
83.04980	7.0
83.08613	9.2
85.06530	7.4
87.04496	0.9
91.05472	29.5
91.06015	1.9
93.07040	13.1
95.04971	3.7
95.08597	20.9
97.06528	7.3
97.10149	1.2
98.20736	1.2
99.08100	4.0
101.05994	2.2
102.51989	0.9
105.07021	35.3
107.05014	0.8
107.08588	12.3
109.06494	6.6
109.10158	2.8
111.08073	1.4
113.06007	1.9
117.07034	0.9
119.08576	25.7
119.53121	0.9
121.10126	20.3
123.08054	4.5
123.11699	29.1
127.07555	3.4
129.07010	3.2
131.08572	1.7
133.10130	3.3
137.13252	3.0
141.09103	1.2
145.10114	1.2
147.11674	71.2
153.85719	0.9
157.10110	4.6
165.12740	32.4
175.11201	4.0
177.06985	1.0
183.13843	1.9
193.12241	2.9
225.05351	1.4
229.14308	4.6
253.05090	1.1
253.08669	1.4
267.15887	3.0
270.05252	2.3
285.07587	9.4
285.16916	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	285.1119
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
53.03933	2.9
53.72218	0.6
55.01851	0.9
55.05495	2.5
56.96568	0.7
57.03433	3.4
63.00034	1.3
65.03934	1.0
67.05496	4.3
69.03415	0.7
69.07069	3.3
71.04959	0.8
71.57816	0.6
71.58276	1.1
73.29147	0.7
79.05479	6.5
79.28573	0.6
81.03399	3.8
81.07051	11.6
81.31829	0.7
83.04958	1.4
83.08602	1.4
85.02901	1.9
85.06512	0.8
91.05472	9.7
93.07023	2.8
94.03597	1.4
94.04179	19.7
95.04967	10.1
95.08598	3.5
97.06512	1.2
98.98463	0.9
103.05471	2.2
105.04499	1.4
105.07041	8.6
107.04933	2.1
107.08585	2.6
109.06509	61.9
110.88068	0.7
115.05502	0.8
116.98717	0.7
117.06992	1.5
119.04913	0.8
119.08595	5.1
120.05738	0.9
121.06493	81.8
121.10136	2.4
122.06824	1.0
123.04424	2.2
123.11707	2.4
123.83537	0.7
129.06982	0.9
131.04927	0.9
133.06494	2.5
133.10129	1.4
134.07292	0.9
135.04416	4.8
135.08043	4.5
135.11659	0.7
137.05965	100.0
138.06294	1.0
142.07742	0.8
145.02805	1.0
145.06448	0.9
145.10149	1.4
147.07961	1.0
147.11682	6.1
149.01123	0.9
149.05969	27.7
149.09515	0.7
151.03888	15.4
153.07037	0.9
157.10054	1.0
161.05984	2.8
163.03880	2.1
165.12752	3.2
167.03392	3.0
168.05716	0.7
169.06487	1.1
175.11229	1.3
177.05458	71.4
181.06468	0.8
185.13228	0.7
193.12190	3.4
197.06020	0.8
211.07425	1.2
211.13304	1.1
213.09125	0.9
214.06322	0.7
224.04709	1.0
224.08322	1.1
225.08942	0.9
229.08644	4.6
242.05730	4.0
253.08450	0.9
257.08112	2.3
257.11652	4.3
267.06512	1.0
267.10052	1.4
270.05261	2.0
284.29660	0.7
285.07571	39.4
285.11176	52.6
285.16879	3.9
285.21960	1.7
285.29895	1.0
285.64154	0.7
286.07864	1.5
286.11484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13079	0.9
53.03938	2.0
54.93195	0.9
55.01867	2.6
55.05236	1.0
55.05508	16.4
57.03436	21.7
65.03938	1.3
67.05501	37.1
69.07068	21.4
69.37825	6.1
69.38232	2.1
71.04990	7.5
79.05489	20.2
81.03424	7.3
81.07052	100.0
83.04984	7.3
83.08614	11.6
85.02899	2.0
85.06543	5.8
91.04897	1.4
91.05472	28.1
91.06017	2.0
93.07041	13.2
93.08313	0.9
95.04942	4.7
95.08598	18.6
96.21500	0.9
97.06541	7.2
98.20657	1.3
99.08100	4.7
101.06013	2.1
105.07028	38.6
107.08590	12.0
109.06522	6.5
109.10147	1.9
111.08053	2.4
113.05980	1.6
119.08573	31.6
121.10135	19.6
123.08073	5.1
123.11698	31.0
127.07552	2.8
129.06995	2.6
131.08546	2.5
133.10109	3.5
137.13268	2.7
141.09019	1.0
145.10188	1.5
147.11681	72.3
148.12062	1.3
157.10135	5.3
162.86792	0.9
165.12750	31.3
175.11212	2.8
183.13715	3.1
188.80295	0.9
191.60573	1.0
193.12270	5.1
193.59772	1.0
211.13329	1.3
229.14357	3.6
267.15985	2.4
285.07635	1.4
285.16934	29.0
287.19025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03911	0.3
55.01855	0.5
55.05507	2.4
57.03433	2.6
57.07053	0.5
65.03904	0.3
67.05501	5.1
69.03418	0.5
69.07061	2.4
70.22975	1.4
71.04983	0.6
76.12759	0.3
79.05495	3.0
81.03418	2.5
81.07053	12.4
83.04980	1.5
83.08624	2.0
84.04447	0.3
84.08102	0.3
85.02870	1.3
85.06525	0.7
86.09676	0.3
91.05478	4.0
93.07039	2.6
95.04967	1.9
95.08599	3.6
97.06496	1.1
97.10158	0.3
98.97573	0.3
98.98376	0.4
99.08026	0.3
105.03356	0.4
105.06384	0.5
105.07025	5.9
107.04957	0.6
107.08575	1.8
107.09184	0.3
109.06487	0.8
109.10127	0.9
110.03614	0.4
111.04408	0.7
111.08041	0.8
117.07024	0.3
119.04969	0.3
119.08575	4.3
119.16012	0.3
120.08080	0.3
121.06429	0.4
121.09451	0.3
121.10146	2.9
123.04408	1.0
123.08038	0.7
123.11708	3.1
128.06169	0.3
129.06978	0.7
131.08522	1.1
133.10109	1.2
134.03674	0.4
135.04424	0.6
137.02321	2.7
137.13202	0.4
143.08560	0.6
145.10117	1.1
147.11696	7.4
148.07533	0.8
149.05945	0.3
149.09607	0.7
151.03879	2.0
157.10158	1.6
159.11642	0.7
161.05933	1.3
163.03856	0.7
165.06976	1.0
165.12750	3.1
169.10081	0.6
175.03888	0.5
175.11154	0.9
182.07176	0.8
183.13857	0.4
185.05945	0.4
185.13295	0.4
193.06477	0.9
193.12236	2.0
196.05124	0.5
202.40654	0.3
210.06747	0.9
211.13184	0.5
213.05487	2.5
214.06100	0.4
221.05945	0.7
225.09154	2.0
238.06171	0.6
239.07010	0.6
239.11809	0.9
239.17723	0.3
241.04901	1.4
242.05722	47.8
243.06094	1.2
253.08609	2.8
257.08124	0.5
267.15787	0.6
267.21021	0.5
270.05215	58.1
271.05481	1.6
285.07556	100.0
285.16461	3.0
285.21820	2.3
286.07907	2.7
301.42130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
51.73692	0.4
53.03930	1.3
55.01867	0.5
55.05505	2.8
56.96570	0.4
57.03433	3.9
63.00038	0.8
65.03933	2.3
66.04713	0.8
67.05504	6.1
69.07069	3.5
69.41033	3.9
71.04993	1.2
77.58605	0.4
79.05492	9.1
81.03423	3.3
81.07053	13.8
83.04985	1.8
83.08617	2.5
85.02890	1.6
85.06591	0.5
91.05479	7.5
93.03413	0.8
93.07050	3.3
94.04173	1.7
95.04961	5.2
95.08604	4.2
97.02913	0.4
97.06529	1.5
97.10205	0.5
98.98440	0.8
99.08062	0.5
105.03365	0.7
105.07024	6.2
107.04945	4.6
107.08591	2.9
109.06513	12.3
109.10135	1.2
111.04453	3.8
111.08080	0.8
111.43612	0.5
115.05429	0.6
117.07013	0.8
118.04176	0.9
119.04943	1.2
119.08580	4.5
121.06495	1.9
121.10109	2.7
123.04441	4.8
123.08016	0.8
123.11684	3.2
128.06255	0.5
129.06976	1.0
131.04965	0.9
131.08537	1.4
133.06493	1.8
133.10097	2.0
134.04439	0.7
134.99680	0.5
135.04414	5.2
135.08061	0.8
135.11708	0.7
137.02353	1.6
137.05972	100.0
137.13136	0.6
138.06290	0.7
142.07819	0.5
143.08620	0.7
145.10155	1.6
147.04401	1.0
147.11687	8.2
149.05989	2.9
151.03886	6.9
157.10165	1.5
161.05977	10.5
161.07256	0.7
163.03886	5.9
165.06956	0.6
165.12744	3.7
175.11243	1.2
177.05437	1.8
183.11682	0.5
183.13768	0.4
193.12233	2.4
200.25383	0.5
211.07442	0.4
211.13219	0.9
221.05963	0.5
225.09042	2.0
227.06625	0.5
229.14336	0.5
253.08682	1.9
254.09175	0.5
255.05798	0.7
257.07986	0.5
257.11859	0.7
267.06393	0.5
270.05334	0.6
270.08893	0.4
285.07452	8.4
285.11215	7.4
285.16681	3.5
285.22098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03921	0.2
55.01864	0.4
55.05495	0.9
55.55531	0.2
57.03414	0.8
61.09080	0.3
65.03944	0.3
67.05493	1.9
69.07050	1.0
69.55155	1.1
69.55589	1.1
71.04971	0.4
79.05480	1.7
81.03403	1.5
81.07045	3.3
82.00549	0.9
83.04978	0.7
83.08611	0.7
85.02869	0.7
91.05490	1.9
93.03397	0.4
93.07024	1.1
95.04951	1.0
95.08591	1.2
96.02023	0.3
98.20847	0.5
103.47736	0.3
105.07008	2.1
107.01326	0.6
107.04934	1.1
107.08545	0.7
109.06516	0.5
111.08083	0.4
118.04170	0.9
119.04948	0.3
119.08583	1.4
121.06487	0.3
121.10103	1.1
123.04369	1.5
123.11667	0.6
125.02367	0.5
129.06998	0.4
131.08502	0.4
132.05688	0.3
133.06471	1.5
133.10158	0.4
137.02359	0.8
140.06190	0.7
141.06970	0.5
144.05679	0.5
145.06432	0.7
145.10123	0.3
147.11687	2.9
148.05110	0.3
149.09586	0.4
152.01180	0.3
152.06210	0.7
153.01805	1.6
153.06993	0.6
155.08537	0.5
157.10129	0.7
158.07216	0.3
160.25475	0.3
161.05965	0.3
165.06963	0.8
165.12776	1.0
168.05707	3.4
169.06395	0.3
170.02090	11.3
171.04482	0.3
172.05214	0.7
173.06053	0.4
175.11163	0.9
179.03438	0.4
181.06313	0.4
183.08029	5.9
185.06026	0.3
186.06772	0.9
193.06464	0.3
193.12273	1.1
196.05199	2.1
197.05939	1.0
211.07530	5.6
211.13251	0.4
213.03432	0.5
213.05434	5.3
214.06207	1.5
216.04149	0.4
221.05885	0.4
224.04759	0.5
225.05498	1.2
225.09000	0.5
226.06403	0.3
229.05074	0.4
229.08586	10.3
236.26515	0.3
239.07016	2.3
241.04964	2.2
242.05740	5.4
253.04964	3.4
253.08522	1.0
257.08051	0.6
267.06503	0.8
269.04410	5.4
270.05203	4.9
285.07556	100.0
286.07813	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Biochanin A
Peak:m/z	Relative Intensity
55.01858	0.2
55.05508	0.3
57.03423	0.4
67.05495	0.8
68.99811	0.2
69.07068	0.4
69.82706	1.3
78.04716	0.3
79.05484	0.6
81.03419	0.5
81.07059	2.6
83.08627	0.2
83.79149	0.2
89.03926	0.6
91.05473	0.8
93.07043	0.5
95.04951	0.3
95.08595	0.8
97.06487	0.2
105.03393	0.2
105.07019	0.7
107.04939	0.2
107.08569	0.4
107.14449	0.2
108.02068	0.4
115.05457	0.5
117.03368	0.3
119.08595	0.9
121.02822	0.2
121.10129	0.5
123.11723	0.4
129.06969	0.5
133.10057	0.4
134.02733	0.2
134.03619	8.8
137.02328	15.6
141.06989	2.4
145.06502	0.2
145.10182	0.3
147.11685	1.7
147.12733	0.3
154.02589	0.7
155.04910	0.6
157.06483	0.4
158.07262	0.7
165.06998	0.3
165.12758	0.7
168.05756	1.0
169.06476	2.0
178.04964	0.9
181.06502	0.9
183.04404	0.9
185.05943	1.2
186.06734	2.8
193.06407	0.3
196.05182	0.5
197.05966	7.4
198.06284	0.2
199.03880	0.3
209.06033	0.2
213.05450	13.9
214.06232	8.5
224.04701	0.5
225.05447	16.7
225.09068	0.6
226.05885	0.5
229.08617	2.3
241.04979	0.8
242.05702	2.9
252.04153	0.3
253.04944	23.9
254.05438	0.4
257.08194	0.7
269.04449	6.5
270.05209	32.7
271.05594	1.1
285.07547	100.0
286.07895	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	Biochanin A
Peak:m/z	Relative Intensity
53.39149	0.2
55.01862	0.2
55.05510	0.4
56.13329	0.2
57.03441	0.6
64.62066	0.1
65.03944	0.2
67.03194	0.2
67.05503	0.8
68.99785	0.2
69.07062	0.3
69.47884	0.5
69.48291	0.9
78.04729	0.2
79.05499	0.4
81.03424	0.3
81.07047	2.1
83.08613	0.2
85.06490	0.2
89.03931	0.5
89.16411	0.2
91.05496	0.7
93.07059	0.3
95.04964	0.2
95.08614	0.6
98.21455	0.4
105.07034	0.7
107.08580	0.3
108.02075	0.3
115.05453	0.4
119.08611	0.6
121.02848	0.2
121.06548	0.2
121.10133	0.5
123.11708	0.6
129.07079	0.4
134.03630	8.4
136.01552	0.2
137.02330	15.2
141.06990	2.7
142.07405	0.2
147.11676	1.4
147.87521	0.2
149.02357	0.2
149.05902	0.3
152.06203	0.2
153.06830	0.2
154.02615	0.7
155.04907	0.5
157.02582	0.2
157.06520	0.5
158.07251	0.6
165.12785	0.6
168.05717	0.6
169.06448	2.2
171.04395	0.2
175.03963	0.3
179.30637	0.2
181.06488	0.5
183.04376	1.2
185.05959	1.3
186.06750	2.5
196.05168	0.7
197.05968	5.1
197.07680	0.4
198.06470	0.2
200.04675	0.3
213.05457	13.4
214.06209	7.5
215.06679	0.3
224.04729	0.5
225.05452	15.0
226.05899	0.6
228.04138	0.2
229.08585	2.2
241.04939	0.7
242.05771	1.7
253.04942	15.2
254.05348	0.6
257.08090	0.7
269.01526	0.3
269.04428	6.1
270.05209	30.3
271.05569	0.8
285.07547	100.0
286.07938	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	6,4'-Dihydroxy-3'-methoxyaurone
Peak:m/z	Relative Intensity
51.02380	1.4
51.61854	0.9
53.03947	1.2
55.01859	1.3
55.05264	0.8
55.05506	6.1
55.40152	1.0
57.03439	7.0
61.40139	1.0
63.00069	1.0
65.03936	20.1
66.04691	1.0
67.05500	13.7
69.03429	1.4
69.07072	5.4
69.91241	5.7
71.04961	1.4
77.03915	1.1
79.05486	14.2
81.03416	5.3
81.07051	23.2
83.04975	3.9
83.08620	4.6
85.02890	2.0
85.06540	1.8
87.04417	1.4
89.03951	1.0
91.04900	1.6
91.05471	33.8
93.03404	15.3
93.07043	8.3
95.04961	12.9
95.08594	7.8
97.02899	1.4
97.06517	2.2
98.21432	1.2
98.98461	1.1
103.01590	0.9
105.03398	1.0
105.07022	12.0
107.04949	58.4
107.08580	5.9
108.39293	0.9
109.06509	9.4
109.10134	2.0
111.04435	66.3
111.08057	1.3
117.06995	1.5
119.04928	23.2
119.08577	9.0
121.06466	2.1
121.10135	4.7
123.04422	45.7
123.08041	1.1
123.11684	4.0
127.07480	1.0
129.07005	2.3
131.04958	1.1
131.08572	4.2
133.03467	1.2
133.06482	2.0
133.10135	4.9
135.04411	95.4
135.08055	2.8
135.11699	1.7
136.04686	1.7
137.02339	28.5
137.05966	47.5
143.08554	1.3
147.04364	6.7
147.11661	11.1
148.05266	2.1
149.02336	3.2
149.05969	13.9
149.09564	1.2
151.03894	100.0
151.11166	2.8
152.04230	1.3
153.06987	2.8
157.06468	0.9
157.10127	2.9
161.05972	11.5
163.03894	99.1
164.04234	1.4
165.12793	5.3
175.03935	3.4
175.11189	3.6
181.06453	3.3
193.12230	3.4
197.06020	1.3
199.07512	5.9
208.59596	0.9
209.06035	1.4
211.13327	1.2
225.09016	2.9
227.07076	3.2
239.07066	1.5
253.08473	2.5
255.06355	1.3
257.08160	7.4
267.06519	3.2
270.05258	2.0
285.07574	98.7
285.11124	8.1
285.16678	6.0
285.21927	1.7
285.25381	1.1
286.07767	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	285.0756
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
51.02395	0.3
52.77339	0.3
53.00295	1.3
55.01863	2.2
55.05497	1.1
56.96551	0.9
57.03434	1.5
57.07066	0.3
57.37689	0.2
63.00063	0.3
65.03936	3.0
67.05500	8.8
68.99785	3.4
69.07067	1.3
71.04974	0.5
71.23138	0.2
79.05497	2.0
81.03412	0.7
81.07047	5.6
83.04957	0.7
83.08607	0.8
85.02909	0.3
85.06531	0.4
91.05466	2.4
93.03393	4.4
93.07042	1.1
95.04964	6.8
95.08605	1.6
97.02876	0.5
97.06510	0.7
98.20676	0.6
98.97555	0.7
98.98447	0.3
105.07044	2.3
107.01309	0.4
107.04965	1.6
107.08591	1.3
109.06501	0.5
109.10123	0.4
111.04427	1.1
116.98606	1.0
117.07015	0.4
119.04955	1.0
119.08556	1.7
119.22616	0.3
121.02873	4.9
121.10147	1.3
123.04418	83.5
123.11697	1.4
124.04769	1.3
128.06235	0.6
129.07010	0.6
131.00191	0.4
131.04912	0.4
131.08519	0.5
131.85849	0.3
133.02872	0.5
133.06454	0.4
133.10107	0.5
134.03647	0.8
134.99637	0.5
135.04364	1.4
137.02309	1.8
137.05954	0.6
138.03235	0.3
141.07008	0.5
143.08539	0.4
145.10089	0.5
147.04404	7.1
147.05527	0.5
147.11670	3.9
148.05199	2.4
149.01161	0.7
149.13252	0.3
151.03891	100.0
152.04228	1.8
152.06140	0.4
153.06946	0.9
155.08643	0.3
157.06464	0.7
157.10208	0.4
159.08005	0.3
161.05980	2.0
162.03036	0.4
163.03912	4.6
165.12715	1.7
167.02229	0.8
171.01343	0.3
175.03894	15.6
175.11131	0.4
176.04469	0.6
181.06479	1.3
185.05949	1.1
187.07523	0.3
191.03368	0.4
197.05838	0.4
199.07500	1.3
201.05637	0.3
209.06001	0.7
212.10574	0.5
212.60837	1.1
213.05504	0.8
225.05501	0.3
225.08978	0.3
227.06990	2.7
229.14328	0.3
237.05594	0.6
239.07014	0.4
239.18019	0.3
242.05771	0.3
253.08467	0.3
255.06488	5.6
255.09210	0.3
256.06934	0.4
257.08093	1.4
267.06586	0.5
268.07074	0.7
270.05255	0.4
276.20450	0.3
284.06384	0.9
284.62872	2.3
285.07483	12.2
285.11139	1.2
285.16772	0.6
285.21988	0.4
286.07831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
52.40820	0.4
53.00308	1.5
53.03916	0.4
55.01867	2.6
55.05505	1.1
57.03422	0.9
62.86436	0.4
65.03942	3.0
67.05171	0.8
67.05505	8.2
68.99790	3.0
69.07058	1.2
69.78597	2.6
73.07769	0.4
79.05495	1.3
81.03393	1.0
81.07049	4.1
83.08659	0.4
91.05480	2.5
93.03410	4.8
93.07063	0.5
95.04971	6.5
95.08595	1.0
97.06525	0.5
105.07030	2.0
107.04949	1.4
107.08590	0.8
111.04440	1.2
115.05476	0.4
119.04932	1.1
119.08578	1.3
121.02867	4.3
121.10168	1.2
123.04424	81.8
123.11691	0.9
124.04791	1.1
129.06990	0.5
131.08571	0.4
133.02821	0.7
134.03604	0.7
135.04359	1.3
137.02339	2.0
138.03043	0.6
140.98442	0.4
141.06898	0.5
147.04408	7.8
147.11678	3.2
148.05133	1.7
151.03899	100.0
152.04231	1.6
153.06967	0.9
157.06448	0.9
160.97510	0.5
161.02400	0.4
161.06020	0.5
163.03923	3.9
165.12767	1.2
166.55835	0.5
171.07983	0.6
175.03891	16.2
176.04442	0.6
181.06479	1.1
185.05957	0.7
199.07520	0.7
209.06030	0.5
213.05489	0.5
227.06927	2.3
233.24654	0.4
237.05501	0.8
255.06506	4.2
255.40387	0.5
257.07983	0.8
267.06439	0.7
268.06793	0.6
270.05399	0.5
281.43176	0.4
284.06305	0.9
284.62796	0.9
285.07468	10.3
285.16940	0.6
285.21838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
53.03940	0.1
55.01860	0.1
55.05498	0.2
57.03424	0.2
63.02361	0.1
64.45690	0.1
65.03938	0.4
67.01861	0.5
67.05507	0.4
68.99802	0.2
69.03397	0.1
69.07068	0.2
71.04998	0.1
71.57996	0.1
75.26322	0.1
79.05478	0.3
81.03425	0.4
81.07053	0.8
81.56276	0.1
83.04962	0.1
85.02895	0.1
89.03937	0.3
91.01823	0.1
91.05477	4.9
93.07026	0.2
95.04977	0.5
95.08601	0.2
97.06513	0.1
99.04436	0.2
102.04677	0.1
103.05448	0.2
105.03377	0.3
105.07018	0.4
107.04955	0.7
107.08585	0.2
108.02058	0.1
108.05727	0.1
109.06518	0.2
111.04428	0.5
115.05426	0.3
117.03381	0.1
118.04150	0.1
119.04937	1.6
119.06160	0.1
119.08556	0.2
121.02874	0.5
121.03596	0.1
121.06467	0.1
121.10103	0.1
123.00868	0.1
123.04430	0.8
123.11701	0.2
124.01526	0.4
124.71173	0.1
125.02331	0.3
128.06166	0.1
129.06990	0.3
131.04900	0.9
131.08582	0.1
132.81009	0.1
133.02834	0.3
134.03604	0.2
135.04410	1.2
137.02328	0.3
141.05428	0.2
141.06978	1.2
142.07759	0.1
143.08575	0.2
144.05688	0.1
145.02831	2.9
145.06458	0.2
145.10068	0.2
146.07256	0.1
147.04387	0.1
147.11650	0.6
149.02296	0.1
151.03894	0.5
152.06201	0.3
153.06985	0.3
154.07706	0.1
155.03355	0.2
155.04793	0.1
155.08543	0.2
157.06544	0.2
157.10120	0.1
158.07285	0.7
159.04413	1.6
159.07951	0.1
160.97560	0.1
161.05959	0.3
162.03047	0.1
163.03891	3.7
164.04671	0.4
165.06993	0.1
165.12729	0.3
167.03392	11.5
168.03751	0.2
168.05702	1.5
169.02806	0.1
169.06473	1.7
169.10149	0.1
170.07224	0.2
171.04398	0.1
171.08058	0.2
171.11700	0.1
172.05121	0.1
173.09581	0.3
179.03410	0.8
180.00514	0.1
180.05722	0.1
181.05048	0.1
181.06488	0.2
183.08043	1.3
184.05177	0.2
185.04410	0.2
185.05960	0.3
186.06740	1.1
187.03938	0.4
187.07471	0.1
193.12198	0.1
196.05170	0.9
197.04427	0.1
197.06004	1.3
198.06744	0.5
199.03903	0.2
199.07413	0.1
200.04572	0.1
201.09071	1.0
205.04958	0.2
211.07527	1.8
213.05446	0.5
214.06229	2.7
215.06882	0.2
224.04671	2.1
225.05389	1.0
226.06223	0.3
227.06943	0.3
228.04082	0.1
229.08588	10.0
230.08977	0.3
239.07072	0.5
239.17917	0.4
241.04909	0.8
241.08607	0.3
242.05721	10.0
243.06169	0.4
252.04190	0.7
253.04865	0.1
257.08072	5.6
258.08444	0.1
267.06461	1.8
269.04425	0.1
270.05222	1.8
285.07547	100.0
286.07898	3.3
286.10321	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	284.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05505	1.6
56.48574	0.5
57.03424	0.8
67.05505	3.3
68.03750	0.5
69.07066	1.8
70.02946	3.7
70.06589	0.9
71.56837	0.8
72.04501	0.6
79.05495	3.4
80.05005	0.7
81.03401	1.6
81.07069	4.0
83.04919	0.6
83.08601	1.3
85.17011	0.5
86.09708	1.0
88.03996	1.2
91.05458	2.2
93.07037	5.2
94.06585	0.9
95.04975	0.8
95.08585	2.9
96.08131	0.8
98.47449	0.6
105.07021	1.2
106.05067	0.8
106.06556	0.6
107.08567	4.1
108.08114	8.5
109.08897	1.0
109.10155	1.1
110.06054	0.9
110.09669	1.6
118.05032	0.9
119.08573	1.3
120.08102	0.6
121.10175	0.5
122.09666	8.5
122.76971	0.6
123.10443	1.6
123.11759	0.7
124.11198	0.6
134.03647	0.5
134.09607	0.8
135.11670	4.4
136.11224	3.1
137.02330	1.3
138.09134	0.7
140.10641	0.7
150.11620	1.0
150.12773	12.4
151.13573	6.2
152.10651	0.9
153.12663	0.7
164.14360	1.2
165.01884	0.6
166.12279	0.8
166.15952	0.8
168.06657	0.7
172.09686	0.8
176.14287	1.0
178.15884	3.9
180.10152	1.0
183.02959	0.8
184.09666	0.7
186.11278	1.3
194.15405	3.3
196.09654	0.9
198.11325	0.6
208.13336	0.7
210.11317	2.1
210.14870	2.9
213.05495	0.7
222.18384	0.6
238.14363	1.1
240.15935	100.0
241.08533	0.6
241.16251	2.2
242.17484	7.4
253.04935	0.6
254.17642	0.5
254.84935	0.6
269.08167	0.7
270.05240	1.6
284.18549	45.6
284.29425	1.3
285.04327	1.1
285.07495	5.3
285.12585	0.5
285.18829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
57.03418	0.8
67.05491	1.5
69.07059	2.1
70.02952	3.1
70.06580	0.7
71.56812	0.9
72.04488	0.6
79.05492	3.0
80.05019	0.7
81.03401	0.9
81.07053	3.1
82.06565	1.0
83.04913	0.5
83.08606	1.5
86.09696	1.0
88.03962	1.8
88.04481	0.5
91.05461	1.4
93.07040	5.4
94.06551	1.3
95.05010	0.5
95.08606	2.7
96.08119	0.7
97.06471	0.4
98.06019	0.5
102.05531	0.6
105.07007	1.4
106.06551	0.4
107.08574	2.9
108.07444	0.6
108.08118	9.2
109.08914	1.0
109.10142	1.4
110.09664	1.7
118.04998	1.0
119.08560	1.0
121.10112	0.6
122.09660	8.2
123.10469	2.4
123.11675	0.6
124.07613	0.4
124.11246	0.6
128.55151	0.4
133.10126	0.4
134.03644	1.1
134.09618	1.0
135.11679	4.0
136.11200	3.2
137.02301	1.2
137.13255	1.2
140.10655	1.0
148.11200	0.8
150.12779	12.2
151.13559	7.0
152.10727	0.9
153.12679	0.6
164.14323	1.4
165.01778	0.7
166.12259	1.6
166.15880	1.1
168.06549	0.9
178.15904	4.9
180.10191	1.2
180.17522	0.5
182.94695	0.5
183.02895	1.2
186.11230	1.6
194.15398	3.3
196.09698	1.0
197.05936	0.6
210.11223	2.2
210.14886	3.7
211.11971	0.7
213.05534	1.2
214.06250	0.6
225.05400	0.8
238.14307	0.8
240.15938	100.0
241.08250	0.5
241.16324	1.9
242.17485	6.8
247.89400	0.5
253.04968	1.0
269.04590	0.8
269.07956	0.5
270.05252	2.5
284.18555	45.4
285.04297	0.4
285.07541	10.2
285.18954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01883	0.2
56.05025	0.4
56.96572	1.8
57.03424	0.3
70.06585	0.8
70.37253	0.6
70.37655	0.5
71.41521	0.3
73.02916	0.4
75.06814	0.2
84.52183	0.3
85.51767	0.3
97.02870	0.3
109.05096	0.7
110.03540	2.4
110.07126	0.7
116.98655	0.4
119.06064	7.0
128.04576	1.1
134.04517	0.3
135.03011	3.2
135.05521	0.4
136.06189	1.5
141.10078	0.3
147.05518	0.6
148.06294	0.3
149.07101	2.0
150.05510	0.7
152.05673	100.0
153.04076	10.3
153.06062	0.9
154.02505	0.4
161.38724	0.3
164.07027	0.5
165.06592	6.9
165.07912	0.5
171.33676	0.3
172.29050	0.3
176.07310	0.3
183.07664	1.0
224.08047	0.4
284.12534	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	284.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
56.05035	1.4
58.54595	0.4
63.00020	0.6
65.36131	0.5
67.05505	0.5
69.03423	0.8
70.06582	1.3
71.25127	0.7
71.25455	0.5
72.08141	0.4
79.05494	1.0
81.07083	0.8
82.06600	0.5
83.06103	3.5
84.04497	52.3
85.02911	1.7
93.07039	1.9
94.06531	0.8
95.04950	0.7
95.07352	1.3
97.02905	0.7
98.98476	0.5
101.07125	5.6
102.05528	1.6
105.07005	0.7
108.04502	0.6
110.06047	1.1
110.07191	0.8
110.09689	1.3
122.06020	0.6
123.06773	3.2
126.09161	8.8
129.06575	8.5
130.04990	68.6
131.05370	0.7
136.07597	0.8
138.09126	100.0
139.09474	1.0
140.07022	1.2
145.05005	0.5
147.07632	46.7
148.07921	0.7
149.07056	0.7
152.05688	0.9
155.11815	1.2
164.07104	0.5
221.12784	5.4
266.14645	0.8
267.13443	0.9
282.08182	0.5
284.16037	8.6
284.29486	2.8
309.65332	0.5
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	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
55.05503	10.6
57.07079	4.1
67.05508	21.9
69.03433	7.9
69.07056	13.9
69.93042	9.0
69.93446	7.1
71.05003	6.5
79.05489	20.4
81.07046	30.9
83.05003	3.5
83.08621	7.9
90.15407	2.4
91.05476	25.7
93.07047	28.9
95.04958	13.9
95.08607	20.8
97.06531	6.7
97.67371	3.0
103.05457	3.3
105.07030	51.7
107.08589	26.8
109.06506	7.8
109.10162	17.5
117.07030	9.1
119.08577	43.6
121.06512	9.4
121.10138	100.0
122.10500	3.6
123.08088	8.1
123.11713	9.3
126.40221	2.9
128.06201	6.5
129.07039	6.2
130.07809	6.4
131.08559	26.9
133.10130	27.2
135.08075	6.5
135.11708	10.3
143.08589	16.2
145.10117	38.1
147.08112	2.8
147.11699	9.5
149.13222	4.2
155.08615	4.0
156.09372	3.7
157.10110	19.5
158.10927	8.1
159.08095	4.6
159.11678	15.2
161.09625	23.6
161.13326	7.9
163.11235	5.3
169.10164	8.2
170.10788	3.1
171.08023	3.2
171.11728	15.6
173.09639	5.7
173.13261	52.1
175.11209	7.5
175.14879	4.8
179.08606	5.2
181.10159	5.3
183.11732	6.0
185.13210	7.2
187.14877	10.1
191.14452	3.0
194.10983	3.6
195.11673	9.8
197.13237	4.6
199.14789	6.6
201.16454	2.8
209.13229	13.7
211.14845	4.2
213.12766	6.3
213.16289	5.6
223.14844	8.9
225.05446	3.8
227.12437	3.3
227.14311	8.1
239.18149	2.9
255.21077	6.4
265.19556	21.2
283.06036	11.0
283.09634	7.6
283.20557	86.1
284.20682	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	283.2054
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.94965	2.0
53.03942	4.4
53.14426	2.1
55.05509	14.8
57.03434	3.2
57.07033	4.6
65.03920	2.7
67.05498	21.3
69.03429	10.6
69.07062	15.3
70.10858	11.2
71.04987	3.5
71.34128	2.3
77.56064	2.3
79.05486	26.5
81.03451	2.1
81.07058	36.7
81.79170	2.2
83.04976	5.4
83.08609	7.7
91.05470	26.4
93.07039	36.8
95.04951	14.2
95.08603	27.6
97.06515	4.1
97.10152	3.4
103.05442	2.6
104.75675	2.1
105.07030	58.0
107.08591	38.4
109.06502	10.4
109.10153	18.2
115.05444	3.8
117.07011	13.1
119.04932	2.1
119.08575	46.9
121.06502	9.0
121.10138	90.8
123.08049	10.8
123.11671	7.7
125.09578	2.3
125.35126	2.3
128.06177	3.8
129.06972	6.5
130.18080	2.0
131.08565	36.0
133.07634	3.0
133.10106	27.5
135.08023	9.1
135.11678	12.4
141.06967	2.8
142.07759	9.0
143.08565	21.3
144.09317	2.9
145.10114	38.1
147.11633	16.2
149.09615	2.5
149.13213	4.5
155.08545	6.7
156.09312	7.3
157.10112	22.5
158.10902	4.8
159.07999	7.0
159.11676	17.8
161.09628	23.9
161.13205	8.2
163.11151	5.1
163.14796	3.3
166.07701	3.1
167.08531	3.1
168.09294	4.2
169.10101	7.8
170.10938	3.3
171.08167	2.5
171.11655	16.3
173.09659	4.7
173.13260	59.7
175.11166	4.4
175.14783	10.5
179.08559	5.4
180.09288	3.2
181.10115	5.8
183.11661	8.1
185.09581	3.1
185.13272	10.7
187.11142	2.7
187.14778	7.9
189.12839	3.4
191.14294	5.6
193.10132	2.9
194.10844	5.0
195.11703	11.7
197.13260	7.2
199.11263	2.4
199.14827	8.9
201.12698	3.9
201.16322	5.0
208.12563	3.3
209.13263	17.2
211.14738	4.8
213.12727	4.9
213.16335	5.0
215.14413	3.0
221.13452	2.9
223.14871	12.2
225.05560	2.4
225.16328	7.9
227.14287	8.9
237.16246	3.4
255.21008	11.4
265.19534	29.6
283.06100	3.9
283.09561	4.9
283.20529	100.0
284.20947	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01867	7.0
55.05510	18.1
57.03440	11.5
57.07072	3.1
60.31526	2.4
64.61443	2.2
67.05503	28.6
69.07066	14.0
69.24017	25.1
71.04985	5.9
79.05494	40.3
81.03400	4.0
81.07053	31.5
81.13301	1.9
83.04969	9.2
83.08607	12.1
85.06522	3.2
89.06003	2.8
91.05471	19.5
93.07043	59.0
95.04984	15.5
95.08607	54.0
95.47107	2.1
96.37539	1.9
97.02888	3.0
97.06538	7.6
97.55659	2.2
98.20811	6.4
99.04444	7.8
103.05497	2.9
105.07044	21.3
106.12466	2.4
107.04971	13.3
107.08593	44.5
109.06512	3.5
109.10146	5.9
111.04453	5.5
115.05404	2.8
117.06998	15.7
119.08578	24.3
121.06512	11.1
121.10153	29.6
125.06011	3.4
129.06960	4.1
130.07793	5.5
131.08551	4.1
133.10118	8.1
135.08058	2.6
135.11690	68.6
143.08566	4.2
145.10127	39.4
147.08009	3.5
147.11697	2.7
149.09601	4.9
153.12730	3.9
155.08609	4.0
156.09389	2.9
157.10136	4.8
159.68590	2.2
163.11182	94.5
163.12543	5.5
164.11406	2.1
172.84555	2.5
174.42027	2.2
178.54843	2.4
179.08691	3.2
181.10219	2.6
181.12222	16.6
182.10939	2.8
183.11699	4.4
195.11690	3.0
209.13280	4.6
225.05511	2.5
227.12784	100.0
265.19452	4.5
277.87000	2.7
283.06137	6.3
283.15445	15.4
283.17526	2.2
283.20239	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31578	1.5
53.03944	3.2
55.01853	6.3
55.03138	1.5
55.05513	17.6
57.03436	12.9
57.07067	2.5
61.86858	1.4
65.03918	2.1
67.05501	32.8
69.03416	2.2
69.07070	9.5
69.87362	2.4
69.87768	6.8
71.04982	5.3
71.29076	1.6
73.02902	1.6
79.05490	38.6
81.03420	3.8
81.07059	34.2
83.04974	5.7
83.08622	10.1
91.05461	16.0
93.07041	55.3
95.04977	13.2
95.08607	53.8
97.02296	1.7
97.02885	6.8
97.06497	7.8
97.10167	2.0
98.20844	3.3
99.04481	4.0
105.07028	13.5
107.04948	15.9
107.08599	39.2
109.06517	3.7
109.10166	4.0
111.04404	3.3
111.08044	2.7
114.96194	3.0
117.07015	13.9
119.08580	14.6
121.06481	8.6
121.10139	18.6
125.05978	4.7
129.06976	1.9
129.12677	1.8
130.07738	3.0
131.08536	5.7
133.10150	8.1
135.11687	63.5
135.12720	3.7
139.07539	2.1
143.08539	2.4
145.10118	42.4
153.12729	2.4
155.08519	2.5
163.11180	91.7
168.17139	1.9
173.09608	3.1
181.12253	17.5
191.10684	3.7
209.11650	4.0
227.12781	100.0
236.56236	2.0
283.06131	4.3
283.09967	2.3
283.15390	22.0
283.20520	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50891	1.4
53.03944	3.4
55.01868	7.2
55.05509	15.8
57.03437	16.4
57.07076	1.5
63.60511	1.6
63.77776	1.4
66.39419	1.2
67.05502	29.3
69.03426	2.0
69.07064	12.4
69.10255	1.2
71.04980	4.0
71.49929	2.7
72.75244	1.3
79.05006	2.0
79.05486	41.2
81.03408	6.0
81.07059	29.6
83.04974	5.0
83.08608	12.2
89.06014	1.4
90.79055	1.4
91.05469	12.2
93.07037	54.9
95.04963	13.5
95.08602	52.3
97.02884	6.6
97.06509	4.8
99.04440	5.8
105.07021	12.5
107.04947	14.3
107.08593	37.5
109.06522	3.2
109.10143	4.0
111.04435	3.0
117.07010	16.7
119.08569	13.8
121.06519	8.4
121.07253	1.5
121.10135	21.0
125.05994	4.9
130.07806	3.7
131.08588	1.9
133.10158	2.5
135.08049	3.4
135.11685	63.8
139.07530	2.3
143.08578	2.6
145.10106	36.9
153.12758	3.1
155.08528	1.6
163.11171	87.1
164.11549	2.0
169.43561	1.5
173.09653	2.7
181.12228	15.8
209.13176	1.6
211.79759	1.4
216.33566	1.4
227.12773	100.0
228.13081	1.9
255.16072	2.0
258.86703	1.3
277.14450	1.6
283.15396	14.1
283.20435	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01875	6.3
55.05510	17.3
57.03435	14.1
57.07032	1.6
65.03915	1.6
65.07719	1.3
67.05174	1.8
67.05503	23.7
69.03426	2.4
69.06761	1.4
69.07065	11.4
71.04984	4.6
71.57859	1.6
71.58221	2.1
73.02922	2.3
79.05489	40.8
81.03398	4.2
81.07058	24.3
83.04977	7.2
83.08608	10.3
89.06022	6.3
91.05471	15.9
93.03381	1.5
93.07040	57.8
95.04971	12.8
95.08607	51.0
95.09147	1.0
97.02886	5.4
97.06516	6.6
97.10172	1.2
99.04444	7.5
103.05452	1.6
105.07023	12.4
107.04954	16.5
107.08592	38.3
109.06510	3.7
109.10140	3.9
111.04443	2.5
111.08047	2.0
117.07003	14.1
119.08559	12.6
121.06510	7.1
121.10144	20.8
125.05960	5.2
129.07019	1.8
130.07796	2.2
131.08519	2.3
133.08592	3.2
133.10104	4.7
135.08057	2.9
135.11687	62.2
139.07523	2.9
143.08493	2.3
145.06535	2.0
145.10121	33.4
153.12674	1.7
155.08545	2.3
161.09502	1.6
163.11182	88.8
164.11572	1.8
173.09598	2.3
181.12219	20.2
189.43161	1.3
191.10632	2.6
209.11674	1.9
227.12776	100.0
228.13106	4.2
255.15826	2.0
283.06088	3.0
283.15350	15.6
283.20480	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75940	3.9
53.03937	5.0
55.01862	6.7
55.05502	25.0
57.03429	21.9
57.07057	4.1
65.25282	4.1
67.05498	61.2
69.07068	18.0
70.03179	17.4
79.05498	67.1
81.03436	7.9
81.07061	74.9
83.04997	11.1
83.08618	16.9
91.05491	32.8
93.07043	100.0
95.04964	18.6
95.08604	89.3
97.02935	5.8
97.06513	8.0
97.10149	4.4
99.04465	6.3
99.08108	4.5
103.05470	5.1
105.07010	24.5
107.04971	19.2
107.08578	75.9
109.06526	8.3
109.10166	8.1
117.07003	25.3
119.08580	25.5
121.06502	6.8
121.10165	26.0
123.42813	4.7
127.46761	4.7
129.07007	6.9
131.08540	35.3
133.10095	4.8
135.11691	66.8
145.10132	52.6
147.11690	8.1
163.11177	93.2
163.14828	9.2
173.09564	4.0
173.13260	42.8
175.14771	5.1
181.12254	19.1
191.14381	15.3
213.92084	5.0
225.05527	6.7
227.12794	89.8
227.14925	6.7
254.21454	5.0
269.21048	4.1
283.06039	17.3
283.09207	4.6
283.15277	23.6
283.20728	6.9
283.28177	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01868	10.2
55.05506	23.2
56.96547	2.4
57.03432	22.3
65.03934	2.2
67.05180	2.3
67.05502	35.7
69.03411	5.8
69.07069	16.5
69.70138	11.5
71.04974	4.8
73.02910	1.6
79.05487	52.4
81.03408	6.1
81.07049	36.1
83.04972	11.7
83.08611	12.5
84.08127	1.6
85.02899	3.8
85.06530	2.1
91.05472	19.7
93.07037	63.9
94.93333	1.6
95.04967	15.9
95.08599	52.7
96.99633	1.4
97.02866	10.1
97.06535	10.2
97.07047	1.9
97.10164	1.8
99.04451	6.1
100.08880	1.4
103.05449	2.6
105.07024	16.6
107.04955	19.8
107.08585	40.9
109.06503	4.6
109.10146	4.5
111.04424	14.7
111.08067	4.3
113.06000	2.0
115.07465	1.6
117.07000	16.8
119.08575	16.5
121.02869	2.4
121.04772	1.8
121.06513	8.4
121.10136	22.9
123.04386	2.0
125.05975	3.8
130.07782	3.6
131.04869	2.5
131.08560	4.3
133.10097	3.9
135.08032	4.5
135.11681	66.9
136.30034	1.8
137.09593	1.9
139.07504	3.3
141.38118	1.7
143.08551	1.7
145.06480	2.2
145.09045	3.1
145.10107	42.3
147.04407	1.5
147.08025	2.9
153.05484	6.4
153.12656	3.5
155.08546	3.0
163.03941	1.6
163.11166	95.9
164.11565	1.8
165.09128	1.5
168.08002	1.5
169.03291	1.4
173.09608	5.2
181.12225	22.8
191.03419	1.8
191.10674	6.0
209.11719	31.6
210.12123	1.5
227.12756	100.0
228.13110	1.9
231.48270	1.6
283.05984	4.9
283.10532	2.5
283.15344	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	283.0963
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.01862	0.2
67.05486	0.2
69.23566	0.1
70.09614	0.2
71.31902	0.2
79.05448	0.2
81.07043	0.2
91.05449	0.3
93.07041	0.3
95.04970	0.4
97.43559	0.1
103.05448	0.2
105.07011	0.4
107.01313	0.3
107.04948	0.2
108.02085	0.3
118.04146	2.3
119.08695	0.2
121.05648	0.3
121.06492	3.8
121.10086	0.3
122.03622	1.6
132.05733	0.2
133.06488	0.7
135.11678	0.2
141.06944	0.5
150.03113	0.3
151.03880	1.8
152.06157	0.2
153.06975	0.3
163.11220	0.2
165.06985	0.5
168.04166	3.7
169.06473	1.8
177.05460	0.4
180.05748	0.2
181.06454	1.3
183.08038	0.5
184.08829	1.7
195.08015	0.7
196.08847	1.3
197.05966	5.0
197.09583	0.2
198.06648	0.4
208.05176	1.0
209.05936	0.6
211.07523	6.0
212.08302	3.8
214.06183	0.5
223.07397	0.2
224.08342	0.5
225.05440	1.2
227.10643	9.7
228.10950	0.2
236.04654	0.5
239.07008	3.3
240.07779	13.2
241.08083	0.4
251.07024	6.9
252.07407	0.4
253.04913	0.2
255.10182	0.3
262.91013	0.1
267.06506	9.1
268.07278	9.8
269.07526	0.2
272.25180	0.1
283.09616	100.0
284.09955	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01862	5.9
55.05511	15.6
57.03438	15.0
65.03922	1.3
67.05505	27.8
69.03419	2.1
69.07057	8.9
69.50275	1.3
70.21014	2.1
70.21429	4.0
71.04990	2.9
73.02901	1.8
75.19967	1.2
79.05492	41.0
81.03417	5.9
81.07055	31.1
83.04983	4.6
83.08617	10.9
85.06539	1.9
91.05471	14.7
93.06562	1.0
93.07040	54.0
95.04972	11.3
95.08602	55.3
97.02879	7.1
97.06534	6.4
97.10184	1.4
98.20770	1.3
99.04450	5.1
103.05509	2.2
105.07035	11.7
107.04958	15.2
107.08592	39.6
109.06519	3.7
109.10165	4.8
111.04449	3.0
111.08064	2.4
117.07005	14.0
119.08581	16.7
121.06506	8.2
121.10138	16.6
125.05998	3.1
129.07042	1.5
130.07788	4.4
131.08537	2.7
133.10117	3.7
135.08047	3.4
135.11690	66.6
139.07515	1.9
143.08623	1.7
145.06482	2.4
145.10117	40.5
153.12674	1.2
155.08578	1.6
157.35835	1.1
163.11174	86.7
164.11522	2.5
173.09602	2.7
181.12206	20.1
181.13702	1.7
185.13107	1.4
197.05873	1.2
209.11792	2.7
216.28764	1.3
225.05504	1.4
227.12779	100.0
228.13184	1.9
233.37067	1.3
235.09038	1.3
241.05409	1.4
283.06012	8.4
283.09393	2.6
283.15314	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26766	1.6
53.03936	3.6
55.01847	2.5
55.05258	2.1
55.05504	17.4
56.96556	4.1
57.03444	8.4
57.07059	4.8
65.03931	2.0
67.05502	71.9
69.03433	10.1
69.07056	11.7
70.06578	1.8
71.04977	5.2
71.08600	1.8
71.57009	3.3
71.57377	1.9
79.05489	41.8
81.03400	5.2
81.07053	52.6
83.04965	4.9
83.08601	5.6
85.06534	2.9
86.06063	14.9
87.04464	28.3
88.88786	1.5
91.05473	19.8
93.06473	2.7
93.07037	37.4
95.04972	13.9
95.08603	100.0
96.06487	1.5
96.08904	2.0
97.02909	1.4
97.06527	2.6
97.10159	1.4
98.97570	1.5
103.05460	27.9
104.06389	1.3
104.07096	32.0
105.07030	21.1
107.04942	15.4
107.08588	18.8
109.06509	6.8
109.10149	51.3
111.04472	2.0
115.82517	1.4
117.07001	5.9
119.08572	27.5
121.06487	2.7
121.10152	9.8
123.08025	7.6
125.00247	1.4
129.82381	1.6
131.04913	8.7
131.08604	1.8
133.10138	6.6
134.09637	19.2
134.99657	1.6
135.11671	15.1
137.09613	10.0
137.13338	1.8
145.10098	4.4
148.12053	2.0
149.13242	5.6
151.11214	1.6
151.14810	16.8
161.13284	9.4
163.11205	9.1
179.14297	13.6
181.12260	2.7
184.13335	2.6
191.62149	2.5
204.64467	1.4
212.12878	3.4
225.05373	3.2
227.12744	11.9
236.12886	3.1
253.05011	2.4
264.19653	2.3
282.11948	2.5
282.14935	35.9
282.20612	81.9
283.06000	7.5
283.09494	2.3
283.15259	4.3
283.21091	2.7
300.06342	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0599
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
55.01853	0.1
55.05509	0.1
57.03416	0.1
57.15004	0.1
59.46500	0.1
63.02371	0.2
64.23412	0.1
67.05479	0.4
68.99782	0.6
69.07048	0.1
71.34445	0.3
79.05472	0.4
81.07048	0.6
83.04953	0.3
85.90977	0.1
89.03375	0.1
89.03893	2.0
89.04411	0.2
91.05471	0.4
93.07018	0.4
95.04966	0.1
95.08610	0.2
103.05434	0.2
105.03385	0.2
105.06994	0.2
107.04928	0.3
107.08532	0.2
111.04433	0.5
115.05443	1.1
117.03380	0.4
117.07005	0.1
119.08581	0.2
120.75656	0.1
121.02885	0.4
121.10127	0.3
127.05435	0.1
129.07002	0.9
131.04907	0.2
133.02811	0.2
135.11702	0.3
137.02342	0.5
141.06976	7.3
145.02946	0.2
145.06461	0.3
145.10121	0.3
147.04376	0.3
149.02359	0.1
152.06171	0.4
153.06956	0.4
153.12704	0.2
155.04912	2.2
155.06036	0.3
157.06516	0.8
163.11183	0.5
168.05707	0.4
169.06474	6.1
171.08041	0.2
173.09583	0.1
181.06471	1.3
181.12167	0.2
183.04404	4.0
185.05989	0.1
191.10625	0.2
196.05170	0.4
197.05968	12.6
198.06311	0.2
199.03903	0.2
199.07516	0.4
209.05931	0.3
224.04674	1.0
225.05444	46.9
226.05798	1.3
227.06992	2.3
227.12805	0.3
228.04143	0.4
235.03835	0.1
253.04941	33.7
254.05229	0.8
255.06441	0.5
265.04962	0.3
283.05984	100.0
284.06302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
55.15883	0.3
56.96563	0.7
57.03424	0.7
60.83720	0.4
62.00410	0.3
62.01898	0.4
69.07066	3.4
71.04977	0.7
71.26740	0.7
74.06062	0.4
79.05495	0.7
87.33728	0.5
88.04038	0.5
94.04042	1.1
97.06548	1.9
110.48205	0.4
119.03537	1.8
121.08423	0.4
123.08003	0.6
129.09071	0.4
134.09644	0.5
135.60803	0.4
136.06177	100.0
137.04596	1.9
137.06543	1.2
150.07744	7.3
163.04500	0.5
172.18982	0.4
191.08417	0.7
206.11824	0.6
250.12982	22.5
251.13313	0.6
267.99899	0.8
282.15585	40.9
283.15671	1.0
284.03201	0.6
300.06223	1.8
301.06201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05504	1.7
56.05029	0.6
57.03427	0.5
67.05492	1.5
68.05013	0.7
69.03424	1.0
69.07056	0.5
70.06581	1.0
71.56220	0.4
72.08168	0.3
79.05492	2.2
80.05004	2.5
81.03402	0.6
81.07053	2.3
82.06572	0.7
83.04963	0.3
83.08623	0.4
84.04491	0.8
84.08115	0.3
85.02900	0.9
86.06080	1.4
87.04465	19.8
91.05444	1.5
93.07041	5.4
94.06558	0.7
95.04989	0.4
95.07317	0.4
95.08594	1.7
96.08131	0.9
97.02917	0.8
98.06058	2.0
98.09662	0.5
98.97550	0.3
105.07024	0.8
107.08586	2.9
108.08116	3.5
109.08916	0.3
109.10163	0.4
110.09670	2.9
114.05416	0.3
119.08537	0.4
120.08049	0.3
121.10119	1.1
122.09663	2.9
123.10435	1.1
123.11716	0.4
124.07580	0.4
124.11249	0.8
134.09651	0.4
135.11688	3.1
136.07559	0.5
136.11212	1.2
137.05943	0.8
137.13277	0.4
145.10132	0.5
149.09511	0.3
150.09200	0.3
150.12785	4.4
151.13544	0.6
152.14337	16.9
161.06017	0.8
164.10709	0.6
165.07138	0.3
166.08629	4.1
180.10205	1.2
181.10963	0.7
182.04909	0.4
184.09727	1.4
184.13338	1.4
191.10629	0.3
194.11751	3.0
195.12444	0.4
196.13306	2.7
196.17004	0.3
197.01193	0.5
208.13304	5.3
208.16756	0.2
209.11790	0.6
209.14070	1.5
210.14890	0.4
236.16431	0.8
238.18004	100.0
239.18335	3.2
240.19516	0.7
264.19556	0.3
282.17267	3.7
282.20612	61.2
283.06027	0.7
283.20865	2.4
298.13177	0.3
300.06088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.76802	0.3
57.03421	0.4
59.04993	1.3
59.84623	0.2
61.02922	1.9
67.05498	0.3
67.47007	0.2
69.49396	1.1
69.49825	1.0
71.04991	3.8
79.05489	1.3
81.07053	5.2
84.04478	0.3
87.08103	0.6
91.05491	0.4
93.07036	0.5
99.08109	0.4
105.06997	0.4
105.68961	0.2
107.08594	0.3
108.08140	0.3
109.05144	0.8
110.03506	3.1
113.09651	0.6
120.08083	0.5
121.06532	0.3
128.04555	2.7
131.04140	0.2
134.04628	0.5
135.03017	3.9
135.07979	0.4
136.01450	0.3
150.12828	0.3
152.05664	100.0
153.04068	15.4
153.06003	0.6
154.02495	0.3
166.07251	0.5
167.07097	0.3
169.03531	0.3
184.71205	0.3
207.06279	0.3
218.64693	0.3
220.13297	0.4
232.12000	0.5
238.17964	0.5
250.12976	1.9
282.15564	16.6
282.20520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1194
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01865	0.5
56.05001	0.6
57.03421	0.9
59.04993	0.8
69.03416	2.1
70.06566	0.9
71.56710	0.8
72.08129	0.6
81.04539	1.1
82.04855	0.8
82.05308	0.9
84.08108	0.5
85.02878	0.6
86.09658	0.4
87.04450	1.1
88.03958	0.8
94.04037	1.0
97.02882	0.6
101.05998	1.1
107.36504	0.4
110.07166	0.5
119.03519	1.3
122.07151	1.6
123.07942	5.6
124.07531	0.6
124.08318	4.3
129.05414	0.5
134.09657	0.7
136.06175	100.0
137.04539	1.1
147.06464	0.8
196.09637	0.5
219.08122	0.5
268.00009	0.7
282.10922	4.2
282.22156	1.1
284.03174	1.0
300.06253	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	282.1486
Annotation	Bharatamine
Peak:m/z	Relative Intensity
50.01595	0.3
51.02391	0.4
53.03936	0.6
55.01870	0.3
55.05499	0.5
56.96572	0.4
58.90867	0.2
59.77182	0.2
67.05493	0.8
68.31087	0.2
69.07062	0.5
70.06590	0.4
70.23051	1.2
77.03940	0.8
79.05489	31.7
81.03405	0.3
81.07045	1.0
87.04434	0.3
91.05463	1.4
93.07038	3.3
95.04965	2.2
95.08597	1.4
97.82235	0.2
98.97574	0.7
101.93584	0.2
103.05460	78.1
104.05799	1.0
104.07119	0.4
104.66249	0.2
105.04512	0.7
105.07030	4.0
105.08817	0.2
107.04948	35.7
107.08573	2.1
108.05323	0.5
109.10148	0.4
114.60563	0.3
115.05436	0.4
117.07024	0.7
118.06531	4.5
119.07319	4.4
119.08190	0.3
119.08566	0.4
121.06509	2.2
121.10129	0.4
125.05978	0.4
129.06949	0.3
131.04921	26.9
132.05237	0.5
132.08093	0.3
134.09644	66.0
135.10002	1.1
135.11702	0.3
148.53642	0.2
149.05969	2.7
149.13181	0.5
151.14816	0.3
161.13252	0.3
163.11128	0.5
177.00702	0.5
191.08621	0.3
219.08298	0.3
227.12767	0.8
245.41640	0.3
249.14133	0.3
263.02066	0.3
265.12326	0.3
273.15421	0.3
282.14865	100.0
283.06204	0.4
283.15149	3.3
300.05853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01874	5.9
55.05508	39.8
57.03431	31.9
57.07063	4.9
65.03933	4.7
67.05502	91.8
69.03407	4.3
69.07058	19.7
70.59421	5.5
71.04990	4.1
71.08633	2.1
79.05489	100.0
81.03422	11.2
81.07052	69.4
83.04979	31.1
83.08607	9.6
85.02908	3.5
85.06544	4.3
86.67760	2.1
91.05467	68.1
91.06014	4.0
93.07034	72.0
95.04969	28.4
95.08606	48.0
95.09170	4.0
97.06526	8.2
97.10183	6.2
98.21426	2.1
99.08095	2.6
103.28214	2.3
105.07024	53.7
105.07689	4.0
107.04959	6.2
107.08604	20.1
109.06508	8.2
109.10178	11.0
113.09738	2.5
117.07037	10.4
119.08586	30.6
121.06454	3.1
121.10152	7.7
123.08054	13.3
128.06236	3.9
129.07016	18.9
131.08560	3.7
133.10126	15.3
135.11700	4.6
137.13171	2.9
143.08543	11.6
145.10088	12.3
147.08038	5.2
147.11688	40.8
159.11723	2.6
161.09610	6.1
161.13228	16.0
163.11188	2.2
171.11671	25.7
182.88696	2.4
189.12720	11.7
207.13904	10.3
263.18491	2.8
266.99875	2.6
281.17419	19.7
281.22446	2.9
299.06229	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	281.2476
Annotation	Chaulmoogric acid
Peak:m/z	Relative Intensity
53.03930	2.2
55.01870	15.1
55.05507	21.6
56.96545	3.2
57.03420	2.3
57.07069	6.7
65.03928	3.1
67.05501	83.5
69.03418	2.9
69.07065	31.7
70.06568	1.0
71.04988	71.3
71.08613	1.6
71.57202	1.0
72.08157	1.6
73.43665	1.0
79.05486	53.4
81.07050	100.0
83.04968	4.1
83.08611	11.4
85.06539	11.4
91.05466	23.5
93.07037	56.3
93.07632	2.4
95.04954	4.6
95.08599	74.6
97.02872	1.1
97.06522	39.6
97.10181	7.1
99.08077	2.4
103.05405	1.1
105.04480	1.4
105.07019	17.0
107.08590	33.0
109.06515	3.4
109.10152	29.1
111.08060	6.8
111.11665	1.6
116.98621	1.7
119.08566	10.0
121.10132	67.7
123.11703	15.8
125.09623	2.2
131.08580	1.6
133.10104	9.6
134.99649	1.8
135.11684	34.1
137.06081	1.5
137.09630	1.5
137.13252	3.3
139.11194	5.8
145.10194	1.8
147.11713	5.7
149.13239	15.3
151.11232	1.1
161.13257	5.9
163.14775	7.1
174.03041	1.0
175.14845	4.2
177.00687	1.5
185.15384	1.1
189.12650	1.2
189.16370	2.9
199.16974	2.5
207.06520	4.0
213.18456	8.8
219.20988	1.2
245.22668	4.0
263.23709	18.2
266.99976	1.7
281.11362	1.1
281.19391	1.8
281.24768	34.3
299.06195	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01862	7.3
55.05503	29.1
56.96558	17.2
56.98911	2.1
57.03437	28.6
57.07055	7.1
65.03930	6.6
67.05502	85.2
69.03415	9.9
69.07069	23.8
69.89214	12.2
71.04975	7.9
72.08130	3.1
73.06552	3.8
78.51656	2.0
79.05490	100.0
81.03419	11.3
81.07050	73.6
81.73924	1.9
83.04975	25.1
83.08608	12.8
85.02897	5.2
85.06528	7.9
91.05462	58.6
93.07040	67.8
93.07625	3.6
95.04953	34.5
95.08601	50.1
97.02895	3.2
97.06545	9.6
97.10154	9.2
98.97562	4.9
99.08094	3.3
103.05447	3.4
105.04498	2.4
105.07019	49.8
107.04951	3.5
107.08595	23.0
109.06492	10.3
109.10162	13.3
111.08054	2.8
115.05451	3.4
116.98651	6.9
117.07030	12.5
118.04122	2.2
118.06487	2.2
119.08586	32.5
121.06512	5.6
121.10149	12.5
123.04418	23.7
123.08028	10.3
123.11739	4.3
124.04738	6.1
128.06235	3.3
129.06998	15.6
131.08586	4.6
133.06465	2.3
133.10124	14.1
134.99727	10.1
135.08047	5.6
135.11688	5.7
137.05966	12.2
137.09531	2.4
138.06302	6.1
143.08502	9.6
144.08061	3.4
145.10150	9.8
146.06058	3.8
146.99684	2.7
147.08012	5.7
147.11671	34.5
149.13245	2.7
158.99643	2.4
161.01213	2.6
161.06013	3.5
161.09625	8.3
161.13263	13.8
163.07674	2.3
171.11671	24.0
172.07600	3.8
177.00710	3.4
181.05026	2.9
182.12199	1.8
183.11678	2.8
189.12717	9.7
192.04234	3.3
193.08737	3.1
199.61436	2.1
207.06523	10.3
207.13805	8.3
209.10732	5.2
210.11559	3.2
221.08234	2.9
225.04356	2.5
225.13893	3.7
237.10181	2.4
244.22006	2.1
253.13382	4.9
259.09924	4.0
266.99728	2.9
281.04514	3.8
281.12741	9.3
281.17386	19.6
281.21954	2.9
283.03024	3.0
299.06238	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02352	1.3
53.03941	9.0
55.01855	4.6
55.05509	38.9
57.03434	32.0
57.07071	2.6
59.04987	1.1
65.03943	5.5
67.05501	94.5
67.40282	1.1
69.03426	3.3
69.07062	18.6
69.93751	5.8
71.04967	2.9
73.06541	2.8
77.03922	1.3
79.05488	100.0
81.03411	10.8
81.07051	68.2
82.07388	1.5
83.04977	32.5
83.08601	10.3
85.02893	1.2
85.06528	2.6
91.04893	2.2
91.05474	70.2
93.07038	71.8
95.04963	33.3
95.08601	42.0
97.02833	1.2
97.06509	6.1
97.10151	5.0
98.21622	1.3
103.05452	2.2
105.04507	1.6
105.07020	49.0
106.07342	1.5
107.04955	6.0
107.08588	19.6
109.06519	9.9
109.10159	9.9
111.08083	1.7
112.97669	1.1
113.05975	1.1
114.09209	1.1
115.05445	1.7
117.07017	10.7
119.08579	32.1
121.06489	2.9
121.10143	7.3
123.08076	9.4
127.07480	2.2
128.06242	3.6
129.06998	19.0
131.08554	4.0
133.06477	1.6
133.10135	16.0
135.11664	2.9
141.06944	1.4
143.08551	9.8
145.10098	11.2
147.08032	3.3
147.11673	36.1
147.83223	1.4
159.06613	1.0
159.11693	3.0
161.09592	5.6
161.13239	14.4
163.11087	1.9
171.11678	26.2
189.12743	9.2
207.06551	2.0
207.13817	9.3
281.14789	1.1
281.17487	20.7
281.22253	1.5
299.06232	1.4
300.10873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.01865	4.5
55.05271	2.0
55.05513	35.5
56.96561	3.5
57.03435	32.2
57.07061	3.2
65.03931	6.1
67.05502	90.2
69.03429	2.7
69.07067	17.1
71.04981	4.8
71.57100	2.9
72.08150	23.0
79.05492	100.0
80.04993	2.8
81.03413	10.7
81.07052	68.4
83.04978	35.7
83.08621	9.2
85.02875	1.9
85.06543	4.7
91.04897	2.8
91.05473	64.2
93.07040	68.8
95.04970	28.9
95.08605	47.2
97.06522	6.3
97.10151	5.4
99.08086	2.5
105.04489	2.5
105.07024	49.7
107.04939	5.1
107.08597	19.5
109.06484	9.7
109.10136	9.8
111.08023	1.9
115.05435	2.5
117.07026	11.8
119.08571	29.8
121.06506	2.2
121.10136	5.8
122.09649	5.3
122.94136	2.0
123.08051	10.4
125.09582	2.0
127.07574	3.5
128.06259	3.6
129.06993	14.9
131.08559	4.6
133.06415	2.1
133.10091	13.8
133.10840	1.5
134.09683	2.2
135.11604	1.7
143.08572	9.8
145.10112	13.9
147.08025	4.1
147.11678	39.9
148.12057	2.2
155.08441	1.7
156.09308	2.8
161.09660	4.4
161.13251	14.2
167.00487	1.8
171.11662	26.5
175.04398	6.6
180.29443	1.7
189.12773	8.9
192.13800	2.4
206.18620	2.0
207.06569	3.1
207.13855	10.4
210.14885	6.6
245.30562	1.8
246.18716	2.6
253.02429	1.8
264.19592	11.5
267.00000	2.3
267.28516	2.1
281.07834	2.3
281.17352	19.9
281.22006	12.8
299.06223	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10295	2.4
51.79418	2.5
52.95487	3.1
53.03934	10.4
53.91271	2.7
54.29556	2.6
55.01862	5.4
55.05511	34.8
57.03435	30.6
57.07057	4.9
59.79611	2.8
65.03932	5.0
67.05502	79.8
69.03415	4.6
69.07072	18.7
69.60518	14.9
69.60928	4.2
70.06589	4.3
71.04985	6.3
71.08620	3.4
79.05490	100.0
81.03405	20.4
81.07050	68.0
83.04975	35.6
83.08609	12.7
85.06571	2.6
91.05468	66.9
93.06474	6.1
93.07040	77.0
95.04960	31.0
95.08604	48.9
97.06536	10.1
97.10174	7.9
105.07025	56.2
107.04940	10.3
107.08573	23.4
108.53201	2.9
109.06519	10.3
109.10147	14.6
111.04462	3.1
111.08060	4.1
117.07008	9.7
119.08585	34.5
121.10126	5.7
123.08064	8.1
128.06200	2.9
128.23306	3.8
129.06996	20.0
131.08557	6.6
133.10144	14.0
135.11699	7.0
135.77913	2.6
137.05937	3.6
143.08580	11.8
145.10072	13.6
147.08017	5.4
147.11690	35.4
157.06500	2.8
161.09615	8.9
161.13257	15.0
165.09077	5.0
171.11674	24.1
189.12743	4.9
207.13750	6.4
207.60870	2.8
260.56229	2.7
263.16422	7.7
281.11761	7.5
281.17398	36.3
281.22357	4.6
283.03094	5.1
299.06161	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03948	8.0
55.01866	7.3
55.05513	37.2
57.03439	21.9
57.07067	3.0
65.03945	3.2
65.61442	2.0
67.05504	83.6
68.05886	1.8
68.42350	1.8
69.03442	3.7
69.07063	19.0
69.32743	16.4
69.33148	4.5
70.06579	2.5
71.04983	6.8
73.06564	2.5
79.05492	100.0
81.03410	16.2
81.07053	59.7
83.04980	32.3
83.08646	10.0
85.06556	3.4
91.05470	70.4
91.06010	4.5
93.07044	67.9
95.04964	30.5
95.08608	40.2
97.06535	8.0
97.10165	5.8
105.04522	2.2
105.07032	47.8
107.04951	11.0
107.08598	25.5
109.06533	9.7
109.10155	7.2
117.06980	12.8
119.08588	29.4
121.06518	5.8
121.10146	8.6
123.08082	10.9
128.06189	2.9
129.07025	22.7
131.08514	3.9
133.06471	2.1
133.10114	13.2
135.08104	3.1
135.11700	3.9
143.08557	10.3
145.10144	12.7
147.08098	4.9
147.11673	37.1
156.09285	2.1
161.09616	5.1
161.13237	10.3
165.09105	4.0
171.11681	26.0
189.12721	7.2
207.13806	8.6
263.16458	7.6
281.17407	34.8
281.22467	2.7
299.06323	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	280.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05520	0.3
67.05500	0.5
68.84959	0.3
69.29834	3.5
69.55766	0.4
79.05488	9.4
81.07043	0.8
93.07048	0.7
95.04971	2.1
98.20621	0.6
103.05465	6.5
105.07025	100.0
106.07349	0.9
107.08578	0.3
111.27686	0.3
118.06559	1.2
119.71095	0.3
149.02370	1.1
150.02686	0.8
176.14340	6.0
180.52141	0.3
190.67923	0.3
196.60146	0.3
220.39043	0.3
236.14264	0.5
266.99936	0.4
280.20578	77.2
281.20953	2.0
299.06180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.05506	7.5
57.07074	2.0
65.03951	3.5
67.05499	100.0
68.05830	0.7
69.07065	7.5
69.23705	6.9
79.05492	10.4
81.07051	95.5
82.07394	1.2
83.04976	1.0
83.08635	3.5
91.05475	2.1
93.07038	8.3
95.04964	1.0
95.08599	72.3
97.06500	1.2
97.10177	2.8
105.07002	1.6
105.95044	0.7
107.08588	4.7
109.06468	0.9
109.10148	42.6
111.11736	0.9
112.45007	0.7
113.05984	0.7
117.07006	1.3
119.08579	2.0
121.10123	5.8
123.08051	1.1
123.11697	25.1
131.08580	2.5
133.10133	2.8
135.11687	3.4
137.13245	9.4
142.73811	0.7
145.10136	2.3
147.11688	1.8
149.09613	1.0
149.13258	3.0
151.11230	1.2
151.14822	2.6
159.11705	2.1
161.13264	1.9
163.11133	1.5
163.14786	1.5
167.10771	0.8
173.13184	3.5
177.12761	1.1
181.12225	1.0
187.14838	2.7
195.13795	1.9
201.16415	0.7
205.15845	0.8
209.15379	2.2
223.16968	1.8
237.18443	1.3
243.21141	1.0
261.22125	2.9
279.23166	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
52.68715	0.2
53.03942	1.0
55.05492	0.2
58.08607	0.1
67.05493	0.6
71.18514	0.2
71.18843	0.2
77.03931	0.2
79.05489	9.8
81.07043	0.4
83.04987	0.2
91.05472	0.3
93.07031	0.3
95.04983	2.2
103.05466	7.3
105.07024	100.0
106.07350	0.8
118.06529	1.2
119.08570	0.3
132.08041	0.3
133.08884	0.2
137.50540	0.2
146.09665	0.5
147.11646	0.2
150.02670	0.2
160.11229	0.2
161.13277	0.2
176.12823	0.4
176.14343	5.7
235.04005	0.2
236.14320	0.4
237.15099	0.2
253.05080	0.3
257.98468	0.2
277.86838	0.2
280.20584	77.1
281.04434	1.9
281.20877	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.01867	1.3
55.05509	8.8
57.03429	1.4
57.07057	2.3
60.95855	0.8
65.03931	2.5
67.05502	100.0
69.07066	10.2
70.10191	0.7
70.96599	1.8
71.04984	1.8
72.15089	0.9
79.05487	15.6
81.07056	94.6
82.07379	1.0
83.04989	1.2
83.08616	5.1
85.06534	1.5
91.05474	5.4
93.07043	15.4
95.04951	1.9
95.08603	76.6
97.06540	1.9
97.10154	2.8
105.07038	4.6
107.08583	7.9
108.04539	0.9
109.10154	42.3
110.10476	1.1
111.08047	0.9
115.03028	0.8
117.07012	1.0
119.08559	3.9
121.10141	7.7
123.08088	2.0
123.11704	20.5
131.08582	4.1
133.10114	3.6
135.08043	1.1
135.11685	6.1
137.09647	1.2
137.13246	9.3
145.10083	2.3
147.11717	1.8
149.02379	3.0
149.09715	1.9
149.13257	2.5
151.11183	1.0
151.14795	2.2
159.11716	2.7
161.13245	1.4
163.11162	1.8
163.14809	1.9
165.12843	1.0
173.13271	2.6
177.12761	1.8
177.16423	1.1
181.12230	1.7
187.14792	2.5
191.14398	1.0
195.13847	1.3
205.65692	0.8
209.15381	1.4
219.21068	1.5
223.16858	2.7
237.18530	1.1
243.21022	2.4
261.22137	3.7
279.20279	0.8
279.23190	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.03781	0.7
53.03940	2.1
55.05505	11.7
57.03436	2.1
57.07072	6.0
65.03929	3.9
67.05502	94.7
68.05835	1.1
69.03434	0.8
69.07067	14.7
69.92689	0.7
70.14104	2.5
71.04983	1.6
71.08624	0.9
79.05489	17.5
80.05833	0.8
80.22939	0.8
81.03425	1.6
81.07052	100.0
82.07365	1.7
83.04990	1.6
83.08614	7.4
85.05818	0.8
85.06548	2.1
89.54272	0.7
91.05472	9.2
93.07041	18.7
93.07618	1.0
94.07339	1.0
94.73841	0.7
95.04959	1.7
95.08601	79.9
96.08948	1.3
97.06516	2.0
97.10174	3.4
98.20719	0.9
101.06026	1.0
105.07033	7.2
107.04951	1.0
107.08583	11.7
109.06514	1.6
109.10149	46.5
110.10484	1.0
111.07996	1.0
111.11729	1.4
117.07021	2.3
119.08581	5.1
121.02898	1.9
121.10143	11.1
123.08096	1.3
123.11703	22.9
123.12585	1.3
131.08536	5.9
133.10120	5.3
135.08109	1.0
135.11676	7.2
137.09593	1.9
137.13255	8.3
145.10141	4.4
147.11690	3.2
149.02341	25.2
149.03505	1.6
149.09634	2.4
149.13271	3.4
151.11198	1.5
151.14861	2.4
157.10126	1.0
159.11679	3.8
161.13269	3.4
163.11195	1.8
163.14830	2.1
165.12762	1.2
165.16452	1.1
167.03462	0.9
167.10779	1.5
173.13277	3.2
175.14804	1.5
177.12796	1.5
177.16435	1.6
179.14328	0.9
181.12268	1.6
187.11258	0.9
187.14775	4.1
191.14345	1.2
195.13797	3.5
201.16484	0.9
209.13525	1.1
209.15471	2.7
219.05757	2.3
219.21118	1.3
223.16960	2.7
233.91335	0.7
237.18512	1.0
243.21082	4.3
261.22229	4.2
275.33124	0.7
279.09351	1.7
279.15948	5.0
279.19833	2.5
279.23190	23.4
280.23529	0.9
280.26315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03934	0.8
55.01868	0.8
55.05507	8.2
57.01514	0.7
57.07075	2.2
65.03938	2.3
67.05501	100.0
67.08546	0.6
69.07067	7.9
70.02712	2.9
71.04974	1.3
79.05489	12.3
81.07053	95.5
82.07362	0.9
83.04999	0.9
83.08602	4.6
85.06535	1.3
85.10184	0.8
85.78591	0.7
91.05474	4.4
93.07041	12.3
95.08601	70.7
96.08912	1.0
97.06547	1.4
97.10162	2.2
98.46687	0.6
105.07025	2.6
107.08578	8.3
109.06501	1.1
109.10152	25.3
111.08040	1.1
111.11740	1.0
117.07037	1.6
119.08569	2.9
121.10132	5.5
123.08051	1.2
123.11705	12.0
131.08551	4.8
133.10130	2.7
135.08028	1.0
135.11720	5.1
137.13252	7.9
145.10077	3.0
147.11642	2.5
149.02348	2.3
149.09555	1.7
149.13245	3.1
151.11217	0.8
151.14803	2.6
152.59178	0.6
159.11636	3.7
161.13193	0.9
163.11214	1.7
163.14796	1.7
172.55644	0.7
173.13264	4.3
177.12708	1.0
179.14313	0.8
181.12221	1.2
187.14827	2.3
191.14259	1.3
195.13777	2.1
209.15314	2.3
223.16850	2.7
243.21098	1.6
261.22061	0.9
266.98026	0.7
279.20370	1.0
279.23169	14.1
280.23666	0.7
280.56073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03947	1.7
54.33693	0.6
55.05507	8.5
57.03441	1.2
57.07067	2.6
65.03940	2.2
65.71728	0.6
67.05499	100.0
68.05831	1.3
69.07063	11.2
69.36405	5.3
69.36822	0.9
71.04992	1.6
79.05488	14.0
81.07051	95.9
82.07378	1.0
83.04961	0.8
83.08604	6.0
85.06549	1.3
91.05481	5.3
93.07037	13.4
95.04958	1.0
95.08601	78.2
96.08933	0.9
97.06516	1.2
97.10166	2.1
98.20739	0.7
105.07011	3.3
107.08586	9.4
109.06503	0.8
109.10146	46.3
111.08119	1.0
111.11684	0.7
117.07000	1.9
119.08540	4.0
121.06521	0.7
121.10131	7.9
123.08080	1.4
123.11696	22.5
125.09676	0.7
131.07748	0.7
131.08534	3.7
133.10103	2.7
134.90327	0.6
135.11655	5.1
137.09599	2.0
137.13237	9.3
145.10101	3.6
147.11684	2.3
148.74272	0.6
149.02321	4.6
149.09628	2.1
149.13252	3.5
151.11217	1.1
151.14798	2.3
159.11702	2.6
161.13214	1.6
163.11162	1.4
163.14818	2.3
165.12735	1.3
165.16417	0.7
167.10681	1.1
173.13242	3.3
175.14758	1.0
177.12785	2.0
177.16397	0.7
181.12257	1.2
187.14790	2.1
191.14282	1.1
191.71413	0.6
195.13748	1.8
201.16328	1.0
205.15903	0.9
209.15337	2.8
219.21109	0.8
223.16867	2.2
243.21075	2.5
261.22073	2.6
279.19958	1.5
279.23163	26.6
284.89413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Leu Phe
Peak:m/z	Relative Intensity
56.29818	0.4
60.39379	0.4
63.95071	0.4
67.15121	0.3
69.07058	0.8
72.04486	0.4
86.09701	100.0
87.10038	0.8
91.05466	0.5
93.07043	1.0
95.08593	0.7
100.81876	0.4
101.80210	0.4
103.05470	3.1
120.08098	52.5
121.08443	1.4
149.02322	5.3
149.06061	0.5
159.64417	0.4
166.08630	9.2
166.09947	0.8
176.36850	0.6
215.57712	0.4
224.78909	0.4
230.37802	0.6
233.16478	1.0
279.08871	0.9
279.16995	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85089	0.4
52.25339	0.5
55.68312	0.3
57.05805	0.7
57.07074	1.2
67.05471	0.4
69.07061	14.4
70.83427	0.7
70.83764	0.5
71.73473	0.4
79.05495	0.9
81.07046	0.5
84.04478	0.5
86.09697	100.0
87.10034	0.9
91.05453	0.7
93.07047	0.5
95.08598	0.5
95.48006	0.4
98.21353	0.4
98.30030	0.4
103.05458	0.5
105.07024	0.9
120.08086	10.2
121.02913	0.6
131.04990	0.5
131.08521	0.4
145.06551	0.4
147.04359	0.5
149.02325	5.3
166.08626	5.4
210.07632	0.6
234.18549	0.7
279.09344	0.6
279.17139	1.7
279.20743	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	279.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
55.05509	33.5
56.05035	2.2
56.96558	1.8
57.07078	6.6
58.99583	20.6
59.84581	1.2
67.05502	4.2
69.07073	2.0
70.06580	4.1
70.09266	7.1
72.08161	1.6
73.01123	1.9
74.06062	1.9
76.02232	6.0
76.04000	2.3
79.05468	1.8
81.07037	5.7
83.04978	1.2
83.08145	2.0
83.08616	29.6
83.09737	1.3
84.04478	1.5
84.08096	2.3
85.44408	1.3
86.09710	4.0
86.99055	18.5
87.04445	2.8
88.02209	5.7
91.05482	4.1
93.07059	1.7
95.04957	2.0
95.08590	3.5
97.06518	1.4
98.21453	1.7
103.05467	1.4
105.07072	2.9
109.10171	1.5
111.04465	1.6
116.01674	62.1
116.98615	1.9
117.06998	2.0
119.04963	7.9
120.08096	1.5
121.02872	3.0
123.04437	2.1
123.11668	1.5
131.04944	2.1
133.06528	2.4
134.99672	1.4
144.01140	30.0
144.02209	2.6
145.06476	5.8
146.99591	1.5
147.04402	24.4
149.02335	46.3
150.02608	1.5
157.06418	2.3
159.08380	6.7
161.05994	2.6
162.02193	100.0
167.03493	1.5
173.06010	3.5
177.00739	2.2
177.05484	1.8
187.07545	1.5
189.05405	1.4
191.08524	1.6
197.05978	2.1
199.07538	1.3
201.05528	2.5
215.13864	1.8
219.06308	2.3
220.05577	1.6
234.11382	1.3
244.10059	1.8
261.07608	2.1
262.11057	12.6
279.08865	4.1
279.13376	3.2
279.17728	6.5
298.57367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1747
Annotation	8alpha-Hydroxylycothunine
Peak:m/z	Relative Intensity
53.03951	1.3
55.05505	10.3
56.05836	1.8
57.02905	1.1
57.03428	10.8
57.07056	2.9
67.05502	8.3
68.05811	2.0
69.03406	2.8
69.07053	3.7
71.04986	1.1
71.58231	1.9
79.05482	9.0
80.04993	3.0
80.05798	4.0
80.77441	1.0
81.07054	7.6
82.06557	3.2
82.07357	1.6
82.35379	1.1
84.51492	1.2
87.04456	26.7
91.05465	6.2
92.05799	1.2
93.05762	1.7
93.07041	11.2
94.06560	21.9
94.07365	5.2
95.04943	2.8
95.07335	2.1
95.08601	6.3
96.08883	1.4
105.07007	5.6
106.06548	3.3
106.07300	2.1
107.07352	2.3
107.08597	5.4
108.08090	3.0
108.08899	4.0
109.06533	1.3
109.10104	1.9
116.53638	1.0
117.06998	1.9
118.07346	1.5
119.07254	1.6
119.08565	4.8
120.08083	8.6
121.10128	4.2
122.09634	9.1
122.10461	2.8
131.08583	1.3
132.08060	2.9
133.10086	1.9
133.92137	1.2
134.09622	10.2
134.10497	1.9
135.11684	2.7
136.07573	3.7
136.11198	9.3
136.12068	1.9
138.09164	1.5
145.08830	1.5
146.09592	2.0
147.10492	1.1
147.11668	2.3
148.07556	6.7
148.11151	2.6
149.02336	8.0
149.08354	6.4
149.13171	1.6
150.09120	15.7
150.13582	1.8
158.09590	2.0
160.11208	7.0
161.08379	3.1
162.09117	21.3
162.12708	2.6
166.08621	3.5
170.09572	2.1
174.09216	2.1
174.12730	2.1
176.10709	2.3
178.08646	1.5
180.10153	9.0
186.12796	1.2
188.10684	10.5
190.12262	27.9
192.10158	3.2
192.13921	3.6
200.10629	1.5
202.12088	1.2
203.12956	1.6
204.13785	5.7
206.11752	46.4
208.13304	10.1
214.15762	1.9
217.28624	1.3
218.11743	34.9
221.13860	1.2
222.14880	12.3
232.21385	1.2
232.58670	1.2
236.12798	21.7
236.17018	1.9
242.15419	6.4
250.18112	1.4
260.16461	34.9
260.20715	2.6
278.17496	100.0
278.22025	10.6
278.24759	6.1
279.17752	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03941	5.2
55.01875	6.8
55.05508	26.6
57.03418	2.8
57.07081	5.0
65.03931	2.8
66.96489	0.9
67.05501	44.7
69.03426	1.6
69.07069	24.3
70.87086	1.5
70.87428	1.9
71.04984	4.4
71.08597	1.1
79.05489	70.9
80.91225	1.0
81.03413	2.4
81.07052	54.3
83.04979	5.3
83.08616	13.4
85.06532	3.0
91.05476	36.1
93.07038	100.0
95.04958	11.6
95.08601	43.5
97.06545	7.4
97.10180	5.1
99.08069	1.4
105.04517	1.4
105.07027	22.3
107.04969	1.5
107.08587	53.2
109.06478	5.5
109.10147	15.2
111.08099	5.3
117.06997	3.5
119.07785	1.7
119.08576	17.4
121.10139	47.8
123.08064	4.7
123.11694	5.0
125.09631	4.5
129.07002	2.2
131.08572	8.6
133.10129	16.5
135.08047	2.4
135.11685	46.7
137.09625	2.0
139.11180	2.4
143.08560	3.5
145.10112	5.1
147.08018	1.6
147.11678	12.7
149.02347	1.1
149.09604	3.1
149.13252	23.6
151.11195	3.7
157.10139	3.0
159.11697	4.2
161.13272	6.3
163.11148	3.1
163.14832	4.8
165.12737	3.8
171.11676	3.4
173.13260	3.0
175.11137	2.0
175.14813	3.6
177.12816	1.8
179.14246	1.1
181.12238	2.1
185.13242	2.0
187.14795	1.1
189.12793	2.6
191.14308	1.2
193.12398	1.2
195.13831	2.4
199.14822	1.5
203.14375	1.1
207.13789	1.4
221.15361	3.2
226.84937	1.1
231.20874	1.3
235.16959	6.5
241.19487	4.2
249.22105	1.1
259.20581	8.1
259.88834	1.1
277.21616	83.3
278.21875	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03932	2.6
53.45296	0.8
55.01857	1.1
55.05512	10.6
56.96559	1.7
57.03423	1.0
57.07066	2.7
63.56804	1.0
65.03936	2.8
67.05504	58.0
69.07058	8.7
69.55865	5.3
69.56274	2.4
70.29748	1.0
71.04982	2.2
71.71543	0.9
77.03939	1.3
79.05493	62.0
81.06586	1.8
81.07055	36.5
83.04966	2.9
83.08626	5.8
85.06520	1.5
91.05482	13.8
93.07043	70.9
93.45692	1.0
95.04987	5.1
95.08604	23.1
97.06534	2.5
97.10148	2.3
105.04490	1.1
105.07045	7.8
107.08594	29.8
109.06483	1.9
109.10153	7.1
117.07019	1.8
119.08583	7.5
120.08096	1.2
121.06509	1.6
121.10143	100.0
122.10435	1.1
123.08057	1.5
123.11700	2.8
125.09639	1.6
129.06998	1.2
131.08554	4.2
133.10123	9.2
135.08162	1.0
135.11690	58.5
137.09648	1.5
143.08595	1.7
145.10129	3.1
147.11716	4.8
149.02370	1.3
149.09618	1.9
149.13260	11.6
151.03836	1.8
159.11661	4.5
161.13261	2.5
163.11162	2.7
163.14868	1.7
171.11633	2.0
173.13243	1.7
175.14847	1.1
177.12747	3.0
181.12256	3.0
185.13297	1.3
195.13770	4.3
196.68187	0.9
235.16937	3.1
241.19482	2.3
259.20541	3.8
277.18451	3.4
277.21609	86.7
277.75684	0.9
278.21729	2.6
278.54471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	4.6
54.00158	1.2
55.01866	2.1
55.05513	19.0
57.03428	3.2
57.07078	10.2
65.03920	1.9
65.68538	1.3
67.05507	41.0
69.07066	18.4
69.93456	7.1
71.04994	2.6
71.08632	17.8
76.63734	1.5
79.05494	72.7
81.03404	4.3
81.07056	56.0
83.04984	4.7
83.08613	9.3
85.06554	3.1
91.05482	30.8
93.07043	100.0
95.04967	12.4
95.08611	37.8
97.06512	4.8
97.10163	4.0
99.08106	13.2
104.98389	1.5
105.07028	20.6
107.04961	3.8
107.08598	52.9
109.06527	3.2
109.10154	9.4
111.08093	1.6
113.06007	1.5
117.07043	4.7
119.08574	13.0
121.10146	46.6
123.08042	2.9
123.11710	2.6
125.09614	1.7
129.07011	1.7
131.08574	5.5
133.10115	8.0
135.11691	52.1
136.12109	1.6
137.09642	2.9
141.09079	2.0
143.08575	1.9
145.10150	5.3
147.04317	1.5
147.11679	5.5
149.09781	1.5
149.13274	13.8
151.11194	9.0
157.10204	2.0
159.11699	5.2
161.09616	2.4
161.13309	7.7
163.11165	4.9
163.14825	3.9
167.10670	2.8
171.11693	1.9
173.13275	1.8
175.14856	2.1
177.12820	3.0
179.10660	4.7
179.14287	15.6
185.13269	2.1
187.14906	3.2
195.13794	1.8
207.13779	1.9
212.38911	1.4
221.15425	3.5
235.16934	15.5
241.19502	2.0
259.20615	5.8
263.36865	1.4
277.18106	13.2
277.21652	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02343	1.1
51.95614	1.2
53.03931	3.8
55.01887	1.3
55.05510	18.4
55.99606	1.2
57.07059	2.2
64.86962	1.1
65.03940	1.1
67.05500	31.9
69.07064	13.2
69.72826	1.1
69.86569	6.7
71.04988	2.9
76.37382	1.2
77.03907	1.8
79.05489	77.7
81.06589	2.2
81.07050	36.3
83.04987	1.4
83.08612	6.3
85.06536	1.4
88.50333	1.2
89.48403	1.2
91.05475	28.4
93.07038	100.0
94.07375	1.7
95.04979	9.6
95.08603	23.1
97.06506	1.4
97.10154	3.4
98.20839	1.4
105.04494	2.3
105.07027	16.7
107.08584	43.4
109.06497	2.7
109.10142	10.2
117.07007	3.7
119.08595	7.1
119.09369	1.0
121.10136	35.9
122.10445	1.3
123.11643	1.8
129.07007	1.9
131.08582	4.1
133.10133	9.0
135.11685	43.5
135.65919	1.3
143.08557	1.4
145.10104	2.8
147.11703	6.8
149.13248	21.2
157.10135	1.5
159.11667	2.4
161.13237	5.3
163.14868	7.1
171.11737	1.3
173.13239	1.6
175.14833	2.2
178.09183	1.3
185.13264	2.7
217.15855	1.3
219.80762	1.2
221.15286	4.3
235.16905	3.6
238.69324	1.3
241.19638	2.2
259.20560	3.7
277.21591	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80539	1.0
53.03933	4.9
55.05271	1.4
55.05513	17.2
57.07079	2.0
59.04987	1.2
60.44645	1.1
61.88771	1.3
65.03925	1.6
67.05505	35.0
69.07076	12.2
69.86579	4.5
69.86987	2.5
71.04976	1.8
79.05492	75.5
81.06581	2.2
81.07053	36.4
83.04960	1.6
83.08602	8.5
85.06530	2.6
91.05482	25.8
93.07043	100.0
95.04963	9.5
95.08611	22.7
97.06512	1.3
97.10172	3.2
97.41990	1.1
98.20815	1.7
105.04485	1.9
105.07028	15.6
107.08595	51.8
109.06542	2.2
109.10145	13.8
117.07013	2.7
119.08579	11.1
121.10143	38.4
123.08054	1.7
123.11691	2.5
125.09612	1.4
131.08571	4.5
133.10130	9.4
135.11697	51.1
143.08569	1.5
145.10129	2.6
147.11694	6.4
149.09657	1.4
149.13254	21.5
157.10068	1.3
159.11687	3.3
161.13240	1.7
163.14803	5.6
171.11719	2.3
175.14806	2.8
185.13278	1.2
195.13870	1.9
203.14345	1.2
205.29640	1.2
207.13866	1.4
213.16505	1.5
221.15482	2.7
235.16936	3.4
259.20554	2.8
277.21634	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03924	4.7
55.01852	4.3
55.05508	19.3
55.49912	1.0
57.07074	2.5
65.03926	2.2
67.05500	36.5
69.03429	1.7
69.07066	17.4
69.47056	10.9
71.04977	3.8
71.08633	1.4
79.05488	77.5
81.06584	2.5
81.07052	39.9
83.04951	2.7
83.08608	7.8
84.50806	1.3
85.02869	1.2
85.06551	1.6
91.05474	33.4
93.07037	100.0
94.07383	1.2
95.04963	11.5
95.08601	30.2
97.06510	2.6
97.10165	3.6
105.04528	2.2
105.07018	16.8
106.09865	1.2
107.07870	2.9
107.08588	49.2
109.06494	3.0
109.10140	14.1
110.06812	1.3
111.08087	3.6
117.06993	3.8
119.08573	11.6
121.10135	43.4
122.10429	1.3
123.08073	2.0
123.11700	4.6
125.09586	1.6
131.08542	4.4
133.10118	13.8
135.11682	48.7
137.13268	1.9
143.08549	2.3
145.10088	6.2
147.11722	8.8
149.09586	2.7
149.13249	19.7
151.11113	1.4
159.11708	3.8
161.13197	4.1
163.11183	2.2
163.14804	6.4
165.12711	1.4
171.11679	3.8
173.13219	1.7
175.14828	1.5
177.12794	1.6
179.10727	1.6
185.13248	1.6
189.12784	1.3
193.12221	1.6
195.13687	1.3
199.14822	1.3
207.13890	1.6
221.15405	2.3
231.17249	1.6
235.16985	5.9
241.19490	2.1
259.20554	3.8
268.12875	1.2
277.18472	2.6
277.21613	61.6
282.02234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26165	15.6
65.30241	16.7
71.40247	41.4
88.54459	14.6
119.01914	51.4
161.02945	25.9
185.03046	24.3
277.03085	77.5
277.07898	23.5
291.03210	17.7
295.08652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03929	5.9
53.15450	1.9
53.96375	1.7
55.01675	1.4
55.01868	15.9
55.05265	2.4
55.05505	29.6
56.96544	3.5
57.07055	6.3
57.83221	1.8
65.03934	2.6
67.05497	55.5
69.06796	1.6
69.07064	19.4
69.62563	14.4
71.04984	3.9
71.08632	9.8
72.96107	1.7
78.98724	1.8
79.05486	62.7
81.03406	5.1
81.07048	49.7
83.04970	4.3
83.08613	15.0
85.06534	3.7
91.04965	3.0
91.05476	36.7
91.80391	1.7
93.07036	79.7
95.04955	17.1
95.08596	34.0
97.06517	6.3
97.10147	6.8
99.08060	9.7
105.07016	27.5
107.04932	4.5
107.07877	2.6
107.08588	42.6
109.06518	6.9
109.10147	18.1
111.08088	13.5
117.07014	4.8
118.46281	1.6
119.08582	18.5
121.06451	4.0
121.10115	20.2
123.08078	4.5
123.11709	4.5
126.96657	1.7
129.06999	5.3
131.08536	7.9
133.10121	17.2
135.11667	21.6
137.09607	2.5
137.13187	1.8
139.07541	1.9
141.12727	3.1
143.08525	3.3
145.10089	8.4
147.08015	2.8
147.11661	18.2
149.09622	4.4
149.13246	16.5
151.11127	5.5
157.10236	2.4
159.11682	4.8
161.09624	2.7
161.13263	9.3
163.11191	9.4
163.14822	7.7
165.12750	7.1
171.11656	5.1
173.13199	3.3
175.11133	2.8
175.14848	4.3
177.12791	2.8
179.14246	2.7
185.13223	3.4
189.12711	2.6
193.12177	2.4
199.16299	2.2
203.14389	2.3
207.13841	2.0
209.07397	1.8
212.72797	2.0
212.74780	1.9
213.16310	2.4
217.19496	4.6
221.15337	3.7
231.21024	4.0
235.16948	5.1
241.19485	4.3
259.20529	11.2
259.67871	1.8
260.12534	2.2
277.21609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	12.5
56.96563	81.6
58.92969	8.8
65.24872	10.2
69.03416	15.7
70.88074	28.6
70.98097	16.9
71.62334	9.6
76.89356	9.0
85.02911	18.0
87.94332	8.8
89.23028	8.2
97.02898	12.8
97.07422	8.9
97.95898	10.5
98.97579	100.0
101.00900	21.8
110.97581	24.1
116.98640	45.3
119.01926	54.6
120.01145	18.4
128.98599	35.2
134.99657	20.6
137.03001	10.9
144.07654	9.7
146.99644	38.4
149.01263	13.6
157.03490	23.3
161.02884	51.4
165.00723	27.3
173.03082	11.2
175.04474	24.2
177.00732	22.9
180.82088	9.3
185.02876	13.9
187.04414	9.9
189.00647	14.0
219.01682	20.9
237.02922	53.6
245.05110	17.5
259.06943	11.5
277.03290	18.4
277.07703	37.2
295.06702	10.0
295.09015	21.9
296.25385	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	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23627	7.8
55.16747	8.8
56.96565	18.0
57.07079	13.8
67.10331	8.0
67.29806	7.7
70.80065	21.0
70.95517	8.5
76.68440	9.2
98.97575	58.9
101.00879	15.3
109.02861	8.0
116.98604	71.5
119.01936	96.3
133.03564	13.4
134.99678	34.7
137.02965	31.9
157.03484	31.4
161.02982	53.1
163.03888	75.8
173.45813	9.7
175.04546	40.7
177.00949	43.2
179.00809	18.5
185.02997	17.7
203.04012	18.7
210.95749	9.5
219.02028	39.0
222.01863	12.1
235.16910	18.7
258.99820	30.9
277.00647	53.0
277.05231	18.9
277.07974	49.7
295.08780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1957
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05507	2.2
57.03425	0.8
57.62073	0.3
59.04996	3.4
60.79674	0.3
67.05496	0.9
69.50612	2.8
71.06892	0.4
73.06536	0.4
73.55898	0.3
76.19175	0.3
79.05470	0.8
81.07037	0.8
91.05480	0.8
93.07030	1.0
95.08564	0.8
98.20596	0.3
105.07005	1.4
105.32963	0.3
106.07338	0.4
107.08556	0.7
108.08894	0.5
109.06560	0.3
117.06959	0.4
118.06531	17.7
119.07294	0.6
119.08570	1.0
120.08121	0.4
131.08502	0.4
132.08069	5.9
132.08992	0.4
133.08859	2.4
133.09998	0.7
134.09598	1.2
134.10504	0.6
135.11613	0.3
136.06229	0.4
145.10129	0.6
146.09625	6.6
147.10486	0.5
147.11662	0.4
148.12070	0.5
163.81166	0.4
176.14328	75.1
177.14636	1.4
190.15858	0.8
199.98149	0.3
232.13341	0.8
233.13918	0.3
240.91576	0.3
276.19559	100.0
277.19812	2.7
297.07690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01865	3.9
55.05261	1.3
55.05505	15.6
55.80020	0.8
56.91293	0.9
57.03435	1.0
57.07040	0.9
57.15459	0.8
59.05054	0.8
65.03925	1.2
67.05498	24.8
69.03416	1.1
69.07065	12.7
69.43703	6.2
71.04980	2.2
79.05492	24.7
81.07055	32.2
83.04965	3.0
83.08613	6.0
85.06505	1.5
91.05476	47.2
92.05808	0.8
93.07034	22.1
95.04956	5.6
95.08598	18.1
97.06538	4.3
97.10148	2.4
103.05441	2.3
104.06239	1.1
105.07024	65.7
106.07352	1.3
107.04964	5.8
107.08586	17.7
109.06517	5.7
109.10152	7.1
111.08050	1.5
115.05456	1.5
117.06226	1.1
117.07011	13.4
119.08576	41.0
121.06481	4.6
121.09328	1.1
121.10139	11.0
123.08032	2.8
123.11679	1.5
125.09620	1.0
129.06985	2.9
130.07733	1.5
131.08562	17.7
132.09335	0.8
133.06494	1.5
133.09102	1.8
133.10121	38.2
135.08014	5.1
135.11688	6.4
137.09535	2.1
143.08530	2.4
145.06487	0.9
145.10107	16.3
146.10646	0.9
147.08098	1.1
147.11673	21.6
149.09602	7.8
149.13255	3.0
151.11151	3.1
155.08539	1.5
157.10088	4.0
157.34653	0.9
159.11684	10.5
161.09608	1.2
161.13255	6.4
163.11174	4.0
165.12724	1.0
169.10152	2.1
171.11661	2.9
173.13254	7.0
175.11188	2.5
175.14816	2.6
177.12686	1.8
183.11682	3.7
185.13257	0.8
187.11165	1.1
187.14861	1.4
189.12709	1.3
193.12326	1.2
197.13214	2.5
199.14653	1.2
201.12782	1.3
213.16368	0.8
215.14278	0.8
215.17896	2.2
229.19534	6.6
233.15239	1.0
239.17996	5.2
240.45248	0.8
247.20618	3.8
257.18991	10.6
275.20047	100.0
276.20398	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	275.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.0
56.24292	1.5
57.07081	12.4
64.54291	1.5
67.05503	33.1
69.07061	31.1
71.08621	2.6
71.58199	1.8
75.74915	1.4
75.83257	1.6
79.05492	14.7
81.07053	100.0
82.07382	2.0
83.08607	13.3
91.05471	15.0
93.07042	20.0
95.04984	3.2
95.08601	81.4
97.10176	8.6
105.07031	17.1
107.08585	19.6
109.06501	2.7
109.10149	47.5
111.11716	6.3
115.11433	1.7
117.06995	1.7
119.08595	8.9
121.06516	2.2
121.10144	13.0
123.11697	26.3
129.09489	1.8
131.08551	3.4
133.10100	9.1
135.11693	10.2
137.13266	12.7
143.08545	2.1
145.10138	4.4
147.11673	4.6
149.13263	10.8
151.14841	4.8
157.10078	1.7
159.11772	2.4
163.11191	1.5
163.14841	4.8
165.16412	3.3
176.98238	1.6
177.16331	1.7
191.24025	2.2
197.13307	2.2
205.19542	1.9
209.62903	1.6
257.19037	2.3
274.51059	1.8
275.17310	2.6
275.20111	21.5
275.27353	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03947	2.9
55.01851	6.0
55.05510	23.3
56.52143	1.8
57.07056	3.4
65.03936	1.7
67.05173	2.7
67.05502	34.2
69.03408	2.6
69.07063	17.0
70.10074	7.2
70.10487	2.5
71.04976	2.4
79.05065	2.3
79.05489	30.3
81.07050	41.9
83.04962	3.9
83.08604	7.3
91.05471	56.3
93.07034	31.5
95.04967	9.0
95.08598	26.9
97.06517	5.7
97.10146	3.8
98.20790	1.6
103.05453	3.2
104.69194	1.7
105.07024	87.3
107.04955	5.2
107.08581	28.9
109.06507	6.1
109.10148	14.1
111.08085	2.7
117.07008	17.1
119.08574	47.9
121.06487	5.6
121.10147	12.4
123.08060	2.4
123.11681	4.8
125.09644	2.3
129.06995	4.9
131.08554	18.4
133.10118	45.8
135.08049	6.5
135.11696	8.3
137.09618	6.9
143.08521	3.9
145.10114	22.5
147.08069	1.6
147.11670	33.1
149.09599	8.6
149.13249	8.1
151.11215	4.1
155.08533	2.8
157.10095	3.5
159.08180	2.0
159.11676	12.0
161.09637	2.0
161.13269	8.4
163.11162	7.1
163.14861	3.5
165.12784	1.8
169.10121	4.5
171.11681	4.6
173.13249	7.7
177.12793	3.0
183.11653	2.2
187.11256	2.9
197.13203	4.5
215.17928	3.4
229.19516	5.1
239.17906	9.9
247.20596	5.4
257.18976	14.6
275.20050	100.0
275.27356	3.5
276.20361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.4
55.01852	6.0
55.05507	16.2
57.07082	1.5
57.09196	1.2
58.80929	1.2
65.03937	1.5
67.05177	1.9
67.05502	30.7
69.07060	12.2
69.66536	5.8
69.66962	4.3
71.04972	2.8
71.30619	1.2
79.05485	33.9
81.07055	31.0
83.04957	4.7
83.08601	5.3
85.06539	1.6
91.05473	56.4
93.06477	2.3
93.07037	37.9
95.04947	6.3
95.08591	22.7
97.06529	8.8
97.10152	2.6
103.05457	3.1
105.04552	1.6
105.07024	71.3
105.62978	1.2
107.04927	3.8
107.08584	26.5
109.06487	6.0
109.10139	9.7
109.84358	1.3
111.08051	3.8
115.05415	2.2
117.07007	15.3
119.08576	47.5
121.06488	5.3
121.10141	14.7
123.08043	3.8
123.11653	3.1
125.09617	1.6
127.07666	1.5
129.06992	3.0
131.08551	23.4
133.06502	3.6
133.10115	46.8
135.08038	5.4
135.11679	6.1
137.09610	5.4
141.06938	1.6
143.08513	4.1
145.10095	24.8
147.08012	3.1
147.11668	20.9
149.09613	16.0
151.11171	5.7
155.08513	1.7
157.10109	3.9
159.11694	14.7
161.09595	4.1
161.13220	6.5
163.11159	10.1
165.12714	4.0
169.10130	5.7
171.11646	3.6
173.13243	7.2
175.11110	2.6
177.12747	3.2
179.10753	2.3
183.11684	4.3
191.14279	2.4
195.15799	1.4
197.13216	4.6
201.16441	1.4
213.16301	1.7
215.17970	2.5
229.19502	5.1
239.17941	11.0
247.20461	3.0
257.19034	12.2
275.20044	100.0
276.20358	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
52.04948	1.1
53.03937	1.4
55.05507	5.0
57.07057	1.6
67.05497	5.3
69.07061	12.6
69.90630	7.0
71.04983	3.0
76.52097	1.1
79.05486	3.8
81.07050	4.8
81.23766	1.1
83.04992	1.5
83.08612	1.6
85.06504	1.9
91.05479	6.6
92.22320	1.0
93.07037	10.6
95.04974	1.3
95.08612	8.4
105.07030	10.3
107.08594	8.5
109.06510	3.7
109.10149	4.6
109.25127	1.2
111.08069	16.8
111.11788	1.4
113.09635	2.4
117.07036	2.9
119.08576	9.6
121.06515	3.7
121.10140	6.4
122.07278	3.9
123.08072	15.3
125.09696	1.4
130.07787	1.2
131.08580	8.9
133.10126	7.4
134.22475	1.2
135.08055	21.3
135.09096	0.9
135.11679	2.7
137.09586	1.1
139.11195	2.0
143.08585	2.1
144.09283	1.2
145.10110	7.3
147.08095	1.3
147.11667	6.9
149.09608	4.2
157.10117	2.9
159.11681	7.8
161.09615	2.2
163.11235	2.8
165.12764	2.8
171.11676	13.7
173.13260	3.4
175.11200	1.4
175.14746	2.0
176.11938	6.5
181.12225	13.8
187.14792	1.6
187.21124	1.1
189.12581	2.4
191.14296	100.0
192.14546	2.8
193.50978	1.3
199.14813	5.3
215.18013	2.7
217.15938	5.4
238.01106	1.2
239.18027	1.8
257.18933	5.9
275.20050	32.0
275.22705	1.3
276.20462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03938	3.4
53.78627	1.2
55.01865	14.1
55.05508	20.4
65.03952	1.2
67.05503	27.4
69.07063	15.2
70.64629	3.8
71.04971	1.8
79.05485	32.6
80.50031	1.3
81.03357	1.9
81.06586	2.3
81.07052	38.9
83.04969	2.9
83.08592	7.0
91.04902	3.1
91.05478	59.9
93.07037	24.3
95.04944	6.1
95.08608	16.6
96.54044	1.3
97.06524	18.9
97.10153	3.7
103.05462	2.8
105.07027	100.0
106.07335	1.6
107.04935	7.7
107.08594	15.5
109.06511	5.3
109.10145	6.4
117.07011	14.2
119.08572	43.0
121.06470	2.9
121.10128	6.3
123.08074	2.7
125.09599	1.9
131.08548	21.6
133.10126	59.5
135.08017	2.9
135.11681	5.6
137.09619	2.8
143.08519	4.3
143.11548	1.3
145.10109	16.5
147.11687	29.6
149.09593	10.1
151.11174	2.8
155.08594	1.4
157.10101	3.3
159.11650	8.8
161.13263	4.3
163.11153	3.0
165.09071	2.2
169.10075	1.9
171.11696	3.9
173.13211	2.9
179.10716	1.6
179.14392	1.7
183.11713	2.3
187.14815	1.9
197.13231	2.0
219.13817	1.7
219.95808	1.6
230.86066	1.4
239.17957	2.6
247.20544	2.5
257.19016	5.2
275.20053	79.7
276.20395	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03946	4.9
55.01871	9.2
55.05272	1.8
55.05510	32.7
56.35664	1.6
59.05005	1.9
66.34297	1.5
67.05502	43.7
69.03406	1.8
69.07059	13.6
69.42614	9.3
69.43059	6.1
71.04985	3.8
73.58746	1.8
79.05486	63.2
81.03378	2.2
81.06597	1.9
81.07055	30.8
83.04976	2.6
83.08636	9.4
89.49145	1.5
91.05477	61.6
93.07046	33.2
95.04952	5.5
95.08583	15.6
97.06519	7.5
97.10176	6.0
98.30054	1.6
100.14841	1.5
105.07022	75.3
107.04958	34.6
107.08590	36.7
109.06516	5.5
109.10146	17.6
111.08051	2.3
115.05422	1.8
117.07005	17.4
119.08580	44.7
121.06466	3.8
121.10126	13.1
123.11691	4.9
125.09632	6.8
128.06213	1.6
129.06998	2.9
131.08566	20.6
133.10123	39.4
135.08060	6.2
135.11694	3.2
137.72783	1.5
141.06935	2.3
143.08582	2.9
145.10103	16.5
147.08066	2.6
147.11681	25.2
148.12045	1.8
149.09616	56.4
149.13300	2.2
153.09180	2.2
157.10101	4.6
159.11687	11.9
161.09666	2.1
161.13190	10.2
163.11224	4.5
165.19463	1.7
169.10162	2.4
169.12193	2.6
171.11642	2.9
173.11870	3.2
173.13293	6.4
175.11012	1.9
176.95796	1.7
180.34717	1.7
183.11668	3.9
187.11185	4.0
187.13087	2.0
187.14737	2.8
196.68201	1.8
197.13266	2.2
200.58914	1.7
215.17902	3.4
229.19562	10.3
233.15231	1.7
239.17854	4.3
247.20580	3.2
257.18994	19.7
275.20050	100.0
276.20407	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03925	5.7
55.01860	5.3
55.05511	22.6
57.03431	4.9
57.07057	1.9
65.03934	3.3
67.05502	36.1
69.03407	4.0
69.07057	12.9
69.62371	8.9
69.62785	6.1
71.04973	2.9
79.05486	49.1
81.03404	6.0
81.07051	100.0
83.04961	8.4
83.08594	7.2
85.06527	2.2
91.04905	3.0
91.05476	56.8
93.07044	39.6
95.04962	15.7
95.08598	25.9
97.06526	4.9
98.21487	3.4
100.18151	1.9
103.05442	3.6
105.07026	67.0
107.04955	16.0
107.08597	23.8
109.05788	3.0
109.06512	37.5
109.10121	9.4
111.08063	3.5
117.07016	14.4
119.07800	3.6
119.08584	48.6
121.06491	11.7
121.10130	10.8
123.08053	8.3
123.11703	3.3
125.09637	2.0
129.06966	5.6
131.08545	17.2
133.06490	3.2
133.10112	33.0
135.08015	8.0
135.11676	8.2
137.09605	4.1
143.08557	4.0
145.10123	15.4
147.08040	2.3
147.11679	18.6
149.09639	9.9
149.13222	4.4
151.11172	6.2
155.04622	1.9
155.08534	2.6
157.10103	3.3
159.11687	13.3
161.09648	3.2
161.13254	3.9
163.11171	6.6
163.14835	3.0
169.10106	2.3
171.11646	5.0
173.09683	2.7
173.13199	4.3
175.11108	3.8
175.14960	2.4
183.11606	3.1
187.11223	2.2
191.14148	2.2
193.12193	2.9
197.13252	3.2
201.12737	2.3
229.19470	3.2
239.17810	2.1
240.07005	1.8
247.20647	7.2
257.19000	8.1
275.20056	78.0
276.20447	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01859	4.2
55.05511	20.5
57.03428	5.9
57.07055	2.2
58.33187	1.5
65.03934	2.6
67.05499	27.9
69.07071	12.1
70.17973	6.0
71.04979	3.0
72.92852	1.4
79.05063	2.7
79.05492	30.5
81.07054	31.9
83.04978	5.5
83.08617	6.2
85.06535	2.0
86.56307	1.5
91.05478	60.2
93.07040	29.4
93.86931	1.6
95.04962	8.1
95.08608	20.3
96.35709	1.6
97.06561	2.6
97.10184	1.6
98.20811	2.3
103.05454	2.4
105.07027	81.1
107.04948	8.2
107.08591	18.5
109.06520	9.0
109.10177	8.0
111.08083	2.5
115.05447	1.9
117.07019	14.5
119.08580	48.1
121.06497	6.3
121.10168	10.5
123.08054	6.3
129.07042	3.5
131.08563	21.1
133.06471	1.5
133.10121	56.8
135.08057	8.4
135.11693	6.3
135.39197	1.5
137.09656	4.4
143.08554	4.2
145.10110	16.6
147.08058	2.5
147.11671	24.9
149.09598	8.5
149.13174	3.0
151.11176	4.4
157.10100	4.4
159.11703	12.3
161.09657	1.9
161.13222	5.6
163.11186	5.5
165.09113	1.6
169.10133	2.3
171.11737	4.5
173.13278	6.5
175.11211	2.2
175.14720	1.7
177.12660	1.9
183.11641	4.5
185.13257	4.3
191.14406	1.8
197.13295	2.7
203.14235	2.2
215.17850	1.7
229.19560	2.5
230.95728	1.7
239.17952	5.3
247.20619	6.9
257.19064	11.1
275.20053	100.0
275.27869	2.6
276.20483	2.6
278.95416	1.7
286.34906	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01863	3.4
55.05513	15.1
57.07048	2.9
58.07398	1.4
65.01507	0.8
65.03930	1.7
67.05177	1.5
67.05504	20.2
69.07067	10.8
69.98135	2.4
69.98557	3.4
70.06581	2.3
71.04987	2.5
71.06927	1.2
71.08605	1.4
79.05065	1.4
79.05496	23.3
79.92349	0.9
81.06586	1.4
81.07053	25.4
82.46265	0.9
83.04961	3.2
83.08626	6.0
85.06534	1.1
88.07616	4.7
89.07949	1.0
91.05477	53.0
93.07046	21.2
95.04973	5.2
95.08602	14.8
97.06509	3.5
97.10160	2.2
103.05446	2.5
105.07027	69.3
105.42931	0.9
106.08657	3.0
107.04981	4.6
107.08581	14.6
109.06518	4.1
109.10177	5.5
111.08057	2.1
115.05455	1.8
117.07021	13.2
119.08576	42.1
119.28998	1.0
121.05654	0.9
121.06477	3.2
121.10130	6.7
123.08054	3.0
129.07013	2.6
130.68074	1.1
131.08568	18.4
133.06422	1.3
133.10126	46.2
135.08060	4.3
135.11681	5.2
137.09657	1.4
143.08551	2.9
145.10124	17.8
147.07991	1.7
147.11693	24.3
149.09607	6.0
157.10124	3.3
159.11700	9.5
161.09659	1.6
161.13243	5.6
163.11169	3.9
169.10085	2.1
171.11665	2.8
173.13255	4.5
175.11185	1.8
175.14809	1.2
177.12729	1.2
179.10686	1.4
181.12280	1.1
183.11687	3.5
187.14679	1.3
189.12662	1.2
197.13205	2.5
201.12772	1.1
229.19629	1.6
233.15529	1.3
239.17943	5.1
247.20537	1.6
257.18948	9.3
257.26636	1.4
275.20059	100.0
275.27759	30.2
276.20364	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	3.5
55.01860	4.8
55.05510	19.0
57.03419	5.7
57.07073	1.8
59.39847	1.6
65.03919	2.5
67.05175	2.1
67.05499	26.2
69.03429	2.0
69.07063	11.0
70.83266	2.8
71.04983	3.1
78.47897	1.4
79.05064	2.4
79.05489	32.2
81.07049	34.8
83.04972	3.3
83.08615	6.5
85.06524	3.9
91.05475	50.9
93.07040	30.6
95.04975	6.1
95.08603	21.1
97.06522	3.1
97.10175	1.9
103.05473	2.7
105.07029	59.7
107.04948	8.2
107.08584	18.8
109.06516	12.0
109.10175	8.4
111.08083	3.1
117.07003	13.1
119.08577	40.5
121.06499	5.3
121.10126	11.1
123.08053	5.2
125.09653	1.8
129.06975	4.7
131.08562	20.5
132.09396	1.6
133.06395	1.8
133.10123	47.0
135.08064	7.7
135.11667	6.5
137.09599	5.6
141.07010	2.6
143.08539	2.9
145.10114	20.1
147.08130	2.0
147.11685	21.3
149.09604	7.7
149.13332	1.8
151.11232	2.1
157.10106	5.4
159.08029	2.1
159.11690	10.7
161.09581	1.6
161.13226	7.7
163.11208	5.5
169.10103	2.4
171.11688	6.4
173.13242	10.7
175.11176	3.4
175.14771	2.0
177.12717	2.0
183.11685	4.1
185.13257	2.9
187.11197	2.2
197.13219	3.6
203.14241	3.1
208.33459	1.8
219.17397	1.7
229.19394	3.3
239.17976	5.0
247.20531	3.7
257.19061	10.6
275.20056	100.0
276.20419	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.41795	1.1
55.01848	2.5
55.05505	16.5
55.77460	1.2
57.03425	6.4
57.07053	2.5
58.07382	1.2
63.66023	1.1
65.03939	1.6
67.05502	20.4
67.74495	1.4
69.07072	12.2
69.59933	2.6
69.60328	9.6
70.06567	3.4
71.04990	2.5
71.06916	1.3
72.00370	1.1
74.59228	1.1
75.01199	1.1
79.05484	17.3
81.07053	21.7
83.04949	1.4
83.08612	5.7
85.06535	2.3
88.07603	4.4
91.05472	42.8
93.07034	18.7
95.04929	3.0
95.08594	14.9
97.06499	2.0
97.10157	2.0
105.07022	61.2
106.07349	1.4
106.08658	2.7
107.04936	2.0
107.08564	9.8
109.06503	2.4
109.10143	5.0
110.22516	1.4
117.06989	11.9
119.08570	43.3
120.08914	2.0
121.06506	3.0
121.10129	6.3
123.11713	1.9
129.07033	3.9
131.08553	16.3
133.10130	31.8
135.08032	1.5
135.11714	1.8
143.08557	4.0
145.10120	14.3
147.11682	31.1
149.09631	4.4
155.08575	1.8
157.10144	4.1
159.11691	19.1
161.09572	2.5
161.13281	8.4
169.10095	1.4
171.11682	3.3
173.13255	5.5
175.14841	2.8
183.11659	1.6
185.13274	6.7
197.13190	2.9
203.14302	6.9
219.13745	1.5
219.17432	2.4
229.19429	6.7
239.17957	4.5
257.18961	9.7
257.26584	2.1
263.08118	1.3
272.67416	1.4
275.20044	100.0
275.27731	38.4
276.20364	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.81970	1.1
52.20661	1.2
52.40786	1.1
55.01860	2.4
55.05315	1.1
55.05512	13.1
57.03424	5.5
57.07069	3.0
58.07390	1.2
59.36304	1.3
67.05505	14.6
69.07066	10.5
69.59406	10.3
70.06578	3.2
71.04978	1.6
71.08625	1.2
79.05489	17.8
81.07052	15.3
83.08640	7.0
85.06525	1.9
88.07618	5.2
89.07953	2.4
91.05479	40.6
93.07047	17.9
93.47708	1.2
95.04971	2.6
95.08600	12.8
97.10111	2.1
98.20844	2.4
102.09180	1.9
103.05456	2.9
105.07026	58.5
107.08576	10.0
109.06493	2.2
109.10144	3.6
117.07005	12.1
119.08584	42.9
121.10125	4.8
123.08054	2.0
129.07001	4.1
131.08562	14.5
133.10130	30.9
135.11678	2.5
143.08575	3.5
145.10072	13.6
147.11681	30.3
148.11998	1.4
149.09624	3.1
149.71736	1.4
155.08563	1.6
157.10112	3.1
159.11690	15.5
161.09566	1.9
161.13271	9.7
163.11185	3.1
168.87848	1.2
169.10077	1.7
173.13251	6.3
183.11745	2.8
185.13281	7.9
197.13327	2.7
203.14297	3.8
219.13835	1.4
219.17435	2.1
229.19572	7.6
239.17940	4.2
257.19077	10.5
257.26569	1.9
262.45895	1.3
275.20059	100.0
275.27737	44.0
276.20386	3.8
294.03604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03948	2.2
55.01862	3.1
55.05507	18.8
57.03431	3.6
57.07055	3.5
65.03934	1.9
67.05502	30.0
69.07066	15.8
70.70194	4.2
71.04987	3.3
79.05064	2.3
79.05490	31.7
81.07056	37.6
83.04971	3.7
83.08596	8.5
85.06506	2.2
90.43598	1.4
91.05479	76.5
93.07043	25.8
95.04952	4.7
95.08601	23.0
97.06528	2.6
97.10149	3.6
103.05476	1.8
105.07026	71.1
107.04934	3.1
107.08595	23.8
109.06502	4.6
109.10148	11.9
111.08067	2.0
115.05508	1.3
117.07018	13.0
119.08581	57.8
121.06483	4.3
121.10142	15.2
123.08007	2.1
123.11677	5.6
125.09609	2.8
129.07005	3.3
131.08566	28.6
133.10121	48.6
135.08028	5.1
135.11667	6.8
137.09589	3.3
137.13217	1.7
141.06955	1.4
143.08539	4.9
145.10101	19.2
147.07976	1.5
147.11684	20.9
149.09651	7.1
149.13249	6.0
151.11237	2.3
155.08589	1.4
157.10133	5.7
159.11696	11.4
161.13269	7.4
163.11188	4.3
163.14818	3.4
169.10080	2.6
171.11676	4.7
173.13263	4.9
175.11263	2.2
177.12787	2.5
183.11597	1.9
185.13216	1.8
193.12106	3.0
197.13187	2.9
211.14775	1.3
219.21214	1.4
229.19540	4.6
233.15376	1.9
234.58028	1.3
239.18018	4.7
247.20605	3.2
257.19061	10.7
275.20053	100.0
276.20435	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	2.0
55.01852	2.7
55.05270	1.2
55.05509	17.1
57.03419	2.3
57.07060	2.3
59.04983	1.1
65.03923	2.2
67.05506	26.1
69.07072	11.1
70.48471	4.0
71.04967	3.8
79.05493	29.8
81.07054	24.1
83.04942	1.9
83.08613	4.9
91.05477	57.3
93.07046	23.7
95.04949	4.4
95.08607	14.7
97.06550	3.1
97.10155	1.3
103.05465	2.6
105.07030	66.8
106.07346	2.2
107.04944	3.6
107.08599	12.3
107.19395	1.1
109.06496	2.4
109.10150	8.2
115.05452	1.8
117.07013	15.9
118.07868	1.2
119.08580	51.9
121.06491	2.6
121.10140	9.3
123.08072	2.1
123.11674	1.1
125.09615	1.3
128.06204	1.1
129.06995	3.8
131.08557	19.6
133.10129	49.2
135.08020	4.8
135.11659	3.7
137.09547	2.0
143.08586	3.0
145.10114	14.3
147.08026	1.7
147.11687	28.5
149.09610	9.1
149.13239	1.2
151.11194	1.2
155.08546	2.8
157.10075	2.6
159.11667	11.4
161.09657	1.4
161.13240	8.3
163.11182	2.5
169.10071	2.6
171.11662	4.1
173.13277	10.3
175.11183	1.3
177.12857	1.6
181.38789	1.1
183.11633	2.6
185.13205	1.1
187.11154	1.7
187.14775	3.0
189.12718	2.2
197.13303	2.5
205.12349	1.3
229.19524	3.7
233.15416	1.9
234.14224	1.3
238.56798	1.1
239.17976	4.2
247.20557	4.4
257.18930	5.8
275.20056	100.0
276.20425	3.7
294.50546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
56.05031	20.6
57.03428	1.4
58.04066	6.1
61.86350	1.2
69.04549	23.3
70.06577	3.1
70.69637	3.4
70.69987	1.8
72.04511	21.9
72.08133	5.0
74.02434	13.8
74.06075	17.0
76.05124	45.2
79.05478	2.0
81.07066	8.5
84.04491	3.0
85.02872	1.5
86.03546	5.6
86.06026	1.3
86.07199	2.4
86.09700	2.9
87.07939	4.6
88.07623	31.0
96.05607	22.5
96.08102	2.0
98.09669	4.6
100.08672	1.5
102.05532	16.8
102.06612	1.8
104.04575	1.9
110.07147	3.2
114.06652	23.2
114.09138	3.1
114.10281	1.6
115.07420	13.1
116.08212	10.8
118.05000	11.4
120.06582	4.5
128.08173	10.6
128.10689	1.5
132.10139	3.2
135.07626	2.8
138.10233	7.6
138.12769	2.0
139.11052	2.0
140.11813	5.4
156.11316	73.4
158.12869	2.3
160.07172	11.4
172.09682	9.3
174.12369	60.6
177.09784	7.3
189.12309	6.9
194.80179	1.3
212.13901	2.2
213.17212	1.5
215.06850	1.3
215.13893	1.5
230.15010	4.3
239.15094	1.7
240.13417	5.4
257.16068	95.1
275.17123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05496	2.2
56.05039	14.7
56.37425	1.6
56.96563	86.1
57.03423	2.1
57.07060	1.3
58.04065	3.4
58.06586	1.6
59.13264	1.2
59.30332	1.3
61.02923	2.3
62.29521	1.6
67.05499	2.2
69.03413	4.3
69.04544	13.0
69.07047	2.0
70.06583	8.2
70.07397	1.7
70.98109	15.8
71.04978	4.9
71.55924	1.9
72.04520	10.4
72.08148	10.5
72.93761	1.7
73.02911	4.8
73.08487	2.6
73.25619	1.4
74.02438	9.3
74.06066	9.9
74.97606	4.7
76.05128	17.2
79.05499	2.6
81.03397	1.9
81.07030	3.9
82.06577	2.7
84.04491	6.4
84.08144	12.5
84.96009	2.4
85.02887	5.6
86.03542	4.2
86.09678	2.4
87.04440	1.5
87.07982	2.0
88.03989	8.1
88.07632	14.5
88.99157	9.2
91.05482	1.5
95.06068	2.5
96.05624	11.5
97.02872	4.0
98.06069	1.5
98.09690	3.2
98.97583	9.6
100.02213	3.5
102.05549	8.5
107.00169	4.1
108.04477	3.2
109.02934	1.9
110.07191	3.2
110.97556	4.8
111.05563	6.3
114.06652	16.5
115.07433	3.9
116.08239	7.2
116.98604	9.4
117.05447	2.3
118.05013	4.7
119.01923	6.9
120.06565	2.4
123.05537	4.2
123.07929	1.4
125.01209	1.8
125.07110	20.7
126.05508	2.2
126.06604	4.0
127.07429	2.5
128.08180	5.3
128.98595	17.9
129.10234	3.0
130.08600	2.0
131.01920	2.7
134.06010	1.8
134.99680	8.1
135.07683	1.3
137.03001	3.5
138.10271	3.5
140.11800	1.9
141.06610	5.9
145.03494	2.6
146.02692	2.1
146.99641	31.2
147.11269	2.0
152.02335	1.6
153.00743	2.5
154.08653	2.0
156.11320	33.7
156.98085	2.8
159.05000	1.7
160.07184	3.4
160.97446	1.6
162.99146	1.5
165.00710	21.3
172.09666	3.8
172.15369	1.5
172.97539	8.1
174.08789	4.9
174.12381	26.5
174.99132	39.4
177.00696	2.0
177.09851	4.1
183.01678	2.0
189.12337	3.5
190.98631	49.6
193.00201	100.0
198.00725	4.1
201.04581	1.4
203.03976	2.0
205.00266	5.1
206.00618	1.5
206.98087	2.3
208.99675	17.4
211.01236	9.8
213.02473	1.4
213.17072	1.6
214.00244	3.3
216.01764	5.0
218.98154	9.4
220.99681	1.9
221.05136	1.7
223.01247	5.4
232.99652	15.3
236.99196	4.8
240.13568	2.7
251.00732	13.0
257.11884	1.8
257.16159	41.8
269.01862	2.0
275.00671	3.2
275.10953	8.9
275.17114	52.7
275.19687	2.6
292.98508	2.1
293.03760	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	275.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.05496	2.2
56.05039	14.7
56.37425	1.6
56.96563	86.1
57.03423	2.1
57.07060	1.3
58.04065	3.4
58.06586	1.6
59.13264	1.2
59.30332	1.3
61.02923	2.3
62.29521	1.6
67.05499	2.2
69.03413	4.3
69.04544	13.0
69.07047	2.0
70.06583	8.2
70.07397	1.7
70.98109	15.8
71.04978	4.9
71.55924	1.9
72.04520	10.4
72.08148	10.5
72.93761	1.7
73.02911	4.8
73.08487	2.6
73.25619	1.4
74.02438	9.3
74.06066	9.9
74.97606	4.7
76.05128	17.2
79.05499	2.6
81.03397	1.9
81.07030	3.9
82.06577	2.7
84.04491	6.4
84.08144	12.5
84.96009	2.4
85.02887	5.6
86.03542	4.2
86.09678	2.4
87.04440	1.5
87.07982	2.0
88.03989	8.1
88.07632	14.5
88.99157	9.2
91.05482	1.5
95.06068	2.5
96.05624	11.5
97.02872	4.0
98.06069	1.5
98.09690	3.2
98.97583	9.6
100.02213	3.5
102.05549	8.5
107.00169	4.1
108.04477	3.2
109.02934	1.9
110.07191	3.2
110.97556	4.8
111.05563	6.3
114.06652	16.5
115.07433	3.9
116.08239	7.2
116.98604	9.4
117.05447	2.3
118.05013	4.7
119.01923	6.9
120.06565	2.4
123.05537	4.2
123.07929	1.4
125.01209	1.8
125.07110	20.7
126.05508	2.2
126.06604	4.0
127.07429	2.5
128.08180	5.3
128.98595	17.9
129.10234	3.0
130.08600	2.0
131.01920	2.7
134.06010	1.8
134.99680	8.1
135.07683	1.3
137.03001	3.5
138.10271	3.5
140.11800	1.9
141.06610	5.9
145.03494	2.6
146.02692	2.1
146.99641	31.2
147.11269	2.0
152.02335	1.6
153.00743	2.5
154.08653	2.0
156.11320	33.7
156.98085	2.8
159.05000	1.7
160.07184	3.4
160.97446	1.6
162.99146	1.5
165.00710	21.3
172.09666	3.8
172.15369	1.5
172.97539	8.1
174.08789	4.9
174.12381	26.5
174.99132	39.4
177.00696	2.0
177.09851	4.1
183.01678	2.0
189.12337	3.5
190.98631	49.6
193.00201	100.0
198.00725	4.1
201.04581	1.4
203.03976	2.0
205.00266	5.1
206.00618	1.5
206.98087	2.3
208.99675	17.4
211.01236	9.8
213.02473	1.4
213.17072	1.6
214.00244	3.3
216.01764	5.0
218.98154	9.4
220.99681	1.9
221.05136	1.7
223.01247	5.4
232.99652	15.3
236.99196	4.8
240.13568	2.7
251.00732	13.0
257.11884	1.8
257.16159	41.8
269.01862	2.0
275.00671	3.2
275.10953	8.9
275.17114	52.7
275.19687	2.6
292.98508	2.1
293.03760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05507	23.1
57.07071	9.4
61.67992	3.6
67.05507	31.7
69.06721	5.2
69.07065	49.0
79.05499	22.6
81.07054	79.3
81.44118	3.9
83.08607	15.9
91.05468	11.7
93.07042	51.2
95.08607	100.0
97.10157	14.7
105.07028	34.4
107.08591	53.2
109.10154	69.3
109.57925	3.6
119.08567	26.2
121.10155	56.6
123.11697	50.1
133.10112	21.3
135.11700	34.6
137.13242	14.6
145.10109	4.6
147.11681	28.9
149.13260	54.2
151.14780	7.3
161.13251	30.3
163.14848	32.6
175.14841	14.8
177.16425	18.6
189.16396	28.4
191.17926	12.5
203.17950	21.7
217.19519	30.7
229.29144	4.4
231.21042	4.9
263.38391	3.4
273.25763	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.4
69.65285	21.9
71.95253	4.2
83.52541	3.5
84.08121	5.8
98.97576	90.7
116.98616	76.7
119.01920	9.4
120.01966	4.1
134.99644	50.2
153.00739	6.0
177.00949	7.2
190.95345	5.4
200.78323	3.9
223.06769	4.9
232.96487	11.0
234.99690	5.9
248.96109	6.0
250.97447	5.6
256.96585	25.3
258.96408	7.7
260.46808	5.7
260.96640	5.1
274.21741	4.0
274.97498	100.0
292.98526	72.0
293.01474	6.2
297.99261	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	273.2573
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03940	1.8
55.05504	17.0
57.07076	12.4
62.48039	1.1
67.05499	37.7
69.06732	2.1
69.07066	30.1
69.95574	5.3
71.08609	4.5
79.05484	21.8
79.88329	1.3
81.07052	64.6
83.08611	14.6
85.10134	1.9
91.05470	30.3
93.07036	43.4
95.04945	4.4
95.08601	76.4
95.13127	1.5
97.10146	5.7
102.08057	1.2
102.08746	1.2
103.05437	2.0
105.07022	44.5
107.08590	41.5
109.06495	2.4
109.10155	42.4
111.11713	2.7
115.05408	1.5
117.07020	7.2
119.08569	32.6
119.97242	1.5
121.06429	1.8
121.09308	2.3
121.10134	28.2
123.08076	1.3
123.11694	15.1
129.06935	2.6
131.08578	6.8
131.94551	1.4
133.10117	33.2
135.11691	21.8
137.05923	1.5
137.09529	1.5
137.13226	3.7
143.08594	3.4
144.08101	1.4
145.10126	8.6
147.08046	2.1
147.11674	35.8
149.09700	1.5
149.13252	11.8
151.14816	3.2
153.01740	2.2
157.10043	4.9
159.11668	4.4
161.09610	3.3
161.13274	29.4
163.14833	7.7
165.16348	2.9
169.03952	1.4
169.10162	1.5
171.11729	3.9
173.13191	1.7
175.14824	17.1
177.16396	10.9
179.17802	1.6
189.16391	15.2
191.17940	6.1
200.16428	1.4
203.17928	10.7
217.19514	17.1
227.17993	7.4
229.19319	1.7
231.21074	3.6
245.18939	3.2
255.17447	3.1
273.18515	15.1
273.25745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03941	2.2
55.05511	15.2
57.07073	9.9
59.84234	1.2
67.05174	2.3
67.05502	31.5
69.07064	32.2
69.37495	13.1
71.08627	3.2
79.05489	19.4
81.07056	60.7
82.77003	1.2
83.08625	14.0
85.10181	2.6
87.55429	1.2
91.05485	22.9
92.44811	1.4
93.06477	2.3
93.07044	39.6
95.04955	3.1
95.08607	74.4
97.10163	5.3
98.20511	1.3
105.07029	35.2
107.05003	3.2
107.08595	40.6
109.06533	1.7
109.10154	38.9
111.11696	2.3
118.43346	1.2
119.04951	4.0
119.08578	25.4
121.10136	30.8
121.11011	1.5
123.04432	1.3
123.11716	18.4
131.08594	1.5
133.10130	24.8
135.11691	20.4
137.13252	5.0
145.10115	3.1
147.04405	12.9
147.11679	33.8
149.13268	14.1
151.14810	2.3
153.01823	31.0
159.11621	1.9
161.13252	22.5
163.14813	11.5
165.16441	2.4
175.14827	11.5
177.16385	11.9
179.17992	1.6
189.16353	15.4
191.17938	5.4
203.17963	11.4
217.19563	16.3
231.21130	3.4
273.07541	21.0
273.25763	100.0
274.26309	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03931	2.7
55.01863	1.5
55.05510	20.6
57.06835	0.9
57.07073	8.6
65.03915	1.9
65.21729	1.1
67.05503	34.0
69.03387	1.2
69.07067	38.5
70.01910	5.5
71.08611	4.8
75.61513	1.0
79.05486	25.5
81.07051	66.7
83.04977	5.6
83.08150	1.2
83.08614	14.0
85.10168	2.9
91.05473	22.3
93.07037	43.6
95.04958	5.1
95.08601	84.3
97.02893	1.7
97.10147	7.5
105.07027	43.9
107.04940	1.2
107.08588	42.5
109.06482	2.0
109.10149	47.3
111.04433	1.5
111.11706	2.1
117.06995	4.7
119.08573	32.7
121.06522	1.2
121.10133	33.7
123.11700	18.3
128.06177	1.5
129.07039	1.4
131.08568	8.3
133.10118	34.6
135.11687	28.5
137.13246	4.7
143.08563	3.3
145.10100	7.7
147.04440	1.6
147.11670	34.8
149.13257	17.3
151.14801	1.8
153.01848	3.1
157.10121	2.2
159.11659	4.4
161.09596	3.0
161.13239	26.3
163.14827	11.9
165.16347	2.7
170.07172	1.2
171.11789	1.4
175.14809	14.7
177.16362	11.2
179.17874	1.8
187.11101	1.3
189.16360	15.5
191.17970	6.3
203.17931	12.6
217.19490	18.1
227.18051	1.7
231.21001	2.4
255.17387	3.8
273.07404	2.0
273.18552	11.0
273.25748	100.0
274.26080	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03930	3.3
55.01861	5.0
55.05509	36.9
57.03431	3.1
59.04975	1.7
65.03933	2.1
66.92836	1.2
67.05500	24.3
67.31694	1.0
69.03424	1.7
69.07063	14.4
69.91921	5.5
71.04966	3.6
77.50914	1.1
79.05486	19.5
81.06586	1.6
81.07049	26.3
83.04966	3.0
83.08620	12.7
91.05474	50.6
93.07047	19.2
95.04956	5.2
95.08596	13.1
97.06510	2.1
97.10178	5.7
98.20679	1.3
103.05445	1.7
105.07027	45.5
107.04975	2.9
107.08585	8.3
109.06499	3.2
109.10139	2.0
115.05453	7.6
116.06218	6.0
117.07013	44.7
119.04930	1.7
119.06078	1.2
119.08581	21.0
121.06483	2.9
121.10112	4.6
123.08067	3.4
125.09595	2.5
128.06209	10.1
129.07001	22.5
130.07806	12.8
131.04907	1.5
131.08560	86.2
132.08852	1.6
133.06454	5.0
133.10133	9.8
135.08034	2.3
135.11649	2.7
137.09547	1.7
141.06989	3.7
142.07748	3.4
143.08549	63.2
144.09261	2.3
145.06477	2.5
145.10120	93.2
147.08028	7.9
147.11652	4.1
149.09671	2.4
155.08559	4.5
157.10130	21.7
158.10866	1.9
159.08057	3.0
159.11679	20.3
161.09604	9.8
163.11148	2.4
165.07111	1.2
167.08517	1.7
169.10118	10.7
171.08112	1.2
171.11687	12.7
173.09550	2.5
173.13245	3.6
175.11208	4.0
181.10089	4.5
183.11691	3.5
185.09665	1.4
185.13278	6.1
187.11168	1.6
195.11679	9.9
199.11102	2.0
199.14790	1.8
211.14873	2.2
213.12831	3.0
213.16415	2.2
227.17886	5.6
231.13698	1.7
237.16360	13.5
238.16711	1.3
245.19012	3.3
255.17406	18.9
268.25043	1.4
273.18478	100.0
274.18835	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.40617	1.4
53.03931	2.2
55.05509	7.3
57.07064	3.4
62.88756	1.2
67.05506	9.4
69.03415	2.0
69.07065	9.3
70.49783	4.4
70.50178	2.8
71.04971	5.1
79.05487	8.5
81.07062	18.0
83.04966	3.8
83.08601	4.6
85.06527	4.3
91.05472	16.3
93.07037	13.9
95.04963	23.9
95.08601	16.3
97.06527	2.3
97.16786	1.3
105.06374	2.4
105.07022	22.8
107.04929	1.6
107.08587	17.4
107.57207	1.7
109.02840	1.7
109.06515	25.5
109.10143	15.8
111.08076	5.5
117.07020	8.4
119.08579	28.5
121.06510	2.1
121.10150	10.3
123.08066	27.0
123.11686	4.8
125.09618	1.9
128.06250	2.8
129.06995	5.5
130.07805	2.8
131.08569	18.8
133.06485	3.3
133.10121	18.1
135.08058	6.6
135.11662	4.1
137.05995	1.8
137.09596	6.3
141.06992	3.8
142.07741	7.3
143.08556	13.9
144.09355	2.6
145.06506	1.6
145.10112	44.5
147.08054	6.6
147.11671	19.9
149.09619	4.2
149.13217	2.3
151.07513	4.6
151.11179	2.8
153.07019	1.9
155.08551	7.0
156.09331	11.3
157.10127	25.9
158.10878	6.1
159.08044	3.9
159.11707	10.4
161.09579	5.8
161.13237	10.0
163.11243	3.7
165.06984	1.6
167.08566	3.2
168.81813	2.0
169.10107	7.2
170.10869	2.8
171.07956	2.0
171.11674	22.2
172.12393	2.4
173.09669	12.0
173.13246	29.9
174.10393	2.6
175.11180	12.3
175.14812	3.1
177.16371	1.9
181.10129	2.8
182.10907	3.4
183.11671	4.2
185.09720	2.3
185.13275	9.0
187.11197	14.3
187.14740	6.8
189.12721	21.4
189.16351	2.5
191.14145	1.6
195.11700	4.5
196.12469	3.8
197.13220	15.5
199.11182	18.0
200.12013	1.8
201.12698	2.4
203.14305	3.4
203.17946	3.2
207.11644	3.9
209.13200	2.5
211.14819	4.4
212.15543	2.6
213.12769	5.3
213.16357	11.2
215.14307	35.3
217.12170	11.9
217.19438	2.7
225.12749	3.1
227.17924	3.3
229.15871	4.4
231.17429	17.1
237.16379	4.0
243.13823	2.2
255.17459	30.9
273.18488	100.0
273.25674	13.5
274.18985	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	273.112
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
53.03938	3.2
54.70958	2.6
55.05504	10.0
57.07069	5.8
65.03931	5.0
66.92845	2.0
67.05510	16.6
68.99792	2.4
69.03432	2.9
69.07068	16.1
70.27861	9.1
79.05495	13.6
81.07065	32.6
83.08611	7.9
85.02879	2.8
91.05479	53.4
93.07039	16.4
95.04947	9.6
95.08607	29.5
97.02866	4.1
97.10175	4.1
103.05466	100.0
105.07037	20.2
107.04945	7.4
107.08598	18.3
108.02094	2.8
109.06511	2.5
109.10154	15.1
111.04453	3.1
115.05442	7.2
117.07023	34.9
119.08596	16.8
121.06498	14.5
121.10163	13.7
123.04443	6.5
123.11736	12.6
125.05990	27.7
128.06221	3.5
129.07004	9.5
130.07655	1.7
131.04927	54.9
131.08591	14.8
132.66936	2.0
133.06503	3.9
133.10129	8.0
135.04367	3.7
135.11678	8.5
137.05977	17.4
141.06961	3.2
142.07791	2.3
143.08577	13.2
145.10106	7.7
145.19156	1.9
147.08034	5.6
147.11696	5.9
149.05991	8.1
149.13251	7.2
151.03909	69.9
151.05133	3.5
155.08580	2.5
157.10123	5.4
159.11688	2.6
161.06035	3.0
161.09613	5.0
161.13240	10.9
163.11375	2.1
163.14844	9.7
165.07045	5.0
165.16327	2.7
166.07822	5.0
167.08650	5.4
171.11646	2.6
173.09575	2.6
175.14877	4.7
177.16405	4.0
189.16359	3.8
191.17929	3.4
194.07278	5.2
195.07970	3.9
200.49318	2.5
203.18039	3.8
206.95404	2.5
209.09590	7.1
211.07408	2.5
212.08240	3.6
213.16368	2.1
217.19563	7.2
227.10664	56.2
227.17990	2.5
237.09105	28.8
255.10178	10.1
255.17563	5.4
273.11115	11.8
273.18457	30.0
273.21271	3.1
273.25757	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02378	0.3
53.03960	0.3
55.01868	0.5
55.05501	0.7
64.97214	0.3
65.03925	0.7
67.01862	7.2
67.05501	0.8
68.99784	3.9
69.03420	1.9
69.07060	1.0
71.57049	0.3
71.57507	0.4
72.03613	0.2
75.23543	0.2
79.01849	0.6
79.05502	0.3
79.36689	0.3
81.03403	0.9
81.07057	1.4
83.01336	0.7
83.04964	0.3
85.02937	0.3
91.05477	7.8
93.07047	0.9
95.04955	2.5
95.08611	1.4
97.02872	1.7
97.06496	0.4
105.07011	1.1
107.04955	3.1
107.08573	1.3
109.10145	0.8
111.00821	0.7
115.05463	0.3
117.07039	0.4
119.04935	16.4
119.08571	0.7
121.02890	0.3
121.06505	2.1
121.10146	0.5
123.04428	3.7
123.11681	0.6
125.02340	1.0
127.03933	0.4
128.06212	0.4
129.01785	0.7
129.06944	0.6
131.08580	0.4
135.11656	0.9
137.05914	0.4
141.07059	0.3
145.06429	0.4
145.10152	0.4
147.04404	38.2
148.04671	0.8
149.05893	0.3
149.13226	0.4
151.03891	0.6
153.01819	100.0
154.02139	1.2
157.06468	1.0
159.11742	0.4
161.06012	0.5
163.14764	0.4
171.02879	22.1
172.03215	0.4
175.07501	1.0
179.03378	0.9
181.06451	0.6
184.05170	0.4
185.05983	1.1
189.05463	1.9
189.16406	0.3
197.05907	0.3
198.06682	0.3
203.07034	0.8
203.18048	0.4
203.39511	0.3
207.06525	0.4
209.05827	0.4
213.05504	1.4
213.08965	0.6
217.19460	0.5
227.06799	0.3
231.06506	18.9
232.06909	0.3
241.08582	0.6
255.06421	0.7
273.07553	59.9
273.25812	1.4
274.07877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
50.30515	0.3
53.03939	0.4
53.12238	0.3
55.01871	0.8
55.05507	0.7
56.96550	0.5
57.03426	0.4
58.95033	0.3
67.01864	19.8
67.05487	1.1
68.99785	9.1
69.03427	2.2
69.07085	1.5
70.62714	0.8
70.97772	0.3
79.01836	0.5
79.05481	1.2
81.03407	2.0
81.07047	1.4
83.01344	1.5
83.08591	0.5
91.05482	5.4
93.07034	1.3
95.04971	1.7
95.08611	1.4
97.02889	2.9
97.06516	0.4
105.07058	1.5
107.04944	4.0
107.08590	1.1
109.10144	1.3
111.00788	0.9
111.04442	1.1
117.07054	0.5
119.04942	8.0
119.08586	1.7
121.02866	1.1
121.06505	4.5
121.10138	1.1
123.04427	2.0
123.11726	0.4
125.02354	3.0
127.03965	1.5
129.01830	2.2
130.07841	0.3
131.08577	0.8
133.10132	0.8
135.11693	0.4
137.05902	0.3
143.08614	0.4
145.10121	0.6
147.04404	19.7
147.11699	0.6
149.06018	0.5
149.13232	0.5
151.03802	0.4
153.01822	87.7
153.06944	1.2
154.02173	1.4
157.10115	0.5
161.05922	0.4
161.13286	0.4
163.07497	0.4
163.14859	0.4
167.03418	0.4
171.02878	100.0
172.03169	1.5
177.16458	0.4
177.57079	0.3
179.03409	3.1
181.06522	1.2
189.05452	0.9
213.05516	0.4
213.09096	1.0
217.19566	0.5
231.06570	1.4
241.08502	0.6
255.06824	0.4
273.07559	37.3
273.18594	1.3
273.25757	0.9
274.08017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01859	0.5
55.05507	0.5
65.03926	0.7
67.01864	3.0
68.99799	2.2
69.03429	2.1
69.07055	0.5
71.57098	0.6
72.08135	0.3
73.43896	0.3
79.05493	0.4
79.10665	0.3
81.07063	0.4
83.01358	0.3
91.05479	7.9
93.07075	0.3
95.04974	2.5
97.02866	1.7
105.07027	0.5
107.04947	2.2
111.00800	1.0
119.04939	18.7
121.02899	0.5
121.06498	0.8
123.04423	3.9
125.02393	0.4
125.09626	1.0
128.10695	0.5
130.12737	0.3
139.07562	0.4
147.04405	42.3
148.04716	0.7
151.03937	0.9
153.01822	100.0
154.02141	1.4
171.02890	6.6
171.04234	0.3
179.03348	1.0
181.06432	0.8
189.05473	1.1
231.06735	0.4
255.06602	0.7
273.07559	63.0
274.07916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
53.48812	2.8
55.01865	4.3
55.05235	3.1
55.05507	61.4
56.68487	3.0
56.96561	15.2
57.03431	4.7
57.07057	12.6
67.05182	3.4
67.05504	51.5
69.07067	79.5
71.04975	4.4
71.08807	3.5
79.05496	26.0
81.06584	5.2
81.07053	95.6
83.04981	2.8
83.08614	43.9
85.06499	5.4
91.05476	28.0
93.07039	35.0
95.04950	3.9
95.08605	100.0
97.06522	5.1
97.10169	37.1
98.97580	5.6
99.08077	5.1
105.07027	43.9
107.08594	42.9
109.06545	5.7
109.10151	48.6
111.08047	3.6
111.11732	14.6
116.98660	4.4
117.07024	8.1
119.08582	44.9
121.10147	41.8
123.11678	22.9
126.03349	2.8
131.00244	3.7
131.08562	18.4
133.10141	37.3
135.04387	8.3
135.11682	26.0
137.09633	4.3
137.13232	4.4
138.48227	2.8
139.11215	6.1
143.08530	3.9
145.10138	20.8
147.11685	32.2
149.01193	14.9
149.13245	17.1
151.11131	9.3
151.23381	3.1
153.06998	3.7
153.12743	4.7
155.08598	3.1
157.10121	5.8
159.07997	7.9
159.11694	20.5
160.12585	3.5
161.13257	37.6
163.03914	30.6
163.14796	10.2
165.07031	7.3
165.12666	4.8
167.02278	9.5
173.13232	13.7
175.14810	23.8
177.16402	7.6
178.50978	3.4
179.14320	3.7
181.06352	2.8
183.07999	4.1
185.09686	3.1
187.14819	12.6
189.16409	8.7
197.06041	3.4
201.16344	15.2
203.93915	2.8
211.07565	5.7
215.17969	23.1
217.19490	17.0
229.19452	6.6
235.20612	13.8
239.06947	3.8
243.10147	8.7
253.21632	5.7
271.05914	7.3
271.09460	12.0
271.16873	4.6
271.24182	91.3
289.09485	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
53.72673	1.0
55.01862	3.8
55.05510	41.4
55.97376	1.2
57.03435	26.9
57.07066	3.0
64.08851	0.8
65.03926	2.8
67.05502	62.3
69.03429	1.8
69.07065	37.4
71.02174	2.1
71.02511	1.2
71.04990	12.6
71.08636	1.0
73.02914	1.1
73.06577	0.9
79.05490	31.4
81.07053	95.5
83.04981	4.8
83.08144	1.6
83.08619	21.3
85.06529	9.9
91.05478	29.0
93.07041	30.2
95.04984	5.6
95.08604	100.0
96.08948	2.2
97.06525	14.8
97.10184	5.8
98.97565	1.2
99.08095	4.4
105.07022	27.0
107.04930	1.9
107.08587	17.0
109.06529	3.3
109.10151	20.5
111.08096	4.3
113.09665	1.3
115.07546	1.2
116.98620	1.3
117.07027	4.5
119.04944	0.9
119.08578	28.4
121.06509	1.9
121.10150	11.1
123.08085	5.9
123.11675	4.5
125.09672	1.9
127.07543	1.4
129.07004	1.5
131.08582	8.3
133.10123	21.9
133.11081	1.6
135.11670	10.8
137.05978	2.6
137.09631	4.1
137.13252	7.4
141.06985	1.3
143.08513	1.5
145.10123	9.7
147.11697	6.1
149.13255	4.4
153.07011	4.2
155.08543	1.5
157.06543	1.4
157.10103	2.2
159.08064	2.1
159.11690	10.3
161.13252	32.0
163.03877	1.6
163.14841	1.3
165.06996	6.4
168.05659	1.9
169.10043	1.2
171.11636	1.2
173.13339	4.9
175.14824	3.4
177.16418	1.5
179.14276	9.1
181.06523	1.7
183.08022	5.9
187.14778	4.5
189.16396	3.4
197.05933	1.2
201.16386	3.8
211.07500	5.6
215.17981	6.7
219.04625	0.9
219.50836	0.9
221.06029	1.2
243.10124	1.1
243.20918	1.0
253.18121	2.2
271.06073	5.4
271.09717	9.4
271.19086	38.7
271.24130	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01858	3.2
55.05509	43.0
56.96552	2.8
57.03434	26.5
57.07070	3.5
59.04997	1.0
63.33481	1.0
65.03933	2.5
67.01844	1.3
67.05502	67.0
69.03402	1.9
69.07065	34.2
70.20470	3.4
71.04983	12.0
71.08606	1.1
73.06533	2.7
77.84444	0.9
79.05487	30.5
81.03439	1.0
81.07052	91.3
83.04980	5.7
83.08616	25.6
85.02883	0.9
85.06534	9.3
87.04433	1.2
91.05474	29.5
93.06482	1.6
93.07040	25.1
95.04967	4.8
95.08601	100.0
97.06528	12.7
97.10156	5.8
98.97590	1.0
99.08095	3.8
105.07027	23.1
107.04913	1.2
107.08587	13.2
109.06516	4.6
109.10146	18.2
109.33035	0.9
111.08092	4.3
111.11710	1.0
113.09639	1.7
115.05386	1.1
115.07535	1.2
117.07023	5.2
119.04921	5.4
119.08573	30.6
121.02873	3.5
121.10130	9.8
123.04476	1.3
123.08069	5.3
123.11730	5.8
124.46979	0.9
127.07515	1.7
129.06996	2.2
131.04839	0.9
131.08563	5.6
133.10126	18.4
135.11682	11.6
137.05952	8.6
137.09598	3.4
137.13193	6.4
141.06989	1.6
144.05821	1.1
145.02850	2.0
145.10127	5.0
147.04410	1.1
147.11707	4.5
149.01274	2.0
149.02293	1.6
149.13260	4.6
151.11227	1.4
153.01799	8.9
153.07065	1.4
155.08548	1.2
157.10143	1.4
159.08047	8.8
159.11702	6.0
161.05923	1.2
161.13246	25.6
163.03862	4.0
163.14838	2.8
165.07045	3.6
167.02274	1.9
169.06561	1.2
173.13222	3.0
175.14809	3.0
179.14284	6.8
183.08136	1.1
183.11644	1.0
185.09541	1.4
185.13228	1.2
187.14859	2.7
189.16391	2.5
197.05997	1.3
201.16370	3.4
211.07480	2.4
215.06969	2.4
215.18011	5.8
225.05415	1.4
243.06532	2.4
243.10086	0.9
253.04973	1.1
253.18024	1.0
271.06006	72.4
271.09335	4.0
271.19086	36.0
271.24075	23.2
272.06290	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	271.1691
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
52.45068	1.1
53.03930	1.1
55.05497	4.7
56.96575	1.0
57.03439	7.2
57.07066	1.7
67.05492	9.1
69.07061	3.3
71.57222	2.0
79.05492	6.5
81.07049	8.6
81.66228	1.1
83.08598	2.2
86.06032	1.2
86.44498	1.4
91.05476	12.2
93.07028	4.9
95.04916	2.5
95.08595	3.8
97.10130	1.2
100.07607	2.0
103.05504	1.1
105.07018	6.7
107.04924	1.7
107.08588	4.3
109.06525	2.3
109.10127	3.8
115.05451	3.6
115.13239	1.1
116.06241	2.5
117.07020	13.1
119.04967	2.1
119.08575	7.8
121.06493	1.3
121.10128	2.4
123.04430	1.6
128.06203	3.0
129.06987	8.8
131.08553	5.1
133.06473	2.8
133.10132	3.8
135.08072	6.1
137.05952	11.1
141.06989	3.9
142.07724	2.1
143.08546	3.9
144.05705	12.1
145.06474	3.8
145.10107	5.7
147.08034	3.0
147.11626	1.2
151.04044	1.8
155.08577	3.9
157.06549	3.0
157.10152	3.2
159.08051	100.0
159.11655	2.2
160.08366	2.4
161.05907	1.4
161.09560	2.0
165.06905	1.2
167.08591	1.7
169.06471	1.3
169.10123	3.6
171.08080	1.1
171.11661	2.3
173.09601	8.1
175.07524	2.3
183.08023	1.3
183.11726	2.7
185.09605	9.3
187.14706	1.7
197.09660	3.7
197.13309	1.8
199.11189	3.8
211.11203	3.8
211.14815	1.2
215.14337	3.4
225.12643	1.5
225.16370	3.2
241.93353	1.1
242.32362	1.2
243.10117	1.6
243.17416	2.7
253.15887	8.3
253.19418	1.5
254.24782	4.8
271.05969	5.1
271.09149	1.8
271.16925	65.8
271.24255	3.8
272.17441	2.0
272.25839	1.7
289.86435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05505	1.7
58.83501	0.6
59.44566	0.6
62.15894	0.7
67.05485	2.7
69.07053	0.9
79.05484	1.9
81.07046	3.5
91.05475	2.3
93.07004	1.5
94.06543	0.7
95.04962	1.0
95.08590	1.5
96.08118	1.1
105.07004	2.0
106.06544	1.0
107.08607	1.0
108.08105	3.1
109.06512	1.3
109.10138	1.5
111.64889	0.7
117.06996	1.4
118.06532	2.1
119.08571	1.6
120.08081	1.0
121.10161	0.8
122.09721	0.8
122.85215	0.6
124.07593	0.8
124.64408	0.6
129.06989	2.0
131.08585	0.7
133.10114	1.7
135.08037	0.8
137.05995	4.3
142.07739	1.2
144.08052	1.5
145.10104	1.0
147.06830	0.9
151.03867	0.8
154.06462	0.9
155.08427	0.9
156.09392	1.3
157.10121	1.7
159.08052	4.3
159.11690	1.2
167.94691	0.8
168.08060	8.0
169.08841	3.4
170.09674	0.9
171.11679	0.9
172.07588	0.7
173.09601	0.8
181.10072	1.2
182.09680	2.8
183.10431	11.8
184.09923	1.4
185.10751	1.3
186.05489	1.3
196.07565	1.5
197.08406	3.7
198.07745	0.9
198.12781	9.7
199.08675	4.2
199.12328	1.7
210.09105	1.0
211.10025	3.9
212.09323	3.9
213.10234	9.6
214.10992	2.8
215.15503	3.5
226.12315	15.9
227.08305	1.5
227.11772	28.9
228.12549	23.5
240.08862	2.4
241.09576	2.2
241.13292	1.3
242.10358	1.2
243.14932	16.7
253.13329	1.5
254.11700	1.0
255.11272	59.8
256.12048	63.8
257.12158	1.2
269.12769	1.9
271.06314	3.7
271.14395	100.0
271.24179	3.0
272.14688	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
53.03953	0.4
55.01860	0.6
55.05497	0.8
57.07076	0.4
65.03929	1.4
67.05499	1.8
68.61878	0.3
68.99791	2.1
69.07064	1.2
69.46856	0.3
69.47195	2.5
79.05479	0.8
81.03434	0.3
81.07054	2.8
83.08595	0.4
91.05489	2.2
93.07049	2.0
95.04970	2.1
95.08601	2.4
98.76595	0.3
105.03355	0.3
105.07040	2.2
106.06531	0.4
107.08611	1.3
108.02093	4.2
109.10143	1.6
111.04430	1.7
117.07018	0.3
119.04964	2.1
119.08560	1.4
121.02868	1.0
121.03971	0.6
121.10143	1.1
123.04427	1.6
123.11704	0.7
124.07558	0.6
131.08562	1.0
133.10123	1.4
134.06010	0.5
135.11722	0.5
137.05931	0.3
145.10172	1.4
147.04408	3.3
147.11707	1.1
148.07574	1.1
149.13234	0.6
151.03899	100.0
152.04247	1.3
154.02626	2.1
155.08592	0.3
157.10114	0.3
159.08078	0.6
159.11713	1.1
161.13260	1.3
163.14844	0.4
164.07002	0.4
165.07039	0.6
168.05650	2.1
173.05876	0.3
173.13298	0.6
175.14845	0.8
181.06453	0.4
182.07219	0.3
183.08038	0.7
185.05885	1.0
187.14764	0.5
196.05203	4.5
197.05951	2.4
200.08275	0.5
201.16393	1.1
210.43678	0.3
211.07545	9.6
212.04625	0.6
212.08144	0.8
213.05243	3.1
214.06198	0.4
215.17989	0.9
221.05914	0.3
225.05548	1.3
227.06998	1.9
228.07433	5.5
229.04997	0.3
239.07027	5.4
240.07779	5.5
241.04886	0.7
243.10175	0.5
243.14943	0.5
255.06488	0.3
256.07117	5.8
271.09589	39.9
271.24210	4.3
272.09976	1.2
289.15466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
51.80298	0.2
52.03137	0.2
53.03937	0.9
55.05497	0.3
65.03934	0.5
66.04714	0.7
67.05506	1.3
68.99786	0.4
70.73845	0.7
79.05486	5.0
81.07051	2.9
91.05464	1.0
93.07020	0.3
94.04173	1.8
95.04969	2.2
95.08552	0.3
100.17581	0.2
105.03360	0.4
105.04539	0.2
105.07039	0.4
107.04938	0.8
107.08639	0.3
108.56480	0.2
109.06509	12.0
109.10140	0.5
111.79983	0.2
118.04150	0.3
119.04935	0.8
119.08525	0.2
121.06472	1.0
123.04418	10.6
131.04933	0.5
131.08578	0.3
133.06506	0.5
133.10136	0.3
135.04379	0.7
137.05966	100.0
138.06285	1.5
141.06989	0.3
144.05652	0.3
146.03647	0.2
147.04399	6.9
149.05948	1.6
153.06963	0.2
159.08043	1.2
161.05969	10.1
162.06670	0.5
163.03880	1.5
165.07005	0.4
177.05484	0.8
183.07941	0.3
197.05989	0.3
197.55023	0.2
210.06689	0.4
211.07585	0.3
213.05614	0.3
225.09116	0.3
228.07899	0.3
241.04950	0.4
243.10150	1.9
253.08652	0.3
256.07153	0.4
258.07190	0.2
271.09625	7.3
271.16949	0.4
271.24188	0.5
272.09763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Genistein
Peak:m/z	Relative Intensity
51.47501	0.2
55.01863	0.2
55.05497	0.5
57.03417	0.2
65.03930	0.7
67.01857	1.2
67.05502	0.8
68.99788	1.6
69.03405	0.2
69.07051	0.5
69.68240	1.1
71.04982	0.3
79.05476	0.5
81.03432	0.3
81.07057	1.1
83.08616	0.3
89.03919	0.3
91.05473	5.9
93.07031	0.5
95.01321	0.3
95.04968	0.2
95.08600	1.0
97.02863	0.2
98.21475	0.4
103.05483	0.3
105.03358	0.3
105.07011	0.5
105.11599	0.2
107.04942	1.2
107.08624	0.2
109.02889	0.3
109.06484	0.5
109.15477	0.2
109.65451	0.2
111.00785	0.6
115.05452	0.4
117.03342	0.2
117.07006	0.2
119.04935	2.0
119.08567	0.3
121.02875	2.3
123.04446	0.6
127.03854	0.2
128.01404	0.2
129.06947	0.2
131.04877	1.0
131.08563	0.6
133.02872	0.3
133.06480	0.2
135.04382	0.4
137.02327	0.5
137.05981	2.9
137.13249	0.2
141.06995	1.8
144.05716	0.3
145.02846	2.4
145.06453	0.5
145.30096	0.2
147.04391	0.7
147.08049	0.4
149.02339	4.0
150.03046	0.2
153.01820	13.5
155.04921	0.3
157.06291	0.2
159.04413	2.2
159.08046	0.9
161.05986	0.6
161.13226	0.3
163.03857	0.2
165.01842	1.0
168.05743	0.3
169.06465	3.0
171.02844	0.3
173.06018	0.5
175.07504	0.4
177.05493	0.3
181.06456	0.3
183.02888	0.3
183.04424	0.3
185.05952	0.3
187.03896	0.4
187.07529	0.9
191.03339	0.2
197.05980	3.0
200.04640	0.6
201.05444	0.3
213.05402	0.3
215.07014	9.3
225.05412	0.7
226.06276	0.2
229.08586	0.4
243.06508	5.6
253.04941	3.5
271.05991	100.0
272.06320	2.6
294.16031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0596
Annotation	Genistein
Peak:m/z	Relative Intensity
51.23434	0.1
53.03922	0.1
55.01862	0.4
55.05509	0.1
56.96538	0.2
65.03925	0.9
67.01859	1.0
67.05503	0.2
68.99436	0.1
68.99789	2.1
69.03413	0.3
69.07062	0.2
69.32125	0.3
69.32545	0.7
71.01362	0.1
71.05000	0.2
79.05484	0.3
81.03405	0.4
81.07037	0.3
85.02890	0.1
85.06539	0.1
89.03912	0.5
89.35918	0.1
91.05475	8.7
92.05794	0.1
94.04192	0.1
95.01327	0.3
95.04942	0.2
95.08623	0.2
97.02891	0.2
103.05470	0.4
103.98846	0.1
105.03384	0.3
105.07026	0.4
107.04955	1.0
107.08562	0.2
109.02861	0.3
109.06515	0.1
109.10161	0.2
109.97047	0.1
111.00796	0.6
115.05441	0.7
117.07036	0.5
118.04126	0.2
119.04936	2.5
119.08566	0.4
121.02852	1.7
121.10217	0.1
123.04346	0.1
127.04026	0.1
128.06213	0.4
129.06981	0.5
131.04919	1.0
131.08556	0.5
133.02858	0.4
133.06551	0.1
133.10127	0.2
134.99611	0.1
135.04407	0.6
137.02338	0.4
137.05959	0.4
141.06973	2.5
143.08527	0.2
144.05687	0.3
145.01756	0.2
145.02835	3.0
145.06442	0.8
147.04425	0.6
147.08086	0.5
149.02333	5.5
150.03061	0.2
152.06209	0.2
153.01817	16.6
153.06985	0.3
154.02133	0.2
155.04912	0.5
155.08507	0.2
157.06435	0.2
159.04416	2.1
159.08038	0.8
161.13254	0.2
165.01823	1.2
165.07004	0.4
168.05663	0.3
169.06473	3.4
172.05212	0.1
173.05974	0.8
175.07565	0.5
177.05421	0.2
178.02571	0.1
181.06514	0.3
183.02907	0.3
183.04411	0.5
183.08031	0.1
185.04407	0.1
185.05989	0.4
187.03949	0.5
187.07530	1.2
187.14841	0.1
191.03456	0.1
196.05246	0.1
197.04135	0.2
197.05963	3.7
198.06647	0.2
200.04645	0.7
201.05440	0.5
205.05022	0.1
211.03859	0.2
211.07614	0.2
213.05458	0.5
215.07013	11.2
216.07382	0.2
219.06485	0.2
225.05438	1.1
226.06271	0.3
227.07097	0.3
228.04160	0.2
229.04877	0.2
242.05727	0.2
243.06509	7.8
244.06874	0.2
247.06091	0.2
253.04938	3.5
254.05386	0.2
271.05988	100.0
271.24203	0.4
272.06335	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	270.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01869	0.7
55.05505	0.8
56.05022	1.8
56.96561	1.3
57.03432	1.5
60.04519	0.2
64.19410	0.2
67.05499	0.7
68.05025	1.2
69.03423	0.8
69.04530	0.2
69.07065	12.6
69.42107	0.2
70.06586	2.2
71.04999	0.8
71.56723	0.3
71.95260	0.2
72.08154	0.4
73.02924	0.4
73.06557	2.4
75.25267	0.2
77.88323	0.2
79.05493	1.9
80.05011	0.6
81.04534	1.8
82.05309	3.1
82.06593	0.3
83.06098	11.5
84.04475	0.2
84.06413	0.3
84.08113	0.4
85.02884	0.8
85.06522	0.2
86.09691	0.6
92.03296	0.2
93.04522	6.7
94.06577	0.3
95.06085	20.6
97.02900	0.5
97.06530	7.7
98.97569	0.6
105.04508	0.3
107.06071	3.6
109.06395	1.4
109.07636	0.6
110.07157	75.9
111.05561	2.3
111.06828	0.5
111.07496	3.3
112.08720	3.1
114.05447	0.2
115.02425	0.2
115.07552	0.3
116.98599	0.5
119.01897	1.0
119.06058	1.6
121.07617	1.3
122.06268	0.2
122.07137	1.2
122.08433	0.3
123.09175	0.9
127.08601	0.2
131.06050	1.0
132.06815	0.8
133.03430	0.5
133.06517	0.3
133.07597	5.4
134.07112	0.6
134.09647	0.2
134.99631	0.3
135.07913	0.3
135.09161	0.6
136.06140	0.4
136.07545	0.4
137.07932	0.5
138.05493	0.5
138.06610	0.5
139.05023	0.4
145.03537	0.2
145.07570	0.5
146.07166	0.5
148.08690	1.8
149.07056	0.3
149.09450	0.3
149.10728	0.3
150.10272	1.3
152.07005	0.3
156.07698	8.0
157.08063	0.4
161.02870	0.3
161.10719	1.4
162.09111	0.6
162.36609	0.2
163.02034	0.2
163.08652	0.8
165.06563	0.3
165.10252	0.6
166.05956	0.3
167.11746	0.3
171.09143	0.9
178.13390	0.7
179.11786	16.7
180.12103	0.2
188.11816	2.6
189.10219	2.1
191.03897	0.2
191.11774	0.2
196.12056	3.6
197.12865	1.4
206.12872	10.8
207.11343	0.3
207.13342	0.3
208.14517	0.2
209.12831	5.9
224.13919	69.9
225.12300	3.0
225.14230	1.0
226.15475	2.3
235.10858	0.4
252.13391	4.0
253.11722	0.5
270.14456	100.0
271.14755	1.7
282.67599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26957	0.9
51.68151	0.8
55.01860	1.9
55.05502	1.6
55.82719	0.8
56.05022	4.1
56.96297	1.3
56.96564	16.3
57.03419	4.2
60.04524	1.3
61.02915	3.5
68.05028	1.5
69.03428	5.5
69.06718	1.5
69.07063	12.7
70.06587	8.1
71.04972	2.6
72.08132	2.6
73.02907	2.9
73.06537	1.6
77.00891	1.0
79.05493	1.9
80.04998	1.5
81.03403	3.5
81.04543	2.2
82.05304	2.5
82.06585	1.4
82.56535	0.9
82.98429	0.9
83.06100	13.5
84.04498	1.9
84.08119	2.7
85.02898	7.2
86.09694	1.9
87.04433	1.0
88.02202	3.1
88.03961	1.1
93.04532	8.5
94.06555	1.5
95.04991	1.2
95.06089	20.7
97.02882	3.9
97.06535	7.2
97.99129	0.9
98.06062	1.6
98.97036	0.9
98.97565	6.1
101.00852	1.4
101.02400	1.0
105.06985	0.9
107.06084	3.7
109.02863	1.2
109.06366	1.8
110.07163	81.5
111.05579	2.1
111.07506	3.6
112.07568	1.6
112.08707	3.6
112.57586	0.9
115.02435	2.6
116.07071	1.4
116.98612	6.5
116.99715	1.7
119.01909	12.1
119.04926	0.9
119.06080	1.9
120.02013	1.1
121.07610	1.4
122.07137	2.1
122.53472	1.0
127.03909	2.1
128.02180	1.0
128.98561	2.6
131.01860	2.3
131.06059	1.9
133.03471	5.1
133.07596	5.3
134.02727	2.4
134.05940	1.0
134.99637	6.0
135.00772	3.2
136.06166	1.2
136.07565	2.7
137.02989	4.5
137.07915	1.8
138.05547	1.1
139.03932	1.5
142.03514	1.7
143.01874	1.2
145.03430	1.8
146.99643	3.5
148.08717	2.0
149.02940	1.2
149.10706	1.1
150.10236	1.0
156.06613	1.0
156.07710	12.7
157.07974	1.1
158.06583	2.7
158.99660	1.6
160.97588	1.0
161.02992	1.8
161.10742	1.5
163.08635	1.0
165.00723	1.1
168.99803	1.0
172.99173	1.5
173.02954	1.5
174.04465	1.4
176.05190	1.0
176.07681	3.4
177.00659	2.1
179.11797	19.7
182.03008	1.1
187.00847	1.7
188.07637	3.1
188.11813	2.9
189.02194	1.2
189.04489	1.7
189.10278	1.3
190.98618	1.0
191.03786	1.4
193.00214	4.8
196.12048	2.2
197.12827	1.4
201.00693	1.2
203.03883	1.2
204.05370	1.1
205.00140	1.3
205.01884	1.5
206.12885	12.4
209.12831	5.4
215.00488	2.2
219.01859	1.6
221.05141	1.3
224.10756	2.1
224.13936	65.4
225.12331	3.2
225.14351	1.1
226.15497	2.7
243.99022	1.3
247.02771	1.4
252.13388	3.7
265.03656	1.2
270.14481	100.0
271.14706	1.6
288.09109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	3.4
55.01866	4.3
55.05506	27.5
57.03433	42.5
57.07070	4.4
67.05499	80.5
69.07065	30.0
70.82604	4.5
71.04976	8.2
79.05491	50.3
79.30106	1.9
81.07051	100.0
83.04967	7.0
83.08611	17.7
85.06534	5.0
90.30952	1.9
91.05475	27.6
93.07036	80.6
93.07635	3.9
95.04971	8.1
95.08601	29.4
97.06512	15.9
97.10148	4.5
99.08051	3.7
105.07028	12.0
107.04993	1.9
107.08589	38.8
109.06499	2.5
109.10114	4.5
111.08072	7.7
117.07005	8.9
119.08597	3.8
121.10135	23.3
123.11704	4.8
131.08568	14.5
133.10141	11.5
135.11697	10.2
135.75829	2.0
139.11186	2.4
145.10112	2.3
147.11697	4.7
149.13254	49.6
149.14394	4.0
157.10124	2.6
159.11684	19.6
161.13155	2.7
173.13242	2.6
177.12746	7.4
195.13779	8.3
269.17404	30.1
269.22583	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	6.6
55.01848	3.8
55.05307	2.1
55.05513	24.3
57.03441	35.0
57.07058	8.5
65.03924	2.7
67.05504	80.8
69.07063	36.3
71.03184	6.6
71.04958	6.1
79.05492	52.8
81.07055	100.0
83.04971	13.0
83.08616	16.5
83.09035	2.6
85.06536	7.0
86.27943	2.2
87.63535	2.6
91.05478	27.8
93.06483	4.4
93.07044	75.9
95.04951	8.8
95.08609	28.3
97.06531	15.5
99.08089	4.3
105.07011	10.5
107.08599	48.9
109.06499	4.0
109.10074	2.6
111.08073	7.0
111.11672	2.4
114.18467	2.6
117.06987	7.6
121.10135	22.8
123.11661	4.4
128.60643	2.1
131.08549	9.2
133.10196	11.1
135.11655	10.0
139.11099	3.5
145.10155	3.1
147.11673	3.1
149.13266	51.6
150.77383	2.2
157.01291	2.6
159.11723	20.6
177.12790	5.2
179.79726	2.2
195.11949	2.6
195.13794	10.7
218.00854	2.7
226.06221	3.3
228.89873	2.6
253.05032	2.9
254.05901	2.5
269.08035	19.2
269.17279	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.5
55.01880	2.5
55.05511	22.4
56.96565	1.4
57.03433	32.6
57.07064	4.1
58.28387	1.1
65.03936	2.3
67.05501	73.9
69.03427	1.8
69.07063	31.0
69.84246	6.2
71.04991	7.0
79.05488	47.9
81.03432	2.4
81.07050	100.0
82.07380	1.5
83.04965	10.6
83.08617	18.5
85.06549	5.6
86.23836	1.1
91.05478	31.0
93.07037	63.3
95.04964	7.7
95.08606	27.3
97.06523	16.5
97.10148	2.5
99.08082	2.8
103.07330	1.1
105.04520	1.2
105.07030	12.1
107.08586	39.1
109.06532	5.2
109.10148	6.7
111.08073	7.5
117.07019	10.8
119.08571	5.3
121.06554	2.8
121.10136	20.5
123.11733	3.5
125.09688	1.8
127.07562	1.8
131.08559	14.2
133.10117	15.1
135.08043	1.4
135.11691	11.8
139.11185	1.8
142.07755	1.7
142.65146	1.4
145.10107	2.0
147.11674	1.5
149.13246	34.5
149.14375	2.3
151.11179	2.8
157.10100	1.4
159.11673	20.7
161.13297	1.6
167.14339	1.8
171.11649	2.2
177.12717	8.1
184.05177	1.7
185.13289	1.9
195.13785	10.3
198.06880	1.6
199.14804	1.6
212.04628	7.2
227.07025	15.8
241.08543	2.3
255.06493	12.7
269.08063	7.6
269.17450	28.7
269.22247	7.1
270.08890	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.80220	1.6
53.03946	4.0
55.01871	3.3
55.05506	21.1
57.03437	36.7
57.07063	2.9
67.05502	81.9
69.03440	1.9
69.07066	28.5
71.04976	7.2
71.09069	2.7
71.09404	2.4
79.05492	47.4
81.07053	100.0
83.04962	9.1
83.08621	16.6
85.06538	7.2
91.05482	22.4
92.54523	2.1
93.07042	73.7
95.04949	8.0
95.08608	26.2
97.06519	15.3
99.08093	2.7
105.07012	7.3
107.05020	1.7
107.08591	40.5
109.06507	3.7
109.10147	4.5
111.04443	2.2
111.08067	10.1
111.11714	2.1
111.73267	1.8
113.71626	1.7
117.07015	10.1
119.08585	3.2
121.10126	25.9
131.08556	11.4
133.10130	7.8
135.11694	10.2
139.11253	3.6
147.11746	2.7
149.13257	46.3
157.10028	2.5
159.11665	16.3
167.14354	2.1
177.12740	7.3
195.13800	7.7
269.07950	2.2
269.17474	23.0
269.22552	4.1
293.30429	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	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.13249	3.2
53.03944	5.7
54.82431	3.4
55.05516	24.7
57.03439	40.5
57.07077	6.6
67.05173	5.6
67.05506	78.4
69.07062	33.3
71.04971	6.4
79.05492	47.8
81.07053	100.0
83.04977	14.1
83.08608	19.3
85.06553	8.7
91.05475	25.2
93.07043	81.9
95.04939	9.1
95.08604	28.2
97.06528	16.0
98.21552	6.7
99.08062	4.6
104.99271	5.5
105.07024	10.3
107.08601	43.7
109.10191	4.5
111.08075	5.1
117.07013	10.2
121.10168	26.9
131.08598	11.0
133.10155	10.7
135.11700	9.8
135.83418	3.8
147.11661	4.1
149.13260	45.2
153.62880	4.4
159.11703	18.9
177.12732	9.1
195.13950	8.6
211.10809	4.4
223.53552	4.2
269.08157	15.8
269.17441	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69156	1.1
51.02384	1.2
52.23643	1.2
53.03924	3.8
55.01854	4.4
55.05507	22.9
57.03435	33.0
57.07059	4.2
57.81414	1.2
65.03944	2.1
67.05501	74.6
69.03419	1.6
69.07066	30.7
70.01418	2.5
70.01840	5.1
71.01331	1.5
71.04984	6.3
79.05488	50.3
81.03400	3.3
81.07049	100.0
82.07385	1.6
83.04982	9.0
83.08619	18.3
85.06528	5.5
91.05473	24.7
93.07037	68.2
95.04967	10.5
95.08598	30.4
97.06522	14.7
97.10145	3.1
99.08074	5.0
105.07025	11.6
107.04934	3.5
107.08595	34.5
109.06502	5.2
109.10132	4.3
111.08059	6.0
113.61716	1.3
117.07008	11.1
118.04164	6.4
119.08563	2.8
121.06474	2.0
121.10126	20.9
123.08123	1.5
123.11680	3.0
131.08575	12.5
133.10130	8.6
135.08008	1.7
135.11670	9.7
139.11160	1.6
145.10117	2.0
147.11670	1.8
149.13252	39.6
151.11157	1.5
154.02530	1.6
157.10101	2.1
159.11676	21.2
169.67670	1.3
170.07150	1.6
171.11726	1.3
173.13374	1.8
177.12715	8.3
181.06468	2.1
187.14803	1.4
195.13828	10.0
195.15393	2.1
197.05922	5.6
198.06715	4.4
213.09181	7.3
213.14662	1.8
225.05542	2.4
226.06230	5.4
237.05397	8.6
251.14670	2.1
251.28473	1.3
253.05095	7.0
254.05650	7.5
269.08063	89.2
269.17477	24.4
269.22522	4.4
270.08487	6.8
270.17731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.78501	1.2
53.03936	2.9
55.01860	2.3
55.05261	2.1
55.05507	25.3
57.03438	31.7
57.07061	5.2
65.03950	3.4
67.05503	80.8
69.03416	2.1
69.07067	31.2
71.04991	6.7
71.31078	3.2
79.05491	47.6
81.07055	100.0
83.04970	11.9
83.08619	18.3
85.06548	5.1
91.05480	32.4
93.07040	65.5
95.04964	9.7
95.08047	2.6
95.08602	27.4
97.06528	18.5
97.10198	2.6
99.08086	4.5
105.04533	1.4
105.07030	12.1
107.04950	1.8
107.08591	37.0
109.06517	2.3
109.10146	4.8
111.08076	7.8
117.07006	11.3
119.08626	3.5
121.06493	2.4
121.10139	15.4
123.11714	2.7
129.07016	1.4
131.08563	12.8
131.89005	1.6
133.10127	14.8
135.08037	1.9
135.11665	9.5
142.07742	1.6
143.08524	2.7
145.10127	2.0
149.09679	1.9
149.13258	37.5
151.11143	2.3
153.09145	1.3
157.10104	2.2
157.88785	1.6
159.11678	23.2
171.11668	1.5
177.12727	7.2
195.13799	14.2
199.14870	1.7
213.09161	2.3
213.16432	1.9
223.07005	1.4
226.06207	1.6
237.05331	1.9
253.05168	1.7
269.08096	17.2
269.17450	35.4
269.22311	9.6
290.84360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.60940	1.1
53.03935	3.6
55.01850	3.1
55.05506	23.8
57.03432	33.0
57.07060	3.3
58.82891	1.0
65.03923	2.5
67.05500	74.8
68.81424	1.0
69.03439	1.3
69.06725	1.8
69.07065	27.3
70.29636	4.4
71.04989	5.6
79.05487	49.6
81.03415	3.2
81.07051	100.0
81.30993	1.2
82.07405	1.9
83.04974	11.4
83.08617	19.6
85.06532	4.7
85.33135	1.1
91.04903	1.6
91.05470	31.2
93.07037	67.6
94.07353	1.4
95.04951	6.9
95.08601	27.8
97.06519	17.1
97.10178	3.0
99.08057	2.0
105.07029	13.0
107.04962	1.4
107.07864	2.3
107.08583	36.0
109.06514	2.6
109.10143	4.4
111.08084	7.9
111.15679	1.0
115.05416	1.6
117.07008	12.6
119.08584	3.4
121.06522	1.4
121.10148	18.6
123.08098	1.3
123.11679	3.1
127.07544	1.2
129.06961	1.1
131.08554	13.7
133.10126	16.1
135.07974	1.3
135.11682	10.7
139.11115	1.6
143.08611	1.3
145.10172	1.9
146.10622	1.1
147.11690	1.8
149.09647	1.5
149.13242	32.2
149.14375	2.2
151.11215	2.2
157.10060	1.3
159.11696	20.9
161.13251	1.1
177.12729	7.8
195.13785	13.2
197.05881	1.3
199.14876	2.5
213.16452	1.8
216.07236	1.4
254.10579	1.7
268.65930	1.2
269.08102	10.3
269.17459	32.7
269.22437	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70530	1.5
53.03947	3.1
55.01869	1.9
55.05506	22.8
57.03434	30.6
57.07071	5.4
62.16346	1.8
63.47659	1.6
65.03948	2.8
67.05499	72.5
67.61649	1.7
69.07066	34.7
70.70551	3.5
71.04992	6.9
79.05486	50.9
81.03438	1.8
81.07051	100.0
83.04976	12.1
83.08616	19.7
85.06535	7.6
91.05466	21.1
93.07037	76.3
95.04971	10.2
95.08599	30.9
95.40382	1.5
97.06515	20.4
97.10181	2.8
99.08083	3.9
105.07005	12.7
107.04940	2.2
107.08578	43.3
108.92363	1.6
109.06517	3.5
109.10160	6.4
111.08062	10.5
117.06994	12.0
119.08582	3.5
121.06490	1.7
121.10143	20.3
123.08038	2.9
123.11709	2.7
131.08540	10.1
133.10092	13.4
135.04396	12.5
135.08089	2.3
135.11737	8.8
139.11177	1.7
143.08548	1.8
145.10074	1.9
147.11734	2.1
149.09625	1.8
149.12054	2.0
149.13246	38.3
151.11148	1.9
157.10097	3.0
159.11681	19.4
161.13396	2.0
173.13181	1.6
177.12720	10.6
183.81494	1.8
185.13200	3.3
195.13774	7.7
199.14743	2.9
214.94881	1.4
254.05659	1.8
269.08063	6.5
269.17398	30.3
269.19675	1.9
269.22446	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
55.01860	3.1
55.05502	18.9
56.94543	1.5
57.03434	27.4
57.07057	3.2
58.32138	1.4
58.61731	1.4
65.03929	2.8
67.05498	66.2
69.07059	23.0
69.84707	6.8
71.04990	8.0
79.05486	40.2
81.03371	1.6
81.07049	84.6
83.04977	8.4
83.08611	16.6
85.06519	4.8
86.25976	1.4
91.05473	26.6
93.07035	56.7
95.04954	7.6
95.08600	21.9
97.06539	14.1
105.07032	10.4
107.04911	2.2
107.08578	32.1
109.06503	3.2
109.10131	5.1
111.08059	3.7
117.06976	10.1
118.04156	7.1
119.08530	2.4
121.06524	1.4
121.10117	16.6
123.11669	2.5
129.06929	2.2
131.08565	10.4
133.10146	9.1
135.11693	9.1
137.02324	2.4
149.13248	31.3
151.11235	1.7
154.02629	2.6
159.11693	17.2
161.44118	2.1
177.12703	5.9
177.68341	1.5
181.06458	3.2
195.13831	9.0
197.06093	7.0
198.06761	4.2
213.09077	8.4
214.69794	1.2
215.35255	1.3
218.33441	1.4
225.05460	2.5
226.06160	7.9
237.05426	10.5
253.04808	10.0
254.05676	10.3
260.45401	1.4
269.08054	100.0
269.17416	28.9
269.22598	4.3
270.08420	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
55.01860	3.1
55.05502	18.9
56.94543	1.5
57.03434	27.4
57.07057	3.2
58.32138	1.4
58.61731	1.4
65.03929	2.8
67.05498	66.2
69.07059	23.0
69.84707	6.8
71.04990	8.0
79.05486	40.2
81.03371	1.6
81.07049	84.6
83.04977	8.4
83.08611	16.6
85.06519	4.8
86.25976	1.4
91.05473	26.6
93.07035	56.7
95.04954	7.6
95.08600	21.9
97.06539	14.1
105.07032	10.4
107.04911	2.2
107.08578	32.1
109.06503	3.2
109.10131	5.1
111.08059	3.7
117.06976	10.1
118.04156	7.1
119.08530	2.4
121.06524	1.4
121.10117	16.6
123.11669	2.5
129.06929	2.2
131.08565	10.4
133.10146	9.1
135.11693	9.1
137.02324	2.4
149.13248	31.3
151.11235	1.7
154.02629	2.6
159.11693	17.2
161.44118	2.1
177.12703	5.9
177.68341	1.5
181.06458	3.2
195.13831	9.0
197.06093	7.0
198.06761	4.2
213.09077	8.4
214.69794	1.2
215.35255	1.3
218.33441	1.4
225.05460	2.5
226.06160	7.9
237.05426	10.5
253.04808	10.0
254.05676	10.3
260.45401	1.4
269.08054	100.0
269.17416	28.9
269.22598	4.3
270.08420	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01868	4.0
55.05268	1.6
55.05508	21.3
57.03436	33.7
57.07057	4.1
65.03919	3.2
67.05502	80.9
69.07063	29.2
69.35992	4.1
69.36406	8.9
71.04998	6.9
71.08601	1.5
74.58941	1.4
79.05490	48.4
79.80296	1.3
81.03416	2.3
81.07052	100.0
83.04989	12.0
83.08611	17.8
85.06550	6.3
88.07614	1.3
89.49524	1.3
91.04969	2.0
91.05484	26.8
93.07041	69.4
95.04958	9.8
95.08601	25.0
97.06519	15.2
97.10162	2.9
99.08061	3.8
105.04513	1.8
105.07027	14.5
107.04938	4.4
107.08588	40.4
107.21104	1.2
109.06546	3.3
109.10130	5.7
111.08073	10.3
117.07021	10.3
118.04137	4.6
119.08562	3.0
121.06500	10.0
121.10137	18.4
123.11711	3.0
129.06999	1.3
131.08536	11.1
133.10120	14.1
135.11682	11.1
137.02301	1.5
139.11186	1.7
147.11630	2.7
149.13260	33.2
153.47455	1.2
157.10085	1.5
159.11702	14.9
165.06981	1.6
170.07256	3.1
177.12749	6.4
181.06535	1.8
185.13258	2.4
195.13770	11.1
197.06012	3.6
198.06699	2.8
213.09039	7.4
213.16328	1.5
225.05412	2.5
226.06262	6.8
237.05507	6.1
253.04955	4.8
254.05753	7.2
269.08069	68.4
269.17441	30.1
269.22592	3.8
270.08401	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	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.74113	1.2
53.03940	1.6
55.01873	2.3
55.05509	26.1
57.03434	32.7
57.07064	3.7
58.91596	1.3
65.03904	1.6
67.05502	75.0
69.03426	2.0
69.07062	30.3
70.97649	3.7
71.04979	5.0
79.05491	44.9
81.07052	100.0
83.04971	12.8
83.08618	18.3
85.06530	5.4
91.05471	27.4
93.07038	70.5
93.07632	3.4
95.04973	8.1
95.08600	22.5
97.06521	14.8
97.10162	1.7
98.96555	1.5
99.08078	3.0
105.07025	12.0
106.81413	1.3
107.08594	34.5
109.06509	2.5
109.10130	4.6
111.08086	7.9
117.07012	10.2
119.08595	6.1
121.10147	18.5
123.11697	3.2
131.08572	10.2
133.10118	13.4
135.08081	2.5
135.11713	9.7
139.11226	2.2
143.08539	2.1
145.10184	1.5
147.11713	2.7
149.13264	35.3
151.11218	3.1
157.10118	2.1
159.11687	19.6
167.14423	1.4
171.11728	1.5
176.13371	1.5
177.12730	9.1
195.13821	9.0
199.14813	1.6
269.17426	26.0
269.19684	1.6
269.22357	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	4.7
55.01857	5.5
55.05266	1.8
55.05509	25.4
57.03434	37.3
57.07058	4.0
59.04992	1.1
65.03943	3.0
65.78944	1.2
67.05499	82.9
69.03413	2.3
69.07063	29.4
70.92078	2.1
71.01352	1.3
71.04996	8.0
71.08648	1.4
79.05487	47.8
81.03413	2.9
81.07050	100.0
82.07380	2.1
83.01331	1.3
83.04971	18.0
83.08605	18.1
85.06528	4.3
89.23661	1.0
91.05473	28.0
93.07037	70.6
95.04957	12.6
95.08598	24.7
97.06521	15.0
97.10146	2.2
99.08086	3.6
105.07021	11.9
107.04940	2.2
107.08585	36.2
109.06490	4.7
109.10127	5.6
111.04412	4.3
111.08067	8.4
113.06010	1.4
115.05375	1.8
117.07013	11.9
118.04156	2.6
119.08558	4.7
121.06525	1.3
121.10136	20.5
123.08043	1.7
123.11679	4.2
129.06985	1.6
131.08565	14.0
133.10132	13.5
135.04431	1.5
135.08012	1.7
135.11674	12.7
137.02267	1.2
139.11159	1.6
143.08495	1.4
147.11694	2.6
149.09563	1.4
149.13249	40.6
151.11145	2.0
157.10132	2.0
159.11678	18.3
177.12740	8.4
195.13750	9.6
197.05994	3.8
198.06696	1.5
213.09068	4.9
223.94720	1.1
226.06288	4.4
237.05455	4.9
251.17911	1.4
253.04947	4.4
254.05713	3.3
269.08087	44.5
269.17441	36.2
269.22656	4.9
270.08673	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01873	3.9
55.05507	22.2
56.96543	1.1
57.03432	34.6
57.07081	5.1
63.77831	0.9
65.03927	2.9
67.05501	77.5
69.07064	31.5
70.17563	1.2
71.04990	7.8
71.08647	1.3
71.48629	2.1
77.03885	1.5
79.05490	49.8
81.03394	2.5
81.07052	100.0
83.04977	10.6
83.08612	19.4
85.06506	5.3
91.05475	30.0
93.07038	65.6
94.07341	1.4
95.04963	10.4
95.08601	24.8
97.06518	16.0
97.10155	2.1
97.40247	1.0
99.08096	2.9
105.04536	1.2
105.07030	13.0
107.08582	36.2
109.06509	2.9
109.10165	4.2
111.08075	8.1
113.05906	1.0
117.07002	12.2
118.04132	1.4
119.06335	1.1
119.08604	3.9
121.06495	2.3
121.10132	21.5
123.08096	1.1
123.11691	5.5
125.05940	1.1
129.06950	1.4
129.33994	1.1
131.08572	13.6
133.10133	12.8
135.08041	2.2
135.11684	11.2
136.12007	1.1
139.11147	1.7
147.11659	2.2
149.13249	38.5
151.11186	2.4
154.02599	1.0
157.10182	1.2
159.11688	20.0
167.14449	1.4
169.10274	1.2
171.11617	1.5
177.12770	7.9
195.13757	9.7
197.05885	1.8
213.09102	2.4
237.05492	2.4
253.04948	3.0
254.05751	2.0
269.08072	24.7
269.17432	31.3
269.22662	3.3
270.08322	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1018
Annotation	Botryolide C
Peak:m/z	Relative Intensity
55.01868	7.6
55.05507	2.5
57.03432	10.0
61.82342	1.6
65.03963	2.2
67.01859	2.8
67.05498	7.0
69.03433	3.7
69.07076	2.4
70.06601	3.3
70.13148	6.8
72.65404	1.6
73.02911	1.6
79.05494	19.4
81.03407	3.5
81.07065	11.7
83.04964	2.8
84.08120	2.0
85.02906	3.0
91.05471	22.7
93.03414	2.4
93.07025	8.7
95.01323	4.1
95.04974	6.1
95.08604	2.1
97.06535	4.2
99.04461	2.3
103.05463	5.8
105.03390	3.4
105.07024	13.4
107.04938	13.8
107.08602	4.4
109.02879	2.6
109.06493	11.8
110.07143	2.8
115.05434	12.8
117.07019	22.6
119.04959	6.5
119.08588	4.8
121.02862	2.9
121.06520	7.2
123.00790	4.2
123.04412	3.3
123.08002	1.9
129.06995	3.6
131.04938	5.6
131.08504	3.1
133.06508	6.4
133.10153	2.7
135.04417	11.2
135.08061	7.4
137.05971	13.3
145.06488	20.7
146.07161	2.2
147.04381	4.5
147.08070	5.4
149.05948	7.5
151.07596	2.1
152.05663	11.5
153.04156	2.6
153.06160	10.9
159.04364	1.9
161.05989	4.6
161.09564	2.0
163.04056	4.1
163.07541	32.4
165.05449	14.3
173.05995	16.9
175.07545	5.3
177.05444	22.5
179.07025	2.9
183.06493	5.7
191.07027	73.9
191.08780	3.7
195.06589	2.4
201.05440	10.6
205.08589	2.7
207.06442	2.7
209.08064	19.0
210.18517	2.3
219.06508	58.9
219.08575	3.1
223.09564	3.1
237.07596	21.3
238.08124	2.1
251.09142	100.0
252.09464	4.0
255.08562	4.2
269.07846	3.2
269.10278	5.1
269.14621	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	269.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63142	1.4
55.05496	2.2
67.05497	3.2
69.24395	20.0
70.06585	2.1
79.05473	4.6
81.07051	9.9
89.03901	12.5
91.05469	7.0
93.07059	4.5
95.04968	2.1
95.43148	1.8
107.08611	2.2
109.06503	3.3
110.07140	4.8
116.07071	2.0
117.03379	32.3
117.04176	1.3
134.03609	3.2
134.09636	2.4
135.04349	2.4
135.08060	2.8
136.06175	4.7
137.05867	3.1
145.02837	65.2
145.03992	3.2
149.05957	13.2
154.08604	2.0
163.03908	2.7
163.07516	2.1
167.06903	2.0
177.05461	100.0
180.10185	2.1
186.05441	2.0
191.06975	6.8
191.10640	1.8
206.08046	2.4
219.06471	4.9
224.09145	1.8
239.16669	1.7
251.09129	7.6
252.08577	3.5
269.08023	2.7
269.16965	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
53.33312	1.8
55.01870	14.7
55.05499	9.7
57.03433	17.0
60.15222	1.8
65.03938	3.8
65.76720	2.1
67.05498	17.3
67.43286	1.8
69.03403	2.2
69.07067	5.5
70.69934	4.2
70.70303	4.9
71.04993	2.2
79.05487	30.7
81.03413	6.2
81.07047	26.2
83.01327	4.7
83.04984	9.1
83.08618	2.6
85.06504	2.0
89.03858	2.7
91.05475	39.5
93.03392	3.9
93.07034	15.0
95.01300	3.1
95.04974	10.2
95.08598	7.4
97.06522	5.1
99.04425	4.3
103.05462	9.0
105.07025	17.3
107.04929	12.1
107.08546	10.2
109.02848	2.6
109.06499	21.9
109.10159	2.5
113.02373	2.0
115.05457	13.0
117.07005	20.4
119.04943	10.1
119.08555	8.9
121.02856	2.0
121.06483	10.5
123.04433	2.3
123.08050	3.7
125.05943	3.2
128.06165	2.9
131.04941	6.0
131.08607	2.9
133.06494	6.9
133.10107	2.9
135.04407	15.5
135.08067	8.8
137.05978	24.9
141.01845	2.4
145.06482	25.8
147.04375	4.9
147.08043	6.2
149.04944	2.3
149.05957	13.5
149.13229	4.2
151.04086	2.6
151.07553	3.6
153.05508	2.4
157.06439	2.6
161.05934	2.6
163.03888	6.8
163.07539	36.3
165.05464	10.3
173.05980	18.5
175.07518	5.1
177.05457	19.1
181.04973	2.8
181.08578	3.7
183.06374	2.7
189.05412	3.9
191.07021	79.7
201.05446	15.0
205.08546	5.1
209.08060	22.6
219.06517	55.7
223.09653	4.7
237.07564	30.8
241.04933	4.5
251.09126	100.0
255.08644	38.4
269.04498	10.3
269.07758	3.0
269.10330	3.5
269.22702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01865	9.5
55.05508	3.4
57.03430	10.6
57.07058	2.0
63.72670	1.3
65.03929	4.3
67.01852	4.1
67.05499	10.6
68.99779	2.2
69.03410	5.3
69.07056	4.4
70.06567	2.2
70.91943	3.9
71.01346	1.9
71.04969	1.6
72.08138	2.4
73.02879	2.0
79.05492	22.3
79.73050	1.4
81.03422	2.9
81.07043	14.2
82.32909	1.5
83.01328	5.4
83.04956	5.2
83.06069	1.7
84.08135	3.0
85.02892	6.0
86.09693	3.2
87.04447	2.4
91.05476	24.9
93.07059	11.4
94.06563	2.0
95.01315	5.2
95.04965	15.1
95.08597	4.4
97.02869	2.8
97.06516	4.5
103.05488	7.0
105.03401	1.8
105.07024	15.2
107.04949	15.6
107.08572	4.7
109.02907	3.6
109.06514	17.9
109.10169	2.0
110.07177	10.8
111.04420	2.8
113.02361	3.2
115.05427	8.4
117.03313	2.6
117.07010	14.9
118.06524	2.0
119.04936	5.7
119.07275	1.9
119.08544	3.1
120.08101	5.4
121.02867	5.4
121.06508	8.3
123.00809	7.7
123.04421	4.7
123.08023	2.3
125.02332	1.5
125.05956	5.0
131.04904	3.9
133.06490	9.5
135.04391	4.6
135.08051	5.2
137.05948	17.5
137.09666	1.9
139.03912	2.1
139.07545	2.7
141.01849	3.6
143.23860	1.4
145.02876	2.8
145.06520	8.7
147.04422	3.8
147.08022	2.6
148.05006	1.4
148.07657	2.3
149.02353	1.9
149.05989	9.1
151.07539	2.9
152.05656	25.7
153.04060	3.5
153.06136	18.9
154.04459	2.4
154.60751	1.4
156.07704	2.0
161.05962	5.6
163.03899	4.9
163.07530	35.5
165.05467	12.2
165.09149	2.7
167.03415	4.3
173.05969	7.4
177.05469	21.3
179.07048	2.0
181.08557	7.0
183.06531	6.9
189.05476	20.3
191.07016	78.2
192.07204	1.4
193.08566	2.1
194.08116	9.4
195.02869	9.1
195.06433	2.5
195.10085	1.6
201.05518	7.5
209.08061	23.0
209.09888	1.9
219.06505	60.5
220.06828	2.1
225.10143	1.7
226.10942	2.9
233.07808	1.5
237.07542	20.6
241.09758	2.1
241.13327	3.3
251.09132	100.0
252.09494	3.1
264.82001	1.8
269.07874	3.0
269.10159	11.5
269.12851	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	269.0804
Annotation	Formononetin
Peak:m/z	Relative Intensity
63.67267	0.3
64.85859	0.3
65.46985	0.3
65.85668	0.3
70.00939	1.1
70.01351	0.8
79.05498	0.4
81.07032	0.4
103.05462	0.5
107.04954	3.4
108.02071	1.0
118.04147	7.9
133.06485	1.2
136.01537	0.5
137.02322	2.5
152.06163	0.8
153.07011	0.9
154.02625	2.2
156.05663	1.3
157.06503	0.9
158.07259	0.6
163.03909	0.9
169.06508	0.9
170.07281	1.4
181.06445	2.3
182.07243	1.1
184.05214	0.3
185.09663	0.5
185.26132	0.3
195.08017	0.8
197.05954	8.1
198.06758	2.7
200.04631	0.5
209.05997	0.4
213.09084	11.9
225.05460	3.7
226.06219	9.4
231.51971	0.3
237.05438	9.9
253.02463	0.6
253.04941	10.0
254.05701	9.9
269.08063	100.0
270.08453	3.3
273.70374	0.3
283.86008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0805
Annotation	Formononetin
Peak:m/z	Relative Intensity
53.03934	0.3
55.01857	0.5
55.05307	0.1
55.05511	1.4
56.96542	0.2
57.03432	1.5
57.07079	0.2
59.07178	0.1
61.82577	0.2
65.03933	0.2
67.05499	3.8
68.99768	0.6
69.03425	0.2
69.07062	1.2
71.04993	0.3
71.08594	0.2
71.24209	0.3
79.05055	0.2
79.05489	2.4
81.03400	0.3
81.07049	5.1
83.04954	0.5
83.08626	0.9
85.06524	0.3
86.70116	0.1
90.04686	0.4
91.05481	1.8
93.07037	2.9
95.04974	1.1
95.08595	1.4
97.06526	0.8
97.10162	0.2
99.08075	0.2
102.04642	0.1
103.05458	0.3
105.03387	0.2
105.07018	1.3
107.04948	3.5
107.08578	1.9
108.02072	0.8
109.06508	0.3
109.10153	0.6
109.38894	0.1
111.04429	0.2
111.08047	0.5
115.05412	0.2
117.07040	0.7
118.04155	7.3
119.08552	0.3
120.08038	0.2
121.06527	0.3
121.10132	0.7
123.04400	0.4
123.08032	0.2
123.11671	0.3
128.06201	0.2
129.06989	0.4
131.08568	0.9
133.02838	0.6
133.06483	1.3
133.10098	1.0
135.08163	0.2
135.11671	0.7
137.02330	3.1
139.03909	0.3
141.06972	0.3
142.07710	0.4
143.08531	0.3
145.06447	0.3
147.11671	0.3
149.13232	1.3
152.06200	0.9
153.06989	0.8
154.02608	3.1
155.08577	0.2
156.05692	1.4
157.06467	0.6
157.10153	0.5
158.07225	0.6
159.11702	1.4
161.13133	0.2
163.03905	0.5
165.06976	0.5
167.08511	0.2
169.06454	1.2
170.07283	1.8
171.08014	0.5
171.11691	0.4
177.12741	0.4
180.05620	0.4
181.06468	3.3
181.07928	0.3
181.10017	0.1
182.07242	1.7
183.08011	0.3
184.05199	0.7
185.05809	0.2
185.09665	0.3
185.13203	0.2
195.07994	0.6
195.13789	0.4
197.04147	0.3
197.05971	6.7
198.06754	3.2
199.07507	0.3
199.14850	0.2
200.04709	0.5
206.90691	0.1
208.05194	0.3
209.05890	0.9
210.06732	0.4
211.03909	0.3
212.08215	0.2
213.09094	10.8
213.16333	0.3
214.09503	0.3
225.05443	3.3
226.06229	9.0
227.06760	0.3
236.04712	0.2
237.05453	11.5
238.06062	0.6
239.06982	0.3
241.08578	1.0
252.07831	0.3
253.04948	11.4
254.05707	10.7
255.06006	0.3
258.05231	0.2
262.28983	0.1
269.08060	100.0
269.17307	1.5
269.22391	0.8
270.08417	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01865	0.3
55.22613	0.2
57.03439	0.4
62.12648	0.2
62.26930	0.2
62.89897	0.2
63.62502	0.2
67.99445	0.2
69.03453	0.2
71.00937	0.4
71.01311	0.4
85.02878	0.2
94.04045	0.3
119.03548	1.1
120.08006	0.2
134.15720	0.2
136.06177	100.0
137.04565	0.6
268.10410	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	268.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05491	1.6
56.05014	0.6
57.03415	0.5
58.53402	0.3
61.40953	0.3
61.89441	0.3
66.89476	0.3
69.07052	1.2
70.06590	0.4
71.56723	0.4
72.04500	2.0
73.02895	1.6
74.06074	0.6
79.05485	2.5
80.05006	0.9
81.03397	0.8
81.07054	2.4
82.03738	0.4
82.06559	0.8
82.20414	0.4
83.04943	0.5
83.08598	0.6
85.02880	0.5
91.05437	1.7
92.05840	0.4
93.07036	5.3
94.06562	2.0
95.08595	1.9
96.08121	0.8
100.03966	0.5
102.05527	1.1
105.07010	1.1
107.08595	1.7
108.08108	10.6
109.08913	0.5
110.09663	1.2
113.57018	0.3
119.08581	0.9
121.08852	0.4
121.10125	0.6
122.09660	9.5
123.10457	1.7
124.03928	0.7
124.11226	1.6
133.10104	0.7
134.09592	0.4
135.11664	2.3
136.11223	4.0
137.13239	0.4
140.07045	0.5
143.38707	0.3
150.12775	19.4
151.13564	8.5
152.07040	2.4
152.14311	0.5
156.10161	0.6
161.13292	0.5
164.14403	0.4
166.08620	0.4
166.12141	0.5
167.09457	0.5
168.10242	0.5
170.08127	1.0
170.11752	1.1
178.15881	3.3
180.10201	1.9
182.11777	0.9
191.06906	0.4
194.08090	0.7
194.11732	3.9
195.12532	0.9
196.13254	0.8
196.17036	0.5
197.42723	0.3
209.13667	0.4
219.06714	0.5
220.57715	0.4
222.14851	2.1
224.16437	100.0
225.16850	2.5
226.17976	3.8
244.89014	0.4
251.08942	0.8
268.19055	41.1
269.08252	0.5
269.19437	1.2
269.22565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	2.0
55.05508	5.8
56.05039	4.4
57.03433	3.9
57.07077	1.3
58.00333	0.6
58.06577	1.1
67.05164	0.8
67.05498	7.6
67.50303	0.5
68.05014	1.4
69.03425	1.1
69.07068	3.9
70.02947	2.3
70.06581	2.5
71.04972	1.4
71.56902	0.8
72.04514	10.6
72.08138	0.6
72.63893	0.7
79.05487	11.0
80.05012	6.7
81.03421	13.1
81.07056	9.9
82.02936	1.4
82.06573	2.9
83.04980	1.5
83.08617	3.1
84.04496	1.3
84.08141	2.3
87.05568	2.1
91.05473	8.5
93.05801	3.8
93.07041	18.1
94.06567	3.4
95.04975	4.3
95.07360	0.8
95.08601	6.4
96.04484	1.7
96.08138	1.6
97.10133	0.9
98.06059	1.7
99.05574	1.8
100.07635	1.1
101.07139	1.1
102.05497	0.6
105.07024	6.1
106.06554	2.2
107.04948	2.2
107.07367	1.4
107.08594	10.2
108.08112	100.0
109.06519	2.1
109.08427	0.9
109.10152	2.5
110.06042	1.4
110.09676	2.9
111.08087	0.8
112.95070	0.6
115.08678	0.8
117.07089	0.9
118.06499	0.8
119.08611	4.5
120.08105	5.5
121.06512	1.3
121.08878	21.5
121.10105	3.5
122.09674	17.7
123.08083	0.8
123.10438	2.6
123.11692	2.5
124.07568	1.2
125.09563	0.7
127.08665	4.5
129.06999	1.5
129.10231	4.6
131.08562	2.0
133.06499	0.9
133.10162	3.3
134.09647	6.1
135.04417	0.6
135.10448	3.3
135.11690	14.3
136.06258	0.8
136.07504	0.7
136.11195	10.4
136.12141	1.0
137.06079	0.6
137.13297	1.8
138.05502	0.6
141.10211	1.8
143.08487	1.1
145.10139	0.8
146.09691	0.7
147.08055	1.3
147.11665	2.2
148.07568	1.9
148.11188	1.5
149.09616	1.8
149.12019	1.5
150.05516	1.0
150.12772	35.0
151.08646	7.0
151.13582	7.0
152.05687	11.2
152.10693	2.0
152.14323	5.8
153.04057	1.3
153.07787	1.2
153.10188	1.0
157.10162	1.6
160.11166	0.6
161.09564	1.2
161.13283	1.0
162.12762	5.0
163.09889	1.3
163.14864	1.1
164.07086	0.8
164.14346	56.7
165.07860	30.1
165.14651	1.4
166.08711	3.3
166.15918	8.0
169.06906	1.3
175.11208	2.0
176.14323	1.4
178.08575	0.7
178.15910	4.9
179.11824	4.0
180.10306	0.7
190.12318	3.3
190.15916	2.2
193.12109	1.7
204.13855	1.0
204.17476	1.8
206.15402	7.4
208.13316	33.7
208.16890	10.1
221.16487	8.9
222.14955	1.2
223.18051	50.3
224.18349	0.9
224.20247	0.9
225.19556	0.8
232.16942	1.6
249.07404	0.8
249.16107	3.8
249.19637	2.0
250.14392	14.2
250.18039	15.2
267.17056	53.0
267.20688	67.2
268.13992	2.3
268.17258	1.8
268.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
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
51.02390	0.8
53.03948	4.0
55.01877	3.2
55.05513	9.1
56.96577	1.4
57.03436	20.4
59.78386	0.6
65.03925	0.9
67.05500	15.0
67.05832	1.1
69.03426	2.9
69.07063	4.6
71.02160	0.6
71.04976	2.1
71.57310	1.2
72.04527	0.6
72.08162	1.1
79.05011	0.7
79.05087	0.4
79.05489	18.6
81.03415	100.0
81.07050	16.6
82.03751	1.3
83.04973	7.2
83.08613	13.6
84.08144	1.2
85.02947	0.8
85.06542	1.4
90.68905	0.5
91.05479	23.2
93.07034	10.5
95.04961	22.5
95.08607	6.6
97.02879	2.5
97.06521	2.2
97.10175	1.7
99.04445	1.0
99.08080	0.9
101.02356	1.0
103.05482	1.5
105.07025	18.5
107.04945	6.1
107.08578	5.6
108.08122	9.2
109.06511	3.8
109.10157	2.2
111.04429	1.8
111.08075	5.9
115.05449	2.3
117.06995	2.0
118.04161	1.2
119.04977	1.1
119.08576	14.0
120.08057	1.3
121.06498	2.6
121.08839	0.8
121.10133	7.1
122.09668	0.9
123.08041	2.3
123.11682	1.8
125.09612	0.8
129.07005	7.9
131.08557	7.7
132.05722	0.8
133.06505	5.8
133.10117	5.9
134.09641	0.7
135.04424	1.0
135.08078	0.9
135.11671	2.2
136.11263	0.7
137.09601	1.9
141.71797	0.6
142.07753	2.9
143.08539	0.9
145.10088	1.7
146.03621	5.3
147.08037	4.2
147.11670	8.5
149.09621	5.7
150.12744	3.0
151.07559	0.8
157.10121	9.0
161.06004	5.1
161.09558	1.3
163.03888	1.2
163.07487	0.7
163.11165	1.5
164.14328	2.2
165.05479	1.1
165.07832	2.1
165.12714	2.6
167.07065	0.6
169.10150	0.8
171.11671	0.9
175.11186	8.3
175.31058	0.6
178.06236	15.5
191.07013	1.4
193.08578	6.2
193.12222	16.1
197.09953	0.8
203.10648	1.1
203.14355	0.7
205.12186	1.0
207.10065	0.9
208.13371	3.1
211.13222	2.4
223.13260	1.1
223.17989	0.8
249.14731	0.9
250.14442	1.0
267.15833	28.8
267.20706	1.5
268.15988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03935	2.2
55.01876	2.6
55.05509	14.1
55.29577	1.3
57.03430	9.0
58.68937	1.2
64.61877	1.2
65.03925	1.4
67.05506	41.6
69.03405	1.5
69.06789	1.6
69.07068	14.1
69.99661	6.9
71.04977	3.9
79.05490	24.3
81.03420	17.7
81.07054	100.0
83.04976	9.0
83.08612	8.4
85.06532	6.6
87.04454	1.4
91.05480	27.0
93.07041	12.1
95.04938	7.0
95.08601	25.4
97.06521	6.0
97.10133	1.5
99.08116	3.3
105.07027	37.1
107.08581	10.5
109.06495	3.7
111.08041	3.1
119.08582	26.3
121.10138	19.3
123.08060	3.9
123.11708	20.6
127.07499	1.6
129.06993	2.5
131.08614	2.0
133.10123	4.6
137.13272	2.6
142.15111	1.2
147.11682	58.5
157.10110	1.9
165.12756	19.6
175.11189	3.5
183.13780	2.2
193.12262	3.1
211.13527	1.4
267.15903	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	2.3
55.05505	14.0
57.03433	7.4
57.07074	0.9
65.03924	2.1
67.05499	40.1
69.03413	1.3
69.07059	17.1
71.04971	3.8
79.05488	27.7
81.03394	3.9
81.07049	100.0
83.04977	9.4
83.08605	7.7
83.48124	0.8
85.06542	5.6
91.05473	33.2
93.07036	13.5
95.04954	5.9
95.08598	28.9
97.06525	7.0
99.08071	4.0
101.06048	1.1
104.98627	0.9
105.07022	38.5
107.04942	1.8
107.08571	10.9
109.06521	4.4
109.10139	2.2
119.08571	27.6
121.10126	16.8
123.08061	4.1
123.11701	26.4
127.07542	1.9
129.06985	2.1
131.08609	1.5
133.10080	4.7
137.13243	2.3
141.09128	1.2
147.11676	54.3
148.12085	0.9
149.09604	1.1
157.10210	2.1
165.12735	21.0
175.11148	2.3
183.13837	1.4
193.12238	1.5
211.13348	1.0
259.84161	0.9
267.15894	68.6
281.54822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01873	0.3
55.05477	0.3
56.05020	0.4
56.96562	2.5
60.04527	0.4
60.95849	0.4
61.02911	0.4
65.03938	0.5
67.05177	0.3
67.05502	3.5
69.03410	0.5
69.07089	0.4
70.06579	1.3
70.87511	0.7
70.87902	0.5
72.04482	0.3
72.08141	0.6
73.02927	0.5
73.06502	0.4
73.78177	0.3
74.06091	0.3
74.97606	0.4
79.05473	0.8
81.03407	0.6
81.04533	0.4
81.07035	0.7
83.06145	0.3
84.04498	0.7
84.08114	1.1
85.02877	0.5
86.09711	0.4
94.06561	10.4
95.04937	0.3
95.08566	0.4
96.04453	0.4
97.02859	0.4
98.97578	1.8
100.03956	1.2
106.06548	3.5
107.04960	0.4
108.08083	0.5
109.06439	0.3
110.07135	1.0
111.05653	0.3
116.23059	0.3
116.98586	1.6
118.04998	0.9
121.06513	0.6
122.06026	8.0
122.07107	1.2
123.04343	0.3
123.07413	0.3
129.10210	0.5
134.99626	2.0
136.06172	1.1
136.07544	0.3
137.05925	0.6
146.99664	0.8
150.05492	100.0
150.99153	0.7
151.05824	1.1
157.04375	0.4
158.99709	0.9
161.01169	0.6
164.07071	0.6
165.00574	0.4
168.06552	4.9
169.00211	0.4
176.07069	0.4
177.00725	0.7
193.00203	0.8
197.09720	0.4
239.00916	0.3
243.01511	0.4
249.08691	0.4
267.00201	0.7
267.09735	2.7
267.13034	0.6
285.01086	0.6
285.09311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
55.05519	1.4
56.05038	21.6
56.96561	3.1
57.03437	2.3
57.65296	1.1
58.06592	4.8
65.15814	1.1
67.05505	2.3
69.07058	1.8
70.86240	3.7
72.04515	1.4
74.06081	100.0
74.18896	0.9
75.04478	1.7
79.05505	1.6
81.07066	1.4
84.04507	22.3
85.02898	1.5
91.05486	4.4
93.06558	0.9
93.07050	6.8
95.04955	3.0
95.08629	1.6
97.06532	1.0
98.97579	2.7
101.07158	1.7
101.51923	1.0
103.05450	5.0
105.07021	1.5
107.04976	1.5
108.08119	1.6
116.98630	1.7
119.84332	1.1
120.08109	60.0
121.06504	74.7
130.05011	9.9
132.08246	1.1
134.99644	2.1
136.06180	1.9
138.09142	8.1
150.99084	1.8
151.07616	1.0
152.10677	2.3
153.06113	1.3
158.09695	1.5
160.11256	1.5
161.10695	1.6
166.08638	33.7
176.07114	2.4
177.07872	1.2
203.11803	6.7
206.11768	5.9
221.12856	13.0
223.41890	1.2
249.12297	7.6
249.14563	1.0
250.10664	7.6
267.00302	2.1
267.13385	19.8
285.01193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89324	0.4
55.05500	0.4
59.04987	0.5
61.02914	1.4
71.04987	1.6
71.16197	0.8
74.12294	0.3
79.05474	0.9
81.07043	2.9
94.04060	1.5
113.09585	0.5
119.03519	2.3
136.06178	100.0
137.04584	1.7
165.19374	0.4
196.44652	0.4
204.55054	0.4
234.13498	18.8
266.16110	37.1
267.16373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2476
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05487	0.9
57.07056	0.3
67.05484	1.0
68.05022	0.4
69.07045	0.8
70.06601	1.2
70.91209	0.6
70.91542	0.3
71.04963	0.3
71.08626	2.3
79.05462	1.0
80.04987	0.5
81.07054	2.3
82.06561	0.6
83.08588	0.7
84.08124	0.9
86.09687	0.6
91.05458	0.6
93.07037	1.5
95.04943	0.3
95.08587	2.5
96.08108	0.7
98.09641	0.6
107.08580	0.6
107.34176	0.2
108.08107	1.5
108.08761	0.3
109.08871	0.4
109.10120	0.3
110.09653	0.9
112.07576	1.1
112.11240	0.5
119.08540	0.3
122.09628	1.2
123.10502	0.5
123.11680	0.9
124.11217	1.3
126.12802	0.3
135.11636	0.5
136.11198	1.7
137.11963	1.0
137.13223	1.0
138.12752	0.7
150.12770	6.3
150.13986	0.3
151.13611	0.6
152.14342	3.8
163.11203	0.3
164.14349	1.5
165.15114	0.8
166.15907	11.1
168.13844	3.0
168.17471	1.5
178.15894	2.9
179.16640	0.4
180.17508	1.2
185.87985	0.2
192.17456	5.6
193.18224	1.7
193.20807	0.2
194.18947	1.3
210.18497	0.4
220.20668	1.5
222.22145	100.0
223.22514	1.7
224.23633	0.5
266.24765	64.7
267.25211	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45490	0.6
55.05502	0.8
56.96550	2.2
59.04982	1.5
60.04523	12.9
61.01141	0.9
65.03941	1.2
67.05497	0.9
69.93198	3.8
70.02940	2.2
70.06573	1.0
79.05502	1.5
80.05032	0.8
81.03399	1.0
81.07032	1.4
84.08134	0.9
85.02907	1.3
87.02682	2.2
88.03984	67.3
91.05474	87.3
92.05806	0.8
93.07037	1.2
94.94704	0.7
95.08562	0.8
97.02866	1.1
98.97585	1.2
102.05534	100.0
105.07037	1.7
107.08589	0.7
108.08104	1.8
109.02895	1.1
111.68108	0.7
113.02338	1.0
116.98630	0.9
119.04932	0.6
119.08592	1.0
121.06497	0.8
130.04977	1.5
133.03191	5.0
134.09654	1.9
134.99710	0.8
146.05995	2.1
148.06033	53.4
148.11256	1.2
158.40244	0.7
166.08638	1.5
191.00815	0.7
195.94072	0.7
196.09627	3.1
198.11301	0.9
206.08110	2.6
220.09653	4.8
234.07668	0.8
234.84265	0.6
248.09334	1.4
266.09695	0.6
266.12219	1.7
266.17499	4.8
266.21136	2.7
286.71631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03925	1.3
55.05505	9.5
56.96566	3.0
57.07077	3.3
64.79461	1.5
65.03933	3.7
65.47039	1.2
67.05503	100.0
69.07066	9.5
70.12936	4.3
70.13348	2.5
71.05042	1.2
79.05492	16.7
81.03426	1.6
81.07054	100.0
83.08605	4.7
85.06539	4.0
91.05479	5.8
93.07027	13.7
95.04942	4.2
95.08604	84.1
96.08942	1.6
97.06525	2.0
97.10139	1.8
99.08041	1.8
105.07029	3.1
107.04912	2.8
107.08586	8.5
109.06535	3.8
109.10152	60.2
111.11698	1.6
119.08561	5.9
121.10119	7.8
121.43241	1.3
122.07149	1.7
123.08024	1.8
123.11704	29.7
131.08559	3.7
133.10130	4.2
135.07988	1.4
135.11693	4.8
137.09602	2.2
137.13258	6.1
143.18192	1.4
145.10152	3.2
147.07956	1.5
147.11642	3.1
149.09610	2.9
149.13257	2.8
159.11649	3.1
168.10983	1.4
173.13277	2.1
177.12666	1.4
187.14801	1.6
191.14325	2.1
223.17043	2.0
229.19562	1.8
240.99095	1.4
247.20705	2.5
265.18622	3.0
265.21661	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05502	8.9
56.96551	1.9
57.07072	2.5
65.03945	1.4
67.05500	100.0
67.72420	1.3
69.07067	8.6
79.05489	12.4
80.82448	1.3
81.03398	1.3
81.07050	97.2
83.04979	1.9
83.08611	4.8
85.06525	2.2
91.05470	5.1
93.07026	12.1
95.04957	2.5
95.08598	80.4
97.06517	2.2
97.10158	1.4
105.07027	6.7
107.04925	2.4
107.08584	10.6
109.06476	1.7
109.10149	57.6
111.08131	1.3
119.08572	2.9
121.10152	6.9
122.07108	1.6
123.11695	28.0
131.08583	3.6
133.10135	4.4
135.07997	1.9
135.11691	5.4
137.13225	5.2
145.10141	2.4
147.11606	1.7
149.09651	2.2
149.13232	4.4
159.11670	2.8
163.11110	3.3
163.14783	1.8
173.13249	4.2
177.12720	1.5
181.12373	1.8
195.13811	1.7
209.15292	2.0
223.16885	1.5
229.12242	2.1
229.19489	1.8
229.26968	1.7
235.07524	1.5
247.20651	2.2
265.18579	3.2
265.21625	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03941	0.6
55.05508	13.3
56.05027	0.8
57.05816	1.7
70.71816	0.9
70.72183	0.8
72.08151	100.0
73.08480	0.5
74.14587	0.4
81.07074	0.5
86.09718	0.8
91.05481	0.5
103.05446	1.0
106.27509	0.4
109.95247	0.5
114.10321	0.7
119.08564	0.4
120.08101	15.1
122.07172	0.8
136.06168	3.2
147.04385	0.5
149.06009	0.5
166.08621	9.0
188.43369	0.5
198.48605	0.4
265.12711	0.5
265.15527	1.6
266.13760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05513	10.8
56.96550	4.0
57.07066	4.6
65.03922	2.4
67.05503	100.0
68.94756	1.6
69.07076	9.4
71.04996	2.4
71.61435	1.8
79.05489	12.1
80.12315	2.0
81.07059	96.4
83.08618	3.8
85.06551	3.5
91.05472	7.5
93.07042	14.4
95.04983	3.1
95.08608	79.6
97.10164	2.1
98.21517	4.9
105.06999	3.7
107.08601	11.3
109.10155	64.4
113.06020	1.9
117.07003	2.2
119.08598	3.5
121.10146	9.3
123.08083	2.8
123.11709	29.9
131.08562	2.6
133.10106	3.8
135.08005	2.7
135.11682	3.8
137.13278	4.6
140.07791	1.8
145.10144	5.5
147.11699	4.4
149.09604	3.7
149.13254	4.2
163.11259	2.5
163.14697	2.4
173.13274	4.2
187.14748	2.0
209.11624	2.6
209.15300	3.4
250.09924	2.1
250.97243	2.4
259.12497	2.1
265.18414	2.9
265.21664	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01870	5.5
55.05514	8.7
56.96544	2.1
57.03413	2.6
57.07077	9.6
59.04977	2.1
62.40216	1.6
65.03927	3.9
67.05505	14.3
68.99789	4.7
69.03433	8.8
69.03755	2.2
69.07052	5.4
70.71089	4.1
72.04522	3.7
73.06534	5.9
79.05494	17.3
81.03381	2.8
81.07051	13.9
83.04977	12.3
83.08608	5.1
85.02903	3.0
85.06528	2.5
86.93675	1.7
88.03983	4.3
91.04964	2.9
91.05477	29.6
93.03370	4.4
93.07026	19.6
95.04965	9.2
95.08611	11.6
97.06532	14.7
102.05549	3.2
103.05453	4.0
105.07022	18.8
107.04948	4.3
107.08590	37.6
109.02882	2.8
109.06503	28.0
109.10159	4.4
111.04408	5.3
111.08092	16.9
113.02392	3.0
115.05441	6.5
117.07001	20.9
119.04915	2.5
119.08572	27.8
120.08099	29.0
121.02877	4.7
121.06493	29.4
121.10147	11.3
122.07162	3.0
123.04427	4.2
123.08054	7.7
125.05984	4.2
125.09621	6.1
129.06976	4.5
130.07716	2.3
131.04939	2.8
131.08556	10.3
133.06454	4.5
133.10114	8.4
135.08046	53.6
135.11662	11.7
137.05934	3.9
137.09644	5.0
139.03889	7.9
139.07523	5.0
144.09343	2.4
145.06476	15.3
145.07440	2.5
145.10089	11.6
147.04388	2.6
147.08006	6.2
148.06033	2.6
149.05972	8.3
149.09587	7.2
150.09108	3.3
151.07549	20.3
153.09067	10.4
159.08034	3.6
159.11656	10.6
161.09601	6.6
161.13258	2.9
163.07541	47.6
163.11189	7.9
165.09038	3.1
166.08612	10.5
172.08853	3.1
173.09587	2.7
173.13272	9.9
176.10789	2.0
177.05486	2.4
177.09120	2.0
177.12669	10.3
181.08591	27.2
186.10355	2.7
187.11171	16.3
191.07025	8.8
201.12668	9.8
205.12224	18.5
209.08080	33.0
219.13765	4.5
220.13420	2.1
227.09076	2.1
229.12318	9.0
247.11003	2.0
247.13243	10.0
248.09215	2.3
265.08542	3.0
265.11972	5.3
265.14346	100.0
266.14340	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	265.1117
Annotation	Thiamine
Peak:m/z	Relative Intensity
50.92544	0.4
54.03460	0.9
54.54634	0.4
54.63658	0.4
55.05498	1.0
55.94007	0.5
56.05015	1.2
56.96561	6.5
57.03422	0.8
57.07074	0.6
60.04512	0.6
60.32407	0.4
61.01136	0.9
61.02910	1.2
67.05502	0.9
69.03425	1.4
70.06591	3.0
71.56499	0.7
71.56882	0.6
72.08152	0.8
73.02905	1.1
74.06107	0.7
74.97591	0.5
80.05006	0.8
81.03439	0.8
81.04534	15.3
84.04499	0.9
84.08138	2.1
84.96019	0.6
85.02890	2.4
86.09698	0.9
86.10197	0.4
91.47535	0.4
97.02887	1.7
98.97559	2.7
104.05338	1.1
106.13634	0.6
110.07136	0.7
113.02974	1.0
116.98607	3.0
119.01891	1.2
119.08539	0.5
122.07143	100.0
123.07436	0.9
126.03739	2.0
126.64947	0.4
131.00137	0.9
134.98743	0.5
134.99605	2.2
136.06203	1.0
136.07610	0.8
137.06053	0.6
144.04773	30.0
146.99684	1.2
147.03246	0.5
149.01210	0.8
150.05713	0.6
155.04654	1.5
158.99670	0.7
159.42783	0.5
163.02679	1.8
164.05179	0.5
172.95180	0.6
175.02713	0.8
177.04221	0.5
184.05064	0.6
187.02802	0.6
193.03680	0.7
205.03870	0.6
223.01103	0.6
265.11392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.76036	0.9
53.03927	0.9
55.01870	1.0
55.05494	3.4
56.05024	1.0
56.96546	1.9
57.03418	0.8
60.87074	0.7
61.23504	0.8
65.03937	1.8
67.05502	6.4
69.03423	6.5
69.07044	2.5
70.06590	1.5
70.07684	1.7
70.08096	2.7
71.04976	2.1
72.08150	16.7
72.70107	0.6
74.44248	0.8
79.05486	4.9
81.03401	1.3
81.07055	4.3
83.04957	1.5
83.08630	0.7
84.04479	1.7
84.08147	1.1
85.02890	1.8
85.14236	0.9
86.09681	2.1
87.04458	0.9
91.05475	13.3
93.03381	1.2
93.07042	8.9
95.04973	8.5
95.08598	4.7
97.02899	1.0
97.06538	1.6
98.21452	1.2
99.04470	1.2
103.05460	6.6
105.07024	13.2
107.04945	1.0
107.08569	4.7
109.06506	5.3
109.10106	1.7
110.97604	0.7
111.04413	5.4
111.08092	1.6
113.06014	2.6
115.05453	1.4
116.06239	1.5
116.07075	1.0
117.07012	2.7
118.06567	1.1
118.08630	1.1
119.04976	0.9
119.08575	16.5
120.08096	100.0
121.02879	2.0
121.06506	8.2
121.08444	0.8
121.10118	1.8
122.07144	3.4
123.08058	4.9
124.05119	0.7
128.06215	1.7
129.07011	2.9
129.10152	0.9
130.07751	2.0
131.04910	1.2
131.08549	8.0
131.93535	0.8
133.06491	1.9
133.10100	4.0
134.09587	1.6
134.99689	1.0
135.08047	14.5
135.09982	2.1
136.07556	1.7
137.05986	1.7
137.09590	2.5
139.03876	2.4
141.06976	1.4
142.07776	2.4
143.08575	3.2
144.04697	1.0
144.09299	2.1
145.06465	2.1
145.10109	4.9
147.04404	0.8
147.08046	7.6
147.11671	2.7
148.08752	0.8
149.05969	1.5
149.09631	2.3
151.07529	1.0
152.05675	5.9
153.03990	0.8
153.07025	1.2
155.08435	1.0
156.09525	0.8
157.06482	1.6
157.10121	3.9
158.07297	3.1
159.08047	6.5
159.11703	6.3
161.05962	1.2
161.09610	5.9
161.13254	0.9
163.03925	1.1
165.09093	5.5
168.09308	1.5
171.07970	0.8
171.11671	1.5
172.08855	3.6
173.09608	3.7
173.13289	3.8
174.09116	0.9
175.07515	10.4
175.11128	4.3
176.07085	0.8
181.05048	1.6
183.11670	1.8
185.09604	2.3
186.10396	1.0
187.11142	5.9
189.09105	1.1
189.12750	1.9
193.08600	3.0
193.10159	1.2
196.08917	2.4
199.11192	2.2
201.12683	4.7
203.10641	6.3
205.12186	1.3
211.11186	3.0
217.12315	3.5
219.15166	0.9
229.12161	4.5
247.13228	6.5
254.15854	0.8
265.12085	1.3
265.14642	4.6
266.12396	1.6
283.39554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87666	6.8
55.01872	8.8
55.05505	17.1
56.96560	10.8
57.03402	8.9
57.07073	9.9
67.05502	57.4
69.07062	20.8
69.87250	15.4
69.87643	21.5
72.08141	8.1
74.06073	9.2
79.05484	26.9
81.03416	17.2
81.07039	49.8
81.84232	6.7
83.04986	12.3
83.08633	9.0
83.83365	7.8
85.02915	10.3
85.06557	9.8
88.80710	7.7
91.05484	34.0
93.07045	42.8
95.04958	19.8
95.08609	50.1
97.06562	10.8
97.10177	7.8
103.05458	8.1
105.07037	28.5
105.64240	7.2
106.17545	7.0
107.04955	18.5
107.08604	32.3
109.02898	9.6
109.06502	18.0
109.10164	25.9
115.05480	22.5
116.98605	10.9
117.07024	61.8
119.04939	8.9
119.08569	30.0
121.06480	12.7
121.10145	20.6
122.07159	23.2
123.08083	7.2
123.11678	7.8
128.06218	13.2
128.96277	7.5
129.06998	22.5
131.04846	10.7
131.08589	29.3
133.06493	10.3
133.10149	15.5
135.08098	12.1
135.11734	19.7
137.09642	10.6
141.06993	8.2
144.05739	14.2
145.06491	95.3
145.10115	16.5
147.04355	8.9
147.08076	10.1
149.01251	8.7
149.06006	13.4
149.09540	13.5
152.51790	7.3
155.06010	9.6
156.05733	20.6
157.06667	8.1
159.08072	22.3
159.11731	15.6
161.05972	18.4
163.07584	9.5
163.11201	9.6
164.65633	7.1
167.06993	11.8
173.05981	100.0
173.13177	11.1
175.07527	9.5
180.94565	6.9
187.07565	28.4
190.06270	43.2
191.06975	19.5
203.07048	10.4
204.13852	29.4
204.17181	9.7
205.08600	68.4
211.14844	13.7
217.08583	49.6
219.10237	18.7
221.16585	14.4
222.06540	7.0
234.10739	7.9
237.30817	8.0
247.09698	12.7
247.13435	11.4
265.08429	23.4
265.14349	33.2
265.19269	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	1.7
53.86445	1.3
55.01879	1.5
55.05511	17.5
57.03433	3.0
57.07074	12.4
65.03943	2.6
67.05505	93.0
69.06725	1.8
69.07067	19.7
69.82438	9.1
71.04980	1.7
71.08646	9.2
79.05065	2.0
79.05494	24.4
81.07056	100.0
83.04949	2.4
83.08617	13.7
85.06533	4.5
85.10161	3.3
91.05482	18.9
91.30640	1.1
93.07043	25.8
95.04957	2.4
95.08608	90.2
97.06525	9.3
97.10169	8.4
99.08087	7.7
104.99263	1.7
105.07025	14.5
107.08585	18.4
109.10162	46.7
111.08082	3.7
111.11701	1.2
112.14803	1.2
113.09636	3.3
119.08567	11.7
121.10145	18.3
123.08086	2.7
123.11688	17.3
127.11214	1.3
133.10101	15.9
135.11722	9.8
137.09569	3.1
137.13255	8.5
147.11678	10.8
149.13257	8.4
151.11211	1.9
151.14819	9.9
161.13258	11.2
163.14857	9.3
165.16383	8.5
175.14832	7.7
177.16376	2.6
179.14258	1.4
179.17929	4.3
181.15869	1.4
189.16380	3.6
202.44542	1.3
217.19331	1.3
245.22644	32.2
263.14691	7.7
263.23706	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.1
56.96560	100.0
57.03502	0.9
60.04519	0.7
67.05492	1.0
69.03429	1.4
70.06583	1.1
70.70720	3.1
71.95258	2.5
72.96040	3.2
73.08449	1.1
74.02419	3.8
74.06051	1.2
74.97594	1.4
81.07027	1.0
81.33633	1.0
83.97654	1.6
84.04488	3.4
84.08095	1.1
88.20179	0.8
89.94673	0.9
91.05489	1.9
96.94930	0.8
98.97590	5.7
110.06033	0.9
110.24911	0.9
116.98584	7.2
118.06503	2.1
122.07130	1.2
130.06534	1.0
132.08083	2.1
134.06049	1.1
134.99655	9.5
136.07523	0.9
150.87323	1.0
153.00713	1.8
158.06099	1.1
159.09219	1.5
167.03812	1.8
173.10774	1.2
176.03839	10.1
178.05400	12.4
181.01642	1.1
183.03271	2.5
183.66061	0.9
191.11713	0.9
192.03304	2.0
194.04889	8.3
195.03204	1.0
195.95070	1.0
196.06436	13.7
197.01241	1.1
200.11815	1.2
201.04324	7.6
202.10748	2.4
204.03351	4.2
208.02823	3.3
210.04434	2.0
217.06618	1.1
218.12827	1.7
219.08014	0.9
222.04367	61.4
223.04793	1.6
226.03839	6.2
240.05402	67.6
245.05997	5.6
263.07050	4.0
264.05319	9.0
264.13535	2.7
265.08286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01862	1.0
52.00858	1.2
53.03947	1.7
53.06803	1.1
55.05510	15.0
57.03439	1.6
57.07073	12.5
60.34855	1.1
65.03938	3.2
67.05504	87.9
68.13078	1.1
69.07067	15.8
69.55779	6.7
69.56188	2.4
71.04977	1.9
71.08630	5.8
79.05016	1.2
79.05493	26.6
81.07055	100.0
82.07399	1.7
83.04950	1.8
83.08620	15.4
85.06528	4.4
85.10168	2.9
91.05480	22.1
93.07043	24.8
95.04940	2.7
95.08605	86.3
97.06535	8.2
97.10183	5.4
99.08077	6.5
105.07030	12.1
107.08598	14.7
109.06546	2.0
109.10152	44.0
111.08044	5.7
113.09637	3.5
119.08593	12.1
121.10135	15.8
123.08043	3.8
123.11715	15.1
133.10126	13.5
135.11714	10.0
137.09622	2.6
137.13269	8.0
141.12709	1.8
147.11710	12.5
149.13260	6.6
151.14865	6.7
155.14247	1.4
161.13254	9.4
163.14832	6.8
165.16386	8.2
175.14838	4.3
177.16391	2.9
179.17981	3.3
189.16357	3.0
203.18030	1.7
217.19580	1.5
236.46768	1.2
245.22649	29.9
263.14590	1.2
263.23679	50.3
264.23947	1.7
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
53.03944	1.5
55.05507	16.4
56.46181	1.2
57.03417	1.9
57.07068	13.2
63.01431	1.1
65.03928	2.3
67.05500	86.4
69.07069	16.8
70.83464	1.7
70.83806	2.9
71.04978	2.2
71.08631	8.0
79.05487	25.3
81.00005	1.2
81.07050	100.0
83.04997	1.9
83.08619	14.4
85.06535	4.2
85.10167	3.0
87.13065	1.2
91.05472	17.9
93.07040	24.4
95.04983	2.4
95.08601	86.4
97.06529	9.2
97.10183	6.8
99.08073	5.2
105.07021	13.0
107.08590	12.8
109.10153	42.9
111.08075	5.1
113.09635	2.9
119.08577	11.6
121.10139	14.8
123.08063	3.3
123.11686	17.9
125.09572	1.5
133.10112	13.7
135.11710	10.5
137.09610	3.1
137.13239	6.7
141.12758	1.4
147.11713	9.5
149.13274	6.7
151.11182	2.4
151.14825	8.4
161.13243	10.5
163.14799	7.0
165.16412	9.6
172.27917	1.2
174.15390	1.3
175.14798	5.9
177.16222	1.5
178.99567	1.2
179.17957	3.5
184.77925	1.1
189.16374	4.5
189.24905	1.3
203.17900	1.3
204.13382	2.4
205.10941	1.1
214.99937	1.1
216.92661	1.3
221.19049	1.4
221.97093	1.4
245.22646	29.1
247.11531	5.4
248.12317	3.5
263.14716	34.8
263.17572	1.2
263.23691	56.7
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
52.53144	0.9
53.03935	1.7
54.79047	0.9
55.05265	1.2
55.05510	16.0
56.96545	1.5
57.03438	2.1
57.07074	11.6
60.07827	0.9
65.03931	3.4
67.05503	91.7
68.05843	1.2
69.07067	15.7
69.42184	1.8
69.42586	7.8
70.29996	0.9
71.04974	1.0
71.08631	5.6
79.05015	1.2
79.05489	22.4
81.07053	100.0
83.04969	3.1
83.08627	13.7
85.06539	4.5
85.10173	2.9
91.05482	18.0
93.06477	1.6
93.07044	24.4
95.04987	2.9
95.08603	86.8
97.06516	7.3
97.10159	6.5
99.08086	6.4
104.99270	1.3
105.07022	13.3
107.08597	16.1
109.06509	1.9
109.10151	46.9
110.10504	1.1
111.08067	4.2
111.11761	1.3
113.09631	3.2
119.08570	13.1
121.10152	15.6
123.08080	2.4
123.11704	17.5
133.10114	13.8
135.11702	9.9
137.09589	1.7
137.13220	5.2
141.12590	1.4
147.11687	9.5
149.13246	8.3
151.11192	1.9
151.14799	6.2
155.14229	1.7
157.10201	1.1
161.13234	11.2
163.14807	6.7
165.16403	7.0
175.14859	7.5
179.17931	2.3
181.15802	1.1
183.65997	1.0
189.16356	3.4
203.17957	1.1
234.89690	0.9
245.22655	25.6
263.23703	52.0
264.24030	1.5
270.86517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03947	1.1
54.18874	0.6
54.83281	0.6
55.01871	0.9
55.05508	16.3
57.03432	2.3
57.07075	13.6
65.03951	2.9
67.05503	90.8
69.07067	18.2
70.40778	2.5
71.04996	2.2
71.08627	7.2
79.05492	25.3
81.07053	100.0
82.07387	1.2
83.04983	2.4
83.08617	14.3
85.06532	5.0
85.10184	3.2
91.05477	18.3
92.58353	0.7
93.07040	24.6
95.04953	3.0
95.08602	92.6
96.08959	1.2
97.06530	7.7
97.10160	6.0
99.08092	6.2
105.07030	14.1
107.08589	14.0
109.06546	1.3
109.10151	43.7
111.08080	6.4
111.11671	1.4
113.09656	3.1
117.07001	0.8
119.08575	12.9
121.10137	17.4
123.08088	2.9
123.11710	17.6
125.09623	1.1
127.11206	2.5
131.08566	1.0
133.10127	15.6
135.11682	11.4
137.09622	2.7
137.13251	7.5
139.11163	1.1
141.12753	2.1
147.11688	10.8
149.13249	9.9
151.14793	6.8
153.12753	1.1
155.14323	0.9
159.11674	1.0
161.13260	10.1
163.14822	6.2
165.12816	0.7
165.16380	10.2
167.14391	1.4
175.14796	7.1
177.16389	2.2
179.17929	4.2
181.15842	1.9
189.16371	3.2
203.17929	1.1
217.19560	2.0
219.21043	1.4
245.22656	28.6
263.23691	57.4
264.24066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03942	4.6
55.01868	2.3
55.05507	17.2
57.07068	3.0
59.19603	1.5
60.00770	1.3
65.03962	2.1
67.05500	35.2
68.86462	1.4
69.03414	1.5
69.07065	19.5
69.45853	5.7
69.46276	5.3
69.65923	1.3
70.06594	1.5
71.04980	3.8
71.17869	1.1
79.05486	73.1
81.07050	38.9
83.04996	2.9
83.08611	8.5
85.02905	1.7
85.06554	1.8
85.53643	1.3
90.27760	1.4
91.05472	34.0
93.07038	100.0
95.04965	9.6
95.08594	28.9
95.09168	2.1
96.63429	1.3
97.06544	2.7
97.10178	3.9
104.99261	1.8
105.04521	1.4
105.07027	21.4
107.08587	60.2
109.06516	5.9
109.10143	12.5
117.07030	5.0
119.08566	20.2
121.06532	2.5
121.10136	47.3
123.08077	3.5
129.07025	2.5
131.08575	7.0
131.09435	1.3
133.10103	14.1
135.08080	2.7
135.11681	42.6
137.13181	1.8
143.08549	3.4
145.10135	4.3
147.08044	1.8
147.11714	8.3
149.09601	2.3
149.13251	18.1
152.70705	1.5
157.10126	4.1
159.11684	2.5
161.09627	3.3
161.13242	6.4
163.11125	2.5
171.11731	3.4
175.11232	2.6
181.12306	1.5
185.13307	2.7
185.94456	1.5
189.12744	2.3
193.12305	1.9
199.14807	3.2
203.14299	1.9
207.13881	2.9
217.15948	2.2
221.15323	3.6
227.17987	3.4
245.18881	3.4
263.16895	2.5
263.20053	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01764	0.9
56.05010	1.5
56.96559	3.5
57.03413	2.7
69.03439	2.2
69.07055	2.9
69.67918	7.2
70.06598	1.8
72.08138	0.9
73.02897	1.1
79.05451	1.0
81.07036	1.5
84.04498	16.3
84.08145	1.1
85.02901	27.9
86.06043	2.1
86.09702	19.5
87.04440	1.0
91.05477	1.8
93.07008	1.4
95.01302	2.1
95.08595	2.1
98.97548	1.7
102.05536	10.1
105.07026	1.5
107.04932	1.0
112.03915	1.6
113.02356	1.0
116.98608	1.5
118.06538	3.1
119.07316	4.4
128.90851	1.0
130.04994	100.0
132.08162	0.9
134.09642	99.2
134.99684	1.5
135.10063	1.1
146.99628	1.2
147.04449	1.5
150.05841	1.5
160.11296	1.2
161.05977	1.1
167.52039	1.1
188.50540	1.0
246.11415	1.4
263.13998	7.3
263.20160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Arglanin
Peak:m/z	Relative Intensity
54.78539	2.1
55.01858	3.7
55.05493	5.0
56.96544	4.4
67.05499	10.0
69.03414	4.8
70.06580	10.3
71.04967	2.3
71.46324	3.6
72.08144	3.9
73.94194	2.1
79.05478	8.7
81.07039	6.4
86.09682	3.3
91.05460	13.6
93.07027	7.8
95.04964	12.3
95.08591	15.5
97.06524	28.4
98.97580	2.5
103.05455	3.8
105.03378	2.4
105.07013	13.1
107.04921	7.6
107.08579	7.2
108.29077	1.8
109.06499	8.0
109.10041	2.3
111.04424	6.2
115.05415	4.9
116.98653	3.0
117.07029	4.7
119.08573	11.6
120.08071	2.5
121.06467	7.2
123.04422	13.2
123.08055	100.0
128.06218	4.2
129.07008	3.8
131.08542	4.8
133.02794	2.7
133.06451	6.1
133.10126	8.1
135.08031	17.7
137.05975	5.3
139.07491	4.5
141.06897	2.9
142.07779	5.7
143.08521	6.2
145.02835	4.7
145.06482	4.1
145.10101	4.8
146.07275	2.9
147.04359	2.7
147.08026	8.2
147.11716	4.0
149.05994	5.0
149.09612	3.9
156.09265	4.9
157.10112	6.7
159.08069	11.2
159.11667	6.5
160.07593	3.2
160.08827	5.0
161.05980	8.3
161.09592	9.5
163.07576	5.9
165.09105	88.0
167.06949	5.4
171.11624	4.2
173.09613	4.6
175.07465	3.0
175.11176	9.7
177.05482	6.5
177.09108	2.3
184.08952	2.8
185.09615	7.1
187.07559	3.4
187.11194	6.0
189.05452	6.6
189.09079	2.5
189.12679	3.7
199.11214	15.0
203.10655	16.3
205.08591	17.0
212.08430	2.4
215.10684	5.2
217.04877	3.5
217.12186	5.4
219.01845	2.4
227.10660	6.2
233.11665	4.1
245.11755	5.9
263.12814	19.5
263.16684	3.3
266.37646	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	263.1276
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
51.36857	2.4
53.03926	2.3
55.01858	5.3
55.05503	3.8
56.93515	2.0
56.96558	2.6
67.05487	8.4
68.40475	2.0
69.03406	7.3
70.06577	9.9
71.04989	3.6
71.56516	2.4
71.56885	3.1
72.08121	2.8
79.05465	7.5
81.07037	9.3
83.04952	4.8
91.05473	18.3
93.07026	8.6
95.04961	12.6
95.08611	16.1
96.31380	2.5
97.02885	3.0
97.06529	32.7
98.97552	2.3
103.05484	2.3
105.07024	14.2
107.04937	9.6
107.08588	7.5
109.02860	2.9
109.06489	7.4
111.04401	4.4
115.05431	5.5
116.98631	2.7
117.03319	2.5
117.07021	4.6
118.89890	2.2
119.08575	17.0
120.08092	5.5
121.06491	8.1
121.10132	3.5
123.04414	14.6
123.08058	100.0
123.08954	5.0
125.06013	3.2
129.06976	4.8
131.08572	10.1
131.71104	2.2
133.06454	8.1
133.10081	8.1
135.07062	3.0
135.08043	17.6
137.05966	5.4
139.07513	5.6
141.07007	3.8
142.07753	7.0
143.08542	8.2
144.09329	4.6
145.02768	3.0
145.06465	4.0
145.10115	4.2
146.07211	2.7
147.07990	7.1
147.11629	3.7
149.06000	4.9
151.07570	2.4
153.08943	2.1
155.08516	3.5
156.09351	5.9
157.10118	6.8
158.07237	2.9
159.08037	15.1
159.11646	7.9
160.07553	3.8
160.08815	8.4
161.05972	5.7
161.09586	10.2
163.07512	5.9
165.09096	83.4
167.07028	6.5
171.11682	7.6
173.09691	4.3
175.07523	2.5
175.11182	12.0
177.05396	4.2
177.89157	2.1
184.08826	4.3
185.09586	5.7
187.07542	3.4
187.11107	5.8
189.05489	7.2
189.12770	2.5
199.11205	14.7
203.10640	13.2
205.07013	3.0
205.08624	22.7
212.08260	3.7
215.10684	6.8
217.12213	6.0
227.10667	7.0
233.11696	6.2
245.11688	7.4
263.12643	19.7
263.16663	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.4
66.59068	0.8
69.03416	0.9
70.06588	28.7
71.04986	1.1
71.29927	1.7
72.08167	1.0
79.05461	1.0
81.07047	1.0
84.08157	1.0
84.33240	0.9
85.02927	1.0
91.05475	2.5
93.07011	3.1
94.06565	5.0
95.04956	1.1
95.08602	1.2
98.97594	1.4
103.05462	6.0
105.06993	2.1
107.08538	1.2
109.81104	0.8
115.05434	1.9
116.07084	69.9
116.98610	1.7
119.04950	0.9
119.08586	2.7
120.08099	84.2
121.08379	1.1
121.10163	1.1
128.03453	8.3
129.06956	1.0
130.06517	58.4
132.04442	23.6
132.08081	7.1
132.94556	0.8
134.05997	1.7
134.99696	1.1
142.06480	1.5
145.06496	1.3
146.06020	0.9
148.07500	0.9
152.07071	2.3
157.07607	100.0
158.06007	48.1
158.08107	1.6
159.06393	0.9
159.08040	0.8
159.09161	16.8
160.07570	2.5
171.04501	1.0
175.08673	48.7
185.07108	5.7
186.05524	1.8
187.11250	1.2
199.08688	1.8
201.10246	7.1
203.08150	50.3
204.06557	1.3
204.08411	1.3
217.09685	1.8
221.09183	17.0
227.08179	1.2
244.09189	0.9
245.09161	7.8
263.10608	4.9
263.13968	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88015	27.7
58.34857	27.8
70.36841	91.6
74.77863	35.9
116.36987	26.7
119.01917	67.5
161.02945	100.0
165.30478	27.0
263.01523	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86094	4.3
68.93622	4.3
70.36517	18.3
72.04514	6.0
80.77722	4.2
98.21432	5.0
101.00885	15.8
112.05043	8.1
113.00879	6.7
113.56695	4.7
119.01882	49.5
130.15617	5.1
131.01897	19.6
133.03477	6.3
137.02931	10.0
143.01904	23.8
148.89909	4.2
149.03035	5.6
155.01912	9.0
161.02937	100.0
173.02908	30.8
179.04021	6.3
185.03012	7.1
191.04045	20.2
203.04001	20.9
233.04941	4.9
248.37512	4.4
263.01761	31.6
263.05942	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.7
70.66064	0.9
70.70772	1.1
70.71125	2.7
71.71898	0.9
77.00903	2.5
82.99820	1.3
91.03986	0.8
95.01935	1.7
101.00869	9.2
106.86541	1.0
112.89617	8.1
114.89375	5.3
119.01920	49.8
126.92779	0.9
131.01930	5.4
133.03453	2.3
137.02969	12.4
143.00847	1.6
143.01900	19.9
143.49701	1.1
145.03427	4.0
155.01845	1.5
157.03470	7.1
161.02956	100.0
162.03027	1.7
173.02928	4.4
175.04617	4.5
179.04048	5.9
184.04521	3.8
185.02957	3.2
191.04057	4.7
203.04022	21.9
204.04095	1.0
221.05064	8.2
239.06126	6.5
262.57626	1.1
263.06094	56.6
263.92520	2.0
264.06232	2.0
266.71576	1.1
281.07098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1801
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07057	1.4
60.30776	0.4
70.06590	3.1
71.08607	0.8
80.50043	0.4
80.62508	0.4
81.63273	0.4
84.56135	0.4
87.04463	36.1
88.04729	0.4
88.07633	2.3
101.25122	0.4
106.08662	0.6
106.56647	0.5
114.09171	0.8
117.62252	0.4
118.06535	15.4
119.07327	0.8
120.08080	0.5
132.08095	6.6
132.09084	0.6
132.09267	0.6
132.10181	5.2
133.08865	3.5
134.09630	1.6
136.06155	0.7
146.09625	4.8
150.11252	3.3
176.14336	85.1
177.14604	1.0
180.74805	0.4
200.19998	0.5
210.88580	0.5
218.21170	0.8
229.47533	0.6
262.18011	100.0
262.23752	16.2
263.18292	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	262.1185
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
56.96552	6.2
59.85759	2.6
70.06583	4.3
70.89427	10.8
84.04491	6.1
85.02852	3.9
86.09675	6.9
88.03936	3.5
90.94758	2.7
99.84327	2.9
106.88295	3.1
115.05464	4.0
117.05743	9.8
118.06519	5.3
120.08084	10.0
125.58250	2.7
129.06998	3.6
130.04984	11.0
130.06508	70.3
131.07376	6.1
132.07996	3.4
133.07596	10.6
134.06030	6.9
134.09631	8.1
142.06491	5.2
143.07265	9.6
144.08054	21.4
145.07582	13.0
146.05981	22.6
147.04436	4.1
148.07590	7.2
153.54173	2.7
154.06473	14.8
156.06847	5.7
156.08063	20.4
157.07593	100.0
158.06027	13.3
158.08397	16.8
159.06766	3.5
159.09160	11.7
160.07521	4.9
161.07137	6.0
162.05479	3.5
169.07591	6.9
170.06087	3.6
171.05295	3.7
171.09174	33.5
172.07549	12.9
173.07091	21.8
174.05444	3.1
175.08699	18.7
181.07562	12.9
181.08971	3.8
182.05963	12.0
182.08264	3.3
183.09171	7.1
185.07083	49.8
188.09494	5.4
189.10292	15.6
198.10249	18.3
199.08655	30.3
200.07077	10.3
201.10303	14.1
203.08139	94.0
204.06526	6.6
209.07080	7.8
216.11317	34.4
217.09732	11.1
219.07520	4.6
220.08601	2.8
227.08134	42.0
244.10826	11.6
245.09213	45.4
246.07411	6.8
262.11795	48.1
262.14499	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	0.7
53.03942	4.7
55.01856	0.8
55.05507	17.2
57.03429	1.2
57.07076	6.8
59.41452	0.7
65.03934	2.5
67.05501	54.0
69.07065	15.7
70.02800	0.7
71.04987	3.1
71.08633	1.5
79.05489	75.7
81.07052	62.1
83.04990	1.1
83.08612	9.8
85.06536	4.7
91.05476	36.2
93.07037	91.8
95.04972	7.2
95.08603	47.6
96.08946	0.7
97.06525	3.8
97.10172	2.5
99.08096	4.9
105.04468	1.1
105.07024	24.6
107.04980	0.7
107.08589	62.8
109.06501	3.8
109.10152	19.3
111.08066	4.1
113.09651	2.0
116.06287	0.8
117.07028	8.9
119.08571	18.4
121.10137	53.2
122.10533	0.7
122.81713	0.8
123.08063	2.0
123.11697	6.9
125.09621	2.9
130.07793	1.3
130.48865	0.8
130.93665	0.7
131.08559	21.7
133.10126	18.1
135.08087	1.1
135.11685	45.3
137.09634	2.7
137.13211	2.1
144.09334	0.8
145.10110	20.2
147.11681	14.8
149.09599	1.2
149.13249	32.2
151.11189	1.1
151.14742	1.3
153.12782	0.8
155.14139	0.6
157.54182	0.6
159.11684	15.0
161.13254	15.5
161.61586	0.8
163.11234	0.9
163.14812	26.0
164.15283	0.9
165.12717	1.8
173.13252	14.5
175.14807	5.6
177.16408	5.8
179.14291	3.1
187.14804	9.0
189.16379	1.9
201.16388	3.5
215.16096	0.7
215.17972	2.8
217.19513	1.3
219.17480	1.2
229.16327	0.8
233.22658	1.6
243.21066	40.5
244.21565	0.7
261.22122	100.0
262.22476	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.05505	18.5
57.03427	2.7
57.07061	3.9
62.02343	1.1
65.03916	2.0
67.05502	49.9
69.07060	15.6
71.04986	2.7
71.08611	2.0
71.58011	1.3
77.03938	1.5
79.05486	75.1
81.07050	64.3
83.04979	1.7
83.08605	7.3
85.06519	3.5
91.05473	40.5
93.07037	96.5
95.04962	6.7
95.08602	49.1
95.09229	1.3
97.06504	3.6
97.10152	3.3
98.21606	2.4
99.08079	5.1
105.06319	1.8
105.07021	24.5
107.08582	58.9
109.06497	4.5
109.07239	1.2
109.09461	1.7
109.10158	19.1
111.08067	5.0
113.09644	1.5
117.07012	8.9
119.08568	20.2
121.10137	53.5
123.08041	1.6
123.11717	6.5
123.42220	1.2
129.06975	1.3
131.08557	19.0
133.10124	14.2
135.11681	43.0
137.09598	1.8
137.13261	2.0
139.11157	2.0
145.10092	15.9
147.11685	14.8
149.09538	1.4
149.13246	31.2
151.14735	1.5
159.11671	14.9
161.13225	13.7
163.14810	26.0
165.12775	1.4
173.13251	13.6
175.14839	4.8
177.16435	6.7
179.14320	2.1
187.14848	8.8
189.16418	1.4
201.16345	4.3
203.17899	2.2
205.15916	1.4
215.17943	1.5
217.19351	1.7
219.17509	1.3
229.26962	1.5
243.21071	35.6
261.22116	100.0
262.14450	1.3
262.22391	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.05507	18.9
57.03434	2.1
57.07076	4.2
63.28411	0.7
65.03928	2.2
67.05503	60.9
69.06728	1.2
69.07066	15.0
69.38548	6.1
69.38953	1.4
71.04973	2.9
71.08620	2.2
77.03894	1.2
78.04707	0.9
79.05491	79.8
81.03445	1.2
81.07054	66.0
83.04965	1.8
83.08619	10.1
85.06538	5.1
89.67797	0.8
91.04898	1.5
91.05477	43.3
93.07040	100.0
94.71316	0.8
95.04971	10.2
95.08605	45.9
97.06518	4.0
97.10157	3.4
99.08101	4.8
105.04512	1.0
105.07027	25.7
107.08591	63.6
109.06503	3.1
109.09462	1.4
109.10154	17.4
111.08059	3.4
113.09660	1.4
117.07004	8.9
119.06075	0.8
119.08583	22.5
121.10139	55.1
123.08041	2.0
123.11713	5.8
127.11246	0.8
131.08566	20.7
133.10126	18.8
135.11691	42.2
137.09599	2.2
137.13219	1.4
139.34697	1.0
145.10118	20.3
147.11684	15.5
149.13258	33.2
151.11166	1.2
151.14850	1.8
153.12788	1.0
159.11697	14.0
161.13252	15.4
163.11156	1.1
163.14833	21.9
165.12746	1.8
173.13243	12.9
175.14806	6.9
177.16357	6.8
179.14311	2.9
187.14793	10.2
189.16344	1.0
201.16371	3.5
205.15831	1.4
215.17947	2.1
219.17529	1.2
233.22594	2.3
243.21082	36.1
261.22134	97.6
262.22452	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03476	0.4
53.03935	2.7
54.28703	0.4
55.01863	1.8
55.05505	19.5
55.79551	0.4
57.03425	1.6
57.07066	4.8
59.05002	0.8
63.02314	0.5
65.03930	2.4
67.05496	58.8
67.24079	0.6
68.05795	0.6
69.07059	18.3
69.35990	0.9
69.36405	3.4
71.04977	2.2
71.08614	1.8
77.03946	1.3
78.04700	0.5
79.05485	81.1
80.05782	0.4
81.07047	67.1
83.04960	1.6
83.08606	10.1
85.06530	5.0
85.10189	0.7
91.05470	43.2
91.35509	0.5
93.07032	100.0
94.07359	1.0
95.04959	9.0
95.08595	48.5
96.08907	0.5
97.06533	4.7
97.10159	3.9
99.08088	5.3
103.05439	0.8
105.04512	2.0
105.07019	25.6
107.04989	0.5
107.08582	60.3
109.06500	3.9
109.10143	18.9
111.08050	4.9
111.11687	0.7
113.09626	1.7
115.05379	0.9
116.06234	0.5
117.06998	8.6
119.08566	21.1
121.10127	53.2
122.10455	0.6
123.08059	2.0
123.11690	5.6
125.09634	1.4
129.06998	1.0
130.07764	0.9
131.08556	19.8
133.10114	16.2
135.11678	43.2
137.09563	2.8
137.13257	2.5
139.11143	0.7
143.08559	0.7
145.10110	20.3
146.10608	0.4
147.11671	13.3
149.09564	1.0
149.13239	33.4
150.13580	0.9
151.11073	1.3
151.14798	1.4
153.12746	0.7
159.11685	12.8
161.13234	14.7
163.11171	1.1
163.14801	23.5
165.12741	1.7
171.11653	1.0
173.13249	12.0
175.14799	5.2
176.16118	0.5
177.12727	1.1
177.16345	5.4
179.14250	2.3
187.14813	9.1
189.16341	1.0
191.14320	0.8
197.44803	0.5
201.16368	4.1
203.17999	0.8
205.15860	1.4
215.18001	2.1
215.19781	0.5
217.19423	0.7
219.17439	0.8
220.31229	0.6
233.22623	1.5
243.21056	36.9
244.21457	1.1
261.22107	94.7
262.22464	2.8
267.52142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	5.5
55.05506	22.2
57.03418	1.5
57.07059	6.9
64.67288	1.5
65.03922	3.7
65.79411	1.5
67.05502	58.0
69.07059	13.4
69.88998	1.4
69.89745	6.8
71.04979	3.2
71.08614	2.3
77.03915	1.7
77.11649	1.5
79.05489	81.5
80.05778	2.1
81.07050	72.6
83.08615	9.9
85.06516	3.9
91.05479	41.4
93.07037	100.0
94.07512	1.6
94.53437	1.5
95.04951	8.3
95.08603	50.2
97.06496	4.2
97.10139	4.4
98.20862	3.2
99.08072	5.6
101.60558	1.6
105.04540	2.1
105.07028	30.5
107.08586	68.6
109.06503	5.0
109.10152	17.0
111.08057	4.2
117.07024	9.0
119.08584	19.8
121.10137	56.5
123.08024	2.1
123.11710	4.9
131.08557	18.6
132.75500	1.7
133.10110	17.7
135.11682	48.4
137.09595	3.9
145.10114	20.7
147.11691	14.3
149.13243	37.4
159.11681	17.7
161.13277	13.9
163.14824	22.2
165.12726	1.8
173.13210	11.7
175.14804	3.6
177.16374	4.0
179.14342	3.1
187.14864	8.8
189.16190	2.1
201.16324	3.6
204.72154	2.2
211.70763	1.6
215.17947	2.6
230.89661	1.5
243.21086	37.6
261.22116	87.9
277.32693	1.7
280.54364	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74786	0.6
53.03942	2.8
55.01863	1.3
55.05507	17.6
56.10635	0.6
57.03428	2.1
57.07070	5.3
57.07323	0.9
65.03922	2.5
65.45068	0.5
67.05499	55.2
69.07059	17.7
71.04980	3.0
71.08625	2.0
77.03913	0.9
77.88673	0.6
79.05486	79.1
79.61412	0.6
81.07050	64.8
83.04947	1.1
83.08607	9.0
85.06536	4.1
85.10188	0.9
91.05473	39.2
93.07035	100.0
94.07354	1.2
95.04955	9.0
95.08598	39.9
97.06528	5.4
97.10161	2.5
98.08184	0.7
99.08089	4.1
105.04559	1.3
105.07022	24.7
107.08583	59.2
108.08909	0.6
109.06513	3.7
109.10149	19.4
111.08092	5.0
111.11681	0.8
113.09598	1.2
117.07007	8.9
119.06125	0.7
119.07713	0.8
119.07958	0.5
119.08572	20.0
121.10131	50.2
123.08078	2.2
123.11683	6.3
125.09633	1.4
129.06999	1.4
130.07787	0.8
131.08562	18.8
133.10115	16.1
135.08044	0.8
135.11684	40.2
137.09616	1.8
137.13316	1.3
139.11095	0.9
141.82750	0.6
145.10106	19.5
147.11670	12.0
149.09598	0.9
149.12035	1.6
149.13245	30.2
151.11191	1.7
151.14816	0.7
153.12735	0.8
153.37535	0.6
157.09993	0.7
159.11682	11.0
161.13257	14.1
163.11252	0.8
163.14796	22.3
165.12729	1.6
171.11682	0.8
173.13239	10.7
175.14774	4.8
175.40111	0.7
176.49640	0.6
177.12755	1.0
177.16353	5.5
179.14316	1.6
187.14824	9.5
189.16331	1.2
191.14320	0.9
201.16362	4.9
203.17924	1.1
205.15909	1.3
215.17917	3.9
219.17503	1.4
233.22624	1.6
243.21060	32.6
244.21515	0.7
245.32990	0.6
261.22116	89.5
262.22351	1.2
268.56335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05515	1.7
57.07073	0.4
57.99054	0.4
67.05499	4.2
69.07059	3.2
69.84809	2.6
70.46603	0.4
79.05486	4.7
81.03355	0.4
81.07050	4.5
83.08623	1.3
85.02901	0.6
91.05476	2.9
93.07034	7.2
95.04951	1.0
95.08607	5.2
98.97578	0.4
103.05459	0.7
105.07027	5.4
107.08582	7.1
109.06492	0.5
109.10143	2.6
111.07980	0.4
111.59012	0.4
117.07024	2.5
119.08566	8.2
121.10132	4.2
123.04327	0.4
123.11694	0.6
129.07100	0.4
130.07797	0.4
131.08562	5.4
133.10106	3.3
135.11684	1.6
141.01839	0.6
142.07733	0.5
143.08606	0.6
144.09337	1.1
144.10521	0.5
145.10104	10.9
146.10887	0.6
147.11694	3.1
149.09604	0.6
149.13177	0.9
157.10162	0.7
159.11685	9.5
161.13268	1.4
163.11183	0.5
163.14819	0.6
171.11732	0.7
172.12437	1.1
173.13271	8.3
175.14885	0.5
179.10707	0.5
187.14777	1.2
193.12285	1.1
200.15671	0.4
215.17937	100.0
216.18219	3.1
237.02960	0.8
243.21117	1.2
261.18475	23.3
261.22043	2.9
262.14374	0.6
262.18750	1.0
280.96667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
52.05489	0.4
55.01868	0.7
56.05028	2.3
56.96294	0.8
56.96561	9.8
60.95846	0.5
67.05453	0.5
69.03420	0.8
69.07056	2.0
70.06586	2.3
71.31566	1.2
72.04498	0.8
72.08142	1.8
73.02927	0.5
74.06080	0.6
76.05128	0.9
81.07052	0.7
84.04498	8.9
84.05285	0.5
84.08141	8.6
84.96032	1.0
85.02887	1.4
85.08463	3.8
86.09699	100.0
87.09466	0.4
87.10031	1.2
88.03985	0.6
90.15833	0.5
92.98615	0.5
97.02859	0.6
97.06498	1.2
98.06063	0.6
98.97595	3.6
102.05535	3.9
110.84719	0.4
114.06651	0.8
116.98628	4.8
119.01899	1.0
119.04975	0.5
120.88115	0.6
124.07561	1.1
128.08177	0.6
128.98602	1.6
129.10207	1.6
130.04994	6.7
130.08641	1.0
130.10562	0.7
134.99632	3.9
137.77280	0.5
142.09726	0.9
143.00165	0.6
144.06570	0.6
146.99670	1.7
147.02274	0.7
147.11255	1.1
148.06039	18.0
149.01166	0.6
149.04834	0.7
153.00668	0.9
154.08632	1.4
158.99699	2.4
160.10829	1.5
161.01163	0.9
165.00725	0.9
169.01111	0.9
170.99675	0.9
172.01445	1.1
172.04298	1.1
175.02779	1.6
177.00687	2.8
189.00662	1.2
191.02208	0.7
193.03882	1.4
200.09085	0.6
201.00706	1.6
201.02415	0.5
215.10149	0.6
215.13989	0.7
219.01753	3.8
229.03183	1.3
229.12939	0.8
237.02655	3.4
243.04694	0.5
243.14406	1.6
244.17447	0.6
261.03137	0.7
261.05817	16.2
261.09769	2.3
261.14325	5.3
261.19678	0.8
279.03607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.3
56.40764	0.6
56.96561	11.9
57.03429	0.9
58.06593	1.1
60.04525	0.7
60.05645	1.1
67.05487	0.8
69.04555	1.7
69.07073	4.0
70.06584	3.2
70.80202	1.3
70.80573	1.5
70.97197	0.6
72.04510	1.7
72.08150	3.0
73.08470	0.7
74.02433	0.7
74.06065	1.9
76.05127	2.2
84.04501	13.4
84.08138	15.0
84.96031	1.1
85.02904	1.9
85.06536	0.8
85.07972	1.0
85.08464	6.5
86.09700	100.0
86.40500	0.6
87.10017	1.6
90.94901	0.7
94.07301	0.7
96.05597	0.9
97.06506	1.3
97.07634	0.7
98.06034	0.8
98.97571	5.3
101.10783	0.7
102.05547	5.3
110.07158	1.6
110.97553	0.9
114.06650	1.2
116.98627	6.2
119.01884	0.8
120.97919	0.7
121.01644	0.8
126.09134	1.5
128.07190	1.3
128.08199	3.2
128.98579	2.7
129.10239	2.8
130.05008	6.2
130.08609	1.4
132.10185	0.9
132.95883	0.8
133.03352	1.0
134.99648	4.7
136.07506	0.7
142.09732	3.0
143.00233	0.9
146.99683	1.7
147.11375	1.3
148.06046	15.7
148.11588	1.1
149.01218	1.2
153.00667	1.0
154.08589	1.6
156.90657	0.7
158.99690	2.9
160.10799	3.5
161.01151	1.7
170.99605	1.4
173.01125	1.0
175.02792	1.3
177.00693	2.9
178.00542	0.6
189.00670	1.3
191.02313	1.0
200.09312	0.9
201.00665	1.4
219.01822	4.3
229.03088	3.8
229.12920	3.0
237.02736	3.5
243.14555	3.7
244.17303	0.8
261.02988	2.0
261.05801	24.8
261.08936	1.6
261.15735	7.1
261.19913	1.8
276.17593	0.8
278.96707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26065	2.3
55.01867	5.7
55.05507	2.7
56.05021	8.0
56.96301	3.3
56.96561	50.4
57.03435	11.2
57.81077	2.5
61.02917	5.5
67.05489	2.4
69.03406	7.0
69.07047	5.0
70.06560	8.3
70.98121	4.2
71.55955	4.7
72.08132	3.6
73.02901	7.5
74.02395	2.3
74.06065	6.7
74.97598	3.3
76.05115	6.9
79.41156	2.4
84.04511	20.0
84.08140	48.0
84.96037	3.4
85.02882	7.9
85.06527	3.8
85.08483	22.5
85.86975	2.2
86.06049	2.7
86.09700	59.0
87.10016	6.2
88.99150	3.4
97.02856	4.6
97.06530	7.6
98.06056	4.5
98.97588	32.2
101.00840	3.3
102.05539	5.2
103.24963	2.3
110.97503	5.0
112.99127	3.4
113.03468	21.2
114.06655	4.2
114.59036	2.5
115.02439	2.4
115.03902	4.9
116.98615	20.4
119.01902	7.5
126.09129	9.4
128.98578	7.1
129.10220	5.8
130.04979	23.7
130.08617	6.9
131.00169	5.6
131.01880	6.2
133.01674	4.3
133.03455	4.9
133.04970	3.9
134.99646	8.4
140.98566	3.1
142.09703	3.8
143.00137	3.2
146.01241	2.8
146.99634	11.6
147.07640	11.0
147.11229	3.3
148.03842	9.7
148.06070	6.5
148.11542	2.9
149.01170	4.7
154.08636	14.7
155.01837	2.6
157.04468	3.6
158.99684	6.5
159.05028	5.3
160.10774	5.9
161.01196	3.5
161.02898	3.1
165.00703	7.0
170.99614	3.1
171.05020	4.3
173.02962	3.5
177.00754	7.7
187.00372	12.6
189.00784	4.2
189.06070	4.5
193.00119	3.0
195.04715	5.4
200.09100	5.4
201.00664	4.0
201.03712	6.4
205.01358	8.2
218.98152	2.3
219.01709	5.5
221.05042	8.6
229.03201	36.1
237.02811	10.1
240.46436	2.6
243.04807	4.4
243.14523	9.7
244.17491	4.2
253.07301	2.7
259.02338	4.9
261.05798	100.0
261.09396	61.0
261.15491	14.3
261.19910	3.2
262.06155	2.6
270.16064	2.4
278.96906	2.6
283.84454	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23393	1.1
54.82328	1.2
55.01861	1.2
55.05502	2.1
56.05017	5.5
56.96560	22.8
57.03423	1.7
58.06586	1.4
58.35262	1.1
58.99572	3.8
60.04498	1.8
61.02916	2.7
64.23527	1.0
65.03915	3.4
66.92471	1.5
67.05502	8.6
68.05028	1.3
69.06726	2.1
69.07064	27.0
70.02941	1.7
70.06583	6.8
70.98127	1.9
71.04976	1.6
71.56487	1.6
72.08152	5.6
72.93781	1.1
73.02897	1.5
74.06068	2.2
75.54595	1.1
76.02208	1.8
76.05109	2.9
79.05502	1.6
81.07023	2.2
83.01305	1.1
83.04963	2.3
84.04501	14.9
84.06461	1.2
84.08139	32.6
84.96002	1.8
85.02890	3.6
85.06493	1.3
85.08457	11.7
85.61143	1.1
86.06062	1.7
86.09702	100.0
87.05602	1.2
88.03992	2.5
88.47327	1.4
88.99113	2.1
91.05496	2.3
92.01279	1.8
93.07072	1.5
95.04977	6.1
97.06527	2.1
97.54979	1.7
98.97581	9.9
99.02668	3.3
100.02172	3.9
101.04230	10.3
102.01778	11.5
102.05515	5.8
110.06055	1.3
110.07123	1.4
110.97521	1.5
111.04414	1.7
112.07611	2.8
113.02122	2.0
114.06679	1.2
115.05476	1.9
116.98624	9.1
117.01820	3.2
118.14757	1.3
119.01865	2.0
119.04894	1.9
121.01591	1.3
124.07588	1.5
127.02148	8.4
128.07188	1.7
128.08199	3.6
128.98587	3.6
129.10216	3.4
130.05009	6.4
130.06477	1.6
130.08691	2.5
131.04854	2.0
131.06836	1.2
132.10144	2.1
134.99663	7.9
136.07553	2.0
138.99979	2.1
140.07036	12.1
142.08600	2.0
142.09673	2.2
144.13782	4.1
145.06461	4.6
146.99658	6.4
147.11273	1.7
148.02234	10.2
148.06056	14.0
148.11694	1.6
149.01196	2.5
154.08643	2.2
155.01608	2.5
158.07945	3.3
158.99586	2.9
160.10831	1.5
161.01224	3.3
165.00679	8.9
169.06541	1.4
171.02632	7.3
171.04364	5.0
172.01421	1.8
172.04260	31.5
173.05968	3.0
177.00716	3.6
179.02290	1.4
180.04742	1.5
185.06013	1.4
187.07559	1.4
189.00734	2.3
190.98616	2.0
197.01292	1.6
197.05936	3.2
197.12823	2.0
198.11177	1.3
201.00664	2.7
205.00208	2.4
215.06738	3.4
219.01752	3.7
223.01259	4.6
225.14775	1.3
237.02803	4.6
243.13533	1.4
244.06364	7.5
244.17244	1.6
261.05801	78.1
261.15619	6.8
261.20038	2.7
271.71155	1.6
279.04013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1968
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
53.80972	0.4
55.05501	0.6
56.05031	3.8
56.96561	2.9
57.03444	0.4
64.72049	0.4
67.05501	1.3
69.07056	0.8
69.62377	1.4
69.62806	1.6
70.06586	1.5
73.02961	0.5
82.67231	0.4
83.06099	1.9
84.04498	4.4
84.08139	100.0
84.96028	0.5
85.02915	1.4
85.06492	0.5
86.06066	1.1
86.09698	9.2
98.20766	0.9
98.97577	0.7
100.67474	0.4
101.07162	0.5
101.10767	2.5
112.07555	0.7
114.05583	0.6
116.07063	0.7
116.98632	1.2
119.01934	1.9
120.02007	2.9
121.01675	1.4
121.03516	0.6
129.10234	11.4
130.04991	1.9
130.08632	4.9
131.01878	0.6
131.96246	0.4
132.02025	0.6
132.10208	0.9
132.95847	0.4
133.01677	0.4
133.03494	0.9
134.99683	1.1
137.02988	0.7
138.03073	0.9
143.01944	0.6
146.99677	0.8
147.01332	0.4
147.07617	1.9
147.11278	9.2
150.03038	0.5
150.96948	0.6
151.04539	0.7
151.13808	0.4
152.07117	0.5
156.53841	0.4
161.01271	0.7
162.03101	0.8
163.02811	0.5
177.00800	0.5
189.00655	0.5
190.02701	0.5
196.14474	0.5
197.12936	0.8
201.00719	0.6
218.02145	0.9
219.01828	0.7
229.03287	1.6
237.02789	0.7
242.15022	2.1
242.18542	0.8
243.04585	0.5
243.13445	0.9
243.17033	7.3
260.19672	9.9
261.05820	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.01851	1.3
55.05488	0.6
56.05031	7.8
56.96563	9.2
57.03429	0.8
58.06584	0.9
60.04504	0.8
67.05505	1.3
69.03418	1.2
69.07062	3.4
70.06592	3.7
71.05007	0.8
71.56700	0.7
72.04533	0.6
72.08143	2.2
73.02897	0.6
74.06075	0.8
74.97614	0.8
76.05132	1.2
81.03406	1.3
82.06563	0.7
83.06097	32.4
84.04499	45.4
84.08138	100.0
84.96018	1.2
85.02908	1.4
85.08439	0.7
86.06064	5.0
86.09700	63.5
87.04458	0.6
91.05451	0.7
96.04482	0.8
96.79307	0.5
97.02898	1.3
97.96772	0.6
98.06036	0.5
98.97581	3.6
101.07121	3.2
101.10775	3.0
102.05544	1.0
104.10726	1.2
112.07613	1.0
114.05489	0.6
116.00225	0.8
116.07092	1.4
116.98598	4.9
119.01877	1.0
120.01983	0.6
128.00223	0.8
128.98608	1.4
129.06554	2.7
129.10229	17.2
130.04988	6.5
130.08633	12.8
130.10542	0.5
131.01993	0.7
132.10188	13.7
133.98883	0.7
134.99661	3.4
138.05542	0.9
141.06557	1.2
142.08635	0.6
143.11729	1.2
146.01294	1.4
146.99652	2.3
147.03128	1.1
147.07629	5.6
147.11273	15.5
148.05952	0.7
149.01201	1.1
152.10727	0.8
153.00693	0.6
158.99649	1.6
160.02831	0.9
160.04597	1.0
161.01224	1.6
162.99097	0.7
163.02673	0.8
165.00749	1.2
170.99646	0.8
174.99290	0.7
175.11891	0.6
177.00708	1.6
178.03889	1.3
178.05713	0.7
179.02260	0.7
189.00615	1.3
189.02121	0.8
193.00204	1.4
196.14468	4.5
197.12842	16.4
197.16600	0.7
201.00726	1.3
207.03046	1.3
218.06282	0.8
219.01791	2.5
225.12407	1.3
225.15845	0.8
229.03221	2.3
237.02876	2.6
242.14973	29.3
242.18840	0.8
243.10863	1.0
243.13348	12.0
243.17026	4.4
246.68469	0.6
255.03862	0.8
260.07562	0.6
260.17059	1.0
260.19635	10.5
261.05750	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.45754	1.3
56.05035	9.7
60.04521	1.5
67.05528	2.3
67.89522	1.3
69.07090	6.7
70.06593	2.5
70.78162	2.4
70.78499	3.0
72.08153	9.7
76.89587	1.4
83.06103	74.8
83.39021	1.3
84.04503	97.1
84.08142	41.5
84.08531	0.8
85.02888	1.8
85.04830	1.8
86.09704	100.0
91.05485	2.0
101.04250	7.5
101.07130	6.3
102.05586	1.5
104.47822	1.3
107.14779	1.2
110.09778	1.3
112.07610	1.3
116.20589	1.5
117.73225	1.4
119.04903	1.8
126.55276	1.4
129.06589	5.5
129.10225	7.6
130.05005	3.1
130.06557	2.1
130.08658	4.0
132.10201	35.3
141.06598	3.3
144.06520	7.2
147.11302	5.9
157.13370	4.8
161.09232	6.1
172.04289	12.9
196.14436	11.0
197.12836	34.8
198.11380	2.1
225.12361	4.0
242.14998	73.6
243.13388	28.4
243.15750	1.9
260.16223	2.3
260.19687	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03931	4.3
55.05509	13.5
57.03437	2.4
57.07061	6.4
65.03947	3.2
67.05502	26.3
69.07070	10.9
70.86734	1.7
71.04990	2.1
75.45135	1.8
77.03966	2.1
79.05482	32.6
81.07055	28.6
83.08603	8.2
85.06490	2.4
91.05476	60.9
93.07033	22.8
95.04977	5.1
95.08598	15.7
97.06513	3.4
97.25880	1.7
103.05437	3.4
105.03383	14.0
105.07024	96.1
107.08582	13.4
109.10123	6.0
111.08074	3.0
115.05417	3.5
117.07011	46.3
117.07844	2.3
119.08582	57.1
121.10122	10.4
128.06189	5.8
129.01891	2.8
129.06999	23.3
130.07765	4.4
131.08557	51.5
133.10129	50.5
135.08078	2.3
135.11668	7.3
139.11186	2.0
142.07785	2.6
143.08545	31.3
145.08990	1.5
145.10100	43.1
147.08064	2.2
147.11691	40.4
149.13226	3.5
156.09299	2.4
157.10104	21.8
159.11684	64.9
161.09581	3.1
161.13239	31.2
171.11673	28.7
173.13258	33.1
175.14816	11.1
185.13226	28.9
187.14752	2.7
188.79523	2.6
189.12772	2.8
198.24521	2.0
199.14790	19.5
213.16397	4.4
215.17944	4.7
231.21138	2.7
241.19519	36.0
259.11359	3.6
259.20563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05501	0.6
56.05029	6.2
56.96560	9.3
57.03435	1.2
58.06599	0.7
60.63405	0.5
63.49446	0.6
66.56294	0.6
67.05499	1.4
69.03432	0.8
69.07069	2.5
70.06589	3.7
70.82328	0.5
71.56498	0.6
71.56913	0.8
72.04504	0.9
72.08135	3.0
73.97979	0.6
74.06061	1.1
76.05128	1.2
81.03394	0.7
82.06577	0.6
83.06098	32.1
84.04499	44.5
84.08136	100.0
84.96017	0.7
85.02863	3.0
85.04844	0.7
85.06513	0.5
86.06059	5.1
86.09699	64.4
87.04419	0.9
88.03988	1.0
90.97035	0.8
96.04492	0.6
97.02892	1.2
98.97572	4.3
101.07106	3.4
101.10779	2.5
102.05526	1.7
102.09182	0.7
112.07615	1.0
113.07076	0.8
114.10358	0.6
116.00314	0.8
116.07113	1.8
116.98617	5.3
119.01882	1.3
121.01739	0.7
127.04021	0.9
128.98589	1.6
129.06586	3.5
129.10229	18.4
130.05003	5.4
130.08623	12.8
132.10196	16.4
134.99637	4.1
140.98553	0.7
141.06607	1.0
141.10197	0.8
142.08688	0.6
143.11794	1.4
145.02698	0.7
146.99655	2.2
147.07623	7.0
147.11264	17.7
147.24323	0.6
148.06056	1.3
149.01199	0.8
149.97159	0.6
158.99704	1.6
160.02869	1.6
160.04582	0.9
160.07245	1.1
161.01178	1.1
163.03891	0.8
167.43527	0.5
170.03172	0.6
170.99687	0.7
176.02304	0.7
177.00754	2.6
178.01158	0.6
178.03821	1.1
179.02296	0.8
189.00656	1.5
193.00206	1.6
196.11726	0.7
196.14490	5.4
197.12839	14.7
201.00702	2.5
205.56088	0.6
207.02994	1.8
218.06216	0.7
219.01814	2.4
225.04120	0.6
225.12326	1.4
225.15955	0.8
229.03221	2.4
237.02841	3.6
242.14978	32.3
243.13356	14.4
243.17137	5.0
255.03957	0.9
260.04556	1.0
260.17062	1.1
260.19681	13.1
261.03049	1.0
261.05774	7.5
279.03912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05507	14.6
57.07061	4.7
67.05489	14.1
69.07063	46.3
71.05030	30.1
71.05431	5.4
79.05473	6.9
81.07056	21.7
83.04966	6.0
83.08601	11.4
85.06547	25.2
90.66357	2.6
91.05468	16.0
92.26829	3.0
93.07034	19.6
95.08607	20.2
97.06529	5.0
98.21349	3.3
98.91121	2.7
104.26215	3.2
105.07029	26.8
107.08607	24.7
109.06486	8.7
109.10136	16.3
111.08072	8.5
117.07021	9.8
119.08574	63.4
121.10122	17.2
123.08091	3.2
123.11698	27.4
129.07013	3.0
131.08563	19.3
133.10126	46.4
135.08018	11.1
135.11659	9.5
136.27136	2.8
137.09601	4.0
142.07719	4.2
143.08536	11.2
145.10104	44.3
147.11671	25.5
156.09308	6.4
157.10085	10.3
159.11707	33.1
160.12407	5.2
160.29996	3.1
161.13240	38.5
163.11171	7.1
171.11687	18.6
173.13223	9.6
175.11217	4.9
175.14824	89.1
176.15472	6.1
177.12721	7.3
177.16389	8.0
185.13252	18.0
189.16396	8.9
190.13589	5.8
191.14304	4.3
191.72690	3.2
199.14745	6.1
201.16362	34.8
203.14404	14.1
215.17970	7.3
217.19507	8.3
237.04146	2.8
241.19484	13.9
259.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03935	3.0
54.15564	1.9
55.01859	2.0
55.05512	26.1
57.07066	9.0
58.54753	2.0
59.08785	2.0
62.06081	2.9
67.05506	15.7
68.01517	1.7
69.07076	10.8
70.55610	1.7
70.64213	4.3
70.64783	1.9
71.08624	7.4
72.04503	6.6
79.05492	14.6
81.07063	17.9
83.08620	14.7
91.05480	41.1
91.28143	2.0
93.07040	16.8
95.04965	4.0
95.08606	15.9
99.08111	4.7
99.65626	1.9
103.05462	2.5
105.07025	58.2
107.04940	6.4
107.08591	8.4
109.06521	2.2
109.10149	3.7
115.05454	4.4
117.07014	34.2
119.04945	4.9
119.08581	34.2
121.06479	15.9
121.10137	5.8
123.08051	2.1
128.06215	6.1
129.07008	28.2
131.08572	31.3
133.06485	35.1
133.10138	26.2
135.11713	2.2
142.07797	3.5
143.08556	25.9
145.06544	1.9
145.10109	30.0
147.08105	10.3
147.11705	18.1
151.11192	2.2
157.10133	18.6
159.11716	30.5
161.09572	3.7
161.13283	11.5
163.11229	2.6
171.11685	17.8
173.13235	19.8
175.11124	3.5
177.12778	5.4
185.13271	22.3
187.14777	4.2
189.12746	77.9
199.14783	10.0
203.14459	3.2
213.16399	2.2
213.24110	2.2
231.21313	2.3
231.25139	30.2
241.19524	17.8
241.23441	9.4
259.20593	100.0
259.24637	31.2
260.20630	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02370	0.8
53.03929	2.1
53.32450	0.5
55.01870	0.9
55.05262	0.9
55.05508	10.6
56.04090	0.5
57.03428	2.2
57.07070	4.0
64.13097	0.6
65.03928	1.5
65.58102	0.5
66.72220	0.6
67.05503	28.0
69.06722	0.8
69.07065	9.5
69.90532	2.9
69.90956	1.0
71.04967	2.1
71.08616	1.5
71.26174	0.6
79.05489	23.1
81.07053	24.8
82.09655	0.6
83.04970	2.2
83.08604	3.3
85.06519	2.6
91.05476	50.6
93.06473	1.3
93.07039	19.7
95.04967	3.8
95.08602	16.8
97.06526	3.9
97.10155	1.1
98.28928	0.6
99.08088	1.8
103.05471	2.2
105.07024	72.1
107.04296	0.6
107.04956	2.4
107.08592	12.3
109.06519	2.0
109.10153	5.6
111.08067	2.1
113.09618	1.1
115.05463	1.1
116.06232	0.7
117.07014	20.4
119.04922	0.6
119.08574	53.6
121.10146	8.1
123.04421	1.0
123.08064	1.5
123.11687	1.9
126.57343	0.6
128.06190	3.1
129.06047	0.6
129.06990	11.7
130.07777	2.1
131.08568	24.1
133.03488	0.7
133.06505	0.7
133.10126	40.5
135.08029	1.5
135.11710	5.2
137.05984	3.9
139.11160	1.0
142.07756	1.8
143.08540	10.7
144.09286	1.1
145.10115	23.3
146.10744	0.7
147.08038	2.4
147.11685	31.6
149.09598	1.4
149.13268	3.4
151.11172	0.6
155.08559	1.1
156.09261	0.8
157.10121	10.9
158.10703	0.7
159.11684	18.4
161.09595	2.0
161.13245	22.6
162.13602	0.7
163.11159	1.4
163.14789	1.3
169.10109	1.0
170.10870	0.8
171.11687	14.5
173.13257	10.5
175.11186	2.6
175.14815	13.0
177.12753	2.0
183.11671	0.7
185.13246	11.1
187.14864	3.2
189.12720	1.9
189.16373	1.2
191.14291	1.0
199.14839	7.6
201.16336	1.2
203.14348	1.3
213.16405	5.8
215.17938	3.8
217.15848	0.9
217.19522	0.9
231.17448	1.9
231.21051	2.8
241.19495	21.4
259.09653	1.8
259.20563	100.0
260.20917	2.0
260.23517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.40298	1.5
52.14246	1.4
53.03909	2.5
55.01860	2.7
55.05515	14.3
57.03436	1.6
57.07061	4.8
60.37000	1.3
67.05500	26.9
69.07056	11.8
70.70322	4.3
70.70676	2.0
71.04997	1.7
71.08622	3.3
79.05490	25.7
81.07051	26.3
83.05003	2.1
83.08611	5.7
85.06540	2.6
91.05479	52.9
93.07041	23.3
95.04932	4.1
95.08606	19.4
95.32828	1.6
97.06522	2.1
99.08071	3.6
103.05457	1.8
105.07030	78.6
107.04925	2.9
107.08608	15.0
109.06506	2.3
109.10135	6.7
111.08089	2.9
117.07014	18.6
119.08578	48.6
121.10164	9.2
123.11690	2.7
125.09650	1.6
128.06215	3.2
129.06979	12.4
131.08568	24.2
133.06470	1.4
133.10124	41.0
135.11687	3.2
137.05968	2.8
137.66959	1.5
142.07780	3.0
143.08569	13.4
144.09293	1.5
145.10110	23.1
147.07993	2.2
147.11682	37.1
149.09613	3.2
149.13258	3.3
157.10149	13.4
159.11700	19.0
161.09532	2.3
161.13239	22.1
163.11169	2.4
171.11697	12.4
173.13289	11.6
175.11180	3.0
175.14804	10.3
177.12805	1.9
185.13261	13.8
187.14856	1.9
189.12787	2.8
189.16484	2.1
191.14223	1.8
199.14828	7.0
213.16315	5.3
215.18059	2.1
231.21030	3.4
241.19496	25.5
259.09711	2.3
259.20566	100.0
260.20889	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.01315	2.8
53.03932	4.3
55.01879	5.1
55.05503	18.2
56.96557	9.7
57.03420	3.6
57.07056	8.8
58.59993	2.9
67.05237	2.8
67.05507	33.2
69.03416	12.1
69.07072	22.0
70.12453	15.4
71.00778	2.5
71.04974	6.0
79.05497	22.2
81.03419	4.9
81.07046	39.4
83.04971	8.8
83.08620	5.4
83.55320	3.1
85.06532	25.5
86.09695	4.2
89.03862	3.9
91.05483	26.7
93.07041	27.2
95.04960	9.5
95.08607	41.6
97.02876	3.4
97.06522	30.8
98.97587	4.0
99.08086	26.3
105.07018	49.9
107.04960	7.3
107.08580	29.2
109.06498	9.9
109.10156	25.2
111.08043	3.1
115.05447	3.8
117.07025	11.8
118.79614	2.8
119.08585	56.9
121.06489	3.4
121.10135	52.4
123.08065	4.7
123.11687	11.8
125.09595	7.5
128.06192	3.4
129.06998	9.0
131.08527	19.5
133.06482	4.5
133.10121	55.2
134.99693	5.0
135.04349	5.4
135.08061	5.6
135.11659	5.8
137.05969	3.8
137.09584	3.6
139.11153	7.3
142.07732	10.8
143.08542	15.9
145.06454	4.6
145.10138	26.1
147.04382	4.1
147.08081	8.2
147.11674	33.6
149.01234	5.2
149.09612	3.4
149.13231	3.9
151.11198	6.8
155.08582	5.4
156.09315	7.4
157.10121	26.2
158.10902	3.9
159.08073	3.3
159.11681	38.2
161.09634	10.0
161.13255	9.1
163.03905	12.7
163.07512	6.7
163.14809	4.0
165.12767	6.5
167.02231	3.6
169.10149	4.1
170.10913	6.6
171.11688	18.3
173.02385	10.6
173.13264	14.5
175.11122	9.4
175.14804	10.7
177.12755	4.7
179.14339	9.7
184.12314	4.2
185.13239	27.0
189.12749	6.1
189.16330	5.1
190.13490	4.5
191.14333	8.4
199.07567	3.7
199.11252	3.9
199.14781	29.6
201.16388	47.0
202.43204	3.4
203.10657	3.8
203.14305	9.9
213.16266	5.4
215.07001	10.0
215.18074	3.7
217.15785	5.4
238.09660	4.7
241.15927	4.3
241.19460	15.8
259.09631	13.4
259.13684	4.0
259.16830	4.5
259.17401	5.0
259.20578	100.0
259.24109	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	259.111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
53.03926	1.8
55.01871	6.2
55.05502	8.3
56.05030	60.4
56.96553	0.8
57.03412	1.1
57.07065	1.2
57.15137	0.7
57.98804	0.9
58.99580	20.3
60.04508	2.7
61.01145	3.5
62.00675	0.8
65.03931	0.7
67.04225	0.8
67.05485	2.6
68.05022	10.5
69.05785	0.6
69.07067	1.6
70.02947	8.6
70.06549	1.5
70.99576	5.5
71.56412	0.9
72.08151	1.3
73.01147	3.7
74.00630	1.7
74.02442	3.7
76.02231	4.1
76.04002	7.8
79.05065	1.1
79.05486	14.1
80.05006	7.7
81.05791	4.4
81.07049	10.6
82.06570	3.2
83.08575	1.5
84.04502	11.3
84.08134	4.6
85.01122	28.6
85.04014	1.2
86.00137	1.1
86.00642	19.5
86.09683	1.2
86.99045	9.9
87.02686	8.7
88.02210	6.1
88.03968	1.5
91.05452	2.9
93.05770	1.3
93.07053	3.5
94.06556	8.0
95.04955	3.1
95.07323	2.1
95.08592	2.7
96.04504	0.7
96.08121	11.0
97.01112	6.6
97.08876	0.6
98.09682	90.9
99.02672	1.2
99.05519	1.6
99.10011	1.0
100.02180	2.4
100.03938	0.9
102.03760	1.5
102.05534	17.3
105.07024	3.6
107.07293	0.8
108.08109	8.8
109.08875	2.4
110.09668	18.5
110.42248	0.7
111.02631	1.3
112.03964	11.4
113.04223	41.3
114.03720	3.6
114.05502	1.6
115.05790	2.2
116.01668	35.1
116.03416	1.5
120.08092	2.3
121.10081	0.8
122.09657	11.7
123.08076	0.8
123.10427	3.0
127.03825	0.8
127.05757	1.0
130.04985	10.6
130.06868	9.9
130.08603	6.1
132.01181	0.8
139.05768	3.4
143.02744	5.8
144.01137	7.0
145.06050	6.8
156.08406	61.7
156.10178	79.8
157.10460	1.6
162.02203	10.9
168.05615	0.8
170.07133	3.2
174.02190	1.2
177.03317	0.9
184.07834	1.5
188.03719	2.8
188.06700	0.7
188.08099	3.9
189.03270	5.6
189.04738	1.0
202.08928	0.8
213.10461	2.1
214.06081	2.3
216.06885	18.1
231.11288	1.4
232.07182	4.7
242.08405	3.9
259.08273	11.3
259.11072	100.0
259.16705	2.0
259.52832	0.6
260.08826	0.8
260.11368	2.5
260.33530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22126	0.6
53.03936	0.7
56.96570	0.6
59.99110	0.7
65.03935	5.7
67.05503	29.4
69.03413	0.8
70.06561	0.9
70.87916	1.6
80.05003	1.5
81.03422	0.7
81.04542	1.9
81.05768	1.4
82.06596	1.1
84.04506	1.3
84.08140	1.0
85.02876	0.7
86.09715	1.3
87.97527	0.6
92.04964	1.2
93.03385	1.1
95.04971	10.5
97.01102	2.3
99.02679	6.8
105.72355	0.6
106.83113	0.7
109.05248	2.2
110.06021	1.6
114.03775	3.1
120.04435	1.6
124.02148	3.0
124.38631	0.6
125.00573	4.3
125.07111	1.7
127.02143	4.0
130.05017	0.8
136.03954	0.7
138.05495	78.2
140.05273	0.6
142.03230	4.0
143.08104	1.2
152.01656	4.7
153.00050	3.9
168.04756	4.0
170.02704	100.0
171.03049	1.0
196.04230	1.4
198.07545	0.7
213.06943	2.7
241.15559	0.7
242.04829	6.7
259.07632	3.0
259.16608	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	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
56.05027	1.5
56.96562	4.7
58.99569	0.6
60.05619	0.4
61.59131	0.4
65.03918	0.4
67.04247	2.5
67.05481	0.6
69.03412	0.8
69.07050	0.6
70.06579	1.5
70.86861	0.4
70.92805	0.4
70.93169	1.0
70.98106	0.5
72.08147	0.9
73.01118	0.9
74.00657	7.6
76.05116	0.7
84.04495	1.8
84.08139	4.8
85.02889	1.1
85.08466	1.7
86.09681	1.3
88.99126	0.5
95.04943	0.7
97.02891	1.2
98.09612	0.4
98.97543	0.7
99.02661	0.8
100.02196	100.0
101.02541	0.7
102.05533	0.5
108.35202	0.4
110.03593	0.5
110.45004	0.3
114.05521	0.4
115.08717	0.5
116.98651	0.6
118.03230	4.8
120.01143	0.4
123.04404	0.8
129.10220	2.1
130.10559	1.4
134.99628	0.4
143.00122	0.5
146.02696	87.7
146.99643	0.6
147.03052	0.9
147.15189	0.4
149.02293	0.4
158.99602	0.5
161.01230	1.3
171.01064	0.5
177.00694	2.4
179.02286	0.8
187.07469	0.6
205.00264	0.7
209.76903	0.4
213.06926	22.5
217.00180	0.8
231.06483	0.6
235.01204	0.9
238.62122	0.4
259.07504	13.5
259.16449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93547	0.9
56.96563	19.9
71.12258	1.1
71.12582	1.7
71.95248	1.5
84.66826	0.8
91.33296	1.0
98.97574	64.4
99.97831	0.9
102.83701	0.9
116.98610	86.3
118.98198	1.8
118.99021	1.2
119.01883	3.8
120.77943	0.9
134.99648	100.0
137.02982	2.1
140.00153	2.4
152.99481	1.3
153.00697	21.3
158.01256	5.2
164.91318	0.8
176.02296	1.4
176.97350	0.9
177.00908	13.2
178.01012	2.8
179.00664	3.0
194.98392	1.1
197.18983	0.8
197.25816	0.9
201.00914	1.4
203.71532	0.8
205.02379	1.2
210.95682	1.2
217.43454	0.9
219.01990	43.3
220.02081	9.1
221.01794	2.1
230.10916	0.9
234.99638	1.8
236.99446	3.1
240.36862	0.9
240.98674	3.8
242.03598	1.7
258.99689	38.2
277.00702	83.8
278.01025	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.78879	0.9
53.03938	1.5
53.28022	0.9
55.01856	1.6
55.05510	11.5
57.03421	2.3
57.07073	2.0
59.04997	0.9
60.08156	1.5
63.93134	0.7
67.05502	26.1
69.07057	4.4
71.04973	1.4
71.58649	1.6
79.05492	6.5
81.07050	15.4
81.63792	1.1
83.08612	2.1
85.06529	1.0
86.77397	0.7
90.09576	0.8
91.05473	17.4
93.07030	4.2
95.08616	8.9
97.10135	1.3
105.07026	14.7
107.04932	1.2
107.08590	3.2
109.06522	1.0
109.10140	5.2
115.05434	2.7
116.06219	3.7
116.98536	0.9
117.07019	14.7
119.08613	5.0
121.10130	2.2
128.06218	6.4
129.07010	11.4
130.07774	5.0
131.08560	100.0
132.08875	2.1
133.06511	2.3
133.10091	3.0
134.99693	1.5
141.07001	5.7
142.07782	3.4
143.08556	27.1
145.06482	4.2
145.10112	71.4
146.10468	2.1
147.08046	1.7
147.11697	3.9
154.07768	1.6
155.08537	7.6
156.09230	1.1
157.10150	13.9
159.08060	1.9
159.11691	11.3
161.09581	1.4
165.12770	2.3
169.10147	9.0
171.11667	13.3
173.09560	1.6
173.13260	3.6
175.11226	1.6
183.11684	9.4
184.12132	0.9
185.13257	3.3
187.11115	7.0
187.14786	1.2
189.12686	1.6
197.13290	7.8
199.14801	1.9
201.12778	1.2
211.14787	1.5
213.16370	0.9
215.14256	1.7
215.17989	1.0
229.19563	1.2
235.02956	0.9
239.17989	8.4
257.19000	41.1
257.30338	5.0
258.19330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05513	0.8
56.05030	4.2
56.96561	9.6
61.02922	5.2
67.04251	0.9
67.05515	0.8
69.03431	1.6
69.07078	1.2
70.06580	3.9
70.98117	1.3
71.30265	1.5
72.08157	1.6
73.02923	0.8
74.00657	2.2
81.04535	1.0
82.06577	0.8
83.00776	1.1
83.06097	1.2
83.97672	0.9
84.04504	23.7
84.08139	100.0
85.02909	2.0
85.08476	0.9
86.09693	4.2
88.99113	1.4
92.01302	2.3
94.83649	0.6
95.06143	0.6
96.39967	0.5
97.02927	0.9
98.97573	2.8
99.02005	0.7
100.02196	30.4
101.10783	2.6
102.05534	1.6
104.10739	1.4
108.04392	0.6
110.07199	0.7
111.09195	1.1
116.98646	3.1
117.01862	2.7
118.00990	1.1
118.03239	1.4
119.01828	1.1
126.05564	0.8
128.02214	0.6
128.98605	1.8
129.10234	93.7
130.04987	6.3
130.10562	1.4
130.17662	0.7
132.00749	3.5
134.99648	2.5
136.06146	0.7
139.01540	0.8
141.01248	2.8
146.01471	1.0
146.02698	28.5
146.99666	3.2
148.02003	4.6
149.04436	0.8
154.00182	1.6
155.04533	0.8
157.02596	2.6
159.52916	1.0
161.01114	2.5
164.02333	2.8
164.05130	0.7
165.00699	3.6
166.03049	0.9
170.01543	1.3
174.00722	1.2
177.00693	2.8
177.02194	1.2
180.01108	1.6
184.03148	0.9
190.98654	1.3
193.00203	0.6
195.11203	2.8
197.02100	1.4
201.12331	0.6
205.00177	1.4
206.02623	3.1
206.52689	0.8
208.99698	1.0
212.03699	0.9
213.03540	1.1
213.05551	0.6
213.06978	5.6
218.07033	0.9
223.01218	2.5
234.99153	0.7
235.01268	1.5
240.13391	3.8
241.11792	1.2
258.11954	0.6
258.14529	4.2
258.18048	0.8
259.07581	3.5
276.07507	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03928	1.3
55.01858	2.9
55.05513	13.2
57.07056	3.3
65.03942	1.1
67.05176	1.7
67.05500	20.8
69.03412	1.9
69.07061	10.6
70.30252	4.8
71.04972	1.2
72.90800	1.0
76.20593	1.0
78.41116	1.0
79.05486	14.9
81.07049	17.2
82.52329	1.0
83.04974	2.8
83.08598	3.7
91.05473	27.4
93.07034	17.4
94.76122	1.1
95.04960	5.2
95.08591	16.3
97.06513	3.1
97.10147	2.4
103.05447	1.9
105.04514	1.1
105.07021	26.7
107.04939	6.2
107.08588	11.5
109.06495	7.1
109.10130	4.5
111.08041	1.4
115.05404	3.3
116.06247	2.6
116.98603	1.6
117.07008	18.3
119.08564	15.1
121.06477	6.7
121.10139	7.2
123.08071	1.7
128.06236	3.9
129.06999	12.7
130.07756	3.3
131.04930	3.1
131.08554	46.0
133.06491	14.4
133.10117	11.4
135.08003	2.7
135.11690	2.9
141.06982	6.5
142.07733	3.5
143.08543	15.3
144.05682	2.9
144.09377	1.9
145.06456	17.7
145.10112	37.5
146.07237	1.7
147.08032	14.5
147.11679	6.9
149.09538	2.1
154.07701	1.5
155.08553	7.2
157.10110	13.6
158.07233	2.7
159.08043	14.7
159.11668	16.3
161.09593	16.4
161.13280	2.1
163.11139	4.4
168.09474	2.1
169.10110	7.8
171.11703	8.0
173.09610	21.4
173.13231	6.5
174.10225	1.3
175.11185	11.0
175.14813	1.7
177.12733	1.7
183.11627	7.9
185.13196	2.2
187.11179	11.9
187.14822	2.4
189.12697	4.3
197.13269	7.6
199.14795	2.8
201.12749	9.0
211.14787	3.2
213.16367	1.2
215.14366	6.4
215.17946	2.0
224.59338	1.1
229.19513	4.3
239.17964	11.8
257.18985	100.0
258.19339	4.8
258.27924	2.3
269.12616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.88295	1.3
52.34250	1.0
53.03930	1.7
55.01854	2.3
55.05510	15.3
55.29121	1.1
56.96552	2.0
57.03424	3.2
57.07054	1.5
57.52597	1.2
65.03931	1.3
67.05502	32.6
69.07056	10.8
70.78941	1.2
71.04990	1.8
79.05482	16.1
79.47192	1.2
80.50719	1.2
81.07055	23.8
83.04964	2.9
83.08601	5.0
83.90990	1.2
85.06566	1.9
91.05479	30.8
93.07037	12.4
95.04972	4.9
95.08603	21.4
97.06511	4.6
97.10154	2.3
103.05442	2.1
105.07028	29.6
107.04965	2.6
107.08588	12.3
109.06487	2.0
109.10128	6.8
111.08104	1.8
115.05450	4.1
116.06219	5.0
117.06222	2.8
117.07011	40.7
119.08564	15.5
121.10133	6.5
123.08068	3.0
128.06187	10.0
129.07027	16.8
130.07806	8.4
131.04842	1.2
131.08556	71.8
132.09027	1.2
133.06483	5.9
133.10117	14.7
135.08025	2.6
135.11642	1.9
137.09616	2.5
141.06964	10.2
142.07755	5.5
143.08560	31.0
144.09306	2.1
145.06493	5.0
145.10118	100.0
146.10477	2.4
147.08018	4.4
147.11702	8.8
149.09645	3.0
149.13165	2.1
154.07785	2.2
155.08517	12.2
156.09309	1.3
157.10135	26.0
158.10860	1.5
159.08049	6.4
159.11688	34.1
161.09596	6.9
161.13290	4.4
163.11165	4.2
167.08675	1.7
168.09338	3.0
169.10124	20.4
171.11679	30.0
173.09610	5.3
173.13257	14.3
175.11180	7.2
175.14902	1.7
181.10088	1.5
182.10904	1.8
183.11700	21.4
185.13205	5.9
187.11209	9.5
187.14760	2.0
189.12801	2.0
197.13245	18.6
199.14813	5.2
201.12720	4.1
211.14816	5.8
213.16379	5.8
215.14345	5.1
215.17914	4.6
229.15898	1.9
229.19518	7.0
229.21655	1.8
239.17937	32.6
240.18243	1.8
244.74678	1.5
257.07840	1.8
257.19006	95.0
258.19379	2.2
277.81430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05502	4.3
57.07060	2.9
58.67839	1.4
62.21394	1.3
67.05510	9.7
69.03455	1.7
69.07064	8.4
70.71200	2.8
71.04984	5.3
72.08137	2.8
79.05486	8.5
81.07056	9.5
83.04974	3.5
83.08596	4.0
85.06528	4.7
87.12247	1.4
91.05465	11.5
92.97451	1.4
93.07037	17.5
95.04957	7.2
95.08607	12.7
97.06560	1.8
99.08092	1.8
103.05454	2.3
105.07028	31.5
107.08588	16.0
109.06518	9.1
109.10160	10.8
111.08066	2.9
115.05463	2.5
117.07004	5.6
119.08584	27.0
121.06483	1.7
121.10139	77.9
122.61846	1.2
123.08052	7.8
123.11697	2.7
124.48697	1.4
128.06207	4.5
129.07011	7.2
130.07832	1.7
131.08560	20.1
133.10126	14.3
135.08052	16.7
135.11679	5.3
135.33041	1.3
137.09634	8.0
141.06949	2.9
142.07773	8.2
143.07462	2.6
143.08556	26.0
144.09340	6.5
145.06488	1.5
145.10115	24.1
147.11650	4.5
149.09581	4.8
151.11183	1.7
153.07043	1.7
155.08577	7.4
156.09294	6.4
157.10127	33.6
158.10846	6.1
159.08098	1.8
159.11685	30.4
160.12132	1.4
161.09592	2.2
161.13281	1.9
163.11140	3.7
167.08536	2.0
168.09355	2.4
169.10115	13.6
170.10912	2.3
171.11678	17.1
172.08755	1.9
173.09613	3.7
173.13251	34.7
174.13959	3.7
175.11156	3.3
175.14793	3.5
176.15245	1.3
177.12785	2.9
181.10150	3.9
182.10866	2.6
183.11664	18.7
184.12415	5.6
185.13263	4.9
187.11203	7.6
187.14778	6.7
189.12723	2.0
195.11740	2.5
197.13275	12.0
199.14813	40.3
201.12729	9.6
209.13347	1.6
211.14709	2.0
213.16364	13.8
214.17043	5.0
215.14342	4.6
215.17914	10.8
224.15691	2.9
227.14249	1.8
239.17911	17.2
257.18997	100.0
258.19452	3.9
258.27878	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	257.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14469	1.4
53.03974	1.8
54.03453	4.3
55.05501	3.1
56.04789	2.2
56.05034	31.5
56.96550	3.1
57.03424	1.6
58.04079	10.7
60.05652	2.0
67.05492	3.7
68.05026	8.0
69.03419	2.0
69.04554	27.2
69.07059	7.3
70.06586	3.5
70.50813	3.3
70.51192	2.4
72.04517	25.9
72.08148	3.7
74.02448	9.0
74.06081	16.4
75.87363	1.8
79.05498	9.8
80.05023	2.5
80.33504	2.0
81.04526	2.8
81.05799	2.9
81.07036	3.2
82.06563	5.0
84.04491	3.3
84.05623	1.6
84.08151	3.8
86.09687	2.2
88.07607	2.7
94.06561	3.7
95.04961	3.6
95.06042	2.9
96.05612	90.6
96.08113	12.9
97.02901	2.0
97.03982	2.1
97.08895	5.7
98.09695	29.9
98.97584	2.5
99.05556	3.2
102.05560	8.1
105.07012	3.2
108.04619	1.6
109.06428	2.2
110.07153	6.5
114.09164	22.1
116.08214	24.8
116.98635	2.7
118.05007	5.6
119.08617	1.9
120.06561	6.2
123.09196	3.3
124.08727	2.2
125.00595	2.7
134.05933	1.8
134.99663	3.9
135.07628	3.8
138.10283	16.3
138.12717	3.9
139.10992	7.3
140.11792	2.4
141.06931	1.6
146.56792	1.6
152.07126	1.8
156.11324	90.2
160.07127	1.9
160.49895	1.5
164.11786	2.0
168.01140	1.8
176.98392	1.9
194.12993	1.7
198.11214	2.8
202.02124	1.7
212.13907	2.6
213.17104	3.8
239.15163	2.5
240.13428	18.2
243.26053	1.7
248.65424	1.5
257.16086	100.0
257.26767	2.3
274.97430	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	257.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
56.05033	27.2
56.96563	10.3
58.04074	8.5
59.98340	2.0
60.05636	2.8
67.05491	3.5
68.05019	7.6
69.04560	19.5
69.07056	7.9
70.06583	7.4
70.85863	6.5
71.08633	3.0
72.04516	16.7
72.08126	3.4
74.02436	8.6
74.06074	20.1
76.86736	2.0
79.05487	7.7
81.03411	3.2
81.04543	2.6
81.07049	2.5
82.06586	3.6
83.08624	2.0
84.04505	7.9
84.08154	2.4
85.02895	3.2
86.09722	4.2
88.07639	3.2
95.04926	3.8
96.05613	78.4
96.08111	10.5
97.08907	5.6
98.09690	23.5
98.97539	3.4
102.05533	5.7
109.06429	2.1
110.07155	8.3
114.09175	22.8
116.08209	18.8
116.98628	3.3
118.04994	7.0
120.06573	4.4
122.07200	2.5
123.04487	2.2
123.09214	4.1
130.05002	3.2
134.99661	2.6
135.07706	3.2
136.07599	2.6
137.88120	2.0
138.10266	19.3
139.11069	5.2
146.01247	2.7
152.07111	2.4
156.11317	81.2
156.12614	4.1
164.02324	7.5
182.03322	3.2
212.14021	3.2
239.15135	3.7
240.13406	18.0
257.16089	100.0
257.26483	3.5
276.07492	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	257.1171
Annotation	4'-Hydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
51.02365	0.5
53.03934	1.4
53.25146	0.3
55.01868	2.1
55.05501	1.3
57.03433	1.8
65.03930	0.5
67.05505	2.9
69.07066	1.8
70.87056	1.1
71.04991	0.4
73.83629	0.3
79.05486	7.8
81.07053	5.4
83.08608	0.6
85.06514	0.4
91.05475	12.0
93.07047	0.9
95.04948	3.0
95.08597	2.7
103.05461	1.4
105.07030	7.9
107.04950	20.6
107.08604	0.9
108.04530	0.3
109.06512	0.9
109.10153	0.7
115.05457	4.5
116.98631	0.4
117.06997	1.2
119.08562	1.0
121.10103	0.6
122.03659	0.9
123.04437	3.4
123.11709	0.4
125.05987	6.3
129.07001	0.8
131.08571	0.8
133.06482	16.9
134.55424	0.3
134.99663	0.4
135.05537	1.7
137.05971	100.0
138.06281	0.7
141.06998	0.5
143.08519	0.5
144.89835	0.3
145.10124	1.1
147.11684	1.0
152.14323	0.4
153.05515	0.5
157.10107	0.9
159.11668	0.8
161.05974	1.4
161.13303	0.4
165.06987	0.3
169.10112	0.6
171.11713	0.5
178.07744	0.4
179.08528	0.6
183.08243	0.4
183.11679	0.9
197.05919	0.5
197.13193	0.4
199.14792	0.8
208.08798	0.4
211.11142	0.4
224.08276	0.5
229.08292	0.5
239.10631	5.4
240.15947	0.5
257.07990	0.4
257.11948	1.1
257.18774	1.2
257.22766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1171
Annotation	7,4'-Dihydroxy-8-methylflavan
Peak:m/z	Relative Intensity
53.03941	1.6
55.01859	1.7
55.05504	0.8
56.96570	1.0
57.03427	0.7
65.03954	0.4
67.05505	2.3
69.03418	1.0
69.07055	0.9
71.04982	0.8
71.56935	0.6
71.75876	0.4
75.50482	0.4
79.05492	7.0
79.12134	0.4
81.03391	0.6
81.07043	2.1
83.04972	1.1
86.14506	0.4
86.36217	0.4
91.05482	13.3
93.07048	2.3
95.04982	3.1
95.08604	4.9
98.97586	1.0
99.04485	0.4
103.05461	1.2
105.07039	7.5
106.22626	0.3
107.04954	19.2
107.08594	1.0
109.06532	1.0
109.10134	2.2
109.34457	0.4
111.04424	0.6
115.05458	4.9
116.98615	0.8
117.06974	1.0
119.04909	0.4
119.08603	4.0
121.10146	0.7
122.03628	1.2
123.04416	3.0
123.08048	0.5
125.06001	6.3
128.06215	0.4
129.06990	0.5
131.08583	0.7
133.06490	16.9
133.10124	0.8
134.99655	1.0
135.05566	2.0
137.05978	100.0
137.09557	4.1
138.06323	0.9
143.08577	0.7
145.10136	0.8
146.99461	0.5
147.04417	0.6
147.07993	0.7
147.11761	0.6
149.09628	0.6
153.05492	0.4
157.10146	0.7
159.11711	0.6
161.06052	1.1
163.18144	0.4
165.09085	1.2
173.13344	0.5
178.07722	0.5
179.07074	0.5
179.08517	0.5
197.13203	0.5
199.14873	1.0
201.09010	0.5
211.11267	0.5
224.08287	0.7
229.08507	0.5
239.10648	5.4
242.10417	0.6
257.04498	1.5
257.08173	1.4
257.11505	0.6
257.19073	1.2
257.22644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03930	1.0
55.05506	0.9
56.96565	0.5
57.03419	0.4
57.07059	0.5
60.22918	0.4
65.03947	0.8
67.05495	1.7
68.99785	1.3
69.07066	0.7
71.57375	0.6
81.03415	8.0
81.07049	1.3
83.64005	0.4
91.05471	8.2
91.06014	0.6
93.07011	1.1
95.04957	1.9
95.08588	1.3
96.02106	0.7
98.97572	0.9
105.07040	1.1
107.04936	1.8
109.02843	0.9
109.10112	1.0
111.04431	1.5
115.05480	0.4
116.98640	1.0
117.03381	4.3
117.07014	1.2
119.04937	16.1
119.08600	0.8
121.10088	0.5
123.04407	3.0
127.03901	1.2
129.06982	0.6
131.08539	2.4
133.10065	0.6
134.99701	0.7
135.04416	0.8
137.02328	100.0
138.02673	0.7
140.06830	0.5
141.06964	1.1
143.08562	1.1
145.10115	3.6
147.04401	34.1
147.11690	0.4
153.06920	0.5
155.03369	2.1
155.08481	0.9
156.09360	0.5
157.10104	1.3
157.89154	0.4
159.11691	1.1
163.03883	2.5
164.23259	0.4
165.06998	2.3
169.06471	0.8
169.10085	0.5
171.07974	0.9
171.11653	0.9
173.05972	0.7
183.08081	1.4
185.13187	0.6
187.07494	1.0
187.14841	0.5
197.06042	0.7
199.14771	0.7
210.06755	0.5
211.07510	5.4
215.06969	0.6
239.07004	5.8
239.17947	1.0
242.05725	2.5
257.08072	70.0
257.18991	2.6
257.22665	1.1
257.26672	0.5
258.08441	1.7
262.23270	0.4
273.28259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.4
56.96561	24.6
57.37967	0.3
65.95822	0.4
69.94562	1.2
69.94964	0.9
71.95266	3.1
78.94256	0.3
89.77728	0.4
98.21390	0.7
98.97576	100.0
99.97903	0.4
116.98611	99.8
119.01907	0.8
130.93288	2.6
134.99649	64.4
137.02977	0.7
140.00169	2.4
142.03549	0.6
148.94354	1.1
153.00693	9.8
154.93237	0.4
158.01236	3.8
163.08655	0.4
172.94337	2.9
176.02206	0.4
177.00946	0.8
180.02611	0.3
190.95369	6.9
208.96455	4.0
214.95457	1.4
216.98714	0.7
219.02049	0.6
220.02077	0.4
230.98682	0.5
232.96465	7.1
234.99808	2.2
250.97472	6.8
251.49246	0.7
255.98094	0.4
256.96368	9.4
258.96466	0.6
274.97488	72.1
275.97781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.01847	1.5
55.05501	5.3
57.03414	1.4
57.07073	2.5
67.05504	7.8
67.94425	1.2
69.03404	2.1
69.07061	6.0
69.93562	7.2
71.04974	2.7
79.05495	6.9
81.07062	5.9
83.04975	2.4
83.08609	1.8
85.06516	1.9
91.05470	12.5
93.07036	21.1
95.04953	4.5
95.08594	5.5
96.43867	1.2
97.06531	8.0
98.98458	31.1
100.98928	1.8
103.05437	2.6
105.07024	17.8
107.04929	2.6
107.08585	10.6
109.06515	11.9
109.10143	3.5
111.08038	1.6
115.05414	1.8
116.99500	1.6
117.07011	4.4
119.08572	16.6
121.06482	1.5
121.10127	5.4
123.08061	3.4
128.06212	4.5
129.06987	4.7
131.04924	8.6
131.08591	6.0
133.06477	10.6
133.10135	7.8
135.08060	14.6
135.11731	1.2
141.06989	8.9
142.07761	8.8
143.08539	18.4
144.09367	1.8
145.10141	6.5
147.11621	1.7
149.09668	2.4
153.07010	2.4
154.07771	4.0
155.08551	15.6
156.09334	10.9
157.10127	19.7
159.11668	6.0
161.05968	1.2
161.09615	2.4
165.07028	4.1
166.07788	1.8
167.08554	15.0
168.09320	3.3
169.10112	30.5
170.10915	7.2
171.08028	1.8
171.11690	17.8
173.09581	3.6
173.13274	2.5
175.11162	1.5
179.08569	3.1
180.09293	3.6
181.10109	9.5
182.10899	24.8
183.11682	10.7
184.05246	1.3
184.12425	1.8
185.09644	2.1
185.13234	10.3
192.09184	1.2
193.10149	3.8
194.10835	3.0
195.11710	13.2
196.12462	7.5
197.13239	80.9
198.13927	4.3
199.11148	12.7
207.11758	8.9
208.12505	3.5
209.13223	4.9
211.11505	1.4
211.14790	35.9
212.15535	13.4
213.12766	4.6
213.16359	35.2
222.14038	11.0
224.08363	1.3
225.12723	2.9
227.14253	2.3
227.17889	2.0
237.16396	18.7
240.14919	2.9
255.06528	3.8
255.10092	8.0
255.17435	100.0
256.17862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03930	2.9
55.01875	2.2
55.05513	11.0
57.03431	3.4
57.07055	2.5
67.05499	14.3
68.21841	1.2
69.03399	3.2
69.07062	7.4
71.04973	1.8
71.30653	2.7
79.05486	15.1
81.03401	2.3
81.07047	14.2
83.04963	4.8
83.08608	4.1
85.06540	2.5
91.05484	16.8
93.07042	12.0
95.04958	4.7
95.08597	9.2
97.02882	1.8
97.06495	1.8
97.10150	3.2
98.98466	25.8
103.05472	4.2
105.07020	18.7
107.04952	19.4
107.08582	5.3
109.06510	1.9
109.10126	2.6
111.04436	3.3
111.08067	1.6
115.05453	4.1
117.07001	11.9
119.08571	8.5
121.06480	3.9
121.10142	2.4
123.04418	2.4
125.09637	2.2
128.06216	30.0
129.07008	28.4
129.73956	1.3
130.07762	1.9
131.04918	47.2
131.08568	17.2
133.06499	5.1
133.10110	5.8
135.08022	2.9
135.11641	3.4
137.05984	5.9
141.06973	13.7
142.07774	11.5
143.08556	100.0
145.06465	7.0
145.10107	17.4
147.08089	1.7
147.11659	2.1
149.05981	2.9
149.09622	2.3
153.06979	5.8
154.07755	6.4
155.08530	14.0
156.09286	3.4
157.06490	4.2
157.10121	38.9
159.08032	4.8
159.11678	10.0
161.05978	12.8
161.09590	3.4
163.11102	1.5
164.67784	1.3
165.06967	9.1
166.07761	3.6
167.08556	13.5
168.09323	2.5
169.10124	35.3
170.10815	2.0
171.08006	4.5
171.11679	25.7
172.19194	1.2
173.09647	5.9
173.13240	2.9
175.11151	3.8
179.08556	3.4
180.09296	6.0
181.06502	1.4
181.10109	18.8
182.10835	4.0
183.11676	11.8
184.08870	1.5
185.09596	4.2
185.13239	9.0
187.11176	4.0
192.06680	1.2
192.79872	1.4
192.86501	1.4
193.10127	1.8
195.08034	4.5
195.09879	2.4
195.11687	44.6
196.12399	2.3
197.13264	5.5
198.40944	1.3
199.07500	1.4
199.11140	9.2
199.14842	4.7
208.12427	2.4
209.13196	8.9
211.14792	9.6
212.08391	2.8
213.12744	7.9
213.16353	2.5
222.13919	2.0
223.07521	2.5
224.08307	2.6
225.05376	1.3
227.10741	2.9
227.14394	1.9
227.17941	7.7
237.16376	41.2
239.07111	1.8
240.07780	2.7
255.06511	3.1
255.10188	35.1
255.17429	89.8
255.21030	9.0
256.10617	1.5
256.17963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
52.09582	1.0
53.03930	1.6
55.01845	1.2
55.05496	4.5
57.03439	1.8
57.07086	1.9
59.04978	1.6
66.48102	0.9
67.05502	6.6
69.03426	1.7
69.07066	6.4
69.42786	9.3
69.53539	1.1
71.04988	2.1
79.05501	8.7
81.07065	6.2
83.04960	2.5
83.08612	2.3
85.06535	2.5
91.05469	7.5
93.07040	9.0
95.04949	4.8
95.08602	6.2
97.06536	3.2
98.98466	20.7
103.05456	2.1
105.07028	12.4
107.04964	4.8
107.08590	7.6
109.06513	4.9
109.10136	2.5
111.08073	1.5
115.05447	2.1
117.06999	2.5
119.08569	13.1
121.06478	1.9
121.10119	3.9
123.04459	1.4
123.08095	1.7
128.06218	4.7
129.06998	5.8
131.04926	14.2
131.08589	7.1
133.06511	2.4
133.10115	8.6
134.59740	1.0
135.08038	3.7
135.11688	5.1
137.06003	1.8
141.06970	4.3
142.07780	9.1
143.08556	14.8
144.09311	1.3
145.10132	7.4
147.11716	2.3
153.07025	2.8
154.07729	1.8
155.05896	1.0
155.08536	12.8
156.09338	15.4
157.10136	20.7
158.10844	1.8
159.08089	1.4
159.11702	5.2
161.05966	3.0
161.09627	5.3
163.11160	1.3
165.07018	3.8
166.07782	2.5
167.08583	9.1
168.09351	2.8
169.10124	18.3
170.10896	5.9
171.11687	29.7
172.12308	1.5
173.09651	2.9
173.13300	5.2
175.11122	2.4
179.08572	2.1
180.09326	4.2
181.10071	7.8
182.10883	14.2
183.11703	14.2
184.12427	2.0
185.09619	5.0
185.13271	9.6
187.11232	2.9
193.10121	4.6
194.10886	2.5
195.08080	1.7
195.11673	13.1
196.12445	6.8
197.09590	3.2
197.13251	50.1
198.13802	2.4
199.11160	16.5
200.11937	1.1
207.11639	11.7
207.13257	1.2
208.12485	4.1
209.13290	4.2
211.11261	2.9
211.14767	14.8
212.12029	1.8
212.15575	13.1
212.62903	1.2
213.12743	9.7
213.16345	23.1
214.13516	2.8
222.14001	7.9
225.12775	6.1
226.13574	1.9
227.14395	1.5
227.17877	2.7
237.16386	17.3
240.07822	1.9
240.15109	5.9
255.10287	9.4
255.17456	100.0
256.17841	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01853	4.9
55.05259	2.8
55.05507	31.8
57.03434	65.3
57.07066	6.9
61.76147	1.9
64.08134	1.8
64.17919	1.6
65.03943	2.9
67.05500	98.1
69.07063	30.7
69.66518	12.4
71.01346	6.7
71.04986	8.5
73.02888	2.1
77.93941	1.8
79.05488	88.2
81.03409	12.4
81.07052	49.4
81.48386	1.8
83.04981	29.9
83.08627	8.9
85.06524	8.3
91.05470	41.0
93.07037	95.6
95.04966	15.5
95.08601	14.4
96.08323	1.8
97.06528	25.2
97.10172	13.7
98.20842	3.5
98.98463	23.4
99.08108	3.1
103.05453	4.7
105.07030	16.0
107.04955	11.5
107.08590	63.8
109.06512	3.6
109.10153	12.3
111.08076	4.8
112.68697	1.8
117.07007	9.9
119.08559	11.6
121.06483	4.5
121.10122	14.0
123.04391	2.9
125.09631	3.7
129.06972	2.2
130.07718	2.4
131.04910	28.3
131.08514	3.2
133.10133	6.7
135.08054	3.1
135.11679	100.0
137.06001	3.3
137.09659	3.5
140.74254	1.7
142.07681	1.7
143.08536	4.2
145.10139	22.1
151.03906	2.4
153.12762	2.7
157.03563	1.8
157.10114	2.9
161.05984	6.4
163.11160	14.5
166.73322	1.7
167.08615	2.7
169.10217	2.0
181.12186	13.3
183.00433	2.1
185.90930	1.8
195.08003	2.3
227.10759	3.6
240.07849	1.8
255.10185	27.3
255.15778	42.4
255.21211	2.6
256.26349	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
53.59070	2.2
55.01864	5.2
55.05506	35.2
56.96537	2.9
57.03438	46.2
57.07062	5.8
60.90844	2.1
62.63997	2.0
65.03928	2.9
67.05507	82.3
69.03401	8.2
69.07067	28.7
71.01342	4.0
71.04975	8.7
71.57660	3.4
79.05489	71.0
81.03397	10.2
81.07056	42.8
81.89510	2.3
83.04986	31.8
83.08607	11.7
85.02915	2.6
85.06531	5.5
91.05476	36.6
93.07041	74.0
95.04962	21.1
95.08620	17.1
97.02902	3.5
97.06527	19.0
97.10161	13.4
98.98465	62.1
99.04441	2.8
99.08071	2.9
103.05463	9.4
105.07018	24.1
107.04959	34.1
107.08590	51.0
109.06516	7.9
109.10148	10.5
111.04415	6.5
111.08057	6.1
111.11734	2.7
115.05428	2.8
117.07000	10.7
119.04947	2.9
119.08574	19.5
121.06464	8.4
121.10127	12.3
123.04399	8.5
125.06039	4.0
125.09608	4.7
128.06201	4.4
129.07001	4.5
131.04927	100.0
131.08582	4.1
132.05428	2.4
133.06473	9.1
133.10097	6.1
135.11688	72.1
137.05978	12.8
137.09612	5.4
143.08556	7.9
145.06482	3.6
145.10115	18.6
147.11661	2.7
149.05977	5.7
149.09526	3.0
153.12703	2.3
155.08517	3.2
156.09290	2.9
157.06525	2.3
157.10143	9.1
158.65582	2.3
159.11693	5.2
161.05971	27.2
163.11174	9.6
165.06973	3.1
167.08568	5.5
169.06525	2.7
169.10123	8.5
171.08034	4.8
171.11668	9.6
171.56837	2.3
179.08612	2.5
181.10117	3.8
181.12154	11.2
183.11816	3.6
184.08876	2.7
185.13245	4.8
195.08073	7.6
197.05991	4.7
197.13188	11.3
207.11722	3.0
209.13268	3.3
213.16431	6.1
223.07510	7.9
224.08324	8.4
227.10646	5.3
239.07016	5.3
240.07774	5.4
255.06390	5.1
255.10175	79.2
255.15869	21.4
255.17813	13.0
255.21178	10.0
256.10608	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77734	2.6
53.03944	5.1
55.01865	4.3
55.05508	40.3
55.17204	2.3
57.03434	55.7
57.07064	8.3
61.22424	2.7
67.05502	100.0
69.03429	4.7
69.07058	28.9
71.01336	3.9
71.04975	8.2
71.57906	3.9
79.05490	85.3
81.03414	14.9
81.07058	41.7
83.04978	28.7
83.08611	11.1
85.06549	3.9
86.06066	4.2
91.05481	36.0
93.07037	94.9
95.04958	16.4
95.08588	18.6
97.02918	3.6
97.06519	26.7
97.10181	18.4
98.98465	79.5
99.08108	3.4
100.07624	4.7
100.98900	3.2
103.05461	4.9
105.07017	21.0
107.04965	13.3
107.08592	59.1
109.06529	3.8
109.10151	11.5
111.04479	4.6
111.08055	3.5
116.99514	4.3
117.07024	6.0
119.08574	12.8
120.70964	2.5
121.06497	4.4
121.10137	12.9
125.09630	4.7
128.06166	3.0
129.06993	3.1
130.07777	3.9
131.04927	34.6
131.08507	3.1
133.10110	6.2
135.11685	95.2
136.12012	3.5
137.05969	5.9
137.09567	6.5
143.08502	3.7
145.10136	15.1
151.03923	6.0
157.90857	2.8
159.11684	6.0
161.05959	6.4
163.11188	8.7
171.08089	2.7
171.11671	4.4
181.12242	16.3
185.13179	3.7
195.08194	3.2
197.13310	4.0
227.10609	4.2
255.10152	27.5
255.15700	35.4
255.21027	12.8
255.25105	22.9
256.26227	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01859	2.5
55.05513	11.8
57.03437	16.7
57.07060	1.8
65.03927	2.4
67.05504	29.5
69.03429	7.9
69.06718	0.9
69.07065	8.3
69.79093	4.8
71.01357	2.0
71.04989	2.8
71.07639	0.7
73.02951	0.7
78.93990	0.7
79.05494	24.5
81.03414	9.1
81.07050	11.4
83.04981	15.7
83.08607	1.6
85.02885	1.4
85.06547	1.6
91.04961	1.2
91.05480	12.2
93.06475	1.4
93.07042	25.5
95.04967	8.0
95.08589	3.8
97.02863	1.9
97.06529	6.1
97.10159	3.9
98.98466	5.9
99.04442	1.7
99.08059	1.1
101.05973	0.8
103.05459	4.0
105.07033	4.4
107.04949	4.4
107.08595	15.8
108.02109	2.8
109.02880	1.0
109.06489	1.3
109.10159	2.9
111.04447	14.7
111.08031	1.0
116.08462	0.8
117.07014	2.4
119.08543	3.4
121.02825	0.9
121.06502	2.0
121.10139	3.5
123.04418	2.1
125.09604	1.2
127.03103	0.8
127.03881	4.0
131.04916	11.0
133.10159	1.0
135.11694	26.0
137.05965	2.0
143.08611	1.2
145.10141	6.2
151.03902	100.0
152.04221	1.3
153.12747	0.9
154.02628	1.0
161.06018	3.5
163.11188	3.5
171.11609	1.0
181.12195	4.2
199.14801	0.7
202.01694	0.7
210.39566	0.6
221.50554	0.7
240.07809	1.9
255.10268	22.3
255.15804	9.9
255.21167	1.2
256.26407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58062	1.5
53.03943	5.8
55.01863	5.9
55.05511	32.6
56.96577	1.8
57.03152	2.9
57.03436	59.3
57.07065	4.3
57.39795	1.7
64.33306	1.5
67.05502	99.6
69.03428	3.6
69.06721	2.5
69.07069	29.0
70.07223	8.5
71.01340	6.1
71.05004	8.4
71.79664	1.6
79.05493	93.7
81.03415	12.6
81.07056	54.5
83.04980	27.6
83.08631	8.7
85.06542	6.9
86.51401	1.5
91.05473	43.4
92.89189	2.0
93.07042	100.0
94.07372	1.7
95.04965	18.5
95.08605	15.0
97.06532	27.5
97.10169	19.1
98.21414	1.8
98.98470	29.6
99.04487	2.0
99.08067	4.6
103.05460	1.9
105.04536	2.0
105.07053	11.2
107.04956	8.5
107.08591	59.7
108.08915	1.8
109.06519	2.5
109.10143	10.5
111.08088	3.7
115.05480	2.9
117.06979	9.2
119.08588	11.3
121.06519	4.2
121.10119	14.6
121.43983	1.6
125.09647	4.6
129.06978	3.7
130.07799	1.5
131.04939	14.4
131.08575	1.7
133.10165	8.0
135.08047	2.4
135.11685	98.3
137.06033	2.1
137.09589	3.4
143.08481	3.7
144.37749	1.9
145.10127	15.1
157.10146	4.3
161.06007	3.6
163.11147	10.8
171.11703	3.1
173.13249	1.7
181.09979	1.8
181.12218	11.2
195.11757	3.0
206.17484	1.6
214.06662	1.7
237.16391	4.0
255.10179	13.1
255.15739	37.7
255.21124	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
53.59070	2.2
55.01864	5.2
55.05506	35.2
56.96537	2.9
57.03438	46.2
57.07062	5.8
60.90844	2.1
62.63997	2.0
65.03928	2.9
67.05507	82.3
69.03401	8.2
69.07067	28.7
71.01342	4.0
71.04975	8.7
71.57660	3.4
79.05489	71.0
81.03397	10.2
81.07056	42.8
81.89510	2.3
83.04986	31.8
83.08607	11.7
85.02915	2.6
85.06531	5.5
91.05476	36.6
93.07041	74.0
95.04962	21.1
95.08620	17.1
97.02902	3.5
97.06527	19.0
97.10161	13.4
98.98465	62.1
99.04441	2.8
99.08071	2.9
103.05463	9.4
105.07018	24.1
107.04959	34.1
107.08590	51.0
109.06516	7.9
109.10148	10.5
111.04415	6.5
111.08057	6.1
111.11734	2.7
115.05428	2.8
117.07000	10.7
119.04947	2.9
119.08574	19.5
121.06464	8.4
121.10127	12.3
123.04399	8.5
125.06039	4.0
125.09608	4.7
128.06201	4.4
129.07001	4.5
131.04927	100.0
131.08582	4.1
132.05428	2.4
133.06473	9.1
133.10097	6.1
135.11688	72.1
137.05978	12.8
137.09612	5.4
143.08556	7.9
145.06482	3.6
145.10115	18.6
147.11661	2.7
149.05977	5.7
149.09526	3.0
153.12703	2.3
155.08517	3.2
156.09290	2.9
157.06525	2.3
157.10143	9.1
158.65582	2.3
159.11693	5.2
161.05971	27.2
163.11174	9.6
165.06973	3.1
167.08568	5.5
169.06525	2.7
169.10123	8.5
171.08034	4.8
171.11668	9.6
171.56837	2.3
179.08612	2.5
181.10117	3.8
181.12154	11.2
183.11816	3.6
184.08876	2.7
185.13245	4.8
195.08073	7.6
197.05991	4.7
197.13188	11.3
207.11722	3.0
209.13268	3.3
213.16431	6.1
223.07510	7.9
224.08324	8.4
227.10646	5.3
239.07016	5.3
240.07774	5.4
255.06390	5.1
255.10175	79.2
255.15869	21.4
255.17813	13.0
255.21178	10.0
256.10608	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01858	5.6
55.05510	37.0
57.03435	60.6
57.07060	5.1
58.35690	1.2
65.03927	2.4
67.05505	98.6
69.03438	2.2
69.06722	2.4
69.07066	30.3
69.99920	3.6
70.00334	5.1
71.01349	4.9
71.04993	10.3
79.05493	88.0
81.03410	14.5
81.07054	45.4
83.04980	34.3
83.08615	8.6
85.06537	6.1
91.05478	36.7
93.07043	94.7
95.04980	14.8
95.08607	17.0
96.47227	1.3
97.06526	23.9
97.10171	16.0
98.21387	1.8
98.98448	16.6
99.08100	5.2
100.98835	1.4
103.05501	1.8
105.04475	2.3
105.07015	10.0
107.04950	4.5
107.08590	58.8
109.06538	2.3
109.10159	10.6
111.04446	1.6
111.08069	5.5
117.07027	12.5
119.08567	12.9
121.06501	3.2
121.10126	15.4
125.09627	3.4
128.06299	2.3
129.06993	2.6
130.07828	2.0
131.04945	11.1
133.10138	6.9
135.08066	2.0
135.11688	100.0
136.12033	3.1
137.05986	1.7
137.09604	4.5
137.25374	1.4
143.08591	4.8
145.10107	20.6
147.11627	1.6
153.12732	3.7
157.10167	4.4
161.05972	3.4
163.11166	12.0
167.08594	1.7
171.11682	3.4
181.10864	1.5
181.12242	11.9
199.13106	1.5
212.60799	1.9
237.16324	1.4
255.10257	7.8
255.15797	43.4
255.21184	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	255.1013
Annotation	5-Methoxyflavanone
Peak:m/z	Relative Intensity
50.64325	0.3
51.76827	0.3
55.01859	0.4
55.05513	0.5
56.25063	0.3
57.03416	0.7
58.91550	0.2
64.79513	0.3
65.03941	1.9
67.05506	2.0
68.99789	1.8
69.07072	0.4
70.06786	1.1
79.05490	1.0
81.03419	0.5
81.07051	0.7
83.04964	0.5
89.31498	0.2
91.05480	0.8
93.07047	1.4
95.04958	1.7
98.98467	1.6
103.05460	2.8
105.03333	0.3
105.07011	0.8
107.04934	1.5
107.08588	0.5
108.02087	4.3
111.04438	1.4
118.85249	0.3
121.02838	0.9
121.10090	0.4
123.04433	0.8
131.04915	5.5
135.11674	1.3
136.01529	0.3
137.06006	0.4
149.05989	0.3
151.03894	100.0
152.04257	1.4
154.02580	1.8
161.06021	0.8
195.08081	0.5
224.08235	0.4
225.05486	0.4
227.10725	0.3
237.09204	0.4
240.07823	2.1
255.10144	21.4
256.10501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01860	2.2
55.05492	2.9
56.05026	1.4
56.96551	2.0
57.03420	1.9
58.04077	10.9
60.05631	2.3
61.33167	0.8
65.03930	0.8
67.05507	6.2
68.05018	10.6
69.07059	7.2
70.06586	2.1
71.56688	1.5
72.04511	8.1
72.05619	2.3
72.08131	1.9
74.06074	42.0
75.04473	1.2
76.05126	4.8
79.05487	7.6
80.05006	5.4
81.03384	2.0
81.05779	2.3
81.07056	6.4
83.04948	1.7
83.08640	0.9
84.08128	1.0
85.02874	1.2
86.09684	1.0
88.03975	1.0
91.05489	4.2
93.05774	6.2
93.07027	3.3
94.06561	7.1
95.04965	5.0
95.07327	1.5
95.08591	2.0
96.04462	2.4
96.08120	30.4
97.06513	1.6
98.97589	1.5
98.97728	1.2
98.98456	27.2
99.05556	1.2
100.98862	1.5
103.05447	2.6
105.07030	1.8
106.06610	1.6
107.04970	1.4
107.07305	2.8
107.08585	2.5
108.08105	23.1
109.06461	1.8
109.08897	1.8
109.10114	1.0
110.03646	1.4
110.07133	1.4
110.09689	8.7
116.08202	100.0
116.98633	2.8
116.99447	1.5
117.07006	1.1
117.08596	1.1
118.05006	5.0
119.04903	1.3
119.08568	2.0
120.08097	2.4
121.06483	2.2
121.10135	2.3
122.09647	3.0
123.04399	2.2
123.05541	1.1
124.07580	68.6
124.11204	1.6
125.07928	0.8
131.04913	5.3
133.06482	1.0
134.09639	5.5
134.99608	1.5
135.04411	1.1
135.08022	1.5
136.09019	0.8
136.11203	24.2
137.05952	3.2
138.06732	1.1
138.09207	0.9
147.08046	1.0
149.13222	0.8
151.07529	1.2
152.07068	1.2
152.10687	4.7
154.12265	1.7
160.07175	7.6
163.07501	2.9
166.06226	2.1
167.06979	1.1
168.06552	3.6
169.13333	1.3
180.10202	2.2
181.08501	1.1
191.07036	1.4
196.09662	5.0
209.06163	1.0
209.08054	0.9
211.15605	4.5
219.06412	0.9
237.07516	2.3
255.14433	8.3
256.18958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05489	1.3
55.94761	0.6
56.96563	5.5
57.03437	4.2
57.07071	0.8
59.05010	0.8
61.02916	1.8
69.03428	3.4
69.07048	0.8
71.01343	1.1
71.04971	1.9
71.56199	1.0
73.02927	3.7
73.80042	0.6
74.69651	0.6
78.03415	1.6
78.35077	0.6
79.05524	0.7
80.05019	3.1
81.07050	0.7
83.05009	0.8
83.06081	1.1
84.96043	0.7
85.02905	6.1
95.05005	0.7
95.08630	0.7
96.04478	1.1
97.02883	2.3
98.97559	1.4
98.98463	15.9
103.03946	0.7
104.12957	0.7
106.02907	6.1
109.10083	0.7
110.07153	8.0
114.05572	0.8
115.02458	0.8
115.03937	2.1
116.98592	1.7
116.99487	1.4
117.03978	1.2
118.03487	0.6
119.01913	4.8
123.05548	100.0
124.03950	5.0
124.05888	1.5
127.03864	0.8
128.98616	1.1
131.01877	1.5
133.03448	1.6
133.04927	2.9
134.99675	1.4
135.05031	1.7
137.02953	1.7
142.03479	1.2
144.99808	5.8
145.03471	2.4
146.03008	0.8
146.99609	1.2
155.08226	1.2
156.07680	2.6
158.06653	0.8
158.99677	0.7
159.01338	0.6
161.02960	1.4
163.00873	2.4
163.04541	1.3
167.24973	0.7
168.04968	1.0
171.01367	1.1
172.99307	1.2
174.73061	0.7
174.95908	0.7
176.98790	0.6
177.00772	1.3
177.02443	1.3
179.02158	0.7
184.04559	1.1
185.03067	0.7
188.96921	0.9
189.02423	1.1
190.98747	1.1
191.00414	1.5
191.05772	0.8
205.02011	1.0
210.02559	0.9
212.04053	0.8
212.99052	0.7
233.01759	0.7
237.07635	0.8
245.05132	0.7
251.02571	2.0
255.14360	1.0
256.03046	0.7
274.04050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03447	3.1
61.02920	0.9
69.03416	1.6
70.03291	1.8
70.03709	0.9
71.01346	1.3
73.02923	2.8
78.03433	1.4
79.72657	0.6
80.05005	3.4
85.02896	2.2
87.54299	0.5
87.54903	0.5
90.75374	0.4
96.04479	1.0
97.02883	1.4
98.20797	0.5
106.02915	7.5
110.07134	1.3
115.03903	1.4
123.05547	100.0
124.03967	1.6
124.05923	1.2
133.04985	2.1
144.56660	0.6
199.52353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0862
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
53.03937	3.1
55.01870	8.7
55.05507	9.2
55.68122	1.7
56.96543	7.0
57.03430	16.2
57.07069	2.2
65.03928	1.8
67.05506	8.0
68.05003	1.9
68.99770	2.7
69.03436	2.3
69.07061	4.4
70.06590	1.9
71.04976	7.0
71.55882	1.9
72.08131	6.0
73.02900	2.0
79.05495	14.4
81.03429	3.7
81.07053	11.5
83.01350	2.5
83.04958	11.1
83.08618	3.4
84.08124	3.5
84.96017	1.7
85.02903	10.5
91.05465	16.4
93.07028	7.2
95.01279	3.1
95.04959	9.5
95.08592	4.3
97.02882	2.8
97.10173	2.1
98.97540	2.6
98.97723	2.7
98.98455	54.5
99.04457	2.3
100.98879	3.9
103.05432	3.2
105.07003	7.7
107.04919	9.9
107.08576	6.1
109.02860	2.7
109.06506	9.0
110.07143	1.7
110.13152	1.6
111.04436	5.0
111.05566	1.9
114.15926	1.8
115.05449	6.7
116.98599	6.2
116.99463	3.1
117.07034	11.4
119.04884	2.0
119.08574	3.2
121.02844	3.4
121.06432	5.0
123.00797	3.2
123.04403	2.4
123.05527	5.3
123.08047	3.2
125.02380	2.0
125.05898	1.8
128.98660	2.8
129.07036	2.6
133.06477	5.0
134.99629	5.7
135.04373	11.3
135.08047	8.1
137.05980	15.3
140.11807	7.1
145.06476	8.3
147.04408	2.6
147.08032	3.3
149.05980	4.0
151.04007	2.2
161.05952	2.7
163.03876	4.0
163.07532	29.8
165.05461	13.3
165.09138	1.7
167.07036	5.1
173.06006	2.9
177.00699	2.3
177.05478	11.2
178.33287	1.9
179.07028	3.2
181.04968	6.4
183.06573	2.9
189.05437	2.9
189.56514	1.9
191.07039	76.2
192.07304	2.2
193.05070	1.8
193.08556	2.8
195.06511	2.4
201.05473	5.3
209.08052	6.3
215.05840	2.0
219.06516	46.7
237.07542	100.0
238.07825	3.0
255.08519	12.6
255.14392	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	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21457	0.4
50.67420	0.4
55.05510	2.1
57.03415	0.4
58.02942	1.0
60.04509	0.5
62.51949	0.3
67.05489	1.6
68.04996	0.5
69.07051	1.7
69.99125	0.4
70.06541	0.5
71.04994	0.5
71.56522	0.5
74.02449	0.4
79.05497	3.2
80.05003	0.7
81.03414	0.6
81.07049	2.4
82.06572	0.7
83.04976	0.9
83.08606	0.9
84.08138	0.4
86.02383	0.4
86.06080	0.5
88.03965	1.8
91.05460	1.2
93.07045	5.1
94.06561	1.2
95.04962	0.5
95.08584	1.5
96.08101	0.8
97.06532	0.4
98.97858	0.6
98.98470	6.8
105.07003	1.3
107.08579	2.7
108.08124	3.7
109.10141	1.0
110.09673	1.3
110.27853	0.4
111.04419	0.4
114.05528	0.5
116.99467	0.5
117.95139	0.4
119.08582	0.6
120.08082	0.5
121.06472	0.7
121.10126	0.6
122.09655	6.3
123.10416	0.7
126.05480	0.8
128.07059	0.7
133.10110	0.5
135.11697	3.4
136.11212	3.0
137.13188	0.6
138.05504	1.6
140.07036	0.7
142.08621	1.3
150.12785	3.8
151.13551	3.3
152.07076	0.9
153.07861	0.9
153.12770	0.4
154.08604	1.2
156.06580	0.4
156.10158	1.1
161.46172	0.4
164.14346	6.6
166.08638	2.3
166.15990	0.5
168.10188	2.4
180.06496	0.4
180.10190	3.6
181.10968	1.4
182.11775	1.4
192.13857	0.4
208.13228	2.7
210.14879	100.0
211.15257	1.7
212.16457	6.1
236.12950	0.4
254.17499	31.2
255.17767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.9
55.05504	1.1
56.96549	1.4
57.03415	3.9
57.03669	0.8
61.02917	1.9
68.42029	1.0
69.03414	2.7
69.49110	6.8
69.49534	1.5
71.01357	1.1
71.04993	1.1
72.08134	1.1
73.02898	2.5
74.10603	0.8
78.03448	1.1
80.05000	4.3
81.06992	1.0
83.04969	1.3
85.02908	4.8
87.49532	1.0
96.04480	2.1
97.02855	1.3
98.21453	1.8
98.97569	2.0
98.98469	8.5
106.02924	7.6
110.07164	8.2
115.03896	2.4
116.98614	1.3
117.53310	0.8
123.05547	100.0
133.04991	2.2
138.22639	1.0
156.07611	1.2
177.00565	1.1
189.06868	0.9
191.05673	1.1
217.04008	0.9
237.13387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
55.05507	53.4
57.03418	3.0
57.07074	14.0
59.52955	1.3
67.05499	46.4
69.03401	1.8
69.07063	71.7
70.48571	4.0
71.04993	11.0
71.08614	4.2
76.75754	1.3
79.05485	22.0
81.07050	69.4
83.04964	5.9
83.08611	47.7
85.06541	7.5
91.05475	21.9
93.06471	2.7
93.07036	32.3
95.04974	3.5
95.08599	62.0
97.06525	10.9
97.10156	32.4
98.98461	100.0
99.04465	1.8
99.08073	4.2
101.06006	1.5
105.07027	19.1
107.08585	31.9
109.06503	4.7
109.10150	28.4
109.10837	2.6
111.08086	6.6
111.11707	11.1
113.09647	2.5
116.99480	4.8
117.06960	1.5
119.08570	23.4
121.10129	28.3
123.08090	3.6
123.11695	13.7
125.09650	5.6
125.13238	2.4
127.07559	1.3
133.10129	19.8
135.08052	16.7
135.11674	24.2
137.09631	4.4
137.13261	7.5
139.11168	7.3
139.30817	1.3
140.00966	1.5
147.11668	13.3
149.13249	4.9
151.07500	1.8
151.11172	5.8
151.14836	3.2
153.12730	5.1
158.58904	1.6
160.42154	1.3
161.13242	12.6
163.14853	2.1
165.12723	6.1
174.99188	1.6
175.14792	6.1
176.98964	1.8
177.16376	2.0
179.14355	3.4
189.16367	2.3
191.18002	1.9
193.19531	4.3
197.11688	1.8
197.13370	1.8
217.19501	22.6
225.06967	1.7
235.20566	12.3
239.22556	1.5
253.08463	1.8
253.19518	2.2
253.21681	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43294	4.5
54.90149	4.1
55.05501	6.0
56.05016	3.9
56.34016	3.9
56.96552	13.4
60.04521	36.7
61.02911	11.6
66.92899	4.2
67.05499	6.6
69.03410	7.1
69.07041	4.2
69.22649	46.8
70.06586	6.8
71.01331	11.7
71.04965	4.7
75.04459	13.7
77.18277	4.3
79.05478	4.7
81.07047	3.5
87.04417	4.6
95.04925	5.1
95.08552	4.4
98.97578	7.9
98.97707	8.0
98.98459	100.0
103.03939	17.6
105.07030	5.6
110.07147	12.9
111.05577	4.2
116.98643	4.8
116.99461	7.2
120.08081	31.1
121.08437	46.3
131.03426	7.2
134.99626	5.7
152.05635	9.2
159.02895	53.3
166.08728	13.6
167.08958	26.9
177.00650	4.1
181.13405	5.1
187.02327	5.1
206.54042	4.5
219.04962	69.9
254.12415	13.2
254.15047	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	254.1022
Annotation	CJ 14897
Peak:m/z	Relative Intensity
53.03931	1.2
53.97048	0.9
55.01851	0.9
56.96553	3.0
57.03421	1.8
60.93056	0.9
67.05497	1.2
69.03419	1.3
70.06595	1.2
70.87117	2.1
79.05488	18.0
80.05008	4.4
81.07056	2.7
85.02878	0.9
91.05479	2.1
93.05774	7.2
93.07043	1.6
94.06556	1.4
95.04963	1.8
96.04483	1.8
96.08129	3.0
97.02890	1.0
98.97527	1.1
98.98462	21.5
105.06982	1.8
106.06533	12.8
108.08124	8.5
110.07162	1.4
116.98615	1.3
118.06557	1.8
120.08083	1.7
121.05244	1.1
122.06052	1.5
124.03994	1.1
124.07584	12.9
124.08501	1.3
128.94328	0.9
133.05243	3.3
134.06023	12.6
134.09604	2.1
134.99605	1.4
136.07547	8.8
138.09082	1.3
144.08060	1.9
146.09608	2.0
148.07556	3.3
152.07060	1.7
160.07524	1.0
161.08411	1.6
162.05484	8.2
162.09126	6.2
164.07037	6.8
164.10712	5.9
164.70374	0.9
174.09238	1.4
176.07062	2.9
178.05017	2.0
180.06546	100.0
181.06866	1.3
190.08591	7.7
192.06538	1.7
192.10239	1.5
194.08102	2.9
206.08090	6.6
208.09676	3.2
217.22804	0.8
218.08206	3.6
236.09212	7.8
236.12895	1.8
250.49811	0.9
254.10229	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	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.01864	0.8
55.05508	8.9
56.96550	2.5
57.03420	1.7
57.07068	4.3
67.05501	12.3
69.03435	1.4
69.07063	13.1
71.04996	1.6
71.08638	0.6
71.57696	0.7
79.05489	6.8
81.07053	15.5
83.04975	0.8
83.08613	7.9
85.06543	1.5
91.05486	5.5
93.07041	8.1
95.04939	1.1
95.08604	14.7
97.02867	0.9
97.06524	2.4
97.10172	5.3
98.98461	100.0
99.08113	1.4
100.98890	1.1
105.07020	4.4
107.04965	0.7
107.08584	5.2
109.06507	1.1
109.10149	7.1
111.08078	1.8
111.11741	1.5
116.99490	5.4
119.08603	3.6
121.10144	6.5
123.08057	0.8
123.11703	2.4
125.09659	1.4
128.29817	0.9
133.10133	5.0
135.11685	4.6
137.09700	1.0
137.13257	1.6
139.11168	1.2
140.01077	1.8
141.05484	1.5
141.06947	0.6
147.11707	2.9
149.13277	1.6
151.11235	1.3
155.08646	1.0
161.13286	2.2
165.12747	0.8
169.10173	0.6
174.99242	1.3
175.14774	1.1
176.98972	1.1
181.06458	0.8
183.11696	1.1
193.12355	0.6
197.11681	1.6
210.06772	6.8
211.14751	0.7
217.19528	4.1
235.13116	0.8
235.16881	0.6
235.20570	2.6
238.06224	4.0
241.76688	0.6
253.08600	18.3
253.10980	1.3
253.14102	1.1
253.16138	0.7
253.19434	2.2
253.21532	2.8
254.08777	0.7
267.72836	0.7
271.06299	0.6
271.12186	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	253.2162
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
55.05509	22.5
57.03443	1.8
57.07076	6.8
67.05502	25.2
68.46857	0.7
69.03432	1.7
69.07066	30.8
69.22926	0.8
69.23271	9.8
71.04990	3.7
71.08611	2.0
78.90756	0.7
79.05489	12.1
81.07051	35.9
83.04983	2.1
83.08144	1.5
83.08615	20.3
85.06558	4.4
85.10186	1.2
91.05481	8.7
93.07042	16.4
95.04951	1.7
95.08603	31.1
97.06546	4.8
97.10165	15.3
98.98463	100.0
99.08099	3.1
100.98868	2.0
105.07029	9.1
107.08596	10.6
109.02856	0.8
109.06505	1.7
109.10153	13.9
111.08115	4.4
111.11726	4.6
113.09624	1.6
116.98776	0.7
116.99498	5.2
117.06952	0.8
117.80415	0.7
119.08575	8.7
119.99120	0.8
121.09324	1.3
121.10139	14.5
123.08069	2.8
123.11715	5.0
125.09614	2.4
125.13288	1.0
131.08592	0.9
133.10123	10.4
135.11687	12.8
137.05812	1.0
137.09605	3.4
137.13249	3.1
139.11179	2.5
140.01021	1.1
141.05443	0.9
147.11668	7.2
149.13280	2.5
151.11198	3.4
151.14809	2.7
153.12766	2.4
155.08588	1.4
161.13261	6.6
165.07014	1.3
165.12759	2.2
169.10103	1.2
174.99274	0.9
175.14816	2.6
175.42534	0.7
176.98943	1.7
179.10643	1.3
179.14305	1.9
183.11671	1.4
189.16344	1.0
193.19511	2.5
197.11768	2.1
217.19492	12.9
225.12917	0.9
235.20515	7.4
253.08591	1.2
253.12317	1.1
253.19469	2.5
253.21672	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	253.216
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.01860	1.1
55.05509	27.0
57.03425	2.5
57.07083	5.6
65.03928	1.6
67.05501	26.5
69.03410	2.2
69.07066	33.8
71.04990	3.4
71.08604	1.8
71.57614	1.6
73.06573	1.0
79.05488	12.7
79.86419	1.1
80.37466	1.1
81.03421	1.5
81.07051	42.2
83.04961	1.3
83.08611	23.2
85.06540	4.3
85.10146	1.7
91.05473	10.6
93.07043	15.9
95.04973	1.7
95.08599	32.6
97.02911	1.4
97.06538	6.9
97.10162	15.6
98.98460	100.0
99.04421	1.6
99.08096	3.2
100.98849	1.1
105.07021	10.5
107.08576	9.0
107.82757	1.1
109.02843	1.6
109.06505	2.5
109.10145	14.8
111.08089	3.7
111.11705	5.5
116.99504	4.9
119.08581	8.6
121.10127	12.8
123.08070	2.4
123.11697	8.9
125.09627	2.8
125.13280	1.5
127.03899	1.0
133.10124	11.7
135.11699	13.9
137.09634	2.9
137.13220	3.4
139.07564	0.9
139.11172	3.1
141.05492	1.2
147.11682	7.3
149.13248	2.1
151.11176	3.6
151.14809	1.9
153.12697	1.7
153.49632	1.0
161.13246	6.0
163.14815	1.0
165.06947	1.2
165.12770	2.0
169.10110	1.1
175.14827	2.2
183.11630	1.0
183.52591	1.0
189.16386	1.2
193.15874	1.5
193.19521	3.2
197.11649	2.2
217.19485	11.6
235.20486	6.4
242.89188	1.1
253.08644	1.2
253.12291	1.4
253.15964	1.4
253.19499	2.5
253.21649	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01859	4.7
55.05506	7.3
55.22810	1.1
57.07071	2.0
60.04523	2.0
65.03937	1.6
65.16577	1.2
67.05502	17.5
69.03428	4.5
69.07063	5.3
70.84588	1.2
71.04984	10.3
71.57693	2.4
72.04532	1.5
78.03999	1.1
79.05491	26.2
81.03435	2.3
81.07054	50.5
83.04975	5.1
83.08608	3.8
85.06544	5.0
91.05479	26.8
93.07037	39.8
93.07632	1.9
95.04960	16.0
95.08602	19.0
97.02866	1.4
97.06527	14.3
98.98460	78.6
99.04444	6.2
100.11244	1.7
100.98826	1.3
103.05475	1.4
105.04478	1.4
105.07021	29.0
107.04935	6.8
107.08587	21.8
109.06505	30.9
109.10160	4.8
111.04463	1.7
111.08061	6.0
113.06001	4.2
115.05407	1.5
116.99516	2.6
117.07027	2.6
119.04929	2.1
119.08585	17.0
121.06496	100.0
121.10107	3.7
123.04430	5.1
123.08064	5.8
125.05997	3.4
127.07561	13.8
128.06169	2.0
129.07005	5.5
131.08592	5.7
133.06485	3.7
133.10126	17.2
135.04427	5.3
135.08054	9.9
135.11658	1.5
137.05949	4.0
139.07526	23.4
141.05472	3.9
141.06987	2.4
142.07759	5.7
143.08553	9.7
145.06493	2.3
145.10106	8.2
147.08025	7.0
147.11678	29.3
149.13217	1.8
151.07532	1.9
155.08542	2.0
156.09354	5.6
157.08727	2.7
157.10133	13.7
159.07948	1.5
161.09647	5.2
161.13275	12.4
165.06979	2.3
165.12746	4.9
166.07774	4.0
171.08066	2.3
171.11671	14.7
173.09612	1.7
173.13231	2.2
175.07518	1.3
175.11165	18.2
175.34361	1.2
181.10114	8.4
184.08850	2.6
189.12718	22.9
193.12234	21.8
197.11746	2.7
199.11160	33.1
207.13773	7.9
209.75581	1.5
217.12228	71.9
221.63823	2.6
235.13287	25.1
253.14290	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	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.10338	0.5
53.41624	0.4
55.05495	0.6
56.96555	0.9
57.07070	1.3
60.04525	60.5
64.33543	0.5
69.03423	0.6
70.02928	1.0
70.67142	1.8
79.05510	0.9
81.07061	0.6
84.04537	0.5
84.62569	0.5
87.05596	2.1
93.07069	1.0
95.08572	1.0
98.98466	67.1
100.98905	0.5
103.05459	4.4
105.07041	0.7
107.04971	2.0
109.10159	0.6
113.97389	0.5
116.99495	3.6
117.07040	0.6
120.08105	100.0
121.08423	1.5
131.04904	3.5
133.06450	0.6
136.07602	0.7
140.01041	0.7
141.05450	1.1
144.08080	3.1
149.05994	1.5
162.09076	2.5
166.08640	55.4
167.09041	1.1
174.99263	0.8
176.98940	0.6
189.10161	0.7
197.11790	1.9
207.11266	13.3
219.04984	0.7
234.82246	0.5
235.10803	2.7
253.11806	5.7
253.14119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05508	1.0
56.05063	0.5
56.96553	0.9
57.07066	1.9
60.04527	1.0
65.03933	0.8
67.05502	5.5
69.03426	1.1
69.07058	0.9
70.02925	0.4
70.06577	0.8
70.89104	1.0
70.89449	0.6
71.78645	0.4
72.08153	0.5
72.15280	0.5
74.02441	1.2
79.05492	2.0
81.03385	0.5
81.07048	2.0
81.69167	0.5
89.07142	0.4
91.05475	1.6
93.07068	0.6
94.06567	12.6
95.04948	1.6
95.08604	1.8
96.04482	0.9
97.02924	0.7
98.98462	100.0
100.98892	1.1
103.05457	0.6
106.06540	5.4
110.06093	0.7
110.07169	0.5
116.98664	0.8
116.99487	6.3
118.06563	0.5
119.04922	2.0
120.04384	0.6
120.08090	2.5
122.06022	9.3
123.04413	0.6
134.06029	3.8
136.03912	0.6
136.06100	0.5
136.07581	6.1
138.05507	0.6
140.01062	1.3
141.05420	1.2
146.05998	5.0
147.04401	0.6
148.03876	0.8
149.07018	0.8
150.05496	65.6
151.05885	0.7
152.07013	0.7
161.04813	0.5
161.07098	1.2
162.05505	8.3
164.03418	2.9
164.06981	0.6
165.05444	1.1
165.06841	0.9
166.08636	1.4
168.06557	4.9
172.03923	0.6
173.07077	1.0
174.99202	1.1
176.98912	1.9
180.06465	0.9
182.08110	4.3
189.06636	1.7
190.05048	2.3
190.07695	0.9
191.08519	4.1
193.06079	0.5
194.04446	0.6
197.11737	2.4
207.07680	4.2
207.11288	0.6
217.08833	0.6
218.04442	0.5
219.08072	2.6
220.08347	0.8
223.20158	0.6
235.07149	0.6
236.05482	0.5
253.08263	2.6
253.13472	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	253.0817
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
56.05021	0.8
56.96559	0.8
57.07071	1.4
60.04523	0.7
63.10665	0.5
66.20375	0.5
67.05492	1.5
69.03420	0.9
69.07068	1.0
71.55917	0.6
74.02423	1.8
79.05484	1.2
81.03425	0.6
81.07046	1.9
81.13507	0.5
84.04494	0.6
91.05466	1.4
94.06558	1.5
95.08604	0.6
96.04502	0.8
97.02880	1.1
97.06451	0.4
98.09575	0.5
98.98460	100.0
100.98885	1.3
106.06551	2.2
107.04917	0.7
107.85066	0.5
108.04470	0.7
109.10172	0.5
110.06033	2.2
111.04434	0.7
116.99496	5.5
118.06536	1.9
119.04955	0.9
119.06001	0.5
120.04459	1.1
120.08068	0.9
122.06036	1.2
123.04458	0.5
123.11712	0.5
124.07668	0.6
124.41896	0.5
126.05505	0.5
130.08075	0.5
132.04482	0.6
133.07597	0.6
134.05998	8.4
135.04462	0.6
136.03923	1.1
136.06169	0.6
136.07582	2.0
140.01099	0.9
141.05490	1.0
144.04428	1.1
146.06007	11.1
147.04402	0.5
148.03909	0.7
148.07590	0.6
149.07077	1.0
150.05508	8.1
152.07088	1.2
161.07057	2.7
162.05505	17.3
162.07578	0.8
164.03407	5.9
166.08717	1.1
168.41983	0.5
171.05498	0.7
172.03976	0.8
173.07147	1.7
174.05434	0.6
174.99263	1.3
176.99016	1.0
179.08177	0.8
180.06552	1.4
182.08115	1.3
189.06540	2.8
190.05025	3.5
191.08449	1.9
197.11740	2.7
203.05786	0.7
207.07645	9.3
208.06155	0.7
219.07764	1.5
220.08380	2.0
225.08948	0.5
235.07127	1.7
236.05615	1.3
236.07806	0.7
253.08345	4.2
253.10948	0.7
253.15596	1.0
260.71002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.88663	0.2
57.03423	0.3
60.48894	0.3
70.48127	0.4
70.48518	0.6
74.02438	0.8
79.05487	0.7
80.03733	0.3
81.07046	3.2
88.03959	1.4
91.05474	3.0
91.16146	0.3
94.04053	1.4
98.98465	1.9
109.68156	0.3
115.70675	0.3
116.03454	0.4
119.03532	3.0
120.08105	0.6
124.48074	0.2
134.04475	2.0
136.06174	100.0
137.04576	2.0
137.06569	0.4
141.58315	0.3
179.26987	0.3
206.08078	0.6
213.72946	0.3
234.13483	14.5
252.14539	41.4
253.14879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.109
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
55.05492	0.7
56.96549	1.0
57.07062	0.5
60.04510	1.1
67.05483	0.8
68.05008	0.5
69.03426	0.7
70.06574	2.0
71.04975	1.0
71.56625	0.6
71.57066	0.5
72.08141	0.8
73.02897	1.6
74.02417	0.7
79.05484	1.1
80.05016	0.8
81.03425	0.6
81.07034	1.7
82.06536	0.6
82.83875	0.5
84.04492	1.3
84.08128	1.9
85.02869	0.5
86.09677	0.5
87.04416	0.8
88.03970	1.1
91.05483	0.8
94.04013	0.5
94.06563	1.1
95.04955	0.9
95.06071	0.8
97.02932	0.7
98.06018	0.6
98.98464	51.0
99.04443	1.7
104.07124	0.6
110.07205	0.9
111.05556	2.2
116.98668	0.9
116.99493	3.1
117.05489	2.5
118.06580	0.6
119.03540	1.0
120.08076	0.8
121.02805	0.5
123.05579	3.5
135.05551	0.7
136.06180	100.0
137.04608	1.1
137.07141	1.0
140.01031	0.9
146.09679	1.2
147.04437	0.7
154.46136	0.5
166.08577	0.8
174.99214	0.6
176.98946	0.5
179.08554	1.0
179.11778	6.4
182.05586	1.1
192.10182	0.6
206.08102	0.8
207.08072	1.7
234.07675	0.5
252.10533	0.9
252.13356	0.8
252.16093	1.3
252.20610	0.5
252.23250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03934	1.6
54.52432	0.6
55.01122	0.6
55.01862	0.9
55.05509	3.4
56.96569	2.1
57.03436	1.4
57.07057	3.6
59.04990	2.0
67.05498	6.6
69.03429	2.8
69.07066	2.7
69.48456	6.1
71.04987	23.2
71.08620	1.9
76.79524	0.6
79.05483	5.3
81.03415	1.5
81.07057	7.1
83.04978	4.8
83.08610	1.4
85.02908	1.2
85.06532	2.0
89.03915	0.8
91.05470	3.6
93.07047	7.4
95.04961	6.1
95.08614	7.0
97.02876	1.0
97.06512	4.4
98.98461	100.0
99.04436	1.5
99.08112	1.3
105.07036	5.3
107.04951	1.3
107.08607	6.4
109.06516	3.5
109.10154	5.7
111.08073	1.0
113.06005	2.4
116.98632	2.5
116.99512	4.3
117.03362	2.6
117.07017	3.0
119.08583	8.1
121.06511	2.7
121.10146	7.5
123.08058	4.2
123.11713	1.7
125.05992	11.3
127.38739	0.7
129.07051	0.8
131.08481	3.2
133.06476	1.3
133.10126	1.3
134.99675	1.3
135.08087	1.4
135.11694	2.9
137.06013	1.4
137.09602	7.5
140.01042	0.8
143.08539	1.0
145.02859	5.8
145.06554	0.6
145.10117	7.5
147.08029	9.2
147.11671	2.3
149.06049	0.8
149.09576	3.5
149.13205	1.0
151.07536	3.5
151.11156	1.4
151.14883	1.2
155.21823	0.6
157.10101	0.9
159.08058	1.3
159.11713	1.6
159.92522	0.9
161.05904	0.9
161.09660	0.8
161.13239	0.8
163.11172	16.9
163.14771	0.9
165.09219	1.1
173.09587	1.2
173.13203	1.5
174.99294	2.1
175.11169	2.5
177.00739	1.4
177.05490	5.2
177.09132	0.6
179.14294	8.6
181.12233	5.0
187.11201	1.6
187.14822	2.6
189.12856	0.9
191.02289	0.9
191.14294	1.5
192.34558	0.7
193.12274	1.1
195.10216	1.1
196.08617	2.0
196.58829	0.8
201.27507	0.7
205.09151	2.4
205.15973	0.9
207.13866	1.6
208.08560	0.7
209.09724	0.7
215.10684	0.7
215.14363	2.0
217.09081	2.3
221.10608	0.8
228.59889	0.7
230.08142	1.2
233.11754	0.9
233.15340	6.7
239.08554	2.2
239.58652	0.8
251.09024	3.3
251.12648	3.7
251.16377	17.0
251.20242	1.1
252.12415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03923	1.3
55.01868	1.7
55.05511	1.8
55.85823	0.9
56.96550	1.0
61.77612	1.0
67.05495	7.0
69.03432	4.5
69.07059	3.7
69.57757	6.0
71.05003	5.0
73.02853	0.8
79.05480	8.4
81.03402	1.1
81.07053	15.4
83.04967	1.8
85.06539	1.4
91.05470	8.6
93.07033	9.3
95.04960	7.7
95.08586	2.7
97.06525	3.8
98.98459	100.0
99.04449	5.9
103.05464	1.7
105.07021	17.5
105.07679	1.3
107.04947	2.1
107.08595	3.4
109.06512	10.2
111.04433	0.9
111.08062	1.1
113.05961	1.2
115.05434	1.9
116.06220	0.9
116.99471	2.8
117.07013	6.4
119.04944	3.7
119.08541	5.4
121.06496	6.9
121.10163	1.6
123.04405	2.3
123.08025	2.0
125.05988	1.7
127.07558	3.2
129.06992	3.0
130.07770	3.9
131.04889	0.9
131.08553	11.4
133.06458	4.1
133.10162	2.4
135.04396	1.2
135.08067	2.0
135.11720	1.0
137.05969	14.7
139.07585	1.6
141.06979	1.2
143.07025	1.2
143.08540	3.3
144.09334	2.4
145.06441	4.1
145.10117	28.4
147.08063	1.6
149.09639	2.8
151.07544	2.4
154.07796	2.1
158.07269	2.0
159.08093	1.1
159.11691	11.0
163.07494	2.0
163.11205	6.3
165.06981	1.1
167.08517	1.0
169.10132	4.1
172.08806	2.5
173.05870	0.8
173.09592	11.7
174.99222	3.0
177.05463	1.5
177.09157	1.0
177.12781	1.9
178.67520	0.8
181.10513	0.9
182.07213	1.2
186.38817	0.8
187.11166	33.6
189.12660	1.1
191.06953	2.4
191.10660	9.0
197.09653	2.8
205.08682	1.0
205.12259	9.7
209.11755	2.5
215.10654	16.5
233.11745	11.1
233.15247	1.5
251.08998	1.6
251.12837	6.6
251.16287	2.1
252.12434	1.0
264.25586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01871	2.2
55.05500	2.9
57.07060	1.6
59.04994	1.1
67.05500	9.2
69.03423	5.4
69.07068	2.6
70.84423	1.3
70.84772	2.6
71.04983	9.4
77.00371	1.0
77.54170	1.0
79.05488	11.0
81.03403	1.6
81.07050	19.0
83.04971	3.8
85.06528	2.0
87.04456	1.1
87.75732	1.0
91.05470	10.9
93.07037	11.6
95.04966	12.8
95.08578	7.0
97.06530	7.5
98.98461	100.0
99.04437	7.9
105.03380	1.1
105.07026	22.0
107.04943	3.7
107.08601	6.4
107.09222	1.0
109.06499	18.7
109.10131	2.1
111.08083	1.8
113.05997	1.8
115.05405	1.9
116.99480	3.5
117.07014	7.0
119.04922	3.9
119.07845	1.4
119.08553	7.6
121.06485	7.5
121.10130	2.9
123.04436	3.6
123.08060	1.8
125.05984	3.5
127.07545	2.9
128.06210	2.3
129.07004	4.7
130.07788	3.7
131.04921	1.8
131.08574	16.2
133.06500	3.5
133.10118	2.1
135.04378	1.2
135.08060	2.9
135.11630	1.7
137.05965	20.9
139.07535	3.1
141.06996	1.9
142.07686	1.1
143.07166	1.1
143.08565	3.9
144.09361	3.7
145.06487	6.4
145.10114	39.6
147.08041	2.1
149.09612	4.5
151.07553	3.3
153.07059	1.8
154.07776	3.0
155.08517	1.3
158.07285	1.7
159.08095	2.5
159.11694	18.7
161.09653	2.1
163.07578	2.1
163.11157	9.6
169.10107	4.7
171.11771	1.3
172.08789	3.1
173.09628	16.3
174.99245	1.8
177.05513	2.0
177.12788	1.5
179.08577	1.5
181.10567	2.1
187.11183	53.5
189.12703	2.2
191.07025	2.7
191.10649	13.1
196.62720	1.1
197.09726	2.2
205.12221	16.5
209.11736	3.0
215.10669	22.0
219.06389	2.0
219.08316	1.1
233.11703	12.5
233.15413	1.4
251.09065	3.2
251.12759	8.2
251.16296	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	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05499	1.3
56.96565	0.8
57.07069	5.1
61.59305	0.4
65.03928	1.0
67.05494	2.5
69.07068	2.7
69.46220	1.4
69.46643	2.0
71.04988	0.5
71.08612	0.6
79.05494	2.3
80.04887	0.4
81.03401	0.9
81.07038	3.2
82.37730	0.4
82.86193	0.4
83.04974	0.9
83.08595	0.6
85.06545	1.0
91.05480	1.9
93.03426	0.5
93.07032	1.9
95.04951	1.6
95.08612	2.4
97.06533	0.9
98.21501	0.8
98.98457	100.0
99.08066	0.9
105.07047	1.3
107.04948	1.3
107.08582	1.7
107.88992	0.3
109.06500	0.7
109.10152	1.1
116.98664	0.7
116.99477	5.4
119.08557	1.0
121.02845	3.3
121.06499	0.9
123.08025	0.5
123.11679	0.5
125.06042	0.4
127.03915	0.5
131.08540	0.9
133.10112	0.5
134.99687	0.6
135.04404	11.7
135.08003	0.4
135.11617	0.7
137.13187	0.4
139.03889	15.5
140.01051	1.6
145.02803	0.8
145.10059	1.2
149.05988	0.7
152.04727	0.5
153.05452	21.5
154.05815	0.5
159.11697	0.6
163.11214	0.7
173.01164	0.5
174.99228	2.6
177.05450	0.7
191.02229	0.5
191.10611	0.8
205.12311	0.8
209.11708	95.0
210.12048	2.3
223.13235	0.6
233.15305	0.7
248.91742	0.5
251.12640	2.8
251.16406	1.2
251.20140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	Nigrolineabenzopyran A
Peak:m/z	Relative Intensity
53.03942	1.1
55.01877	3.2
55.05500	1.8
56.96555	1.1
57.03431	2.4
57.07065	0.8
59.04996	1.6
65.03918	0.8
67.05501	3.7
68.99787	0.7
69.03429	1.0
69.07061	1.4
71.04981	1.5
72.41742	0.4
79.05492	7.4
81.03408	1.6
81.07054	5.1
82.11395	0.5
83.01323	0.5
83.04987	1.6
83.08622	0.8
85.02905	1.0
87.04469	0.7
91.05472	13.2
93.07047	5.5
95.04971	3.2
95.08600	3.0
97.02876	0.5
97.06523	1.3
98.20749	0.9
98.98459	100.0
99.04443	1.4
103.05473	4.3
105.03393	1.0
105.04530	0.5
105.07024	8.9
107.04954	4.3
107.08593	3.9
108.08096	0.7
108.78075	0.4
109.06516	2.9
109.08388	0.6
109.10126	0.6
111.04385	0.6
111.08064	1.1
113.05991	0.9
114.90626	0.5
115.05448	6.9
116.06283	0.7
116.99483	4.8
117.06216	1.0
117.07005	11.9
119.04936	3.4
119.08569	3.4
121.02823	0.6
121.06493	5.1
121.10136	1.7
123.04443	0.5
123.08040	0.8
123.11704	0.8
125.02360	0.6
125.05972	0.8
127.07539	0.7
128.06216	1.0
129.07007	1.1
131.04948	3.2
131.08539	2.1
132.58752	0.5
133.06485	3.9
133.10130	2.2
134.03659	0.8
135.04419	2.1
135.08020	3.6
135.11650	1.1
137.05978	2.2
140.01053	1.3
142.34029	0.4
143.08542	0.9
144.08080	0.6
145.02827	1.1
145.06477	15.0
145.10146	2.2
146.07236	1.7
147.04359	1.7
147.08025	3.1
147.11642	1.2
149.05977	4.2
149.09590	1.5
151.03886	0.8
151.07541	0.8
151.11166	0.4
157.06535	0.7
157.10179	0.5
159.04381	1.7
159.08073	1.0
159.11674	1.3
160.05211	0.5
160.13644	0.5
161.05949	1.8
161.09578	1.4
162.06734	0.6
163.03918	1.2
163.07526	12.3
163.11195	0.7
165.05470	1.0
167.06943	0.6
173.04602	0.9
173.05978	10.0
173.09612	1.1
173.13200	0.9
174.06721	2.3
174.99181	1.6
175.03883	0.9
175.07524	2.5
175.11215	0.6
176.04683	0.5
177.05458	11.6
177.09079	1.2
179.07010	0.8
180.10185	1.1
181.10544	3.0
181.11986	0.7
183.12090	0.7
187.11121	1.6
189.05418	0.6
191.07019	31.4
191.14426	0.5
193.08585	0.5
197.09747	0.6
201.05452	7.9
205.08580	2.9
205.12109	0.7
207.06490	0.5
209.08066	4.6
215.10631	1.1
215.17802	0.7
219.06506	23.5
223.09663	2.2
226.41158	0.5
233.08066	1.3
233.15327	1.4
251.09114	32.9
251.16356	1.9
251.18399	0.7
252.09361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1297
Annotation	1-O-ethyl-N-acetyl-beta-D-glucosamine
Peak:m/z	Relative Intensity
55.05521	0.3
67.05513	0.5
69.07074	3.0
70.06564	0.5
71.01859	0.5
71.02181	0.6
71.04977	0.3
73.06531	0.4
79.05479	0.8
80.31374	0.2
80.36907	0.2
81.07048	0.4
94.04044	1.5
95.05045	0.3
97.06534	2.6
98.98463	8.3
98.99122	0.4
103.86833	0.4
116.99481	0.3
119.03570	1.8
136.06181	100.0
137.04601	2.1
137.06578	0.6
148.00735	0.3
152.05661	2.8
153.04042	0.5
170.50282	0.3
174.07758	1.1
204.76173	0.3
213.08926	0.3
239.43855	0.3
250.12985	80.1
251.13324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08205	0.9
53.03934	1.7
55.05268	1.1
55.05515	15.0
56.96562	1.1
57.07076	10.4
65.03934	1.0
66.08440	0.7
67.05504	39.5
69.03416	3.7
69.06729	1.3
69.07074	17.9
70.05816	1.8
70.06227	2.6
71.08630	4.4
79.05492	6.0
79.87724	0.8
81.03415	2.1
81.07057	58.8
83.08622	22.5
85.02894	3.1
85.10185	1.5
85.23727	0.7
87.00823	1.7
91.05466	2.8
92.83444	0.9
93.07059	4.6
95.04980	2.1
95.08608	100.0
96.08921	1.8
97.02886	1.7
97.10170	9.9
98.20878	1.0
98.97646	0.9
99.04443	1.3
99.22367	0.9
101.25082	0.9
105.07041	1.6
107.08590	2.2
109.02827	0.9
109.06506	1.1
109.10158	61.6
110.10431	1.3
111.11710	3.1
119.08588	1.4
121.10120	1.9
123.11713	26.8
127.03934	1.6
133.10133	1.8
137.13252	6.8
151.14838	2.0
161.13211	1.2
179.17891	1.4
193.19551	2.3
203.17879	1.3
249.14714	1.0
249.18500	2.2
249.25809	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03929	1.2
55.05507	14.6
57.07077	5.7
58.07396	1.6
58.40710	1.0
67.05497	12.6
69.03413	1.4
69.07067	9.1
69.35890	6.2
69.36304	3.4
70.06578	2.9
71.04971	1.0
71.06918	1.8
71.96795	1.1
79.05499	9.2
81.03403	1.4
81.07055	17.3
83.08619	6.9
84.08127	1.0
85.02891	1.2
85.06548	1.3
88.07631	3.1
89.07954	2.4
91.05472	7.7
93.07040	16.0
95.04954	3.3
95.08605	29.4
97.06525	2.0
97.10158	4.4
99.04439	1.5
105.07038	17.7
106.07365	1.1
107.04926	1.7
107.08576	21.0
108.08078	1.6
108.09015	1.4
109.06514	2.2
109.09429	0.7
109.10150	18.8
111.08094	1.7
111.27007	1.0
119.08575	28.2
121.06507	2.0
121.10147	13.5
123.08049	1.8
123.11684	5.1
123.68216	1.0
125.05988	1.1
125.09655	1.2
129.06946	1.4
131.08545	2.3
133.10127	29.5
134.10498	1.2
135.04405	1.9
135.08047	2.3
135.11703	5.8
137.13283	2.1
139.07545	1.8
143.08533	1.5
145.10121	3.8
147.11679	27.2
149.09586	2.0
149.13254	4.6
151.07474	2.0
152.14316	8.7
153.09099	5.5
159.11719	2.6
161.09622	2.9
161.13281	11.5
163.14833	2.1
165.09113	1.4
165.12708	1.7
167.10649	5.1
173.13197	1.7
175.11203	2.0
175.14845	10.9
179.10704	3.1
183.05585	1.1
189.12781	2.3
189.16400	1.3
193.12340	1.7
203.17973	100.0
204.18312	2.5
205.19496	2.9
207.13744	1.3
213.16432	1.3
221.19016	4.5
223.37935	1.0
231.17465	5.6
231.24110	1.7
249.03906	1.6
249.11102	2.1
249.14963	2.7
249.18513	16.3
249.23334	2.2
249.25223	30.2
267.04205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05507	14.6
57.07077	5.7
58.07396	1.6
58.40710	1.0
67.05497	12.6
69.03413	1.4
69.07067	9.1
69.35890	6.2
69.36304	3.4
70.06578	2.9
71.04971	1.0
71.06918	1.8
71.96795	1.1
79.05499	9.2
81.03403	1.4
81.07055	17.3
83.08619	6.9
84.08127	1.0
85.02891	1.2
85.06548	1.3
88.07631	3.1
89.07954	2.4
91.05472	7.7
93.07040	16.0
95.04954	3.3
95.08605	29.4
97.06525	2.0
97.10158	4.4
99.04439	1.5
105.07038	17.7
106.07365	1.1
107.04926	1.7
107.08576	21.0
108.08078	1.6
108.09015	1.4
109.06514	2.2
109.09429	0.7
109.10150	18.8
111.08094	1.7
111.27007	1.0
119.08575	28.2
121.06507	2.0
121.10147	13.5
123.08049	1.8
123.11684	5.1
123.68216	1.0
125.05988	1.1
125.09655	1.2
129.06946	1.4
131.08545	2.3
133.10127	29.5
134.10498	1.2
135.04405	1.9
135.08047	2.3
135.11703	5.8
137.13283	2.1
139.07545	1.8
143.08533	1.5
145.10121	3.8
147.11679	27.2
149.09586	2.0
149.13254	4.6
151.07474	2.0
152.14316	8.7
153.09099	5.5
159.11719	2.6
161.09622	2.9
161.13281	11.5
163.14833	2.1
165.09113	1.4
165.12708	1.7
167.10649	5.1
173.13197	1.7
175.11203	2.0
175.14845	10.9
179.10704	3.1
183.05585	1.1
189.12781	2.3
189.16400	1.3
193.12340	1.7
203.17973	100.0
204.18312	2.5
205.19496	2.9
207.13744	1.3
213.16432	1.3
221.19016	4.5
223.37935	1.0
231.17465	5.6
231.24110	1.7
249.03906	1.6
249.11102	2.1
249.14963	2.7
249.18513	16.3
249.23334	2.2
249.25223	30.2
267.04205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03949	3.2
55.05510	17.3
57.07069	5.3
65.03933	2.6
67.05499	27.1
68.41005	1.9
69.03424	3.5
69.07075	11.6
69.99672	10.6
70.06577	2.2
71.04983	3.0
71.08632	2.2
79.05486	21.9
80.13939	1.7
81.03417	2.5
81.07053	28.9
83.04989	2.6
83.08621	9.0
85.02893	3.1
85.06544	2.3
91.05486	15.4
93.07040	28.2
95.04969	7.1
95.08602	52.5
97.02904	2.3
97.06546	3.5
97.10164	4.4
103.05463	2.3
105.07030	28.1
106.07391	2.1
107.04963	3.1
107.07878	2.9
107.08587	32.0
109.06506	3.6
109.10149	29.4
110.09740	2.2
111.08064	2.4
119.08578	38.7
121.06541	3.7
121.10130	28.1
123.08058	3.2
123.11713	5.9
125.09579	2.0
131.08519	4.5
133.06468	2.4
133.10132	36.2
135.04443	4.0
135.08049	3.2
135.11682	12.9
137.13257	4.2
139.07481	2.7
143.08615	1.9
145.10144	3.7
147.08034	2.5
147.11682	33.4
149.13243	6.3
151.11195	2.3
152.14346	13.3
153.09113	7.3
161.09637	3.2
161.13245	11.8
167.10707	6.7
171.11685	2.8
175.11134	2.9
175.14819	27.9
179.10754	2.8
193.12209	3.4
203.17941	100.0
204.18201	3.9
205.19511	2.8
207.13824	2.3
213.16434	2.0
221.19061	4.5
231.17506	6.8
249.07448	2.0
249.14900	6.8
249.18369	23.9
249.20462	4.5
249.23238	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	11.8
55.01862	12.9
55.05508	11.6
55.43163	1.4
56.96539	1.9
57.03426	11.2
57.07056	3.0
58.89604	1.5
59.04966	1.3
61.02925	6.5
65.03921	2.3
67.05498	42.4
67.79395	1.2
68.99773	6.2
69.03423	82.0
69.07059	9.9
69.93449	8.6
71.01315	1.6
71.04990	10.7
73.02912	9.3
77.03911	1.7
79.05482	51.0
81.03412	44.9
81.07048	37.8
82.03731	2.0
83.01340	1.7
83.04944	2.5
83.08611	9.2
85.02898	100.0
85.06532	2.7
87.00313	2.2
87.00822	39.5
87.04457	2.5
91.05468	36.1
92.05806	1.3
93.07036	63.7
95.04957	12.0
95.08602	26.8
97.02881	52.7
97.06507	4.6
97.10171	2.0
98.97549	2.3
99.04447	25.3
99.08080	3.0
100.04779	1.4
101.02354	3.2
103.05476	1.4
105.01852	19.4
105.07021	23.0
107.04942	3.8
107.08585	30.8
108.04493	1.7
109.02870	29.3
109.06474	4.0
109.10143	14.3
111.04478	1.9
111.08062	3.3
115.03909	1.8
117.06995	6.1
119.07797	2.3
119.08567	26.0
120.97859	2.2
121.06466	2.3
121.10135	59.8
123.04388	2.6
123.08044	5.0
123.11670	4.4
125.09600	3.1
127.03905	52.2
128.04248	2.0
129.01802	3.5
129.06982	4.4
131.00227	1.7
131.08577	10.9
133.06467	1.8
133.10115	23.2
135.04404	5.7
135.08006	5.1
135.11681	17.8
137.05984	1.7
137.09563	8.1
138.98958	1.8
139.11171	1.8
143.08527	3.9
145.04962	8.5
145.10068	6.5
147.02829	1.4
147.08018	3.3
147.11679	13.8
149.01189	1.9
149.09621	6.6
149.13202	4.2
151.11134	5.9
153.09045	4.0
157.10152	2.0
159.02837	3.6
159.11662	2.6
161.05884	1.5
161.09555	3.0
161.13240	2.9
163.14812	1.7
165.12645	1.7
167.02194	1.7
167.10646	2.0
171.11667	3.4
175.11101	2.2
177.00740	1.7
179.10722	2.5
185.13177	2.7
187.14799	1.5
189.16391	14.6
193.12202	2.0
203.14198	3.3
203.17943	11.8
207.13797	2.7
213.12939	1.8
213.16412	5.9
231.04921	4.8
231.13771	2.5
231.17400	10.3
249.07405	3.4
249.11185	2.2
249.14769	6.3
249.18478	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03455	1.1
55.01865	1.8
56.96557	2.1
71.37859	1.3
71.38201	0.5
72.04514	39.2
73.02919	1.2
79.05499	0.6
84.19382	0.5
87.32535	0.5
88.03979	1.7
91.05471	1.3
93.07063	0.6
98.02411	0.6
98.97577	1.6
106.31616	0.6
107.08563	0.8
109.67632	0.6
110.10854	0.5
116.98663	1.2
117.07012	1.5
117.55206	0.6
118.06525	7.0
119.07323	6.5
132.08109	0.8
134.09648	100.0
135.09975	1.6
136.06175	1.9
144.08092	2.5
145.08864	1.5
160.11208	24.9
177.00735	0.8
187.12279	3.6
189.10242	0.6
203.06976	1.0
203.11792	12.0
204.10211	2.0
205.13353	27.6
206.11783	0.7
231.11293	10.1
232.09677	23.8
233.09981	0.9
249.12347	45.4
250.12712	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.05506	14.5
57.07069	3.3
67.05503	10.9
69.03441	1.2
69.07064	12.4
69.42541	10.6
71.04926	1.1
71.68732	1.1
79.05474	10.6
81.03403	2.0
81.07051	14.9
83.08604	4.8
91.05466	11.6
93.07030	15.8
95.04948	5.2
95.08597	24.1
97.10148	5.1
98.21523	1.2
105.07016	18.9
105.56803	1.3
107.04929	3.3
107.08590	18.4
108.22674	1.1
108.40769	1.3
109.06516	2.5
109.10147	15.3
111.08051	1.8
114.42172	1.2
117.07005	2.6
119.08574	26.6
121.06484	2.2
121.10121	15.5
123.08058	1.5
123.11695	3.6
125.05978	1.7
125.09618	1.8
129.06958	1.8
131.08577	4.3
133.06535	1.7
133.10112	26.5
133.39207	1.2
134.10454	2.0
135.04355	1.6
135.08029	2.6
135.11687	8.7
137.09650	1.4
139.07555	2.2
145.10109	2.2
147.11670	22.1
149.13263	3.7
151.07521	1.4
151.11200	1.5
153.09094	6.2
159.11705	2.3
161.13234	12.8
163.11061	1.3
163.14799	2.5
165.09212	2.4
167.10648	5.5
174.13910	1.6
175.11205	2.5
175.14793	3.8
179.10597	1.8
181.12231	1.5
189.16316	2.0
193.12267	2.8
203.17949	100.0
204.18309	3.4
205.19521	3.8
221.19006	4.3
231.17456	4.3
249.14699	7.1
249.18498	16.4
249.25449	1.6
252.95578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14058	0.5
55.01867	1.2
56.96557	5.2
57.03441	0.6
64.21670	0.5
67.05486	1.0
70.06563	0.6
71.01328	0.7
71.19672	0.8
71.20008	0.6
72.04514	41.6
79.05485	0.9
81.07064	0.9
85.02871	0.6
87.34711	0.5
88.03967	1.3
91.05470	1.6
92.43983	0.7
93.07044	1.1
97.02869	1.1
98.02437	0.7
98.97563	2.7
103.05351	0.6
105.07009	1.0
107.08557	0.7
109.02750	0.5
115.05377	1.4
116.03407	0.9
116.98579	3.5
117.06984	1.8
118.06529	9.2
119.04942	0.8
119.07317	6.5
119.08540	1.0
128.06172	0.6
130.06497	0.8
132.08072	1.0
134.09641	100.0
134.99661	2.6
135.09985	1.2
136.06181	8.2
143.04951	1.1
144.08038	2.8
145.08806	1.3
146.09660	1.0
147.04362	0.6
150.99088	1.2
158.09518	0.6
158.99628	0.6
160.11205	25.9
161.01193	1.0
161.06001	0.9
161.09639	1.1
169.00186	0.8
175.07639	0.8
175.68591	0.6
177.00719	1.3
187.12242	3.9
203.06903	0.7
203.11806	11.1
204.10223	2.0
205.13353	26.4
206.11818	1.7
220.11432	0.6
231.11253	10.0
232.09688	25.1
239.03932	0.6
249.12341	48.5
250.12708	3.0
267.00143	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03940	0.9
55.01862	0.9
55.05483	1.8
56.96548	0.8
57.03420	0.9
60.12146	0.7
67.05486	3.2
69.03431	3.7
69.07089	1.1
71.04966	0.8
71.09150	1.0
71.09457	1.0
79.05490	5.1
81.03399	3.3
81.07030	3.6
83.04985	0.9
85.02881	1.5
91.04965	1.0
91.05475	10.8
93.07049	4.0
95.04943	2.4
95.08583	2.0
97.02885	1.3
97.06554	0.8
97.87733	0.7
98.97531	1.2
103.05446	2.4
105.01783	0.8
105.03371	2.2
105.07029	6.4
107.04956	5.1
107.08551	2.4
109.02864	1.0
109.10165	1.4
115.05432	6.7
116.06239	4.6
117.07000	4.6
118.07806	0.9
119.04893	1.0
119.08560	3.4
121.06483	3.5
121.10131	2.0
123.04357	0.8
128.06215	13.0
129.06999	28.5
130.07794	0.9
131.04895	3.0
131.08557	22.4
132.05688	1.8
132.08873	0.8
133.06468	4.2
133.10109	3.5
135.04405	7.6
135.08063	1.0
137.09596	1.0
141.06966	12.1
142.07794	4.5
143.04922	1.0
143.08546	4.5
144.05679	11.6
145.06467	8.1
146.07237	4.0
147.04399	2.8
147.08041	2.1
147.11607	1.6
152.06113	1.2
153.06958	2.4
153.85208	0.8
155.06039	1.0
156.05687	3.0
157.06483	12.4
157.10095	1.0
158.07254	2.4
159.04488	1.3
159.08051	32.6
159.09387	1.6
160.05209	1.5
160.08592	1.2
161.05977	4.8
161.09607	9.1
167.04971	0.9
167.07004	1.0
169.06454	2.0
169.07654	3.0
170.07281	9.3
171.04366	1.3
171.08041	9.4
172.05176	4.2
173.05942	4.1
174.06792	3.7
175.07512	4.3
177.05446	1.1
178.06264	0.9
184.05199	1.5
185.05914	1.3
187.07533	23.0
188.08289	1.9
189.05458	6.2
189.09105	10.8
189.16463	0.9
190.06166	1.6
191.06996	1.3
193.08604	1.3
198.06738	2.3
199.07484	3.6
201.05446	1.6
203.06998	7.6
203.14218	0.9
204.07785	15.0
204.09613	1.4
205.08585	3.0
206.09439	2.0
216.07799	4.4
217.08630	1.6
218.09360	1.8
219.10162	2.2
221.07996	1.5
221.11707	2.8
231.10135	7.6
231.13759	1.2
234.06715	1.1
249.11206	100.0
250.11577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03924	1.2
55.01856	2.4
55.05495	2.1
56.96534	2.1
57.03430	1.0
58.99566	1.0
61.66554	0.7
63.59072	0.7
65.03921	1.0
67.05478	3.2
69.03426	7.7
69.07053	2.8
70.06575	0.8
71.04961	1.0
71.56945	0.8
71.57340	1.1
72.08144	0.9
73.02897	0.7
76.02214	2.7
79.05469	3.3
81.03400	3.1
81.07040	3.9
83.04955	0.9
83.08591	0.9
85.02900	7.2
85.10149	2.5
86.99054	1.0
87.00812	1.6
91.05470	17.6
93.07012	3.3
95.04953	3.7
95.08572	3.1
97.02882	4.9
97.06509	1.8
99.04445	1.8
102.05499	1.0
103.05449	5.3
105.00073	2.2
105.01839	1.1
105.07040	6.6
107.04955	3.8
107.08567	3.1
107.25507	0.7
108.08043	0.7
109.02858	2.0
109.06530	1.1
109.10116	1.8
112.22703	0.7
115.05446	20.9
116.06278	4.6
117.07011	21.0
118.04080	0.8
119.04953	1.6
119.08575	4.5
121.06501	2.8
121.10118	1.6
122.02733	10.0
123.08013	1.2
127.03899	4.1
127.05338	1.1
128.06216	13.9
128.54716	0.7
129.07004	29.0
129.29799	0.6
130.07721	1.2
131.04907	4.9
131.08565	22.8
132.05719	3.4
133.06464	5.8
133.10092	2.8
134.99701	0.8
135.04417	7.8
135.08014	1.2
137.05959	1.9
141.06982	13.5
142.07770	6.1
143.04924	1.9
143.08534	4.9
144.05685	14.2
145.06477	31.7
145.10095	1.4
146.03598	2.0
146.07300	4.8
147.04393	2.3
147.08023	1.5
147.11690	1.3
148.11958	0.7
149.01196	1.0
152.06158	1.7
153.07001	3.1
155.04951	1.0
155.06041	6.7
156.05699	2.6
157.06482	13.9
157.10071	1.4
158.07281	3.8
159.04443	7.3
159.08057	35.6
160.05177	2.9
161.05989	8.4
161.09618	12.1
163.07463	1.0
165.09126	1.1
167.07060	1.3
169.06445	2.2
169.07623	2.8
170.07269	10.5
171.04378	2.7
171.08028	9.1
172.05206	5.8
173.05965	11.9
174.03159	1.5
174.06723	2.8
175.03943	1.5
175.07506	4.5
175.11130	1.0
177.00676	0.8
177.05501	1.1
178.06270	1.7
184.05284	1.1
185.06006	1.8
185.09462	0.7
185.13254	1.0
186.06796	1.7
187.07541	24.3
188.08284	1.9
189.05473	13.3
189.09087	10.6
190.06186	2.3
191.06993	3.0
193.08591	1.4
198.06927	1.4
199.07474	3.3
201.05458	2.9
203.07030	8.8
204.07799	16.3
205.08534	2.4
206.09319	1.4
216.07814	5.3
217.04967	11.3
217.08371	1.5
218.09383	1.3
219.10175	2.5
221.08003	1.9
221.11559	4.1
231.06436	1.9
231.10162	9.9
231.13786	1.7
234.05074	1.0
234.08899	1.1
249.07512	4.0
249.11205	100.0
249.20410	2.3
250.11517	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	249.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55869	2.1
52.80767	1.8
53.73935	2.0
54.03471	6.8
55.01871	11.7
56.96564	100.0
57.03431	4.7
58.02956	29.7
60.04519	3.8
60.95855	4.0
61.02924	7.9
61.04039	9.5
69.03434	4.6
70.05008	4.8
70.05399	4.8
70.98122	58.7
71.01349	2.7
72.04521	8.4
73.02911	12.2
74.02437	4.8
74.97587	12.3
81.21758	1.9
82.02956	6.4
83.00894	1.9
83.01343	4.1
84.00879	2.6
84.04498	14.5
85.02913	22.0
86.02425	19.3
86.97604	2.6
87.04458	2.6
88.04014	2.1
88.99154	58.1
97.02879	3.0
98.20756	3.0
98.97579	87.4
99.02039	2.1
99.97936	2.5
100.02861	2.6
100.03960	17.2
101.02384	14.5
104.01245	2.1
104.03471	3.6
107.00181	21.2
109.98798	3.0
110.02404	31.9
111.00803	3.6
111.01945	3.3
113.02358	3.2
114.05511	3.5
115.03982	2.1
116.03465	6.6
116.98615	60.5
118.04986	15.1
120.52341	4.7
123.49212	2.1
125.03439	4.4
126.01885	9.4
127.01423	8.2
127.03869	2.1
127.05049	3.4
128.03432	39.8
128.98586	14.2
129.01884	4.0
129.02966	7.2
131.00119	4.7
134.99657	29.2
139.01389	4.8
142.04958	13.8
143.99628	2.1
145.02501	5.0
146.04486	27.8
146.53957	2.4
146.99649	68.4
147.00786	4.1
147.04999	2.2
149.01140	4.8
153.00725	5.6
153.02914	3.5
156.02902	11.9
157.02507	4.7
157.04475	2.5
158.04543	5.0
158.99664	4.9
159.04039	5.9
160.06087	9.5
161.04471	4.3
163.02853	4.8
163.04391	5.4
165.00722	97.4
171.04034	2.9
174.03981	23.6
177.00708	3.7
177.04657	2.1
178.07074	2.6
181.03841	2.3
183.01747	17.5
188.05545	30.1
189.00699	32.1
189.03828	2.3
199.03481	3.7
206.06651	13.2
206.99791	3.2
207.01756	62.6
220.94263	2.3
225.02821	10.5
231.06175	8.3
237.02927	2.4
249.06873	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03946	1.0
55.01858	1.3
55.05491	1.9
56.96548	1.8
57.03424	1.2
57.07065	0.8
65.03954	0.7
67.05495	3.3
69.03426	8.3
69.07041	2.1
70.06613	0.6
71.04992	1.6
71.56353	0.8
73.02911	0.6
76.02218	2.0
79.05482	2.8
81.03404	3.1
81.07037	2.6
81.36547	0.6
83.08613	0.9
83.92635	0.7
85.02899	6.6
85.06511	0.6
85.10164	1.2
87.00801	1.4
91.05476	16.3
93.07039	3.2
95.04957	2.8
95.08596	1.9
97.02888	5.4
97.06536	0.7
98.97573	1.2
99.04446	1.0
99.88849	0.6
102.05495	0.8
103.05416	3.7
105.07035	7.4
105.42602	0.6
107.04979	3.5
107.08585	1.8
109.02853	1.4
109.06502	1.1
109.10165	2.2
115.05441	18.1
116.06261	5.9
116.98616	1.3
117.07010	17.8
118.04146	0.7
119.04881	1.0
119.08588	4.1
121.06487	1.8
121.10134	1.9
122.02704	3.6
123.04405	0.9
123.08027	1.0
127.03910	4.1
127.05450	1.7
128.06215	14.3
129.07002	24.6
130.07753	0.9
131.04919	3.8
131.08562	21.2
132.05676	1.8
133.06482	4.3
133.10150	4.8
134.99614	1.3
135.04420	5.0
135.08047	1.0
136.07616	0.7
137.05931	1.8
137.09721	0.6
141.06984	13.5
141.76787	0.6
142.07794	5.4
143.04912	1.8
143.08545	5.0
144.05692	14.0
145.06476	27.4
146.03633	1.8
146.07274	4.9
147.04390	2.4
147.08018	1.8
147.11633	1.3
149.05907	0.9
151.11143	0.9
152.06163	1.2
153.06989	2.9
155.06021	4.6
156.05682	3.1
157.06476	11.4
158.07243	3.9
159.04408	6.9
159.08046	34.3
160.05193	2.6
160.08560	0.7
161.05984	6.7
161.09607	10.4
161.13280	0.7
163.07515	0.9
167.06981	1.7
169.06442	2.1
169.07614	2.2
170.07257	11.8
171.04387	2.5
171.08051	8.9
172.05173	4.9
173.05980	9.4
174.06754	3.7
175.03915	0.8
175.07544	4.4
175.11223	0.7
175.15019	0.7
177.00580	0.8
177.05463	0.9
178.06326	1.5
178.07808	1.0
185.05957	1.2
186.06804	0.8
187.03909	0.7
187.07538	22.6
188.04764	0.7
188.08337	1.5
189.05481	12.0
189.07167	0.9
189.07513	0.9
189.09093	10.7
189.12706	1.0
190.06201	2.8
191.07037	2.9
192.07571	1.0
193.08606	2.3
198.06747	2.4
199.07529	3.2
201.05463	1.9
203.07016	7.6
203.10684	0.7
203.14241	0.9
204.07799	16.8
205.08549	2.3
206.09267	1.3
216.07753	4.7
217.04921	10.0
217.08537	1.6
218.09398	1.8
219.10158	2.2
221.08018	1.3
221.11653	4.0
231.06473	1.5
231.10129	8.4
231.13647	0.8
234.08813	0.9
249.11211	100.0
249.20412	2.9
250.11502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24566	1.4
54.03460	6.3
55.01868	27.3
55.02982	1.6
56.05013	2.5
56.96559	2.6
57.03429	7.9
58.02957	41.5
59.04976	1.8
60.04495	3.0
61.02926	7.6
61.04048	25.0
69.03416	1.7
70.02943	5.7
70.18307	6.7
71.01354	3.7
72.04515	19.1
72.08096	1.3
73.02904	24.2
74.02438	8.8
75.04456	1.5
76.05099	2.8
82.02934	10.3
82.99734	1.4
83.01348	9.7
83.02451	3.1
84.00867	11.5
84.04485	12.1
85.02899	65.3
86.02420	20.4
87.04457	6.7
88.03992	8.4
90.05553	3.2
94.02916	1.6
94.92989	3.5
98.20770	2.3
98.97561	3.7
99.01923	3.0
100.03977	35.4
101.02369	58.0
102.01899	3.1
103.03933	2.3
104.03438	3.4
106.91275	1.5
109.98716	3.7
110.02395	37.9
111.00785	10.1
111.01917	9.2
113.02373	8.1
114.01890	4.5
114.05530	3.2
115.03907	3.2
116.03443	23.6
118.05013	22.1
123.01958	3.2
125.03479	18.9
126.01857	14.0
126.05461	1.6
127.01398	29.4
127.02332	1.6
128.03427	74.2
129.01840	14.2
129.02954	23.3
130.05023	1.5
131.04536	1.6
132.02914	2.0
133.04933	1.8
134.99619	2.2
138.01863	2.9
139.01378	15.9
142.04985	16.3
143.03416	6.2
145.02423	23.0
145.04871	1.6
146.04475	100.0
146.99657	1.7
147.04901	1.7
151.05000	5.3
153.02948	25.5
155.04472	3.8
156.02902	31.8
156.04114	2.8
157.01295	4.1
157.02444	16.2
158.04543	5.3
159.04007	21.0
160.06036	20.8
161.04396	9.5
164.05516	14.2
170.04437	7.8
171.02794	2.7
171.04007	20.4
174.03972	67.3
177.00690	2.7
178.07152	1.7
181.02443	4.7
182.00906	1.7
185.05540	4.5
188.05519	47.5
189.03783	2.9
199.03485	12.6
201.05045	2.1
206.06577	30.0
213.05077	5.2
231.06113	33.7
249.07103	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	249.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
55.01867	14.4
55.05508	15.5
56.96561	7.8
57.03432	14.3
57.07069	4.3
61.02913	6.9
63.29470	2.3
65.03925	4.7
67.05500	40.6
68.99775	7.8
69.03424	83.9
69.07065	12.1
71.04984	12.6
71.57702	3.6
73.02916	8.9
79.05058	4.3
79.05492	48.7
81.03408	51.2
81.07058	38.0
82.78216	2.5
83.01340	3.0
83.04972	5.6
83.08614	10.7
85.02900	100.0
85.84995	2.6
87.00819	42.5
87.04502	3.7
91.05471	38.8
93.07034	50.0
95.04978	14.6
95.08605	33.3
97.02886	47.9
97.06509	4.3
98.97569	2.9
99.04446	29.4
101.02384	2.4
105.01865	20.1
105.07023	25.9
107.04956	10.2
107.08595	34.0
108.04505	3.0
109.02853	30.1
109.06525	4.8
109.10146	15.3
117.07020	9.0
119.08575	28.3
120.97967	2.7
121.06544	4.1
121.10138	47.3
123.04424	3.2
123.08071	3.0
123.11695	6.9
127.03907	60.3
129.07027	8.8
130.02176	2.8
131.08549	10.0
133.06528	3.4
133.10095	23.8
134.99654	3.2
135.04370	13.8
135.08040	6.1
135.11684	16.4
137.09608	7.5
138.98917	3.2
139.07576	2.5
141.06981	3.1
142.62897	2.5
143.08543	3.7
145.04942	8.5
145.10098	6.3
147.08022	3.7
147.11679	19.7
149.01201	3.6
149.09610	6.3
149.13287	3.0
151.11163	3.6
153.00639	3.8
159.02890	6.0
159.11685	3.6
161.09636	4.2
161.13266	5.3
171.11670	6.0
175.07593	3.3
175.14786	3.8
189.16393	19.7
203.14404	5.0
203.17949	19.0
207.13882	4.7
213.12740	3.5
213.16408	5.7
231.13799	5.3
231.17387	6.9
249.03783	2.9
249.07524	4.4
249.11182	5.9
249.14691	13.3
249.18449	45.7
249.22343	3.4
261.85150	2.6
262.37048	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	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71875	1.4
53.03949	10.7
54.56844	1.3
55.01872	15.0
55.05510	12.3
56.96540	2.7
57.03437	14.3
57.07058	2.1
59.04987	2.3
61.02906	5.9
62.95852	1.3
65.03931	2.3
67.05502	45.0
68.99782	5.1
69.03426	86.3
69.07063	10.9
70.48125	5.7
70.99149	1.6
71.01340	2.1
71.04996	11.9
73.02896	6.4
79.05486	59.8
81.03413	46.4
81.07050	31.8
83.04946	2.5
83.08615	8.9
85.02898	100.0
85.06520	3.5
87.00824	46.3
87.04462	2.3
91.05473	35.3
93.07034	72.3
95.04976	12.4
95.08044	2.6
95.08596	26.7
97.02884	49.8
97.06522	2.4
98.03218	1.7
99.03843	1.8
99.04449	25.4
99.08071	2.1
101.02369	1.7
103.03919	1.8
103.05476	1.3
105.01852	23.7
105.07030	22.1
107.04939	6.4
107.08581	32.1
109.02864	29.9
109.04753	2.1
109.06488	5.4
109.10150	11.9
111.08086	2.8
115.03928	2.8
115.05437	2.1
117.06992	4.0
119.08562	24.1
120.97851	1.9
121.06481	2.4
121.10136	67.1
123.04301	1.4
123.08047	5.3
123.11660	4.2
127.03902	61.3
129.01811	2.1
129.07010	3.8
131.08557	13.8
133.06483	1.7
133.10121	24.5
135.04427	5.0
135.08023	4.3
135.11678	23.3
137.05925	1.8
137.09599	9.1
142.87833	1.5
143.08528	4.2
145.04942	11.2
145.10144	6.9
147.08038	3.1
147.11687	12.1
149.09598	7.6
149.13240	3.3
151.11197	4.0
153.09064	3.7
157.10110	2.7
159.02869	6.1
159.11716	2.5
161.13228	1.9
163.11151	1.5
165.09123	2.1
167.10609	3.5
171.02945	1.8
171.11673	3.9
175.07419	1.8
175.11111	2.0
185.13202	2.4
187.14728	2.0
189.16374	14.1
193.12227	2.4
203.17892	13.6
207.13759	3.9
211.70403	1.7
213.03926	2.6
213.12720	2.0
213.16360	6.9
231.04858	4.2
231.13837	2.3
231.17320	10.4
249.07408	2.2
249.11227	2.6
249.14784	4.9
249.18460	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05498	0.2
58.30036	0.1
70.06559	0.1
70.81607	0.5
72.12939	0.2
81.07024	0.2
91.05483	0.3
98.97576	0.1
105.07012	0.3
107.08604	0.2
117.05766	0.4
117.07008	0.2
118.06538	7.5
119.07328	0.4
119.08494	0.2
120.08046	0.2
129.07019	0.2
131.07307	0.4
131.08517	0.2
132.08075	3.6
133.08856	0.8
133.09805	0.1
134.09613	0.6
135.04378	0.3
144.08081	0.7
145.08824	0.2
146.09634	2.4
147.10406	0.2
158.09601	0.2
160.11177	0.8
172.11281	0.2
174.12744	1.2
176.14342	15.6
177.14687	0.3
189.07790	0.2
190.08623	14.7
191.09242	0.4
198.93210	0.1
202.15904	3.1
203.16641	1.0
204.10176	7.5
205.10970	2.1
206.11703	0.4
218.11746	6.1
219.12473	0.3
220.13373	0.2
232.13394	0.5
233.13921	0.2
235.15634	0.2
248.16444	100.0
249.16771	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2009
Annotation	Lycopodine
Peak:m/z	Relative Intensity
53.03927	0.6
53.67339	0.2
53.87098	0.3
55.01854	0.4
55.05490	0.9
56.96556	0.4
57.03416	0.5
67.05486	1.0
68.83913	0.3
69.03424	2.2
69.07050	0.8
69.97466	0.3
70.06568	0.7
70.23129	1.2
72.08122	0.4
79.05473	0.9
80.05000	0.6
81.03422	1.7
81.07047	2.0
83.08588	0.3
85.02904	2.4
87.00808	1.3
91.05457	0.9
93.07022	1.1
94.07338	0.4
95.04949	0.7
95.08584	2.3
96.08950	0.3
97.02895	1.7
98.61541	0.3
99.04437	0.7
105.01850	0.6
105.07027	1.6
107.07294	0.4
107.08564	0.6
108.04466	1.1
109.02853	0.8
109.10126	0.9
110.09687	0.4
117.07021	0.3
118.06532	8.2
119.08567	0.9
121.06490	0.4
121.10125	0.6
123.11707	0.5
126.05505	0.7
126.84621	0.3
127.03934	1.5
132.08081	3.8
133.08856	2.1
133.10074	0.8
134.09663	1.4
135.04407	0.3
135.19841	0.3
137.13150	0.4
144.08052	0.6
145.05032	0.4
146.09595	3.8
146.10576	0.4
147.10437	0.3
147.11702	0.5
148.11096	0.3
149.13086	0.4
152.14330	3.3
160.11220	1.6
162.09119	6.7
162.10475	0.4
174.12784	0.5
176.10689	7.4
176.12080	0.5
177.11456	1.9
189.12697	0.3
189.16408	0.3
190.12221	3.8
200.20073	0.4
202.16623	0.4
204.13777	1.3
204.17462	21.7
205.17690	0.4
218.15344	0.5
230.19087	0.8
248.20074	100.0
249.14923	0.5
249.18427	0.3
249.20413	2.6
249.23204	1.3
249.25488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1504
Annotation	Peramine
Peak:m/z	Relative Intensity
53.03957	0.5
54.78971	0.5
55.01867	0.9
55.05504	0.9
69.03437	1.8
69.07083	0.6
71.04990	56.9
71.08535	1.4
72.04510	0.7
79.05494	2.3
81.03445	1.3
81.07050	8.0
85.02908	2.3
87.00816	0.9
91.05493	1.3
97.02914	1.1
99.04467	0.5
105.07042	1.0
109.02898	0.8
113.09644	14.1
116.98603	0.6
118.68927	0.6
127.03935	1.3
131.08589	0.7
134.06000	1.4
135.06662	0.7
136.06174	11.7
146.04593	6.7
148.06172	2.4
152.07060	0.8
160.07455	0.9
161.09608	0.7
169.89015	0.5
173.08336	0.9
174.07733	3.6
174.09084	0.9
176.07207	0.8
178.91528	0.6
186.07640	0.8
191.09349	0.7
199.09753	1.8
202.12286	0.6
204.06529	1.3
216.12431	100.0
217.12773	1.7
220.13283	1.5
221.09660	0.7
230.11789	1.0
248.12820	7.8
248.15045	92.6
249.15295	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	248.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05021	0.3
56.96553	1.0
57.07051	0.4
59.37766	0.4
61.01136	0.9
66.10073	0.3
67.05483	1.3
69.03402	0.6
69.07034	0.6
70.06590	4.0
71.04967	0.6
71.57101	0.5
75.78014	0.4
76.07177	0.3
79.05474	1.2
81.03413	0.7
81.07047	2.9
81.18636	0.4
82.07389	0.7
83.04958	0.4
86.06074	0.9
87.04462	0.5
89.40004	0.4
91.05454	2.1
93.07032	1.8
95.04970	0.8
95.08594	1.3
96.08138	0.8
98.97572	1.3
103.04060	0.3
105.07011	1.4
107.04912	0.5
107.08584	1.5
109.06466	0.7
109.10182	0.8
111.08056	0.4
115.05428	1.1
116.98597	1.5
117.05709	0.4
117.06987	1.7
117.59590	0.3
118.06533	7.0
119.07359	0.4
119.08570	1.2
120.08124	0.6
121.06494	0.5
121.10147	0.4
123.08054	0.6
124.07593	1.2
129.07014	0.6
131.07245	0.4
131.08557	0.8
132.08087	2.5
133.08881	0.6
133.10107	0.7
134.09637	0.6
134.99628	0.8
135.04436	0.7
137.09584	1.5
144.08038	0.8
145.06462	1.3
145.10117	0.6
146.09610	3.1
146.99614	0.4
147.06732	0.9
147.11673	0.7
148.11159	0.6
149.01201	0.5
158.09691	0.4
159.11554	0.4
160.08542	0.8
160.11209	1.0
162.09108	0.7
173.13272	0.5
174.12785	1.3
176.14337	15.8
177.00670	0.7
189.05498	0.6
190.08618	17.0
191.02267	0.5
191.09157	0.4
202.08636	0.6
202.15851	3.6
203.16658	1.0
204.10153	3.4
204.13838	1.5
205.10892	0.6
217.04956	0.7
218.11731	4.9
227.79295	0.4
230.13902	0.6
230.19089	1.0
248.16454	100.0
248.20073	11.5
249.16710	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03934	2.7
55.01866	3.0
55.05508	11.8
55.86566	0.6
56.96553	1.3
57.03425	3.2
57.07067	2.9
65.03922	2.0
67.05498	37.2
69.03427	1.9
69.07061	10.3
70.32250	1.5
70.32660	1.7
71.04987	3.5
71.08633	0.9
79.05486	37.2
80.05807	0.9
81.03413	3.1
81.07049	100.0
82.07378	1.1
83.04993	2.9
83.08624	3.9
85.06534	2.4
91.05470	15.2
93.07040	25.9
93.07636	1.3
95.04963	6.3
95.08601	23.4
97.06521	2.7
97.10165	1.4
99.08085	3.1
105.07027	11.5
107.04950	2.9
107.08589	18.4
109.06506	34.8
109.10132	8.2
111.08057	2.0
117.07011	5.9
119.08575	12.7
121.06493	2.9
121.09328	1.3
121.10142	16.9
123.08050	5.4
123.11692	8.5
125.09581	0.8
131.08559	9.5
133.10109	8.5
135.08032	4.9
135.11682	6.8
137.09599	3.6
137.13229	1.4
139.11116	0.9
142.07768	0.9
145.10114	10.1
147.11664	6.3
149.09602	2.8
149.13239	7.7
151.11145	1.9
151.14786	1.0
159.11682	7.2
161.13237	3.1
163.11188	2.8
163.14835	3.2
165.12659	1.2
173.13245	5.5
174.13684	0.7
175.14809	3.0
177.12753	2.7
177.16417	0.8
185.13243	0.7
187.14842	3.8
189.16441	1.4
191.14232	1.8
201.16365	6.9
203.17928	1.1
205.15799	1.3
211.14990	0.9
216.26987	0.7
219.17371	0.9
219.20963	1.0
229.15880	1.1
229.19450	9.9
247.16856	2.1
247.20552	37.9
269.55865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	100.0
57.03436	15.2
59.61053	5.5
60.04535	6.6
61.02917	12.2
67.05499	6.5
69.03432	12.8
70.06590	20.4
70.42265	10.0
70.42676	17.8
70.98125	11.1
73.02927	9.0
74.06077	8.1
74.97583	6.5
78.69698	5.7
79.89500	5.1
81.03396	6.5
84.04504	7.0
84.08162	25.9
85.02905	16.8
86.09708	24.8
87.10040	7.6
88.99154	7.0
97.02892	14.3
98.97576	84.9
100.03951	10.4
108.68704	5.7
110.07195	7.2
110.97559	6.2
115.00612	5.6
116.98615	84.9
119.01880	9.7
122.06057	5.2
128.02240	6.4
128.98622	9.8
129.01863	6.5
129.10320	7.0
131.99736	5.5
134.99658	57.8
136.06172	7.5
146.99667	19.6
150.05507	6.8
153.00737	14.2
154.03865	13.1
160.06364	8.3
161.01141	9.5
163.04448	13.8
165.00728	23.2
168.01665	5.1
177.00764	13.3
189.04364	9.7
193.00186	8.4
202.07115	5.5
206.06897	7.8
207.01772	8.8
224.07997	11.8
230.06929	14.0
234.72243	5.3
236.15239	5.4
248.08038	60.3
248.10652	8.2
266.09216	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	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03936	3.4
55.01858	4.2
55.05508	21.2
56.96552	3.0
57.03421	2.5
57.07058	4.9
64.20447	1.2
65.04585	1.2
66.47438	1.3
66.72705	1.2
67.05499	38.2
69.03405	3.6
69.07068	17.2
71.08648	1.6
71.58005	1.7
71.58367	1.7
72.08121	1.8
78.65011	1.2
78.97179	1.2
79.05488	37.2
79.19075	1.2
81.03406	1.9
81.07049	38.5
83.04990	6.5
83.08616	9.1
85.06520	2.0
91.05476	26.0
93.07034	49.2
95.04970	16.2
95.08611	27.5
95.51245	1.5
97.06511	4.7
97.10168	3.2
103.05468	1.4
104.99283	1.4
105.07027	23.6
107.04945	9.3
107.08591	29.8
109.06504	13.0
109.10155	13.1
111.08071	2.0
111.61918	1.3
117.07017	10.0
119.08575	16.6
120.36240	1.3
121.06509	9.2
121.09325	2.3
121.10136	26.5
123.08073	6.5
123.11697	5.5
125.09622	2.1
131.08562	13.5
133.06462	1.3
133.10117	15.2
135.08054	4.8
135.11693	15.0
137.09605	5.4
145.10112	18.3
147.11674	12.2
149.09619	9.0
149.13234	12.2
151.11169	5.9
157.10059	1.5
159.11679	13.3
161.13219	6.4
163.11244	8.4
163.14825	2.4
165.12704	2.6
173.13293	7.5
176.14320	1.9
177.12677	5.3
187.14822	2.8
189.16386	1.6
191.14267	5.8
201.09569	1.6
201.16379	24.8
203.17889	2.1
205.15840	2.4
219.17448	2.2
229.15974	1.4
229.19504	9.4
247.16978	7.6
247.20567	100.0
248.07059	4.1
248.20879	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	247.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55507	3.9
54.51315	4.2
55.05503	24.0
57.07059	8.4
57.78201	4.1
67.05505	39.5
69.07056	20.0
70.63201	7.7
70.63508	5.5
71.05003	9.9
79.05496	30.6
81.07053	94.1
83.04971	8.2
83.08620	15.5
85.06538	13.6
86.09705	6.1
91.05470	31.0
93.07038	73.8
95.04973	8.6
95.08608	81.9
97.06532	5.6
97.10126	5.7
105.07027	91.5
105.41082	4.4
107.08596	68.9
109.06501	6.8
109.10160	41.2
117.07014	4.9
119.08584	85.4
121.06535	7.1
121.10162	24.0
123.08102	4.8
123.11663	12.1
130.06375	4.9
131.08592	9.8
133.10133	68.6
135.11693	50.1
137.09602	9.5
145.10136	11.2
147.11662	29.6
149.06126	5.6
149.13333	10.3
156.13841	10.2
159.08058	6.8
159.11664	6.2
163.14836	45.3
165.16350	9.3
173.13235	6.6
175.14816	100.0
181.15857	5.6
187.11163	5.0
193.15894	42.0
211.07556	4.9
211.16905	27.4
230.54189	4.6
247.13388	10.0
248.18674	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	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03942	6.6
53.71018	2.1
54.09584	2.3
55.01860	6.2
55.05512	33.1
57.07067	4.1
60.81970	2.3
62.32886	2.1
67.05505	37.5
69.07049	11.1
69.72150	2.8
71.04980	3.2
71.57319	3.2
72.08166	3.1
79.05059	4.5
79.05493	54.8
81.07053	39.0
83.04968	4.9
83.08624	5.7
83.42664	2.9
91.05476	18.7
93.06557	3.3
93.07053	36.4
95.04948	10.8
95.08605	16.9
97.06529	2.8
97.10168	4.4
98.98460	3.6
105.07037	19.7
107.04951	40.3
107.08595	25.6
109.06513	11.5
109.10149	10.2
111.08026	2.7
117.07005	5.2
119.08590	13.8
121.06464	4.2
121.10129	22.6
123.08041	3.7
123.11687	3.9
125.09585	2.9
131.08531	13.7
133.10094	10.0
135.08026	4.0
135.11685	12.0
137.09593	4.6
145.10115	12.4
147.11685	6.9
149.09621	100.0
149.13226	5.4
151.11102	5.7
159.11630	9.2
161.13243	3.9
161.35986	2.4
163.11209	6.7
168.89891	2.4
170.28555	2.4
173.13280	5.7
176.14322	3.0
177.12801	3.5
187.14893	3.2
201.16312	13.2
219.17641	2.7
229.19530	8.1
247.14738	2.9
247.16791	7.1
247.20581	96.2
248.20995	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	247.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00475	0.6
55.01867	0.8
55.05503	3.2
57.07058	2.1
58.18561	0.6
61.53350	0.6
67.05501	5.7
69.03419	1.1
69.07065	8.0
70.06230	3.1
71.08627	1.6
72.08153	0.9
75.25549	0.7
79.05492	7.3
81.07053	10.2
83.04960	1.1
83.08602	2.9
90.85078	0.6
91.05467	6.6
93.07033	11.8
95.04958	1.8
95.08600	12.6
95.77537	0.6
97.10130	0.7
98.98400	0.8
105.06386	1.1
105.07025	13.4
107.04971	1.0
107.08588	12.7
109.06504	1.5
109.10141	6.3
111.11667	0.6
115.05457	0.9
117.06992	4.9
118.06522	0.6
119.08565	10.2
121.06482	1.5
121.10127	8.9
123.11677	1.7
125.05994	0.7
129.06999	1.5
130.07800	0.7
131.08559	13.4
133.10127	17.1
135.04411	0.6
135.08081	1.5
135.11681	7.4
137.23257	0.6
141.06956	0.8
142.07785	0.8
143.08540	1.8
144.05830	0.6
144.09335	1.0
145.06342	0.7
145.10106	22.3
146.10799	0.9
147.08022	0.9
147.11649	2.6
149.05890	0.6
149.09543	0.9
149.13216	2.9
157.10094	1.2
159.08041	1.3
159.11670	12.0
161.09641	1.7
161.13254	1.9
163.11122	1.3
163.14767	1.9
169.10133	1.1
171.11729	0.9
173.09607	1.8
173.13203	7.1
175.07568	0.7
176.14360	0.6
177.09163	1.0
177.16393	0.9
179.10664	3.8
183.11690	1.0
186.13989	2.0
187.07484	0.8
187.11229	1.6
187.14893	1.7
191.10632	2.3
191.17943	1.3
201.16362	100.0
202.16739	1.4
203.17960	2.0
204.17427	0.8
219.17479	2.9
229.12221	0.9
229.15840	2.8
229.19421	1.1
247.09694	1.1
247.13159	1.3
247.16922	19.3
247.19684	1.0
247.20593	1.0
247.24208	6.7
248.17749	0.8
248.20041	3.6
251.89822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.5
55.05503	2.9
57.07066	1.3
67.05505	3.6
69.07064	5.9
71.08620	0.8
71.56884	0.5
71.57259	0.8
72.08157	1.0
76.80590	0.6
79.05491	4.2
81.07054	5.4
83.08615	1.3
87.57610	0.5
91.05482	5.2
92.27613	0.5
93.07036	8.1
95.04953	0.9
95.08602	9.4
97.02895	0.5
105.07024	11.2
107.04892	0.6
107.08585	10.1
109.06512	0.6
109.10149	3.3
111.04414	0.7
115.05496	0.9
117.07036	3.2
118.06570	0.6
119.08570	7.7
121.06443	0.8
121.10144	4.0
123.11713	1.2
125.05916	0.6
129.06969	1.4
130.07738	1.5
131.08569	12.3
133.10132	14.0
135.08026	0.8
135.11656	3.2
141.07001	0.6
143.08536	1.4
145.10120	23.2
147.11691	4.1
149.13226	1.6
157.10114	1.4
159.08067	1.5
159.11681	10.1
161.09602	1.3
161.13257	1.6
163.11075	0.6
163.14815	0.7
167.93861	0.6
171.11794	0.7
173.09595	1.6
173.13246	6.6
175.14818	0.6
177.09114	1.7
177.16351	0.5
179.10645	2.9
186.13896	1.2
187.07448	0.8
187.11253	0.9
187.14732	0.9
191.10678	2.5
192.56076	0.5
201.16373	100.0
202.16745	2.5
203.17998	2.0
204.17401	0.8
205.12260	0.8
219.17410	4.6
229.12186	0.6
229.15941	1.6
247.16917	19.1
247.20692	1.1
247.24152	1.9
248.05763	0.6
248.17398	0.9
248.20078	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	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03949	0.6
53.23418	0.4
53.52943	0.4
55.05496	1.3
59.39682	0.5
62.79197	0.4
64.99870	0.4
67.05489	1.3
69.07054	4.5
71.58341	0.6
79.05478	2.0
81.07051	3.3
83.08608	0.6
91.05456	3.3
93.07035	3.9
95.04909	0.6
95.08596	4.0
98.98455	0.7
105.07019	8.2
107.04893	0.4
107.08581	5.8
109.06506	0.4
109.10140	1.6
116.13873	0.4
117.07013	1.9
119.08570	6.7
121.10126	2.5
129.06999	0.7
130.07756	0.7
131.08559	10.3
133.10123	13.9
133.53314	0.4
139.07463	0.6
143.08488	0.7
144.09344	0.7
145.10110	22.4
146.10732	0.6
147.11662	2.6
157.10056	0.7
159.11658	9.1
161.09616	0.6
161.13303	1.2
163.11076	0.6
173.09628	0.8
173.13260	5.5
175.14873	0.5
179.10677	3.4
186.14017	1.6
191.10617	2.3
199.14795	0.9
201.16362	100.0
202.16774	2.1
203.17897	1.7
204.34523	0.4
219.17412	3.4
229.15685	1.0
247.16908	14.9
248.17570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05508	2.5
56.96550	0.5
57.07071	0.8
65.03929	0.5
67.05493	3.6
69.07066	5.8
71.08627	0.6
71.57794	0.8
72.08147	0.9
79.05489	4.1
81.03419	0.5
81.07053	6.6
81.56626	0.4
83.04978	0.7
83.08608	1.1
91.05469	5.5
93.07031	9.2
93.07555	0.8
95.04953	1.3
95.08600	8.2
96.05836	0.4
105.07021	11.4
105.07683	1.0
107.08582	10.2
109.06519	0.6
109.10142	3.3
111.08139	0.4
117.07028	3.2
118.11972	0.5
118.53109	0.5
119.08572	7.6
121.02873	0.5
121.06480	1.7
121.10148	4.6
123.08028	0.6
123.11748	0.7
123.40096	0.4
129.07005	0.9
130.07782	0.9
131.08566	12.4
133.10124	14.1
135.08008	0.9
135.11679	1.8
137.06068	0.5
137.09596	0.9
143.08540	1.0
144.09201	0.5
145.10120	21.9
145.11292	1.0
146.10678	0.5
147.08063	0.5
147.11674	3.9
149.09622	1.2
149.13240	1.6
151.11099	0.6
155.08430	0.6
157.10126	1.2
159.08014	0.8
159.11678	10.3
161.09610	1.0
161.13217	1.7
163.07509	1.1
163.14813	0.6
165.09087	0.7
171.11661	0.5
173.09570	1.7
173.13260	6.4
175.14795	0.7
176.14287	0.5
177.09023	0.9
179.10661	2.8
185.13293	0.5
186.13968	1.3
187.07529	0.5
187.11224	0.7
187.14790	1.1
191.10657	2.5
191.17973	0.5
201.16368	100.0
202.16721	2.1
203.17920	1.7
211.14818	0.8
219.17421	3.2
229.12396	0.4
229.15776	2.4
229.19453	1.0
230.15363	2.1
247.06215	0.7
247.09599	0.7
247.13162	0.9
247.16905	19.0
247.20557	2.2
247.24211	1.3
248.16498	0.7
248.20108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.96550	0.5
57.07071	0.8
65.03929	0.5
67.05493	3.6
69.07066	5.8
71.08627	0.6
71.57794	0.8
72.08147	0.9
79.05489	4.1
81.03419	0.5
81.07053	6.6
81.56626	0.4
83.04978	0.7
83.08608	1.1
91.05469	5.5
93.07031	9.2
93.07555	0.8
95.04953	1.3
95.08600	8.2
96.05836	0.4
105.07021	11.4
105.07683	1.0
107.08582	10.2
109.06519	0.6
109.10142	3.3
111.08139	0.4
117.07028	3.2
118.11972	0.5
118.53109	0.5
119.08572	7.6
121.02873	0.5
121.06480	1.7
121.10148	4.6
123.08028	0.6
123.11748	0.7
123.40096	0.4
129.07005	0.9
130.07782	0.9
131.08566	12.4
133.10124	14.1
135.08008	0.9
135.11679	1.8
137.06068	0.5
137.09596	0.9
143.08540	1.0
144.09201	0.5
145.10120	21.9
145.11292	1.0
146.10678	0.5
147.08063	0.5
147.11674	3.9
149.09622	1.2
149.13240	1.6
151.11099	0.6
155.08430	0.6
157.10126	1.2
159.08014	0.8
159.11678	10.3
161.09610	1.0
161.13217	1.7
163.07509	1.1
163.14813	0.6
165.09087	0.7
171.11661	0.5
173.09570	1.7
173.13260	6.4
175.14795	0.7
176.14287	0.5
177.09023	0.9
179.10661	2.8
185.13293	0.5
186.13968	1.3
187.07529	0.5
187.11224	0.7
187.14790	1.1
191.10657	2.5
191.17973	0.5
201.16368	100.0
202.16721	2.1
203.17920	1.7
211.14818	0.8
219.17421	3.2
229.12396	0.4
229.15776	2.4
229.19453	1.0
230.15363	2.1
247.06215	0.7
247.09599	0.7
247.13162	0.9
247.16905	19.0
247.20557	2.2
247.24211	1.3
248.16498	0.7
248.20108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
56.96548	2.1
57.07051	1.2
60.52157	0.6
64.70058	0.6
67.05510	3.5
69.07069	5.5
69.23159	5.2
69.23586	1.9
72.08125	0.8
79.05495	4.9
81.07067	5.8
82.43557	0.7
83.05013	1.0
83.08596	0.7
91.05479	6.5
93.07040	6.9
95.04943	1.1
95.08598	6.4
96.30256	0.6
98.98470	0.9
105.07030	10.9
107.04980	0.6
107.08596	9.3
109.10149	2.6
115.05449	0.7
116.84846	0.5
117.06979	2.8
119.08580	8.6
121.06462	1.3
121.10118	3.7
123.03810	0.6
123.08091	0.7
126.38681	0.6
126.39848	0.6
129.06973	1.0
130.07779	1.4
131.08568	12.7
133.10127	15.3
135.08040	3.5
135.11722	1.3
143.08546	1.1
145.10123	23.1
147.11626	2.8
149.09604	0.8
157.10124	0.8
159.11682	7.6
161.09694	1.0
161.13228	1.4
165.09143	0.6
169.05231	1.2
171.11728	1.2
173.09576	0.8
173.13242	6.2
177.00829	0.6
177.09087	1.0
179.10715	2.0
186.13997	2.1
187.14914	0.8
191.10632	1.7
201.16380	100.0
202.16649	3.1
203.17943	2.0
219.17442	3.4
229.15915	1.4
229.19489	1.1
247.16927	17.6
247.20575	2.2
247.24474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05499	1.7
57.61828	0.4
59.74080	0.4
67.05489	2.0
69.07067	4.6
79.05476	1.8
81.07049	3.2
83.08584	0.4
91.05479	3.1
93.07034	4.4
95.08619	4.3
95.93454	0.4
105.07025	8.9
107.08578	5.3
109.10162	1.2
117.07005	2.1
119.08565	5.4
121.10122	2.4
130.07765	1.0
131.08559	10.5
131.52077	0.4
133.10121	12.7
135.11702	0.5
143.08565	0.7
144.09270	0.4
145.10112	20.9
146.10796	0.4
147.11703	2.3
155.33931	0.4
157.10100	0.6
158.10899	0.7
159.11687	9.0
161.09622	0.5
161.13199	1.4
167.32466	0.4
171.11633	0.9
173.09599	0.9
173.13277	5.5
175.14806	0.7
177.09085	0.9
179.10652	2.8
186.14056	1.9
191.10640	1.6
199.14838	0.8
201.16374	100.0
202.16695	2.6
203.17932	2.1
209.42311	0.4
219.17430	3.2
229.15872	0.9
229.38106	0.6
247.16930	14.9
247.20750	0.6
247.24318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03932	0.6
55.05505	2.1
57.07064	0.9
65.03931	0.5
67.05504	4.9
68.18680	0.4
68.78563	0.4
69.07063	5.0
69.92995	1.6
69.93403	0.9
79.05493	6.1
79.44861	0.4
81.07053	8.1
81.14182	0.4
83.08603	0.8
91.05479	5.6
93.06476	0.8
93.07034	10.6
95.04960	1.3
95.08609	7.3
97.06496	0.7
98.98486	2.3
98.99030	0.5
105.07026	9.9
107.08584	10.5
109.06544	1.1
109.10164	2.9
111.08080	0.7
115.05427	0.6
117.07024	3.1
119.08577	7.3
121.06494	0.5
121.10145	5.8
123.08068	0.6
123.11677	0.6
129.06964	0.8
130.07784	0.9
131.08559	12.1
133.10127	13.3
135.11691	3.8
143.08481	0.5
144.09309	0.5
145.10112	23.4
147.11673	4.2
149.06044	0.6
149.09619	0.8
149.13281	2.7
157.10089	0.9
158.10960	0.4
159.10454	0.8
159.11681	9.9
161.09554	0.5
161.13246	2.3
163.11215	0.5
163.14868	0.8
171.11603	0.8
173.09673	0.7
173.13266	6.6
177.09079	0.5
179.10675	2.6
186.14006	1.5
187.14832	0.9
188.20268	0.5
191.10637	2.0
199.14847	0.6
201.16368	100.0
202.16704	2.6
203.17949	1.7
209.51891	0.4
219.17442	3.9
229.15903	1.0
229.19489	2.9
247.06047	0.6
247.13104	0.7
247.16919	15.8
247.20551	6.1
247.24338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05495	1.3
56.96534	0.6
57.07061	0.9
59.22458	0.5
67.05493	2.5
69.07063	5.3
70.19746	2.2
72.08142	0.5
79.05496	3.6
81.07050	4.5
83.08601	0.9
91.05474	4.3
91.77828	0.5
93.07040	6.3
95.04971	1.1
95.08601	6.7
105.06382	0.9
105.07027	9.9
107.08585	7.1
109.06509	0.8
109.10147	2.1
117.07009	2.4
119.08578	6.2
120.08064	0.5
121.06488	0.8
121.10168	3.3
129.06918	0.6
130.07727	0.7
131.08553	12.2
133.10130	15.4
134.10452	0.6
135.11668	1.4
143.08582	1.2
144.09332	1.2
145.10115	26.8
146.10544	0.6
147.11655	2.8
149.09584	0.7
149.13220	0.8
157.10114	1.1
158.10851	0.6
159.08046	0.8
159.11687	9.1
161.09613	1.1
161.13240	2.0
163.07584	0.7
163.14777	0.5
171.11691	0.9
173.09624	1.4
173.13261	5.5
177.09134	0.8
179.10701	2.6
186.14020	2.0
186.16838	0.6
187.11148	0.8
187.14688	0.7
191.10645	1.9
197.43242	0.5
201.16370	100.0
202.16685	2.3
203.17932	2.2
219.17439	4.0
229.15965	0.9
229.19426	0.6
247.02222	0.6
247.05943	0.6
247.14499	1.0
247.16919	18.0
247.20555	1.4
247.24431	1.0
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
53.03937	0.7
55.05496	2.4
57.03424	0.6
57.07076	1.0
65.49445	0.6
67.05502	4.0
69.03427	1.0
69.07060	6.3
70.13097	3.5
79.05491	4.8
81.07046	7.6
83.04979	0.9
83.08607	1.2
86.57580	0.6
91.05482	8.3
93.07043	8.9
95.04947	1.9
95.08612	6.1
98.98447	1.7
103.05393	0.8
105.06385	1.0
105.07032	12.1
107.08581	9.2
109.06502	2.2
109.10139	2.6
117.07007	2.8
119.08575	7.7
121.06506	1.7
121.10154	5.0
123.08042	0.9
127.51566	0.6
130.07768	1.5
131.08569	12.4
133.10132	15.8
135.08014	0.9
135.11679	2.0
143.08507	1.2
144.09241	0.6
145.10120	26.0
146.10902	0.8
147.11687	4.4
149.05936	1.0
149.09604	1.0
149.13182	1.1
151.11113	0.9
158.10854	0.9
159.11673	10.9
161.09634	1.2
161.13278	2.0
163.07477	0.8
163.11249	0.9
163.14795	0.7
163.94206	0.6
169.77498	0.6
171.11647	0.9
173.09619	1.8
173.13261	6.7
173.43950	0.6
175.14859	0.7
176.14268	0.7
179.10622	2.0
186.14050	1.8
187.14833	1.4
189.12761	0.7
191.10655	1.8
201.16374	100.0
202.16783	3.1
203.17969	1.7
219.17438	4.5
229.15915	1.8
229.19620	1.4
247.16914	17.3
247.20549	4.9
247.24617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05495	1.3
56.92699	0.5
67.05480	1.8
69.07060	5.2
71.58064	1.3
79.05479	3.3
81.07050	4.3
83.08594	0.6
83.31139	0.6
91.05453	3.8
93.07047	5.0
95.04979	0.8
95.08607	4.1
105.07010	10.6
107.08599	6.9
109.06538	0.9
109.10135	2.1
117.06964	3.5
119.08590	7.6
120.65021	0.6
121.10143	3.4
129.06970	0.6
130.07767	0.9
131.08548	11.2
133.10124	12.0
135.11647	1.1
143.08551	0.8
144.09306	0.8
145.10103	23.4
147.11693	3.8
149.09535	0.6
149.13257	0.6
157.10136	0.9
159.11665	9.7
161.09604	0.9
161.13240	1.3
171.11644	0.7
173.09619	1.3
173.13251	6.7
177.12694	0.6
179.10721	3.3
186.13991	1.4
187.14722	0.8
191.10637	2.0
193.12222	0.7
199.14803	0.7
201.16364	100.0
202.16705	2.3
203.17941	2.3
219.17497	3.3
229.15826	0.9
229.19530	0.8
243.16713	0.7
247.16899	15.0
247.19730	0.9
247.20581	1.1
266.91211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03924	5.4
55.01862	2.2
55.05497	6.2
57.03404	2.2
57.07062	2.0
60.04524	1.6
65.03931	2.8
67.05511	7.5
69.03081	2.3
69.03428	23.1
69.07047	2.4
70.25440	4.5
71.89645	1.5
72.04518	2.9
72.08143	1.5
79.05495	9.7
81.07047	11.1
83.04980	22.8
91.05479	21.9
93.03384	4.1
93.07053	13.7
95.04948	6.6
95.08613	2.1
97.02898	7.6
102.05532	4.6
103.05479	1.9
105.07050	14.1
107.04958	3.1
107.08595	17.0
107.56830	1.6
109.02888	9.8
109.06526	9.1
109.10171	3.0
111.04443	5.0
111.08052	2.1
115.05444	5.8
115.44256	1.8
116.06174	2.5
117.07037	13.7
118.06539	2.0
119.08592	15.1
120.08117	1.7
121.02842	3.2
121.06494	16.1
121.09332	1.6
121.10133	6.8
122.07301	1.5
123.08064	2.8
125.51672	1.5
128.06221	2.8
129.06976	6.3
131.08553	18.8
132.05705	2.3
133.06456	2.9
133.10159	8.1
135.08054	30.0
135.11662	1.5
137.05962	3.9
137.09608	3.5
138.97638	1.4
139.03807	1.9
141.06972	5.9
142.07829	2.4
142.58589	1.5
143.08617	8.9
144.09341	9.0
145.06512	18.2
145.10149	12.2
147.08057	5.8
149.09627	25.6
150.10332	4.2
151.11176	4.8
153.07039	1.9
153.09053	2.9
155.08519	7.1
157.06427	1.7
157.10133	4.1
158.07281	3.8
158.10942	9.3
159.08052	11.2
159.11687	27.4
160.08809	7.1
161.09598	4.5
163.03825	2.1
163.07552	19.7
163.11195	3.9
165.09143	1.8
168.09306	4.2
169.10091	5.6
170.10872	7.0
171.08002	7.7
172.08827	21.0
173.05942	2.1
173.09628	33.8
173.13263	29.9
176.14319	10.8
177.09137	1.5
177.12781	1.7
181.06560	2.3
183.11739	10.4
185.09523	2.6
185.13242	1.8
186.10393	20.5
187.11182	100.0
188.11691	3.0
189.12755	1.7
191.07031	45.4
196.08815	6.1
201.12743	48.7
205.12207	6.2
211.11189	11.0
214.09859	3.9
219.13733	4.1
229.12227	58.6
247.06029	1.9
247.13277	71.1
247.18422	12.8
248.13496	2.7
248.20035	3.7
257.90588	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	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03931	3.2
55.05519	7.0
57.07053	2.3
59.04967	1.5
62.58013	1.4
65.03927	4.9
67.05494	7.1
69.03084	1.7
69.03424	22.0
69.07052	2.6
71.02254	3.6
72.73660	1.4
79.05486	10.0
81.07054	10.0
82.90824	1.4
83.04974	25.8
91.05476	17.4
93.03391	5.6
93.07037	15.9
95.04947	5.9
95.08575	4.5
97.02889	10.8
103.05476	2.5
105.07024	16.1
107.04924	2.1
107.08595	16.7
109.02892	9.0
109.06503	13.1
109.10140	4.7
111.04403	4.4
111.08103	1.8
115.05453	5.3
116.06206	1.6
117.07010	14.3
119.08594	15.3
121.02847	3.1
121.06510	14.2
121.10129	7.0
123.08038	4.4
128.06227	3.6
129.06972	6.6
130.07768	2.5
130.59999	1.5
131.08548	17.9
132.05692	3.3
133.06471	2.0
133.10107	10.0
135.08051	37.4
135.11632	2.8
137.05946	3.7
137.09581	3.6
139.03857	2.8
141.06970	3.1
142.07806	3.8
143.08553	11.2
144.05650	1.9
144.09331	10.8
145.06468	15.2
145.10130	13.7
146.07227	2.2
147.08034	5.2
149.05928	2.1
149.09618	22.7
149.13206	1.7
150.10349	3.3
151.07480	2.2
151.11125	4.0
153.06952	4.1
153.09058	3.9
155.08521	4.3
157.10106	3.8
158.07199	2.2
158.10933	10.0
159.08063	11.6
159.10478	2.0
159.11696	28.1
160.08830	6.1
161.09674	6.8
163.07518	19.5
163.11165	3.0
168.09314	5.6
169.09999	3.0
170.10870	4.4
171.08072	8.0
172.08830	22.2
173.06030	2.4
173.09613	33.1
173.13246	28.6
175.07507	3.3
183.11673	10.4
185.09602	1.8
185.13278	1.5
186.10400	22.0
187.11174	100.0
189.09032	2.5
191.07030	54.2
196.08881	8.5
201.12721	49.4
201.16454	1.8
203.14392	3.3
205.12210	6.3
211.11217	10.6
214.09891	4.5
219.13777	5.6
229.12219	62.7
247.13271	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99829	0.9
55.05502	1.9
56.05029	1.2
57.82334	1.0
70.06573	1.9
70.69655	3.5
71.04967	1.1
72.08149	15.6
84.04498	1.3
84.08109	1.2
86.09684	4.8
89.70934	1.0
97.82506	1.0
98.06012	1.9
109.32274	0.9
114.06612	1.6
116.89642	0.9
119.01884	1.9
121.01612	1.5
130.05029	1.2
133.03410	1.4
133.06039	1.2
144.06485	1.1
148.06036	2.6
162.76248	1.1
167.03163	1.5
186.72415	1.0
196.96364	1.2
203.10306	1.2
215.11473	1.7
217.25845	1.0
229.00929	2.1
229.03186	34.0
247.04250	100.0
255.30222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.5
65.39711	1.2
71.54214	2.5
72.08146	11.6
84.04502	1.5
86.09702	4.1
88.04027	1.5
91.30958	1.3
93.92516	1.3
119.01895	2.9
143.80135	1.2
144.51990	1.2
148.06020	3.2
161.97980	1.4
167.03104	1.8
169.01031	2.0
187.02138	1.8
201.12273	1.6
229.03174	40.5
247.04250	100.0
247.13673	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	247.1077
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
70.52072	4.4
88.03973	1.1
110.94511	1.0
115.05448	4.4
117.05725	2.4
117.07021	1.9
118.06534	22.7
122.05940	1.0
130.06519	41.0
130.07504	2.0
132.08087	35.9
142.06511	9.6
143.07280	2.3
144.08076	10.3
146.06004	48.7
156.08038	1.7
158.08369	2.3
159.09171	100.0
160.07576	7.0
160.09502	2.2
169.07608	4.3
170.05994	24.6
183.09149	3.2
184.07562	3.0
187.08672	9.1
188.07057	80.4
201.10217	42.4
205.09731	9.2
209.21983	1.1
229.09726	3.9
230.08217	2.1
247.10773	1.6
247.13174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05506	1.8
56.05028	3.8
56.96563	97.1
57.03435	1.4
58.81883	1.1
61.02925	1.6
69.03428	1.5
69.07049	3.3
70.02940	1.5
70.06596	18.4
70.98114	22.6
71.04996	1.5
71.07249	1.0
71.07604	3.1
72.04509	1.4
72.08147	10.7
73.02922	1.2
74.02431	2.4
74.06085	1.4
74.97603	11.0
79.05469	2.1
79.23473	1.3
83.04978	1.2
84.04517	5.5
84.08118	6.8
84.96030	3.0
85.02891	3.2
86.09700	28.4
87.05580	2.4
88.03981	5.1
88.99156	31.0
91.05462	1.3
92.98640	4.8
93.07039	1.1
97.06526	2.3
97.99174	2.1
98.06042	4.5
98.97568	8.3
98.98488	1.1
100.99138	2.4
102.05570	2.0
103.30331	1.0
107.00204	20.0
107.04931	1.2
107.88546	1.1
110.02441	1.1
110.07155	1.9
110.97567	1.6
114.06653	2.5
116.07108	1.1
116.98612	9.3
117.01858	1.4
118.08679	1.3
119.00179	3.9
119.01819	1.3
121.10090	1.3
125.01214	2.6
126.05540	1.4
127.03864	1.2
128.07063	2.1
128.98602	6.0
129.10234	2.2
130.08659	1.5
132.10210	4.9
133.01619	1.3
133.06102	3.0
134.74568	1.0
134.99667	11.0
135.00670	1.7
141.10223	2.2
142.08580	1.3
144.06551	3.5
144.98073	4.0
146.99646	35.1
150.05479	1.4
153.00656	2.1
157.09789	1.7
158.99672	2.0
159.03331	2.9
161.01248	2.2
161.02794	1.2
162.99133	12.1
163.02760	1.2
165.00713	100.0
166.01160	1.5
166.08679	2.2
166.98608	1.4
170.01170	2.6
174.99283	2.0
177.00713	3.0
177.04346	6.3
181.00188	10.4
183.01762	19.0
186.99203	2.1
187.10841	1.8
188.02391	5.4
193.00224	6.1
199.01279	2.1
201.12354	2.9
203.10255	1.2
205.00192	24.7
205.01949	2.5
205.03647	1.7
206.03464	1.3
215.11349	1.6
223.01227	49.9
223.04791	2.1
226.29819	1.1
228.01834	3.3
241.02335	6.0
246.02861	4.5
247.13493	3.2
265.02499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63906	0.3
55.05506	0.4
56.34617	0.2
56.96561	0.3
57.07074	0.6
67.05489	0.3
69.28291	2.7
70.06586	1.0
71.08629	0.7
81.07031	0.4
88.07629	1.0
90.04571	0.3
93.07076	0.2
98.97616	0.3
102.09191	0.3
105.07034	0.3
106.08664	0.5
117.07051	0.4
118.06540	9.7
118.07359	0.5
119.07342	0.3
119.08549	0.3
119.77859	0.3
120.08133	0.3
121.08836	0.2
121.10201	0.2
131.08578	0.6
132.08080	3.3
133.08856	1.5
134.09695	0.5
145.10149	0.3
146.09610	3.1
173.13213	0.3
176.14343	49.4
177.14749	0.7
188.14308	0.7
201.16315	0.8
202.15846	1.2
203.16728	0.7
216.17554	0.7
228.23254	0.5
246.22156	100.0
246.24248	5.1
247.16983	0.4
247.22478	2.9
247.24779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35604	0.4
53.48140	0.4
55.51051	0.3
56.05037	0.6
56.96542	0.5
58.06584	0.4
66.53715	0.4
69.07063	12.1
70.06584	0.4
70.08351	0.3
70.53957	0.8
70.54339	1.0
72.94573	0.3
80.05023	0.8
86.09701	100.0
87.10026	1.0
98.97580	1.0
105.07007	0.5
107.05004	0.4
107.08605	0.4
111.45178	0.3
116.98642	0.9
130.06528	0.6
132.08052	0.4
132.10205	1.6
133.10080	0.3
142.03215	1.8
151.02174	0.3
157.07573	1.0
158.06032	0.7
170.02765	0.6
171.48473	0.3
173.63922	0.4
199.18007	0.4
245.18697	1.8
259.09686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.66780	0.3
58.87306	0.4
69.07064	0.6
70.63141	1.2
78.64027	0.3
86.09706	100.0
87.10038	0.6
95.08615	0.6
132.10201	3.1
142.03223	1.4
160.50862	0.4
168.92694	0.4
170.02658	0.4
186.11308	0.6
199.18159	1.0
245.16354	0.3
245.18578	2.4
261.63147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43429	0.3
55.05515	0.4
56.96519	0.2
57.07076	1.3
62.24642	0.2
70.06593	2.2
70.10925	0.5
70.11343	1.1
71.08615	1.1
82.10596	0.2
85.89213	0.3
88.07633	2.7
102.09171	0.8
105.07038	0.4
106.08671	1.3
118.06534	10.1
130.73222	0.2
132.08078	3.5
133.08868	1.7
133.09753	0.3
134.09627	0.9
146.09642	3.5
147.10393	0.4
160.11232	0.8
161.12010	0.3
176.14334	53.9
177.14688	1.1
184.05466	0.3
184.20618	0.4
185.90036	0.2
188.14366	1.1
201.16379	1.0
202.15866	1.3
203.16687	0.6
216.17516	0.8
228.23172	0.8
246.22134	100.0
246.24315	12.0
247.22461	3.2
247.24701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75089	1.8
53.03928	2.2
55.05514	17.2
56.05027	7.2
56.96557	7.3
57.03420	2.9
57.07072	18.3
67.05500	3.4
68.04983	2.0
69.03384	2.5
69.07061	10.8
70.06309	1.7
70.06591	18.3
71.57568	2.8
72.08138	4.8
75.48436	1.7
76.67081	1.9
79.05506	3.1
81.07040	4.1
82.06569	3.6
83.04973	4.9
84.04478	5.9
84.08128	6.8
84.39495	1.8
85.02903	2.4
86.09700	96.5
87.05578	8.1
87.08102	100.0
91.05465	6.1
93.07024	4.9
96.04488	3.5
98.06071	2.8
98.97554	3.1
100.03978	10.6
105.07030	6.5
107.08547	3.9
108.08093	4.3
110.09663	2.9
111.04420	4.7
113.07128	10.4
114.05510	9.2
116.98626	2.3
124.07635	3.2
126.56728	2.2
129.06949	2.1
129.10245	3.5
131.08531	6.1
132.10179	2.5
133.10117	3.5
139.03899	3.2
142.03224	5.0
142.04996	20.3
145.06532	2.1
158.07034	2.1
159.07668	30.0
164.11458	1.9
173.13326	2.2
191.14244	2.4
195.00804	2.1
196.09717	4.7
209.08040	2.6
213.10599	2.4
213.12331	15.2
217.04956	2.0
233.70660	2.1
245.04425	14.4
245.18704	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	245.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.9
69.07056	2.2
70.06569	3.0
71.04994	1.2
79.05511	2.2
81.07053	5.6
84.08140	1.1
85.02901	5.8
85.06534	2.5
86.09702	100.0
87.10051	1.0
91.05479	4.6
92.21564	1.0
93.07019	5.5
95.08597	3.1
98.97549	2.0
99.08051	1.0
103.05482	1.0
105.07030	14.5
107.08582	2.7
109.10144	1.2
116.98619	1.2
117.06966	1.0
119.08587	6.7
121.10140	4.0
130.06532	6.0
131.08560	8.3
132.08073	1.2
132.10214	4.7
133.10118	18.6
134.99606	1.4
135.11700	1.4
142.03239	4.6
145.10088	3.3
147.11623	2.5
149.13246	1.5
151.11188	5.7
157.07613	6.3
157.89534	1.0
158.06003	2.2
159.04791	1.0
159.09184	2.0
161.13254	6.8
163.03824	1.1
163.14932	2.2
173.13242	9.6
179.14244	2.4
191.14258	9.5
199.18068	3.1
203.08160	5.7
209.15411	2.4
215.33762	1.0
229.25603	1.1
245.09314	1.6
245.18724	2.3
246.16969	1.2
259.89615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1171
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.03926	6.0
55.01862	6.4
55.05502	5.2
55.99763	1.8
56.96544	5.7
57.03445	2.0
58.63514	1.4
62.55485	1.8
65.03924	3.5
67.05502	8.9
69.03080	3.1
69.03426	34.5
69.07065	4.9
70.31290	1.7
70.49306	3.7
70.49712	3.4
79.05492	8.7
81.07046	11.9
83.08615	2.3
85.02898	2.0
86.09704	8.9
87.04456	4.2
91.05476	23.5
93.07042	12.3
95.04952	9.6
95.08593	5.6
97.02891	13.9
97.06496	2.9
97.10147	2.4
98.97570	5.9
103.05474	1.9
105.07030	21.2
107.04980	2.8
107.08595	13.3
109.02856	11.5
109.06515	6.9
109.10109	2.7
111.04431	5.6
115.05452	7.6
116.06191	3.3
116.98625	6.3
117.07001	7.1
119.08582	22.0
120.08076	1.7
121.06500	13.1
121.10128	4.3
123.04422	7.4
123.08032	2.7
125.05996	2.0
125.09641	2.4
126.08310	2.2
128.06233	16.4
129.07001	20.7
131.04881	3.8
131.08580	15.9
133.06468	4.1
133.10080	7.7
134.99663	6.0
135.08043	28.2
137.05998	2.3
141.06964	21.3
142.03223	4.2
142.07779	29.6
143.08551	31.6
144.05800	2.2
144.09244	2.7
145.06490	12.1
145.10141	8.1
146.07263	4.9
147.08044	13.3
147.11673	3.9
149.01244	3.1
149.05911	1.8
149.09604	7.8
152.06183	2.7
153.06963	8.2
154.07698	2.3
155.08531	9.5
156.09337	47.0
157.06474	7.2
157.10110	33.4
158.07262	11.0
158.99657	2.7
159.08060	16.5
159.11670	7.4
161.05930	2.6
161.09587	4.8
161.13313	1.9
163.07533	4.2
165.06908	11.0
166.07802	18.7
167.08502	5.6
168.09300	5.6
169.06493	18.9
169.10129	3.1
170.07248	8.0
171.08032	24.1
171.11676	29.2
172.08745	5.1
173.06000	2.3
173.09604	8.0
173.13245	3.5
174.06651	2.2
175.07558	9.3
175.11203	2.5
177.00722	2.4
181.10130	11.7
183.08022	6.8
183.11707	4.2
184.08817	33.0
185.05983	3.3
185.09605	56.5
185.13191	2.6
186.10434	10.2
187.07549	4.7
187.11183	3.7
187.14851	2.3
188.08290	2.3
189.09093	5.5
189.12671	2.8
197.05971	5.8
197.09514	2.5
199.07422	2.7
199.11172	80.8
201.12720	5.0
202.09857	3.0
203.10657	27.3
209.09633	12.6
212.08307	18.6
215.10768	3.3
217.08569	2.1
217.12195	12.1
221.77998	1.8
227.10674	48.6
227.29863	2.1
230.09332	2.2
245.08049	6.2
245.11717	100.0
245.15424	4.4
245.18932	5.3
245.22610	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1132
Annotation	Palythine
Peak:m/z	Relative Intensity
55.05506	2.3
56.05015	3.3
56.96546	2.8
57.03424	1.1
58.02992	0.8
59.24572	0.8
62.83556	0.9
65.03936	1.2
67.05502	2.5
68.05014	2.3
69.07056	3.2
70.06587	4.5
71.09502	2.1
72.08151	1.4
75.69976	1.0
79.05479	1.3
80.04958	0.9
81.03397	1.2
81.07042	1.8
82.06594	1.4
83.06121	0.8
84.04509	8.7
84.08140	40.6
85.02872	1.7
85.04066	0.9
85.08453	1.4
86.06062	2.1
86.09697	5.0
87.05560	2.4
88.04028	1.0
91.05470	2.1
94.06539	8.1
95.04964	1.7
96.04501	1.1
96.08128	2.2
98.06015	1.0
100.07631	0.9
101.01724	4.7
102.05495	2.4
106.06564	2.4
109.07631	2.8
110.02389	1.2
110.06023	1.4
110.10697	1.0
112.07602	47.7
113.10774	1.7
114.05476	2.4
119.01885	1.4
119.53008	0.8
120.04455	4.0
121.07609	2.5
122.06004	4.7
123.06721	1.1
123.09204	5.8
124.07580	5.5
128.07057	1.9
129.10297	1.4
130.04958	4.4
130.06551	2.2
130.07768	1.4
130.08626	8.6
137.04649	1.3
137.07082	2.5
138.05502	10.6
138.09053	0.9
139.08649	10.9
140.07056	8.8
141.03726	0.8
141.07175	1.0
141.10229	4.4
142.03224	2.0
142.05013	3.5
147.02248	2.8
150.05467	1.6
155.11778	1.0
157.07610	2.4
158.08121	100.0
161.07132	4.2
163.08730	1.8
166.08626	2.1
168.05154	1.0
168.06595	2.9
173.03053	1.1
174.05786	1.0
181.09706	19.9
183.11369	1.0
184.09715	5.5
185.09215	44.3
186.07576	4.7
188.99132	0.9
199.08771	1.5
201.06902	1.1
201.12320	5.4
203.08337	1.9
203.10262	38.1
209.09261	1.8
212.09061	1.3
227.10257	80.2
228.10544	1.2
245.05132	0.9
245.09514	6.3
245.11662	1.5
245.15091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05507	2.5
55.51145	0.5
56.05025	0.6
56.96550	1.8
58.99574	0.5
67.05500	0.7
68.05010	1.3
69.07059	1.0
69.59740	3.7
70.06580	2.0
71.04995	1.1
72.08154	1.3
76.02209	1.3
79.05488	4.9
80.05017	1.4
81.05789	4.6
81.07058	5.7
82.06568	0.8
84.04492	4.0
84.08128	1.7
85.02888	1.0
86.06056	0.8
86.09714	2.3
90.56243	0.5
93.99408	0.5
94.06545	2.4
95.04951	0.5
96.04485	1.5
96.08130	16.7
97.06541	0.5
101.01733	7.5
102.05525	0.4
106.06558	3.4
110.09669	0.9
111.05575	0.5
114.03777	0.5
114.05543	1.4
119.01919	1.2
122.02681	1.3
122.06020	1.0
124.07588	100.0
125.07929	1.1
125.09666	0.5
129.07025	0.6
129.10223	0.7
130.05005	3.6
130.06532	1.8
134.99686	0.5
136.43163	0.4
138.09076	0.9
141.10214	0.8
142.03212	2.5
142.04988	1.2
145.06483	0.5
156.04767	11.1
157.07623	2.0
158.06007	1.6
158.08131	0.6
159.09187	1.0
166.08568	0.7
170.02716	0.7
171.04492	0.6
181.63515	0.5
184.09702	2.9
185.09169	0.5
199.03934	1.1
199.09006	6.8
201.12334	3.0
203.00044	0.5
203.08159	1.0
204.04323	3.8
212.09221	0.7
215.16983	0.4
217.08546	0.5
227.10268	1.0
228.06743	1.0
245.05786	0.6
245.09593	5.3
245.11681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05566	1.4
56.96545	5.0
62.39626	1.5
70.06596	3.8
70.53887	5.9
72.08147	3.6
74.02432	7.5
84.04523	2.2
84.08129	6.0
86.09686	2.1
116.56489	1.7
117.05757	20.1
129.07019	8.5
130.06519	48.1
130.07495	2.5
131.07310	7.4
143.07291	11.9
144.08064	16.1
154.06514	22.0
155.01701	2.0
155.06009	10.0
156.06833	1.6
156.08084	28.7
157.07596	25.6
158.06021	12.8
158.08353	6.9
159.09135	2.3
166.06512	1.8
167.07326	3.1
169.05275	8.2
169.07617	4.2
171.09167	33.0
181.07594	34.9
182.05960	5.0
182.08328	4.9
183.09152	14.8
185.07098	72.9
198.10274	29.6
200.07010	4.2
205.46968	1.6
209.07019	15.7
217.17749	1.7
227.08145	100.0
228.08394	1.8
244.10765	25.0
245.09169	2.0
246.63704	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	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.0
57.07063	3.4
62.97221	1.3
67.05179	1.7
67.05507	20.3
69.07054	6.3
69.21657	1.3
69.25907	10.0
69.26335	6.6
79.05492	12.6
80.83236	1.4
81.07057	20.6
83.08613	1.9
91.05479	21.4
93.07048	15.0
95.04984	1.6
95.08612	17.5
105.06375	2.3
105.07027	20.2
107.08624	11.6
109.10149	10.1
115.05470	1.8
117.07011	14.4
119.08575	16.5
121.10150	14.2
123.11699	2.9
129.07028	1.9
131.08577	40.1
133.10121	17.3
135.11693	9.9
137.13316	1.5
143.08646	1.7
145.09039	2.6
145.10126	32.3
147.11667	19.2
149.13257	4.9
151.20453	1.3
157.10114	2.0
159.11708	24.5
161.13268	21.8
164.76797	1.5
171.11725	2.2
173.13269	26.6
175.14839	4.4
187.14838	13.3
200.35057	1.6
201.16385	9.1
215.17931	4.1
219.68684	1.5
243.21091	100.0
243.28769	4.7
244.21422	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	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	1.8
55.05505	0.6
56.96572	0.5
57.79041	0.4
65.03934	4.0
67.05495	0.5
67.85329	0.3
68.99784	4.9
69.07060	0.9
71.04967	0.7
71.56444	0.7
73.57340	0.4
81.03414	1.1
81.07027	0.5
83.04967	0.4
84.08116	0.3
90.02357	0.3
91.05481	2.0
95.01339	0.5
95.04948	0.8
95.08593	0.8
97.06524	1.4
98.97586	0.8
101.08907	0.4
103.05478	0.4
103.44597	0.4
105.07030	0.7
107.04949	8.5
107.08562	0.7
109.06490	0.8
111.04421	1.3
115.05469	1.4
116.98631	0.6
117.03320	0.5
117.06989	1.5
119.04938	1.4
119.08578	1.3
121.02853	21.6
121.10033	0.5
123.08060	0.4
124.08361	0.5
129.06989	0.4
131.04900	1.8
131.08583	1.0
141.06984	8.5
144.05687	1.5
145.06468	1.8
146.54170	0.4
147.04404	3.7
147.08029	3.1
149.02327	99.5
150.02675	1.4
154.06847	1.7
157.06459	0.5
159.08044	1.6
167.03377	1.3
168.05704	0.6
169.06464	8.9
169.07813	0.6
173.05981	1.8
174.42200	0.4
177.05386	0.8
185.05972	1.1
186.99153	0.5
187.07541	2.8
189.09193	0.5
197.05939	12.7
197.07455	1.5
198.06555	0.6
200.04514	0.7
213.05450	1.0
215.07008	100.0
216.07425	2.4
218.79445	0.4
243.06462	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05495	1.4
56.05027	8.6
56.77938	0.9
56.96547	2.9
57.07071	0.9
64.72324	0.8
68.04651	0.9
68.05021	1.6
69.07048	3.4
70.06590	4.6
71.56664	1.6
72.08152	2.2
73.06552	0.9
74.02423	1.6
79.05492	2.6
80.04994	1.4
81.07035	2.4
82.75787	0.9
83.04995	0.9
83.06100	21.5
84.04498	95.1
84.06419	11.6
84.08153	4.6
85.02882	1.5
86.09698	100.0
87.10038	1.6
91.05460	7.8
94.06554	1.5
95.01318	2.6
95.04966	2.4
96.04525	1.7
97.06519	3.4
98.06026	1.0
98.97559	1.1
103.05445	0.9
105.07012	1.4
106.06502	1.1
107.04917	1.5
109.06524	1.6
110.07166	1.4
111.05552	1.0
111.06680	0.9
113.07144	1.1
114.05517	1.6
114.09104	1.5
115.05432	1.1
117.07056	1.3
118.06548	4.4
119.04925	11.8
120.08066	1.8
123.04431	2.0
123.08055	0.9
126.05568	1.2
129.06592	7.0
129.07585	2.0
129.10081	1.3
130.04955	2.1
132.10194	39.7
134.05988	1.8
134.09615	1.4
134.99677	1.6
136.07576	4.0
141.06671	3.5
142.04909	1.5
142.09741	1.3
145.06439	3.8
146.05972	1.0
147.04388	3.6
152.10684	3.8
154.08604	1.1
158.04497	1.5
159.07947	1.1
161.01114	1.1
161.10674	1.0
162.09158	0.9
164.07097	1.1
165.05467	1.7
169.06430	2.7
173.05917	1.8
173.13385	1.2
180.10233	1.6
181.04984	1.3
182.08104	2.5
184.05161	3.0
185.05907	1.2
187.07547	1.0
195.06221	1.0
197.05971	17.6
197.12854	34.0
197.14668	3.1
198.11264	1.2
201.05577	1.0
215.06993	7.0
225.12309	4.3
226.10686	2.3
243.04454	1.7
243.06734	4.5
243.13402	6.9
243.15643	7.6
244.08189	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.6
70.01949	0.6
71.95261	0.4
77.57806	0.1
82.99921	0.2
98.97581	5.2
99.80552	0.1
99.97886	0.2
100.97203	0.2
101.00863	1.4
116.98623	7.6
117.98963	0.2
118.98199	0.4
119.01920	16.3
120.02036	0.3
134.99667	8.9
136.00018	0.2
136.99228	0.3
137.00146	0.2
137.02957	7.6
138.03104	0.2
140.00227	0.2
140.98839	0.4
142.03534	0.5
153.00783	2.9
158.01308	0.5
158.99884	1.6
160.04512	0.1
165.99646	0.2
173.01169	0.2
175.03035	0.3
177.00952	32.0
178.01035	1.8
179.00749	0.3
182.99765	0.8
189.00662	0.2
193.04112	0.7
195.01949	1.1
197.00616	0.2
200.02609	0.8
201.00929	1.3
201.02399	0.3
215.01762	0.2
217.04103	3.5
218.03532	0.7
219.02003	33.1
220.02136	2.4
221.01805	1.0
222.01932	0.2
225.00838	2.1
232.96684	0.2
235.99858	0.3
236.99428	0.3
238.03329	0.2
242.03593	1.1
243.01949	5.9
244.02184	0.3
260.04593	0.3
261.03055	100.0
262.03210	4.0
263.03500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51887	1.5
51.49502	1.7
53.43162	1.8
55.01866	2.7
56.05033	3.2
56.96569	10.4
57.03431	6.3
57.07066	1.5
58.06599	18.7
59.06937	9.3
61.02916	5.5
62.89510	1.6
69.03434	3.9
69.58208	2.4
69.58615	11.1
70.06595	5.9
71.01344	3.1
72.93783	5.3
73.02922	4.0
73.11710	1.8
76.04004	2.1
81.03422	4.1
82.06580	2.8
83.06098	29.7
83.06547	2.9
84.04518	5.4
84.08146	9.4
85.02908	6.6
85.08507	4.2
86.06067	2.3
86.09711	2.7
87.04482	2.9
90.94795	2.6
96.04507	1.9
97.02874	4.1
98.20721	2.2
98.97575	4.0
101.02399	4.8
104.96387	1.9
110.06058	2.2
110.07191	5.3
113.96418	5.2
115.03928	4.4
116.98670	3.8
119.01926	2.9
129.01860	5.3
129.11066	2.9
131.01865	1.9
131.97487	5.8
132.02049	1.9
132.05032	2.7
133.01591	2.6
133.03444	3.7
134.99669	3.3
140.00497	1.9
143.03395	4.3
148.04744	2.0
151.04533	3.7
157.01366	4.1
161.03117	2.2
161.04430	2.4
169.10498	2.0
189.03943	16.0
196.14531	2.9
197.10039	7.3
219.01758	2.9
224.08997	2.5
227.95917	4.1
242.10188	7.6
242.15785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.05498	1.3
56.96562	19.9
57.03444	4.2
58.06347	0.7
58.06592	8.3
59.06920	1.1
61.02924	5.7
62.06596	0.6
63.87160	0.6
69.03400	2.3
69.84267	0.5
70.06586	20.6
70.98118	3.3
71.06940	0.7
71.57003	0.6
72.08175	3.2
73.02908	7.2
73.04041	1.1
74.97593	0.8
76.80992	0.6
81.03376	0.7
82.06133	0.8
82.06579	12.6
83.06066	1.8
84.04484	1.6
84.08131	4.1
84.96015	0.8
85.02905	4.6
85.08461	0.7
86.06067	17.6
86.09677	1.6
87.04440	1.8
88.99136	2.3
89.00740	0.9
95.01324	1.1
95.06061	0.9
97.02865	1.5
97.07632	2.3
98.01265	1.9
98.06041	4.9
98.97569	7.2
99.04417	0.9
100.07079	0.7
100.07614	8.2
102.93649	0.7
104.01284	0.7
104.72765	0.7
106.01046	1.4
107.00139	1.0
108.41621	0.6
110.01242	1.1
110.07158	0.7
110.97552	1.5
111.00240	0.7
111.09203	31.4
113.07132	5.4
113.96355	0.8
115.08686	0.8
116.98604	4.1
117.01801	1.5
118.00990	1.1
119.01778	2.0
121.01592	0.6
121.05046	0.7
127.01546	1.2
127.03887	1.3
128.98586	2.9
129.10196	2.2
131.01846	0.9
132.00754	1.5
133.01602	1.5
134.99686	3.6
135.01271	1.0
139.08621	2.6
141.01215	2.8
141.05501	1.0
141.06570	15.6
142.96463	0.7
146.99628	3.2
148.03802	2.3
150.01802	3.8
155.04607	0.7
157.02586	6.5
157.04370	1.8
158.99620	1.6
159.07608	1.7
161.01134	1.4
165.00740	3.1
165.07355	1.0
166.03096	1.7
168.01773	1.1
169.00746	0.7
172.97598	0.9
174.99129	1.2
176.94638	0.7
177.00713	1.3
177.02208	1.5
178.38997	0.6
179.02368	0.8
182.01486	2.1
183.11237	1.3
189.00653	0.9
190.01318	1.3
190.98581	3.6
191.02055	3.7
191.52135	0.8
193.00098	1.7
196.01112	1.0
196.14470	0.7
199.01660	1.0
200.02283	1.3
201.00618	0.9
201.12326	7.6
205.00111	1.3
205.01772	1.9
206.02486	0.9
207.01720	1.1
212.02425	0.9
218.98013	1.0
219.01764	1.4
223.01263	1.4
224.14001	2.9
224.16017	0.7
232.99634	1.4
237.02769	1.3
242.14972	100.0
243.15236	1.3
251.04121	0.7
263.00708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
56.05029	7.8
56.76900	3.7
56.96563	9.5
57.03432	6.9
57.37933	3.4
58.06592	14.5
61.02927	11.0
69.03420	4.5
70.06585	9.3
70.56872	7.2
70.57219	9.9
71.01349	3.7
72.08162	5.9
72.93776	10.5
73.02930	6.6
75.60944	3.3
76.03989	7.4
82.06592	4.0
83.05634	6.6
83.06104	96.5
84.04488	7.1
84.08154	9.3
84.96027	3.8
85.02895	8.5
85.08489	6.8
86.06071	5.3
86.09711	7.3
90.94823	4.0
97.02895	8.8
98.97590	4.3
101.02361	9.7
110.07182	8.1
113.96373	7.8
115.03938	6.5
116.98573	4.8
124.03964	5.4
127.03891	3.8
129.01823	8.2
129.06630	6.5
130.89214	3.5
131.97467	12.2
134.99681	4.0
143.03383	6.6
146.99591	5.8
148.04715	9.0
156.03404	3.6
157.01331	11.0
161.04445	6.6
189.03911	31.6
193.00168	4.3
196.14418	6.7
197.10042	5.1
219.01559	4.1
227.95978	7.0
242.09607	17.4
242.15643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.31475	0.3
52.47672	0.3
56.96548	1.3
58.06596	26.0
63.08043	0.3
70.06579	4.4
70.62955	1.1
72.08139	0.6
77.92558	0.3
81.03394	0.6
82.06548	0.7
84.04494	0.8
84.08138	12.6
85.06509	0.5
98.06051	0.5
98.09674	1.4
100.11239	0.8
111.09195	0.4
114.05560	0.5
116.98601	0.6
120.08189	0.3
122.40690	0.3
126.05474	0.6
126.09145	0.4
128.10709	4.4
144.10210	1.3
164.07051	0.4
168.10179	1.2
196.07976	0.4
196.09685	6.6
196.81227	0.3
213.15901	0.9
231.52284	0.3
241.15453	100.0
242.15791	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	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	31.3
56.96554	11.1
57.03439	11.7
64.03797	8.0
67.05495	35.9
69.07067	17.8
71.04988	12.8
71.57292	11.3
79.05486	56.4
81.07047	40.8
83.08612	16.6
91.05487	24.1
93.03718	28.2
93.07038	67.1
95.04961	16.4
95.08623	65.5
105.07029	24.9
107.08585	31.2
109.10165	11.5
116.98595	10.2
117.07068	10.5
119.08573	18.4
121.06536	9.8
121.10133	39.8
129.06990	18.3
131.08617	17.2
134.99631	14.9
135.11711	53.1
136.75186	9.1
139.11214	11.1
143.08533	26.1
145.10141	55.2
157.10144	13.5
159.11723	19.0
163.11177	70.1
165.61545	8.7
171.11671	22.6
175.07278	8.3
181.12216	14.4
183.11639	8.4
185.13271	27.8
199.14850	11.6
219.36684	8.5
227.12790	100.0
241.08691	11.2
241.15805	13.7
241.19547	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	241.1432
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.03776	3.0
55.05501	10.2
63.94824	2.6
67.05496	8.9
69.03423	9.7
69.07072	6.5
71.04964	3.2
75.41824	3.0
79.05476	5.7
81.07030	9.2
83.04996	4.6
83.08582	2.9
91.05479	11.8
93.07050	26.0
95.08587	18.1
97.06542	2.8
98.21602	6.9
105.07037	9.4
107.08583	54.8
109.06534	5.0
109.10157	12.0
117.06982	4.4
119.08578	24.0
121.06495	17.1
121.10104	16.0
122.07269	6.7
123.08049	24.3
125.09625	4.8
133.10129	7.3
135.07095	5.3
135.08043	51.8
135.11684	44.7
137.09608	92.0
149.13257	33.9
159.11708	24.9
161.04384	3.0
163.07504	4.8
163.11153	4.8
165.09177	3.3
177.12732	100.0
181.08572	6.1
195.13799	18.2
197.17395	6.0
205.12257	14.2
223.13246	20.0
241.19801	4.7
242.14882	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	241.1221
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
52.75748	0.7
55.05508	1.4
56.96550	0.8
60.73177	0.8
67.25660	0.8
69.07040	1.3
70.06569	0.8
70.74316	1.5
70.74709	1.5
71.66182	0.8
75.99660	0.7
79.05477	1.6
81.07027	1.3
83.08588	1.1
91.05465	8.0
93.03716	1.9
93.07042	1.6
95.08589	1.3
105.07025	2.1
107.08595	0.9
108.50443	0.8
115.05447	18.9
117.07008	100.0
118.07301	0.8
119.08501	1.2
121.10168	1.7
128.06192	1.4
129.06963	2.5
131.08563	2.2
134.99643	1.5
137.05945	1.8
141.06952	1.1
142.07774	1.0
143.08553	2.2
145.10164	1.5
147.11711	1.0
157.10083	3.3
159.11748	2.6
162.95213	0.8
163.97685	0.8
169.57018	0.8
171.11691	2.5
173.13206	1.0
185.09666	0.7
185.13203	2.8
199.14809	2.9
241.08456	1.5
241.15805	2.3
241.19489	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	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03930	4.6
55.05504	13.4
56.96558	10.8
57.03438	4.0
57.07078	7.8
60.75164	2.8
67.05503	13.9
69.03424	17.0
69.07062	12.5
70.06576	3.4
70.68198	2.6
71.04986	11.4
71.56768	3.7
71.57164	2.7
72.08150	2.5
72.44440	2.3
73.02909	2.8
77.44322	2.6
79.05493	12.6
81.07053	19.7
82.06591	3.4
83.04964	5.8
84.08132	4.7
85.02883	3.7
85.10221	2.4
91.05489	13.4
93.03720	6.0
93.07048	34.7
95.04980	9.3
95.08611	24.4
97.02895	6.0
97.06535	6.4
98.97600	11.9
99.04451	3.1
105.07005	16.7
107.05009	3.0
107.08599	68.2
109.06515	9.9
109.10146	19.6
111.08092	7.0
116.98614	14.4
117.07029	8.0
119.08571	33.8
121.06508	24.6
121.10142	23.4
122.07272	10.1
123.08058	30.9
125.09628	5.8
131.08643	3.3
133.10130	15.6
134.99687	6.7
135.08052	69.2
135.11691	53.4
137.06021	4.3
137.09615	94.3
139.07532	6.7
145.02864	2.8
145.10103	3.6
147.08075	6.1
149.05942	4.2
149.09633	3.2
149.13263	42.3
159.11693	29.8
163.07576	6.3
163.11237	6.5
167.07071	3.7
177.00739	5.5
177.05408	4.9
177.12752	100.0
181.08575	12.9
181.12288	3.8
183.10252	2.8
195.08090	7.2
195.13753	20.4
205.12262	19.4
223.13316	28.0
241.08751	3.3
241.14255	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	241.0858
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
50.53101	0.4
51.02391	0.4
53.03945	1.1
55.05502	0.7
56.31572	0.4
56.96539	0.4
57.03434	0.5
62.88607	0.4
65.03931	0.5
67.05510	0.7
68.99778	2.3
69.07056	0.7
70.24007	0.8
70.24397	0.7
72.44738	0.3
72.63354	0.3
73.15227	0.3
79.05486	4.2
80.20856	0.4
81.03413	8.3
81.07045	0.8
83.07508	0.3
83.08647	0.6
89.51331	0.4
91.05486	2.4
93.03716	0.8
93.07045	0.6
95.04961	1.5
95.08607	0.8
96.02106	0.8
97.10178	0.3
98.21367	0.4
103.05462	30.7
105.03397	1.3
105.07046	0.8
107.04942	5.3
109.02876	1.2
109.10196	0.3
111.04428	2.1
115.05499	0.4
117.03377	3.2
117.07043	0.5
119.08548	0.5
127.03905	1.6
128.06203	0.9
129.06993	0.6
131.04921	43.3
132.05290	0.7
134.99594	0.4
135.04401	2.2
137.02332	100.0
138.02670	1.1
143.08553	1.9
145.02843	0.3
145.10167	0.4
152.06207	2.4
153.06960	1.3
155.03400	1.6
155.08551	3.0
156.09285	0.5
157.06503	0.7
157.10130	0.7
159.11760	0.4
163.03915	8.5
165.07014	2.1
166.07719	0.8
167.08563	4.6
171.08032	3.5
171.11690	1.0
176.06219	0.4
177.06999	0.8
178.07797	1.2
181.06432	0.8
185.13174	0.7
195.08034	9.9
198.06677	0.4
199.07561	2.4
199.14856	0.5
213.09081	1.4
223.07520	7.1
226.06241	6.9
241.08577	87.4
241.19533	2.8
242.08990	1.8
242.28253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.8
57.03432	8.5
61.55599	0.8
65.03940	5.3
67.05501	49.9
69.03409	0.9
70.06564	1.7
71.04991	1.7
71.56100	1.0
71.78571	0.9
79.05472	1.4
81.07018	1.1
82.06559	1.8
84.08122	1.8
87.04427	0.8
91.05479	1.2
92.04996	1.5
93.07024	1.2
95.04961	22.6
99.04468	2.0
100.04762	1.7
106.06554	0.8
110.06020	2.8
115.47655	0.8
116.98593	1.2
119.05096	0.8
120.04424	2.0
120.08931	0.9
120.49364	0.7
121.06486	0.9
134.99635	1.5
136.07526	1.1
137.05974	1.2
138.05496	100.0
139.05888	1.1
162.06596	0.8
166.04996	56.2
174.00761	0.9
193.84975	0.8
194.30717	0.8
213.39096	0.7
240.06612	1.4
240.08678	11.1
240.12430	0.8
240.15993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.109
Annotation	dihydrobiopterin
Peak:m/z	Relative Intensity
56.05013	0.4
56.96560	5.4
57.03431	1.0
58.06599	0.9
61.02917	1.7
69.03420	3.8
70.06583	1.2
70.48431	1.7
70.48762	0.4
70.98121	0.5
71.04974	0.5
71.55102	0.4
72.08152	1.9
73.02925	0.6
73.88818	0.5
81.04548	0.4
82.06592	0.5
84.04547	0.6
84.08123	2.1
85.02905	1.8
87.04488	0.7
88.73740	0.5
91.91988	0.4
92.05795	0.7
94.04059	1.0
97.02879	0.9
98.97595	2.5
104.68671	0.5
110.07157	1.5
116.00223	0.5
116.98590	2.6
117.01981	0.5
119.01903	0.8
119.03558	1.9
120.08057	1.0
121.06481	0.6
128.98604	0.5
129.10214	0.9
131.01895	1.2
134.05966	0.5
134.99669	2.5
136.06177	100.0
137.04565	2.0
137.06544	0.5
137.07895	2.5
145.01752	0.5
145.03433	0.6
146.99673	0.8
148.06233	0.7
152.07054	0.8
152.10617	0.8
164.07024	1.8
173.93375	0.5
177.00719	1.0
190.98511	0.5
191.03995	0.5
194.12956	1.0
204.08797	0.6
217.00079	0.8
222.09825	1.2
240.10896	90.9
241.11148	1.0
241.15436	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	241.0857
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
52.88504	0.3
53.03946	1.3
65.03944	0.4
68.99773	2.0
69.03423	0.4
69.07034	0.5
69.93876	0.7
69.94285	1.5
72.63655	0.3
77.03967	0.3
79.05486	4.7
81.03414	9.0
81.07038	0.4
86.03142	0.3
89.35511	0.3
91.05463	1.8
93.03746	0.6
93.07042	0.5
95.04949	1.5
96.02088	0.5
98.21403	0.6
103.05457	28.9
104.05787	0.6
105.06977	0.5
107.04936	3.9
109.02872	1.0
111.04433	1.6
117.03356	2.5
119.08569	0.5
127.03911	1.0
128.06177	1.0
129.06985	1.1
131.04916	44.7
132.05246	0.9
135.04373	2.3
137.02327	100.0
138.02698	1.4
141.06801	0.4
142.07785	0.5
143.08537	1.3
145.10130	0.9
152.06197	1.8
153.06964	1.1
155.03381	1.5
155.08554	3.0
157.06520	0.6
157.10136	0.4
163.03893	5.7
165.06975	2.0
166.07654	0.4
167.08549	4.8
171.08017	2.7
171.11644	1.1
177.06956	1.2
178.07736	1.0
181.06502	1.1
185.13226	0.3
195.08038	9.8
199.07530	1.5
199.14925	0.5
203.67937	0.4
213.09125	1.2
223.07529	5.9
226.06224	8.3
226.08452	0.5
241.08571	75.9
241.19525	2.9
242.08812	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	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90841	1.3
53.03943	2.3
55.05510	29.9
56.96552	3.6
57.07075	100.0
65.03931	2.8
67.05505	62.2
69.07066	28.4
71.04992	2.7
71.08635	61.4
71.58002	2.6
79.05477	10.5
81.07056	66.6
83.08148	2.3
83.08623	33.3
85.06532	4.4
85.10178	27.3
89.06026	1.9
91.05466	4.6
93.07050	6.6
95.08608	85.6
97.10168	14.1
98.97586	4.9
99.04444	2.0
99.08070	3.1
105.07050	2.4
107.08569	3.1
109.06501	2.0
109.10164	30.7
115.05404	2.3
116.98612	6.4
119.08562	2.4
121.10167	1.7
123.11707	9.0
128.98602	1.5
129.07089	1.8
131.08617	1.8
133.10095	1.6
134.99648	7.7
137.13257	5.0
141.86038	1.3
146.99646	3.3
155.08598	2.0
165.00688	1.7
169.10139	2.5
179.08565	1.7
197.13290	2.2
205.47766	1.5
221.19031	2.2
239.08672	3.3
239.10867	3.0
239.14273	2.5
239.18027	3.8
239.20143	4.3
239.23738	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.92581	2.1
55.05510	32.4
55.07779	2.5
56.30978	2.0
56.96573	2.0
57.03422	4.6
57.07076	22.9
59.04747	2.6
59.05001	28.2
61.62201	2.0
65.03924	2.8
66.04013	2.1
67.05507	29.1
67.85384	1.9
69.03417	5.0
69.07064	39.3
70.02313	12.3
71.04984	9.4
71.08611	6.2
73.06553	4.3
79.05505	14.8
81.06585	4.1
81.07054	76.5
83.04985	5.0
83.08619	23.9
85.02898	3.5
85.06533	8.6
86.06203	2.2
91.05480	17.4
93.07037	23.7
95.04958	6.3
95.07993	6.0
95.08601	100.0
97.06547	13.2
97.10159	15.0
99.08092	5.2
103.05463	3.4
105.07032	18.8
107.08595	37.5
109.06515	5.3
109.10155	43.9
111.08084	13.3
111.11702	12.3
113.09625	2.5
115.05466	21.9
115.07545	4.6
117.07012	4.5
119.08576	24.4
121.10140	34.8
123.04412	2.8
123.08080	5.4
123.11685	24.9
125.09618	11.5
129.06975	3.1
133.10124	29.8
135.08090	5.1
135.11673	20.9
137.05940	3.1
137.09607	7.3
137.13242	82.8
139.11169	16.7
143.10648	5.7
145.10034	3.1
147.11678	22.9
149.13281	15.9
151.11168	7.9
151.14729	3.0
157.12227	3.0
161.05980	7.1
161.13214	14.7
163.14803	29.9
165.12743	6.4
169.01210	2.2
169.10043	4.2
177.16364	7.1
178.07748	4.3
178.71368	2.5
179.08514	4.9
179.14262	2.6
179.17969	2.8
181.06477	2.9
183.11667	4.9
188.92471	2.5
193.19510	2.8
195.61409	2.4
197.13206	5.3
203.17946	43.3
211.07533	2.4
221.15469	2.5
221.19003	44.2
239.08754	6.1
239.10800	27.0
239.17943	7.6
239.20056	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	239.2367
Annotation	Bombykol
Peak:m/z	Relative Intensity
51.82218	0.7
53.03932	1.3
55.05509	25.8
57.07073	100.0
58.07404	1.0
59.18388	0.8
65.03928	2.2
67.05503	61.7
69.07064	29.1
71.02299	1.8
71.02680	0.9
71.04990	1.9
71.08630	59.8
79.05487	7.3
81.07052	59.4
83.08616	33.2
83.09114	1.4
85.06549	3.6
85.10178	29.4
88.10155	0.8
91.05460	2.5
93.07034	2.9
94.62396	0.8
95.08603	80.0
97.10168	12.9
99.08080	2.2
105.06995	1.7
109.10152	28.9
111.11713	1.6
115.05466	1.7
117.07032	1.0
122.43163	1.0
123.11682	9.5
129.06982	1.8
137.13245	1.9
141.07039	2.3
143.08601	1.9
155.08528	4.3
157.10130	2.0
161.06009	0.9
168.09299	1.1
169.10135	3.8
171.11684	2.7
179.08545	0.9
181.10120	1.1
183.11697	4.8
185.13266	1.0
195.11752	1.2
197.13266	5.2
211.14766	1.3
239.08614	1.0
239.10655	3.6
239.17964	9.1
239.23689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
58.06005	1.1
67.05491	5.9
69.03404	2.7
69.07063	1.5
70.88978	3.3
71.05000	3.0
79.05481	5.1
81.07063	4.7
83.04988	2.7
91.05503	6.7
93.07055	3.8
95.04964	3.8
95.08609	6.3
98.37888	1.2
100.47745	1.2
105.07030	14.2
107.04951	2.4
107.08585	13.3
107.26734	1.3
108.50823	1.1
109.06492	1.7
109.10154	10.6
111.04419	1.7
117.07010	2.5
119.08587	12.5
121.06488	12.6
121.10202	1.1
122.07270	12.2
123.08040	3.3
129.07005	1.2
131.08609	1.6
133.06479	1.2
133.10127	15.5
135.08051	100.0
137.09616	46.3
147.08044	3.2
147.09171	1.6
147.11684	13.7
150.74443	1.2
151.11130	1.3
157.10123	6.7
159.11763	2.0
160.08936	1.4
161.09608	3.0
163.07556	5.0
175.11177	28.3
177.12718	2.8
179.10738	1.7
181.08583	19.1
193.12227	7.5
203.10622	3.8
221.11716	18.7
224.73712	1.1
239.09010	2.8
239.12735	3.4
244.13213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05511	38.4
57.07074	26.0
59.04990	22.0
64.56747	5.5
67.05512	31.7
69.03426	8.2
69.07067	46.9
69.47862	40.3
71.04981	17.0
71.08633	9.8
75.84384	4.7
77.58870	5.0
79.05496	19.3
81.07054	87.7
83.04998	14.3
83.08620	25.7
85.02899	10.1
85.06538	14.3
91.05484	15.3
93.07030	41.0
95.04956	10.0
95.08609	100.0
95.09172	8.5
97.06528	18.8
97.10168	11.4
99.08027	7.1
105.06997	29.1
107.08594	46.2
109.06515	12.2
109.10166	57.5
111.08076	14.8
111.11720	8.3
113.09666	6.0
119.08594	29.5
120.05451	5.1
121.10129	29.9
123.08062	9.9
123.11703	31.9
125.09637	15.4
133.10152	26.1
135.08073	10.9
135.11726	27.0
137.09598	12.8
137.13237	74.7
139.11195	18.0
147.11708	16.9
149.13307	16.0
151.11194	9.5
153.12753	11.9
161.06007	5.9
161.13297	11.8
163.14803	29.9
165.12701	8.4
169.10176	6.5
177.16408	8.5
179.17969	5.5
183.11736	13.0
200.20721	5.2
203.17963	45.3
221.15407	5.8
221.19028	47.2
223.73845	5.8
239.08980	20.7
239.14252	9.6
239.18094	11.4
239.20102	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
55.77627	1.3
67.05491	5.6
69.03416	3.0
69.07052	2.0
70.89127	3.4
70.89500	1.6
71.04979	2.3
79.05495	3.7
81.07055	4.0
83.04974	10.0
85.02881	1.4
87.04478	1.4
91.05470	6.2
93.07067	2.4
95.04977	2.7
95.08622	4.2
105.07028	15.1
107.04955	1.9
107.08598	16.8
109.06553	3.6
109.10144	7.2
111.04485	1.2
111.80444	1.2
115.03971	1.1
119.08566	9.0
119.20563	1.3
121.06486	11.8
122.07288	14.5
123.08066	3.7
131.08598	1.3
133.10138	15.0
135.08051	100.0
137.09612	50.9
139.83632	1.3
142.07773	2.6
147.11682	12.4
148.12045	1.4
157.10088	4.6
159.11774	1.3
161.09622	3.6
163.07545	2.8
175.11168	28.0
177.12749	4.1
179.10713	1.4
181.08577	23.4
193.12253	10.3
203.10634	4.1
220.16920	1.7
221.11749	16.5
221.17229	1.9
223.61304	1.4
235.95290	1.4
238.18066	1.2
238.68143	5.4
239.09000	1.3
239.12746	3.7
239.18373	3.7
239.73238	1.1
257.13214	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	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05516	2.4
55.53548	1.2
57.03423	1.3
67.05500	7.5
67.37627	1.3
68.05462	1.2
69.03410	2.4
69.07063	1.6
69.62112	6.0
69.62526	3.1
71.04996	2.1
79.05485	5.5
81.07057	3.7
83.04946	5.9
85.02886	1.4
91.05468	7.1
93.07045	5.1
95.04969	3.0
95.08597	6.2
103.05453	1.8
105.07030	15.0
107.04967	2.5
107.08598	11.2
107.09254	1.7
109.06502	2.0
109.10147	8.6
111.04450	3.8
117.07046	1.2
119.08562	8.7
121.06525	9.1
122.07275	12.2
123.08085	3.2
133.10130	20.7
135.08047	100.0
136.08401	1.7
137.09607	49.1
142.07858	2.1
147.09193	1.6
147.11691	14.7
151.07510	1.6
151.11147	1.5
157.10143	4.9
159.11726	2.1
161.09642	4.7
163.07535	3.8
175.11182	27.8
177.12782	2.2
179.10709	1.4
181.08588	19.2
193.12213	7.6
203.10786	2.7
221.11725	18.4
239.08871	1.9
239.12904	2.8
240.12370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01863	2.3
55.05505	3.8
56.96550	4.3
57.03429	4.1
57.07069	2.5
58.77003	1.3
61.43522	1.2
65.03937	2.1
67.05502	17.2
68.52084	1.3
69.03419	7.5
69.07054	2.0
70.06557	1.6
71.04986	5.2
71.57033	1.9
73.02905	2.0
79.05497	7.0
81.07055	9.6
83.04967	5.5
83.08603	1.8
84.08148	2.5
85.02877	1.9
91.05482	15.5
93.07045	5.0
95.04970	4.9
95.08598	8.8
97.02885	3.7
97.06523	1.5
98.97584	5.4
99.04435	1.6
101.02379	1.3
103.05459	1.6
104.01266	1.4
105.07024	15.8
107.04956	3.0
107.08599	15.3
108.08080	1.2
109.06526	3.1
109.10132	9.8
110.97546	1.6
111.04469	2.6
116.98605	5.0
117.07022	2.8
119.01802	1.8
119.04931	12.5
119.08572	12.4
121.06500	10.3
121.10123	2.2
122.07304	11.1
123.08075	5.8
123.11707	1.4
124.03960	1.6
128.98586	2.9
129.06927	1.4
131.08557	2.8
133.06491	2.7
133.10129	16.8
134.99670	2.7
135.08047	100.0
137.05989	4.2
137.09618	46.0
142.07771	1.7
146.99660	3.9
147.03227	2.5
147.04407	41.6
147.05524	2.9
147.08066	1.9
147.09175	1.5
147.11688	11.2
151.07529	2.3
151.11221	2.6
157.10129	6.2
158.99664	1.9
159.11694	1.3
161.01271	1.2
161.09613	5.4
163.07539	3.9
163.11188	1.4
165.06976	2.0
169.08720	1.8
175.11188	32.0
176.03322	6.6
177.00710	1.9
177.12808	3.6
179.07053	3.2
179.10699	3.0
181.08585	23.3
183.04741	2.0
183.08063	1.3
185.03912	7.5
189.00725	2.6
193.03563	2.6
193.12227	12.2
195.30870	1.3
196.54739	2.0
203.10672	4.2
211.07567	1.5
221.11754	16.4
239.08887	3.3
239.12761	6.5
249.02925	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	238.1589
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
51.02361	0.3
53.03953	0.6
55.05522	0.3
67.05498	0.5
69.98009	1.0
77.03932	0.4
77.86346	0.2
79.05491	7.5
81.07049	0.5
89.91104	0.2
91.05484	0.4
95.04958	1.5
95.08583	0.4
98.20834	0.5
98.97573	0.2
103.05461	5.1
105.07026	100.0
106.07338	1.3
107.08547	0.4
125.05949	0.2
125.19881	0.2
134.09636	2.1
141.69067	0.2
148.80434	0.2
169.38077	0.2
230.05710	0.3
238.15895	46.5
239.16200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	[1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Peak:m/z	Relative Intensity
53.03938	4.9
55.01866	6.0
55.05505	16.9
56.96558	7.0
57.03422	7.7
57.07070	9.3
59.04992	8.2
63.83532	2.4
65.03938	3.1
67.05501	22.4
69.03426	18.9
69.07061	15.3
71.04990	56.2
71.56882	3.1
79.05489	28.4
81.03384	3.2
81.06580	6.0
81.07052	100.0
83.04971	11.3
83.08624	7.4
85.06532	9.6
91.05473	22.4
93.07044	25.2
95.04958	14.8
95.08596	23.8
97.02855	3.7
97.06528	11.9
98.97586	29.1
99.08090	47.0
105.07040	33.6
107.04949	3.5
107.08573	32.4
109.06527	18.7
109.10146	33.2
111.08078	4.7
116.98619	21.6
117.06985	4.1
119.08595	15.3
121.06474	5.6
121.10133	17.9
123.08058	9.8
123.11688	15.0
125.09621	11.7
127.07552	24.5
127.11183	31.9
131.08537	9.3
133.10126	48.6
134.99670	13.5
135.11705	11.8
139.11169	6.6
143.10706	8.4
145.09111	4.3
145.10095	22.6
147.11700	11.9
149.09637	3.8
149.13275	8.9
151.11179	62.4
155.10635	11.1
158.99628	8.8
159.11682	11.1
161.13274	8.1
163.04468	4.4
163.07527	3.8
163.11134	4.7
169.12204	6.1
169.99829	3.2
173.09644	3.2
177.00729	16.4
191.07005	6.8
191.14307	3.3
193.04839	3.4
194.07077	10.1
201.16389	5.0
203.07561	6.6
209.13503	2.8
219.09691	5.4
219.13818	3.6
219.17474	10.6
237.07541	6.8
237.14774	6.7
237.16602	4.2
237.18552	12.2
238.18015	8.4
249.85063	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	237.1232
Annotation	Phe-ala
Peak:m/z	Relative Intensity
55.05529	0.6
57.07044	0.6
67.05482	0.5
69.07059	0.7
70.81934	0.8
70.82280	1.1
73.55674	0.5
74.02434	1.1
79.05480	1.1
81.07021	0.5
91.05476	1.3
93.07043	1.1
94.06551	1.5
99.00809	0.7
103.05459	3.2
104.05046	0.7
107.04962	1.6
118.06541	4.0
120.08099	100.0
121.08440	1.5
122.05976	0.7
128.04958	2.7
130.06531	4.1
131.04935	2.2
132.04456	0.6
136.07581	2.2
145.07584	0.8
146.06001	42.9
147.06342	1.1
148.03931	6.7
149.05989	1.7
150.05533	1.1
157.07610	3.4
158.06038	1.1
163.05974	0.6
164.07115	1.0
166.08633	56.1
167.08960	1.0
173.07126	2.4
174.05508	9.0
178.05046	0.6
191.08162	10.4
191.11766	2.8
192.06573	1.0
202.04979	1.0
203.08118	2.5
219.07632	0.6
220.06007	2.6
231.46010	0.5
231.80719	0.5
237.08797	4.5
237.12343	2.4
237.22131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.9
55.05494	5.4
56.94780	2.3
57.03419	12.6
57.07076	5.1
67.05485	12.6
68.66147	3.0
69.07039	9.6
70.06596	3.7
71.04976	5.1
71.08600	3.0
71.56596	3.4
79.05488	17.0
81.07040	12.8
83.04970	7.8
83.08609	3.1
84.08147	3.7
86.09727	3.0
88.66647	3.0
91.05471	18.3
93.07027	13.4
93.07545	2.7
95.04957	11.2
95.08600	7.5
97.06541	5.7
102.04667	6.6
103.05453	46.1
103.39366	2.8
105.03342	2.9
105.07022	17.7
107.04940	7.6
107.08599	9.7
109.06493	9.1
109.10146	5.5
110.07179	3.5
115.05438	3.7
117.03452	2.6
117.06984	7.9
119.04994	6.1
119.08542	5.6
120.08124	6.5
121.05096	4.9
121.06490	8.4
121.10197	4.4
123.08086	3.9
123.11690	3.3
130.04143	17.1
131.04919	99.1
131.08533	5.3
133.06479	9.1
135.04379	5.6
135.07996	7.2
137.05968	14.2
137.09544	6.1
145.06532	3.7
145.10129	5.5
148.03996	5.8
148.05182	100.0
149.05928	4.8
149.09654	5.9
151.11192	6.6
152.05602	6.6
159.07941	3.3
160.05275	3.3
161.05977	15.4
162.06744	7.5
163.07541	55.6
164.05643	2.6
173.13275	3.7
175.07561	3.2
177.05472	8.0
179.07047	5.0
191.07074	6.1
191.10643	6.8
192.10251	3.0
193.17751	3.8
209.08099	5.2
219.10263	4.9
236.87671	2.9
237.07533	9.9
237.14989	5.5
237.17300	3.5
237.22157	6.5
238.12950	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	237.1232
Annotation	Phe-ala
Peak:m/z	Relative Intensity
55.01857	1.3
55.05519	0.7
57.07061	0.9
65.03925	0.9
67.05501	1.7
69.03419	0.9
69.07064	1.7
69.95918	1.5
69.96334	2.1
70.02938	1.2
72.08145	1.6
72.28610	0.7
74.02435	24.4
74.02854	1.2
74.56744	0.6
79.05490	5.2
81.03437	0.7
81.07043	2.5
83.04989	0.9
84.04485	1.4
85.02882	1.2
86.09711	1.3
88.03988	2.3
91.05463	2.5
93.07046	2.4
95.04954	1.9
95.08610	1.3
97.02901	0.8
97.06495	0.8
98.97568	0.6
101.43694	0.6
103.05439	1.7
105.07023	100.0
106.07333	1.4
107.04947	1.0
107.08571	1.8
109.06509	1.1
116.03469	0.6
119.04976	0.7
119.08523	0.9
120.08118	2.0
121.05124	1.0
121.06512	0.7
122.09664	15.1
123.08052	0.6
131.04834	0.6
131.08578	0.7
135.08075	1.3
137.05986	1.0
137.09641	0.7
148.07542	4.7
149.10838	0.7
149.13295	0.8
151.11180	0.7
163.07465	0.7
164.10735	0.8
173.13344	0.8
177.09177	1.0
179.07057	0.7
191.03474	1.3
191.11778	69.7
192.10207	1.0
192.12158	1.0
193.17868	0.9
201.89925	0.6
219.03062	1.0
220.09686	1.8
237.04007	2.3
237.07498	1.3
237.12334	19.9
237.14673	1.3
237.22217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
60.08392	0.6
60.94275	0.5
62.95237	0.5
67.54964	0.5
71.37132	1.5
74.02435	3.1
79.05491	1.1
80.04993	0.8
91.05481	2.3
93.07043	0.7
94.06552	2.5
99.00823	0.8
103.05485	1.0
104.04986	0.8
110.06040	1.1
115.05476	0.5
118.06530	8.3
120.04485	2.5
120.07239	1.1
120.08102	15.7
122.06042	1.0
128.04956	4.6
130.06509	10.7
131.07309	0.9
132.04440	1.6
133.05258	1.8
136.07568	5.8
145.07568	1.2
146.06001	100.0
147.06386	1.9
148.03911	18.7
150.05460	1.9
151.08025	0.6
152.47873	0.5
156.04410	0.6
156.16151	0.6
157.07607	7.9
158.05978	1.5
159.09187	1.9
163.05742	0.8
163.08769	0.6
164.07077	2.4
166.08644	8.0
173.07112	4.5
174.05510	17.1
175.05949	1.0
178.04973	2.5
191.08154	20.0
191.11806	1.0
192.06506	3.4
202.05002	2.2
203.08141	5.2
204.09129	0.6
219.07657	1.2
220.06120	4.2
237.08710	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	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01883	0.2
55.05508	0.3
55.67844	0.2
56.05024	0.2
56.96563	0.7
57.03425	0.3
57.07080	0.2
67.05475	0.3
67.77856	0.2
69.07055	0.4
69.19622	0.2
70.06581	0.4
70.13762	0.8
72.04510	0.5
72.08137	0.6
74.02446	5.5
81.07058	0.2
84.08146	0.3
86.09671	0.3
91.05479	0.9
93.07069	0.2
94.06568	0.2
95.04924	0.3
95.08582	0.3
97.02860	0.3
98.20827	0.2
98.97580	0.3
103.05486	0.3
116.98634	0.2
118.06533	1.9
120.08085	0.2
122.09669	0.9
128.04965	5.5
130.06540	0.6
132.04494	0.4
146.06012	100.0
147.06361	2.0
148.03947	0.8
148.11203	0.4
158.06017	0.6
163.08821	0.2
173.07146	0.5
174.05525	0.7
191.08202	0.6
193.13391	0.2
219.07672	0.6
219.11182	0.3
220.09882	0.2
237.08768	1.6
237.12379	0.3
237.22087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0756
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
51.02383	2.3
53.03941	12.6
55.01630	2.4
55.01871	36.7
55.05508	18.7
56.96557	5.8
57.03430	29.6
57.07059	5.9
65.03936	16.9
67.05164	3.6
67.05498	36.4
68.99773	5.0
69.03423	14.8
69.07070	10.5
71.01339	9.0
71.04974	8.8
73.02896	3.6
75.88004	1.8
77.03925	2.5
79.05491	85.4
81.03430	17.2
81.07050	100.0
83.00914	2.5
83.01336	17.3
83.04976	57.4
83.08604	4.1
85.02924	10.0
85.06490	2.5
91.05476	93.2
91.58855	2.2
93.03409	4.4
93.06480	3.0
93.07037	38.3
94.04155	6.6
95.01308	5.6
95.04959	55.0
95.08605	16.9
97.02890	4.2
97.06503	8.9
98.20685	2.9
98.97589	3.0
101.02356	5.9
103.05457	13.4
105.03383	2.5
105.04500	3.6
105.07011	28.5
107.04945	44.4
107.08595	20.6
108.61980	2.0
109.02885	11.6
109.06508	79.7
109.10132	8.5
111.04424	9.4
111.08089	4.7
113.06029	2.8
115.05456	24.0
116.98573	2.6
117.03342	2.3
117.07014	29.3
119.04937	19.4
119.05736	2.7
119.06062	2.2
119.08582	12.3
121.02842	7.0
121.06505	21.5
121.10127	5.5
123.04417	8.1
123.08033	6.2
123.11662	4.9
125.02352	8.2
125.06008	6.3
125.09580	3.4
127.03894	6.8
127.11188	4.3
128.06183	3.2
129.06905	2.9
131.04941	7.6
131.08524	3.7
133.06485	8.0
133.10101	8.2
134.03661	2.7
135.04404	36.0
135.08035	24.1
135.11688	4.9
137.02341	4.2
137.05974	63.3
137.09549	2.6
139.03879	2.3
139.07516	5.0
141.01799	4.5
145.06479	22.8
145.10083	6.4
146.05978	2.7
147.04414	8.9
147.08031	9.1
147.11658	4.0
149.02339	25.0
149.05949	13.8
149.09596	4.1
149.13353	2.3
151.03899	4.7
151.07565	8.6
151.11176	9.5
153.05499	10.3
155.07062	2.7
159.11720	4.1
161.05962	7.4
161.09566	2.9
163.03911	12.5
163.07532	49.7
163.11208	3.5
165.05460	25.4
167.03438	2.6
167.06969	3.1
171.23871	2.2
173.05975	27.1
173.09618	3.1
175.03886	3.5
175.07562	2.8
177.05460	17.1
177.12788	2.3
179.06990	5.6
179.84508	2.0
181.04936	7.5
181.08559	3.6
182.05695	2.4
189.05389	3.0
191.07018	90.9
193.04939	16.6
193.08546	2.5
195.02863	2.5
195.06343	2.7
200.85814	2.3
201.05505	10.0
209.08061	13.0
219.06508	42.5
219.09988	3.0
219.17407	2.8
219.21040	2.7
229.85124	2.5
237.05283	4.5
237.07562	84.4
237.11009	3.3
237.12840	2.7
237.14847	4.7
237.18446	4.4
237.22177	4.1
255.08562	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	236.2006
Annotation	Neopellitorine B
Peak:m/z	Relative Intensity
53.03957	0.4
53.17831	0.3
55.01876	0.4
55.05518	1.7
56.05036	0.8
57.03429	0.5
57.07082	2.4
58.07416	0.8
60.76805	0.4
67.05511	1.6
68.05039	2.1
69.07073	2.7
70.06592	4.3
71.56503	0.5
71.56893	0.7
72.08150	3.1
76.02250	0.4
79.05489	2.3
80.05016	7.3
81.07060	2.3
82.06586	0.8
83.04973	0.4
83.08620	0.6
84.04501	3.2
84.08150	1.7
86.09723	3.0
91.05445	2.0
93.07034	2.8
94.06564	1.1
95.04983	1.8
95.08611	1.7
96.08148	0.7
97.06533	0.7
103.05458	1.0
105.07045	1.5
106.02933	0.4
107.04923	0.5
107.08617	1.5
108.08112	2.4
109.10146	0.7
110.09662	0.5
115.07584	0.4
118.06544	0.6
119.07373	0.4
119.08579	0.8
120.08106	16.5
121.08867	0.5
121.10200	0.7
122.09684	2.1
123.04436	1.2
124.11192	0.6
126.03746	1.5
130.05008	1.3
130.08630	0.6
133.10052	0.5
134.09682	2.7
135.10472	1.4
135.11671	0.5
136.11250	0.9
138.09122	2.5
138.12804	0.9
145.10199	0.4
146.05984	0.8
147.11414	0.5
148.11211	5.0
149.10721	1.5
149.11905	1.0
149.13181	0.7
150.12808	3.0
152.05362	0.5
162.12798	2.5
163.13565	1.2
164.13095	2.5
164.14287	0.8
166.15924	0.5
169.04929	1.8
172.11214	0.7
179.10674	0.8
180.08412	0.5
180.11003	1.4
183.14943	0.6
190.08592	0.7
190.12254	1.7
190.15898	2.8
192.17474	100.0
193.17767	2.2
194.19016	1.2
197.11076	0.9
205.87138	0.4
208.16882	0.5
218.11946	0.8
236.09146	0.6
236.12837	1.3
236.17116	5.3
236.20067	52.9
237.20436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.02391	1.1
53.03930	4.0
55.01867	1.7
55.05269	1.5
55.05509	20.3
56.96559	1.9
57.03423	4.0
57.07074	43.2
65.03929	1.9
67.05502	72.1
69.03419	1.6
69.07069	22.3
70.82755	4.1
71.04977	3.7
71.08628	5.9
79.05489	36.3
81.03368	1.2
81.07054	100.0
83.04985	6.2
83.08622	12.6
85.06532	8.3
85.10171	3.5
87.03992	1.0
91.05477	31.8
93.07040	51.0
95.04991	5.9
95.05487	1.0
95.08604	92.9
96.08987	1.3
97.06528	10.6
97.10185	5.5
99.08085	7.6
103.05460	2.3
105.07027	33.6
107.08588	34.0
109.06515	5.6
109.10153	39.3
109.47800	1.0
110.10502	1.4
111.08086	5.4
111.11718	2.1
113.09649	5.5
114.53045	1.2
115.05460	1.6
117.06991	3.9
119.08577	37.6
121.10137	41.9
123.04395	1.7
123.08066	7.4
123.11704	18.2
125.09605	2.1
127.11190	1.5
129.07022	1.6
131.08601	1.8
133.10127	35.3
135.11697	31.6
137.09596	5.6
137.13232	9.6
139.11180	3.6
145.06497	1.6
145.10097	2.3
147.08078	1.9
147.10516	1.3
147.11682	25.8
149.13295	9.6
151.07520	2.5
151.11180	4.4
151.14812	3.6
161.09656	1.2
161.13246	20.0
163.14819	4.2
165.12781	2.7
171.11766	1.4
175.07588	1.4
175.11241	1.1
175.14809	10.1
177.16389	4.6
179.10674	19.8
189.16339	8.2
191.17961	8.3
217.15948	2.9
217.19499	54.5
218.19939	1.8
233.12033	1.2
235.09589	2.2
235.13281	2.5
235.16908	59.8
235.20547	66.1
236.17239	1.6
236.21056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
53.03945	5.0
55.01872	3.8
55.05509	15.7
56.96555	2.1
57.07072	22.5
59.04990	1.1
65.03946	1.2
67.05507	10.9
69.03410	3.7
69.07067	5.0
71.01360	0.9
71.04977	2.3
71.57143	1.3
73.51035	0.8
75.48106	0.7
79.05490	27.3
81.03406	2.7
81.07055	44.2
82.07410	0.9
83.04977	7.8
83.08599	1.7
85.02934	0.8
85.06518	2.2
91.05476	25.8
93.07037	45.5
95.04971	14.3
95.08614	11.6
97.06525	10.3
99.04475	3.7
99.07452	0.8
101.06022	0.8
103.05448	3.1
104.06300	0.9
105.04517	1.0
105.07024	29.7
106.07326	1.0
107.04948	9.3
107.08598	13.0
109.06516	29.3
109.10158	2.6
111.04442	1.0
111.08084	1.4
115.05446	5.6
117.07001	5.5
119.04921	2.2
119.08584	17.8
121.06497	100.0
121.10125	3.0
122.06774	1.1
123.04433	5.1
123.08055	4.5
125.05958	6.6
127.07549	9.5
128.06207	4.9
129.07016	7.5
131.04926	1.1
131.08549	5.2
133.06465	7.6
133.10124	7.2
135.04445	6.3
135.08054	9.8
135.11691	2.7
137.05969	8.0
137.09564	1.1
139.07565	4.0
141.06987	1.7
142.07814	7.0
143.08572	9.7
144.05721	1.2
145.06476	5.9
145.10115	5.8
147.08070	7.7
147.11687	17.5
149.09604	2.3
151.07512	1.0
151.11185	1.4
153.05493	0.9
153.06979	1.2
155.08536	2.5
156.09370	4.2
157.06461	1.5
157.10115	15.7
159.08073	1.7
159.11650	1.7
160.05266	2.0
160.08791	1.2
161.05946	3.1
161.09605	5.7
161.13242	4.9
162.10352	1.0
163.07568	1.2
165.06989	2.0
166.07738	3.3
171.08029	1.5
171.11682	14.3
173.05978	2.3
173.09695	1.8
173.13338	2.4
175.07579	6.1
175.11186	25.5
175.14799	1.4
179.10669	21.5
181.10098	5.9
184.08797	2.5
187.07532	1.4
189.09149	1.6
189.12752	19.6
189.16414	1.3
190.06227	1.0
199.11171	20.5
199.14795	1.0
207.13782	1.0
217.08755	1.9
217.12238	29.9
217.15736	10.0
217.19435	1.0
218.12506	1.3
235.09581	1.7
235.13312	20.8
235.16924	48.1
235.20528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1486
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
50.23447	0.2
53.79847	0.2
55.05502	0.3
56.96554	0.3
57.07066	0.4
67.05501	0.5
69.07064	0.3
69.94417	1.1
70.06595	0.5
72.08149	0.3
79.05496	0.7
81.07064	0.6
84.06866	0.2
91.05480	0.9
92.05807	0.4
93.07037	0.5
95.04972	0.3
95.08631	0.4
97.06530	0.2
105.07017	0.9
106.07352	0.4
107.04942	0.3
107.08612	0.3
109.10080	0.2
116.98571	0.2
117.06976	0.5
118.06521	0.5
118.07325	0.3
119.08583	0.5
120.08020	0.3
120.08868	0.3
121.06477	0.3
125.10737	0.2
128.06172	0.4
130.06511	0.7
131.07251	0.5
131.08617	0.4
132.08067	0.6
132.08951	0.3
133.10143	0.3
136.06161	0.9
137.06029	0.2
144.07977	0.4
145.06453	0.3
146.09572	0.5
146.10498	0.8
158.09633	0.3
160.11212	0.9
164.11533	0.4
173.09561	0.4
173.59109	0.2
174.10031	1.7
175.06169	0.2
175.07568	0.4
176.07068	29.6
177.07538	0.8
181.15186	0.3
188.07089	0.6
188.11490	0.5
189.15120	0.9
190.08626	11.8
191.09406	2.6
192.10187	0.9
202.08371	0.2
203.14624	0.2
204.10187	10.1
205.11031	0.4
206.12392	0.3
210.83650	0.2
216.10873	0.4
216.13907	0.4
216.18320	0.3
218.11827	0.9
221.14104	0.3
229.15703	0.2
234.14882	100.0
235.15042	2.0
235.17023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09729	0.2
55.05501	1.0
57.03435	1.2
59.56942	0.2
65.87827	0.2
69.00880	0.2
69.50275	2.2
70.01581	0.2
79.05489	1.6
80.06522	0.2
81.07045	4.7
94.04050	1.7
98.21506	0.5
103.05495	0.3
109.05123	0.3
119.03545	2.8
120.08097	0.6
121.06047	0.2
136.06171	100.0
137.04562	2.5
137.06543	0.5
176.79236	0.2
190.10812	1.6
207.77824	0.2
234.13472	45.6
235.13742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94192	0.4
55.05499	0.7
57.03432	2.5
57.03665	0.3
58.64843	0.4
69.30189	4.2
79.05488	1.7
81.07049	4.3
88.03996	0.6
91.05488	1.1
93.93472	0.3
94.04036	1.0
119.03546	3.1
126.45984	0.4
136.06178	100.0
137.04576	2.6
137.06586	0.7
146.04599	0.6
148.06187	0.5
158.92754	0.4
162.07716	0.5
173.48320	0.4
190.10918	2.0
201.76801	0.4
212.99745	0.4
216.12436	11.5
234.13487	80.5
235.13762	1.6
235.17102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
57.03431	2.3
60.72049	0.3
70.34280	1.2
73.34915	0.3
79.05486	1.2
79.08163	0.3
79.61112	0.3
81.07053	4.5
88.43796	0.3
94.04042	1.7
104.99026	0.3
119.03543	3.1
130.99490	0.3
136.06174	100.0
137.04602	2.3
137.06554	0.8
158.41769	0.2
180.72917	0.3
190.10869	1.8
216.12343	0.4
234.13481	57.1
235.13803	1.6
239.94914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03937	4.0
55.01846	4.5
55.05516	9.1
56.96571	7.0
57.03435	1.8
57.07070	11.1
59.04984	5.5
61.80215	1.3
65.03920	3.2
65.52858	1.1
67.05502	20.4
68.99748	1.4
69.03132	1.3
69.03429	14.7
69.07079	10.1
69.37730	13.5
70.06590	1.8
71.04974	5.8
74.06075	3.5
79.05490	21.7
81.03412	2.0
81.06587	1.7
81.07053	20.3
83.04977	14.2
83.08611	3.2
85.02870	1.4
85.06532	13.4
86.09680	3.6
86.25899	1.5
91.05475	44.0
93.07037	32.4
95.04958	17.0
95.08150	1.3
95.08598	15.3
97.02883	3.0
97.06514	11.5
98.97584	2.2
103.05461	7.4
103.10920	1.4
105.07022	51.8
107.04946	11.1
107.07874	2.1
107.08592	39.8
109.06512	12.2
109.10150	10.7
111.08079	9.1
111.08736	1.6
113.05983	6.7
115.05448	9.1
116.06232	4.4
116.98592	2.7
117.07009	25.7
119.04922	29.3
119.06167	1.4
119.07803	2.2
119.08583	30.4
121.06494	15.7
121.10139	40.3
122.07308	7.3
122.41143	1.5
123.04465	1.8
123.08073	8.6
123.11659	2.0
125.09612	4.6
127.07558	4.8
128.06166	7.5
129.06993	11.0
130.07780	10.4
131.04964	3.1
131.08560	51.5
133.06505	7.1
133.10133	24.8
134.99640	2.5
135.04451	2.5
135.08028	8.4
135.11676	5.2
136.06149	1.8
137.06036	7.6
137.09607	41.0
138.09973	1.4
139.07562	4.4
141.06972	2.5
142.07726	2.3
143.08540	7.3
144.05687	3.3
144.09288	3.3
145.06483	14.8
145.10115	93.0
146.07167	1.9
146.10796	6.2
147.08090	9.1
147.11676	12.2
149.06006	3.6
149.08401	3.4
149.09608	67.9
149.13214	3.1
151.11137	5.7
153.09102	6.5
155.04910	2.0
155.06042	2.0
155.08533	3.5
156.09277	1.9
157.06509	2.8
157.10120	4.9
158.07259	3.1
158.10846	6.4
159.04422	2.5
159.08098	10.3
159.11674	20.7
160.08774	2.2
161.05978	2.4
161.09584	4.4
161.13226	2.6
163.07625	3.4
163.11189	10.0
169.10115	3.8
171.07996	1.9
171.11652	4.5
172.05118	2.4
172.12451	2.9
173.05934	15.6
173.09625	23.9
173.13234	28.2
174.06708	5.0
175.07578	2.5
175.11186	10.0
177.05559	1.8
177.09164	8.7
177.12703	2.5
177.16354	2.1
185.04849	1.5
187.07552	4.0
187.11188	12.2
187.14777	13.5
189.09074	2.3
189.12631	6.8
189.16359	2.4
191.03444	1.9
191.10681	2.8
191.14287	10.0
197.09625	2.2
197.13271	3.2
201.05464	10.0
205.08627	4.2
205.12144	7.2
205.15884	4.8
215.06981	3.2
215.10645	10.6
215.14287	10.6
215.17932	4.0
222.08328	2.3
233.08112	15.9
233.11824	12.5
233.15352	100.0
233.18758	11.6
234.15565	2.8
239.71194	1.5
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	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
52.57807	1.5
53.03954	1.9
55.01871	2.3
55.05507	15.5
55.36700	1.4
56.96560	2.3
57.07063	6.2
57.25491	1.6
63.29892	1.5
65.03922	2.2
67.05505	58.3
69.03427	1.8
69.07069	12.0
71.31023	3.3
79.05496	28.4
81.07057	72.4
82.70197	1.5
83.08607	6.1
91.05475	25.8
93.06489	2.1
93.07056	33.3
95.04958	5.6
95.08607	71.2
97.10185	3.6
98.97593	2.5
103.05457	2.0
105.07031	39.0
107.05000	3.6
107.08598	23.3
109.10168	24.0
116.06242	2.2
116.98636	2.5
117.07027	11.8
119.08579	23.8
121.06516	7.3
121.10126	18.1
123.08082	1.6
123.11692	8.2
125.05968	2.1
129.07010	2.4
130.07776	3.3
131.08566	37.1
133.06512	2.0
133.10135	12.4
135.08052	3.6
135.11694	13.0
137.05969	2.8
137.13255	4.2
137.17645	1.7
139.07532	3.6
143.08521	3.3
144.09476	2.4
145.10127	34.2
147.08105	2.1
147.11632	8.1
149.05959	3.0
149.09610	2.4
149.13272	6.1
151.07541	2.9
151.14830	2.8
155.08559	4.4
157.10106	2.9
158.82394	1.6
159.08076	7.2
159.11694	19.6
161.13269	13.9
163.07509	4.6
163.14786	2.3
169.10176	2.7
171.11690	2.5
172.12543	1.7
173.09631	3.7
173.13263	3.0
177.05511	2.0
177.09077	7.0
178.06314	3.7
182.10912	1.9
187.11235	2.9
187.14822	100.0
189.16380	2.4
191.06995	3.1
191.10655	4.3
191.14339	2.7
197.13228	9.0
205.15892	3.7
215.14337	22.2
217.15897	5.5
233.11649	6.5
233.13263	2.5
233.15392	47.1
233.19022	30.4
233.22609	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02388	0.9
52.18237	0.6
52.95454	0.7
53.03941	2.3
55.01865	1.7
55.05513	4.5
57.03421	0.9
57.07077	3.5
62.26502	0.7
65.03945	1.7
67.05499	10.2
69.03425	18.7
69.07061	4.3
69.24531	5.0
69.24955	2.9
70.06596	1.1
71.01325	0.9
71.04971	1.5
79.05485	20.4
81.03407	2.9
81.07055	13.3
83.04973	2.1
83.08606	2.2
85.02892	0.9
85.06538	1.5
91.05475	22.8
93.07034	12.7
95.04960	28.6
95.08614	6.1
97.06550	1.7
97.10153	0.7
103.05484	1.9
105.07020	21.2
107.04940	13.4
107.08585	18.1
109.02856	2.5
109.06511	7.7
109.10136	8.0
111.04440	2.5
111.08061	2.8
115.05449	2.4
116.06226	1.1
117.07021	7.3
119.08572	100.0
120.08945	1.3
121.06503	4.8
121.10139	10.2
123.08075	3.4
123.11696	3.3
125.09686	0.7
128.06203	1.7
129.07021	3.7
130.07796	2.8
131.04921	1.6
131.08554	17.1
133.06485	8.1
133.10126	10.2
134.06979	0.7
135.08032	3.2
135.11681	2.0
137.05989	1.5
137.09628	2.6
141.07002	1.4
142.07780	2.8
143.08554	4.1
144.05714	0.7
144.09302	1.4
145.06427	5.5
145.09161	0.6
145.10114	17.7
147.08040	3.2
147.11693	5.1
149.01166	0.8
149.09590	12.0
149.13260	2.6
151.03902	1.6
151.11182	1.9
153.07018	0.9
155.08539	4.1
156.09329	3.0
157.10129	7.5
158.07202	0.8
158.10931	1.6
159.08060	6.0
159.11668	6.5
160.08803	1.0
161.09599	1.3
161.13261	1.8
163.07556	1.3
163.11279	1.3
163.14830	1.3
167.08537	4.8
167.75490	0.9
169.10118	2.9
171.11679	5.7
172.05244	1.1
172.12442	1.0
173.09624	6.2
173.13255	10.6
175.11118	3.4
177.09085	2.3
177.12683	0.8
182.10925	6.6
185.09583	1.2
186.10326	0.8
187.11143	3.1
187.14793	10.0
189.12714	7.1
189.16344	1.0
190.06216	1.0
191.14293	15.2
197.13258	8.9
200.11987	1.9
205.08601	2.0
215.07042	1.0
215.10735	1.3
215.14320	12.8
215.17804	1.3
233.08040	2.8
233.11623	2.1
233.15334	40.0
233.19025	3.1
233.22873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03937	2.9
53.23239	0.6
55.05504	5.7
56.96558	0.8
57.07069	1.1
64.33160	0.5
65.03946	0.7
67.05499	2.2
69.03421	6.2
69.07066	1.8
71.05017	0.7
71.31696	0.6
71.32040	1.2
77.03929	0.8
79.05488	73.2
80.05830	1.0
80.06271	0.9
81.07063	3.1
83.04968	1.4
83.08611	7.3
91.05478	4.7
93.07038	6.9
95.04960	7.5
95.08593	2.2
97.06515	0.9
105.07030	8.6
107.04948	75.4
107.08578	11.9
108.05256	1.1
109.06508	1.7
109.10141	1.0
111.08057	4.8
117.07045	1.6
119.08584	7.7
121.06493	2.7
121.10139	8.7
123.08057	1.3
123.11738	1.0
125.09644	3.7
129.06964	1.0
131.08562	7.6
133.06514	1.0
133.10129	7.9
135.08064	1.7
135.11679	1.5
142.07724	1.0
143.08568	1.4
145.10136	3.9
147.11673	12.0
148.12425	0.7
149.09610	10.4
149.13260	4.4
157.10115	3.3
158.10890	1.8
159.07936	1.0
159.11679	1.1
160.08821	2.5
171.11644	0.7
173.09537	0.8
173.13254	7.4
175.11168	13.0
187.14795	1.4
191.14294	88.9
192.14635	2.0
197.13289	1.1
215.14223	1.4
215.17937	1.0
233.11604	3.7
233.15347	100.0
234.15712	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	233.1495
Annotation	Thr Leu
Peak:m/z	Relative Intensity
56.05033	17.9
57.03432	2.5
58.06595	3.5
67.48446	0.5
70.12907	0.9
70.13303	1.4
72.08155	0.7
74.06074	100.0
75.04510	0.7
84.04510	3.2
86.09700	24.7
90.65887	0.4
91.05487	0.6
95.66238	0.4
101.07152	2.2
116.79738	0.5
119.00506	0.5
126.12817	0.6
132.10194	17.3
142.12260	1.0
169.13385	1.7
186.01628	0.5
187.14420	9.7
194.93587	0.5
198.43536	0.5
215.13939	2.8
221.58203	0.5
226.86395	0.5
233.14967	6.9
250.59421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02365	0.8
53.03931	3.3
55.01866	1.0
55.05505	4.7
56.96556	1.2
57.03431	0.9
57.07057	2.8
59.24239	0.6
67.05495	4.7
69.03426	8.1
69.07063	3.2
69.36459	3.9
69.36887	2.6
71.04975	1.6
79.05490	69.0
80.05826	1.2
81.03396	0.7
81.07053	6.4
83.04974	2.4
83.08622	6.3
85.02909	1.5
85.06528	3.2
91.05463	8.0
93.07044	8.1
95.04964	8.4
95.08611	3.5
97.06538	1.9
99.08076	0.8
103.05458	0.9
105.04458	0.7
105.07027	12.8
107.04948	67.5
107.08585	12.6
108.05258	0.7
109.06510	2.4
109.10140	1.4
111.08054	6.9
113.05982	1.3
117.07013	4.3
119.08578	14.8
121.06480	2.7
121.10149	8.5
123.04418	0.8
123.08059	1.9
125.09624	3.3
128.06174	0.7
129.06979	2.0
130.07764	1.9
131.08559	12.9
133.06485	0.8
133.10126	9.2
134.99693	0.7
135.08034	3.3
135.11662	1.4
137.09616	4.5
142.07738	1.7
143.08546	2.8
145.10118	14.5
146.10822	1.0
147.08047	17.5
147.10529	0.8
147.11679	14.7
149.09608	9.4
149.13266	4.0
150.10400	1.3
153.09120	1.1
154.31812	0.7
156.09355	1.6
157.10132	5.8
158.10910	2.3
159.08118	1.1
159.11673	3.1
160.08818	2.2
163.11127	4.6
163.14769	1.0
167.08513	0.8
169.10025	1.1
171.11659	2.3
172.12428	1.6
173.09601	1.4
173.13245	10.9
175.11176	20.8
182.10918	2.0
187.14792	3.6
189.12749	4.6
190.13470	0.8
191.14301	75.5
192.14627	1.4
197.13237	2.4
215.14342	4.2
223.05768	0.7
225.96017	0.6
233.15353	100.0
234.15688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.01839	0.6
56.05032	6.7
56.96565	18.9
57.03430	2.7
58.06599	1.0
59.04996	0.7
60.95856	1.5
61.02922	3.1
68.81100	0.6
69.03431	2.2
69.07072	4.7
69.85091	4.2
70.06577	1.5
70.98115	1.5
71.04982	1.1
71.95287	0.7
72.04499	1.0
72.08152	2.1
73.02905	1.4
74.06080	20.5
78.61784	0.6
82.74110	0.6
83.50566	0.7
84.04494	2.7
84.08147	3.2
84.96035	1.5
85.02908	3.6
86.09703	100.0
87.04464	1.0
97.02894	1.8
98.20669	0.8
98.97581	10.5
100.03993	0.9
100.07624	6.8
100.99144	0.9
101.00898	1.1
102.05549	1.9
102.96873	1.2
103.03951	1.7
110.97556	1.5
111.51834	2.4
112.99159	0.7
113.03467	0.7
116.98634	6.0
116.99403	0.8
119.00176	0.9
119.01914	10.9
120.06558	4.6
120.52341	5.9
120.97918	1.9
121.01646	0.7
127.03934	0.8
128.05220	0.6
128.98618	2.9
130.04990	2.5
132.10211	2.9
133.01762	0.7
133.03465	5.4
134.99693	5.7
135.00728	1.1
137.02963	2.6
138.98949	1.2
140.05083	1.1
143.00095	0.8
143.01907	0.9
144.43283	0.7
146.99637	3.6
148.03899	1.9
149.01186	1.0
151.04550	3.4
157.02563	0.9
157.04448	1.3
160.51878	0.8
161.01212	1.5
161.02956	3.1
161.52541	0.7
162.99152	0.7
163.74570	0.6
165.00743	2.0
167.00948	0.7
169.52298	0.7
173.02997	3.0
177.00664	1.0
187.00270	0.8
187.14409	1.2
190.98680	3.4
191.02306	1.9
191.04045	7.5
201.05035	1.3
204.01840	1.1
205.01431	1.0
206.98111	1.2
207.01860	1.0
208.99736	1.7
210.04881	0.8
215.13895	1.5
219.01799	0.8
222.02864	1.1
232.99661	0.9
233.05182	1.0
233.12700	1.0
233.15102	2.6
234.06372	0.8
237.02748	1.3
247.02649	0.8
251.00734	1.1
252.04042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03912	0.9
54.30424	0.7
55.01882	0.7
55.05500	1.6
56.96564	3.2
57.03426	0.6
57.07076	1.3
59.06107	0.8
67.05495	3.0
69.03416	2.6
69.07053	1.8
70.06573	0.6
71.04977	1.1
71.57557	0.8
74.06071	1.1
79.05487	6.6
81.03409	1.3
81.07073	3.5
83.04988	0.9
83.08651	0.9
86.09711	0.7
88.07620	1.5
89.07143	2.1
91.05470	9.2
93.07032	5.4
95.04957	3.4
95.08591	3.2
97.06516	2.1
100.11258	0.7
103.05451	1.4
103.08694	0.9
103.78364	0.6
105.07030	9.1
107.04947	2.5
107.08577	4.9
109.06519	2.9
109.10132	1.2
111.94661	0.6
115.05446	5.1
116.06194	1.0
117.07021	6.8
118.08590	0.7
119.04948	2.4
119.08567	5.7
120.08926	1.0
121.06493	3.0
121.09705	7.7
123.08068	1.1
125.05965	0.7
125.28410	0.6
128.06192	2.0
129.07027	4.1
130.07774	1.1
131.04897	1.6
131.08571	6.7
131.96486	0.6
133.06470	0.8
133.10127	2.2
135.08044	100.0
136.06133	0.7
136.08363	1.4
137.05972	1.7
141.06987	2.8
143.08551	2.0
144.05678	2.4
144.09355	2.1
145.06476	5.7
145.10107	9.8
146.10452	0.7
147.07991	1.1
147.11716	1.4
149.09621	3.1
151.03896	1.1
151.07529	2.8
154.07722	1.8
155.08594	1.1
156.09349	1.7
157.06479	3.2
157.10023	1.3
157.16925	1.0
158.07240	3.1
159.08044	4.2
159.11673	9.0
159.73177	0.7
161.05899	1.1
161.09572	1.4
161.13159	1.1
163.11139	1.8
169.10136	3.3
171.08072	1.3
171.11700	1.5
172.05205	5.3
172.08795	11.5
173.05980	1.8
173.09613	19.0
173.13216	2.0
174.06757	1.4
174.10219	0.7
175.07530	2.1
175.11188	0.8
177.09068	1.1
182.07251	0.7
186.18506	1.5
187.07550	1.2
187.11169	13.0
187.14809	2.4
189.09038	0.9
189.12675	0.8
189.19629	1.4
190.06325	1.0
191.03378	1.4
191.10709	2.0
191.14299	1.1
197.09598	0.8
197.13181	0.8
200.04602	1.7
200.08307	0.6
201.05420	1.2
205.08546	1.0
205.12109	1.0
215.07037	1.2
215.10635	16.7
215.14215	1.9
218.05670	1.3
228.10489	0.6
233.08034	8.2
233.11652	5.6
233.15327	8.0
233.19041	3.3
233.22191	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	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03928	4.1
55.01855	7.2
55.05500	7.4
57.07058	2.8
65.03924	4.7
67.05241	1.4
67.05499	16.3
68.99769	1.9
69.03145	1.3
69.03427	15.9
69.07058	4.2
71.04981	9.6
71.08508	1.5
77.03886	1.6
79.05485	18.2
81.03397	3.1
81.07051	16.7
83.04972	3.9
83.08592	1.9
85.02858	2.0
85.06526	6.3
91.05475	43.0
93.07033	27.6
95.04957	22.7
95.08586	6.1
95.33501	1.5
97.06521	5.1
98.20725	4.5
99.04448	15.9
103.05451	3.5
105.07024	65.5
106.45309	1.6
107.04966	10.8
107.08586	12.6
109.06490	11.3
109.10143	4.3
115.05440	6.0
116.06229	3.2
117.07011	35.8
118.77149	1.5
119.04106	3.1
119.04932	58.0
119.08562	26.6
120.06525	1.7
121.02892	1.7
121.06499	31.4
121.10133	6.7
123.04396	3.1
123.08080	1.8
125.05943	2.3
128.06200	7.7
129.06999	14.2
130.07780	15.4
131.04898	6.9
131.08562	40.3
133.06485	9.9
133.10120	16.7
134.07309	2.0
135.04364	3.6
135.08034	9.0
135.11662	2.5
137.05939	5.6
137.09532	1.6
141.07002	9.7
142.07770	3.6
143.08572	16.0
144.05673	3.3
144.09348	9.7
145.06465	23.7
145.10112	100.0
146.07205	2.7
146.10452	2.9
147.04399	2.1
147.08028	6.3
147.11662	5.4
148.08723	2.0
149.05981	3.7
149.09572	8.7
153.07030	3.5
154.07751	11.2
155.08534	6.6
156.09344	4.7
157.06476	2.2
157.10106	6.1
158.07286	10.7
158.10773	1.5
159.08061	19.7
159.11681	55.8
161.09573	6.4
161.13193	2.5
163.07478	4.5
163.11162	25.8
167.08571	3.6
169.06415	2.7
169.10109	22.0
171.11687	6.0
172.05118	4.5
172.08827	5.2
173.05991	3.3
173.09619	79.3
173.13258	5.2
174.10075	2.0
175.07527	7.1
177.12790	2.9
179.08548	3.0
181.06355	1.9
182.07240	6.0
182.10892	2.3
187.07590	21.1
187.11163	92.3
187.14810	5.1
188.11551	3.5
189.09114	5.2
189.12715	5.8
191.06970	5.1
191.10643	12.6
191.14262	3.0
197.09578	14.9
197.13203	6.5
200.04666	5.1
205.12236	13.9
215.07112	30.6
215.10652	65.2
215.14037	12.2
215.17813	2.1
216.11041	2.6
233.08070	17.4
233.11684	46.9
233.15289	40.9
233.17267	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	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03934	3.5
54.58038	1.1
54.68445	1.0
55.01853	4.4
55.05495	3.4
57.07056	2.1
65.03928	2.3
67.05231	1.3
67.05508	14.6
67.51649	1.2
69.03434	14.3
69.07074	2.5
69.65140	7.0
69.65541	2.5
71.04978	6.0
71.73526	1.3
77.03909	2.1
79.05493	14.2
81.03413	3.1
81.07054	11.9
83.04962	3.0
85.06510	4.2
87.00831	1.6
91.05479	33.4
93.06497	1.2
93.07041	18.2
95.04968	18.0
95.08593	3.8
97.06515	4.8
98.21517	1.4
99.04443	15.4
103.05467	6.0
105.07025	61.7
106.07356	1.6
107.04953	8.3
107.08575	9.3
109.06537	6.9
110.54392	1.1
111.04384	1.7
115.05434	7.8
116.06230	3.1
117.07016	31.3
119.04946	14.7
119.08584	18.4
121.06516	17.2
121.10155	2.7
123.08034	2.4
125.06009	1.9
127.07543	1.2
128.06224	8.9
129.06992	16.9
130.07794	16.8
131.04918	4.2
131.08566	31.5
133.06477	8.5
133.10149	11.1
135.04449	2.1
135.08043	7.0
135.11658	2.2
137.05960	7.4
141.06946	5.9
142.07713	3.0
143.08543	20.4
144.05681	2.7
144.09337	13.4
145.06476	20.2
145.10114	100.0
146.07214	3.3
146.10437	2.4
147.04419	1.4
147.08020	4.9
147.11684	5.9
149.05983	3.3
149.09543	2.0
154.07736	9.9
155.06044	1.2
155.08528	5.6
156.09309	3.4
156.25262	1.4
157.06448	2.1
157.10091	4.6
158.07234	12.5
159.08052	14.9
159.11685	53.3
160.12050	1.9
161.05925	1.7
161.09604	3.8
163.07521	4.5
163.11185	16.0
169.10133	20.2
171.08041	2.8
171.11687	4.7
172.05209	5.7
172.08835	7.2
173.09615	97.0
173.13150	3.3
174.10049	3.6
175.07527	5.5
177.09146	1.8
177.12704	2.2
179.08554	2.4
182.07259	2.9
187.11176	91.7
187.14796	2.9
188.11479	3.3
189.09123	2.2
189.12766	4.1
191.03293	1.4
191.10622	9.4
197.09596	11.2
205.08504	2.4
205.12227	12.2
215.10658	58.6
215.14090	2.4
216.10913	1.4
218.05695	2.8
233.08095	8.6
233.11690	50.4
233.15115	6.5
233.19023	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	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.26837	0.3
53.03935	0.4
55.05509	13.7
56.05025	0.7
56.96559	0.5
57.05805	1.2
68.13164	0.2
69.03429	1.1
71.31909	0.6
72.08150	100.0
73.08466	0.5
81.03410	0.3
85.02888	0.6
86.09698	5.5
86.10178	0.4
98.97605	0.6
108.71526	0.3
115.05421	0.5
116.84837	0.3
116.98615	0.4
126.30048	0.2
127.03922	0.3
130.31859	0.3
132.10202	3.1
144.86763	0.3
153.96965	0.3
155.95251	0.2
185.16574	0.6
203.07071	0.6
231.17056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24675	6.1
53.03944	20.1
55.01859	9.4
55.05504	34.0
56.96563	11.1
57.03431	15.0
57.07060	16.7
67.05496	26.5
69.03427	100.0
69.06789	5.8
69.07066	65.6
71.04990	16.7
71.56799	11.7
72.08146	23.4
79.05487	28.8
81.03407	56.1
81.07049	55.6
83.04994	5.7
83.08619	15.6
85.02902	48.2
85.06550	14.7
86.09698	7.7
86.53999	5.9
87.00809	22.1
91.05467	45.6
93.07040	45.3
95.08611	85.4
97.02893	22.8
97.10175	13.9
99.04455	19.9
99.08127	6.3
100.16488	6.8
102.12822	9.3
105.07008	18.5
107.04898	6.1
107.08580	65.0
109.02879	17.2
109.10121	46.9
111.11718	21.0
119.08570	8.8
121.10126	68.4
123.11664	7.1
127.03918	20.3
129.07016	9.8
135.11647	22.4
137.13216	15.0
139.11121	9.5
147.08040	7.2
149.13298	10.7
157.10173	9.9
171.11737	6.8
173.13298	7.7
176.69180	6.9
177.14859	6.3
177.16353	82.2
185.07109	10.0
189.76610	6.9
195.17503	22.2
203.07010	6.8
226.01387	7.6
231.06490	13.8
231.10321	7.7
231.13766	17.0
231.17610	8.0
247.58337	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	231.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99825	5.4
54.03474	14.5
54.35474	2.1
55.01665	2.2
55.01873	27.9
55.02981	2.4
56.05036	17.8
56.96564	21.4
57.03423	11.3
58.02970	15.3
60.04516	3.4
67.66399	2.3
68.05039	3.6
69.03419	6.7
69.07063	3.5
70.02950	7.7
70.06591	15.8
71.02466	4.7
71.05002	2.8
71.57003	4.3
72.04513	9.1
72.08160	5.0
73.02926	34.0
74.02423	5.0
74.06051	2.8
81.03415	2.9
82.02950	28.9
83.01383	3.8
83.02475	2.4
83.03716	3.4
84.00872	26.5
84.04501	43.5
84.08144	9.0
85.02900	5.6
85.04018	5.7
86.02417	3.0
86.09711	42.4
86.63475	2.8
87.04465	2.6
88.03986	13.1
98.02442	3.8
98.06055	3.8
98.97604	4.1
99.01930	19.2
99.05647	3.1
100.03958	14.9
101.02377	3.7
101.03508	5.5
102.01918	4.5
102.05533	3.7
103.00695	2.5
103.02439	3.4
104.03469	2.8
109.98751	18.7
110.02403	82.3
111.01918	6.6
111.99596	2.2
112.00292	5.5
112.03962	4.0
112.07630	3.0
113.03532	2.8
114.05544	7.3
116.03448	35.3
116.07072	4.1
116.08233	3.4
116.98633	5.7
117.02980	2.8
118.05022	6.7
119.01925	19.3
121.01678	17.0
125.03469	24.5
126.01877	75.2
127.01397	88.5
127.02342	4.8
128.00189	2.8
128.03439	100.0
128.07025	2.3
129.02005	3.7
129.02957	43.2
130.01408	3.4
130.04970	3.0
131.04539	4.3
132.02908	5.7
134.99609	4.5
137.02979	7.8
138.01892	8.4
139.01404	5.7
139.02711	5.2
141.02969	4.2
142.05019	17.3
143.00223	2.6
144.02917	3.6
145.02441	96.0
145.03337	5.2
146.01242	10.4
146.04449	5.9
147.01355	3.0
151.05043	18.6
151.99731	4.2
153.02950	28.5
154.01379	3.1
155.04509	2.8
156.02921	25.5
157.02412	11.8
158.04445	13.2
159.04007	37.7
160.06023	4.5
161.01212	5.5
161.02962	9.2
163.03845	2.9
164.02312	3.5
170.00848	2.4
170.04471	7.3
171.01404	2.6
171.03992	17.6
174.03986	13.0
181.02489	7.3
182.00842	7.3
183.75696	2.3
185.05447	3.4
188.05583	10.0
189.02553	11.3
199.03517	30.4
203.06850	2.6
207.03023	8.7
231.03851	3.9
231.06068	21.5
231.10124	2.5
231.13371	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03747	0.9
53.03947	10.6
55.01857	3.3
55.05521	2.1
57.03427	3.0
61.02925	2.2
67.05488	1.5
68.99789	2.9
69.03428	100.0
69.07048	2.9
70.06577	2.1
71.05005	5.8
71.57191	1.8
72.08156	2.0
74.67254	1.0
81.03415	47.0
81.07053	1.8
83.01328	1.4
83.04972	0.9
83.08614	3.3
84.08100	1.1
85.02905	39.7
86.09695	1.1
87.00829	14.7
87.04447	1.1
91.05474	1.9
93.07017	1.9
95.08608	1.6
97.02896	21.6
97.06525	1.2
99.04453	18.6
101.25520	0.8
105.01862	2.9
105.07027	2.6
107.04905	1.1
107.08573	2.3
109.02881	15.6
115.05445	1.5
119.08611	1.0
127.03918	22.4
133.10062	1.6
143.08569	2.0
145.04898	2.2
145.10117	1.2
147.11784	0.9
153.01854	2.0
155.25487	0.9
157.10066	1.8
161.09753	1.0
171.11630	1.6
175.07549	1.5
185.13335	1.7
203.06963	0.9
213.12672	1.3
213.16344	1.0
231.04976	4.1
231.10164	1.7
231.13841	3.3
252.36066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54582	1.4
52.37011	1.5
53.03952	3.0
55.05525	8.8
59.74017	1.4
67.05495	3.1
69.03421	9.5
69.07072	9.5
70.06579	5.6
71.04975	2.9
71.15997	4.4
72.08150	2.1
74.02438	5.9
79.05479	3.6
81.03415	3.9
83.04971	2.6
83.08588	2.2
85.02898	4.8
88.03986	9.6
91.05474	11.4
93.07043	5.7
94.06563	1.9
95.04971	1.7
97.06524	1.7
98.06075	3.1
99.04465	2.0
105.07052	19.7
107.08571	4.8
110.05991	2.4
116.03456	4.0
117.06993	3.7
118.06501	3.1
119.07748	1.3
119.08576	29.4
127.03925	2.7
128.06215	4.9
129.07079	3.6
130.07784	5.4
131.08580	9.3
133.06500	18.1
133.10109	4.0
134.04459	8.9
135.08069	2.5
141.06998	2.2
143.08577	6.8
145.10115	38.3
147.08047	5.0
147.10512	2.8
147.11687	54.8
156.09325	15.9
157.10078	2.6
158.06288	1.5
159.08070	3.7
160.08853	2.1
171.11708	10.2
172.11203	4.0
174.10440	4.8
176.14310	14.7
185.13327	2.4
188.07010	2.2
188.14528	2.4
189.12743	91.0
190.13194	2.2
202.16003	1.9
215.13016	3.2
230.15410	100.0
230.18938	25.8
231.13673	1.8
231.15689	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	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03747	0.9
53.03947	10.6
55.01857	3.3
55.05521	2.1
57.03427	3.0
61.02925	2.2
67.05488	1.5
68.99789	2.9
69.03428	100.0
69.07048	2.9
70.06577	2.1
71.05005	5.8
71.57191	1.8
72.08156	2.0
74.67254	1.0
81.03415	47.0
81.07053	1.8
83.01328	1.4
83.04972	0.9
83.08614	3.3
84.08100	1.1
85.02905	39.7
86.09695	1.1
87.00829	14.7
87.04447	1.1
91.05474	1.9
93.07017	1.9
95.08608	1.6
97.02896	21.6
97.06525	1.2
99.04453	18.6
101.25520	0.8
105.01862	2.9
105.07027	2.6
107.04905	1.1
107.08573	2.3
109.02881	15.6
115.05445	1.5
119.08611	1.0
127.03918	22.4
133.10062	1.6
143.08569	2.0
145.04898	2.2
145.10117	1.2
147.11784	0.9
153.01854	2.0
155.25487	0.9
157.10066	1.8
161.09753	1.0
171.11630	1.6
175.07549	1.5
185.13335	1.7
203.06963	0.9
213.12672	1.3
213.16344	1.0
231.04976	4.1
231.10164	1.7
231.13841	3.3
252.36066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95605	0.4
54.98628	0.4
55.01870	1.1
56.05019	0.5
56.96561	51.5
57.03436	0.8
57.91217	0.4
69.07069	0.6
70.06583	2.2
71.08447	1.0
71.95262	4.1
72.04491	0.4
72.08140	1.1
72.96040	1.5
73.02921	0.9
74.97598	1.5
83.97623	1.3
84.04504	0.6
84.08147	0.9
84.96041	1.4
85.03017	0.4
86.09695	5.4
96.60829	0.4
97.02884	0.7
97.99195	0.6
98.97576	87.5
99.97914	0.5
101.00932	0.4
108.24145	0.4
110.02402	1.4
114.06663	0.4
115.00584	0.4
116.00222	1.5
116.03465	0.4
116.98612	100.0
117.98956	0.5
118.98965	0.5
119.01881	1.3
120.02042	1.2
124.00697	0.5
127.01418	1.0
128.03448	1.1
129.75084	0.4
133.53455	0.4
134.01245	3.6
134.99648	85.7
136.00075	0.5
137.00076	0.8
137.02866	0.6
140.00174	3.2
140.03819	1.1
141.00027	0.6
142.05365	1.2
144.03307	0.9
145.02545	0.6
146.99631	0.7
147.03247	0.6
148.53914	0.5
152.02313	0.7
153.00708	18.2
156.03125	0.6
158.01245	4.0
158.04869	4.8
160.06442	6.3
162.73515	0.4
163.02844	0.5
165.00742	0.4
170.04831	0.7
176.02309	0.7
176.05949	2.0
178.07509	2.5
188.00996	0.5
188.05901	4.8
189.04330	7.9
202.07491	1.3
206.05162	0.8
206.06995	7.5
207.05388	7.8
212.05992	0.6
220.08556	0.5
224.08035	13.0
224.10236	0.6
225.08531	0.5
230.04800	0.7
230.06981	8.0
230.15810	1.7
230.18253	0.5
231.05339	2.3
242.09085	0.9
247.09514	0.5
248.08035	18.1
249.06268	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01862	8.1
55.05501	31.1
56.05022	5.5
56.96556	18.1
57.03424	8.7
57.07085	9.6
65.03937	5.6
65.05491	5.1
67.05505	60.1
69.03421	11.5
69.07067	74.4
70.06596	44.3
70.54275	15.2
70.54631	7.3
71.04980	15.3
72.08147	16.3
73.02895	6.9
74.02430	16.3
74.06058	5.1
79.05484	48.3
80.64030	5.0
81.03423	9.3
81.07053	90.3
83.04965	8.5
83.08617	27.8
84.04490	32.7
84.08128	18.6
85.02909	14.9
85.06535	22.9
86.06046	7.5
86.09723	27.4
88.03978	17.9
91.05476	67.4
93.07032	76.2
93.33015	5.7
94.06534	8.0
95.04958	9.4
95.08609	95.6
97.06516	15.9
98.06095	8.9
98.97561	7.5
99.00770	6.0
99.08112	6.4
100.11272	45.6
103.05446	10.5
105.07029	89.4
107.04945	14.8
107.08587	76.6
108.99528	5.4
109.06526	17.8
109.10151	62.4
111.08046	9.3
116.03453	6.2
116.07078	17.5
116.98590	16.4
116.99471	4.5
117.07027	10.5
119.05048	4.9
119.08575	100.0
120.05187	5.5
121.06525	5.8
121.10143	27.6
123.08054	7.3
123.11685	15.2
128.98648	5.6
129.06946	7.1
129.09229	5.9
129.10204	11.7
130.04968	19.3
131.04883	11.5
131.08537	11.0
132.05241	7.0
132.95801	9.7
133.10130	73.2
134.04498	33.3
134.99670	6.6
135.04378	5.4
135.07999	9.3
135.11693	60.1
137.06000	8.7
137.09586	15.8
141.07011	8.9
144.05692	5.6
145.06503	8.6
145.10158	7.1
146.99564	12.2
147.11662	24.4
150.96887	7.4
151.11189	8.9
157.10081	6.1
159.11774	8.1
163.14798	35.2
166.08624	6.4
169.06400	8.5
171.08005	6.9
173.09607	5.4
174.96895	6.5
175.14812	82.0
183.05551	5.5
183.09090	6.6
193.15892	22.7
201.09096	9.1
201.12672	5.9
211.15115	10.5
211.17044	8.0
212.12732	14.8
220.58180	5.4
229.04977	7.8
229.08673	20.3
229.12173	10.2
229.15567	30.5
229.23523	9.7
230.10179	10.2
230.15486	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01870	0.8
55.05501	0.5
55.73594	0.3
56.05027	0.4
56.96563	12.7
57.03430	0.6
57.49016	0.3
58.06596	6.9
59.07111	0.4
59.07366	1.7
60.08162	8.0
61.02925	0.4
67.05517	0.4
68.05021	1.4
69.03400	0.6
70.06590	44.3
70.79635	0.7
70.80020	0.7
71.04975	0.3
71.06922	0.6
71.95277	0.5
72.08148	1.4
72.96027	0.6
73.02899	0.5
74.97605	0.4
84.04498	0.5
84.08133	0.8
84.96043	0.5
85.02911	0.5
86.09695	2.3
96.08127	2.4
97.02896	0.4
98.06033	1.0
98.97582	10.3
99.18976	0.3
101.00857	0.6
114.05529	4.1
114.09150	2.4
116.00201	0.5
116.07088	2.0
116.98611	12.6
119.01910	2.8
124.07591	4.3
126.02295	0.4
126.09148	1.2
128.02245	0.5
128.98581	0.5
134.01299	0.6
134.99655	12.4
137.02921	1.0
140.00237	0.4
142.08627	36.6
143.08958	0.5
144.03284	0.5
146.99643	0.8
148.03918	0.5
153.00687	2.9
155.17508	0.3
157.02580	0.4
158.01218	0.5
158.04884	1.3
160.06487	1.9
161.01277	0.3
170.08069	1.6
176.06026	0.4
178.07645	0.6
186.99174	0.4
187.00845	0.6
188.05933	1.3
189.04327	2.0
205.01892	0.5
206.07030	1.9
207.01608	0.5
207.05394	1.9
215.00334	0.5
224.02339	0.4
224.08063	4.0
229.15462	100.0
230.06966	1.6
230.15849	2.1
248.08089	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	229.1432
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	9.8
57.03438	16.9
57.07060	1.9
59.05005	5.2
65.03929	2.3
67.05503	100.0
69.03409	0.8
69.07057	1.9
71.04974	3.4
71.58743	0.9
79.05471	2.4
81.07053	14.7
83.08611	5.8
85.06527	3.2
91.05507	4.2
93.07030	2.2
95.08602	5.6
99.08124	0.9
107.08572	1.8
109.10152	76.1
110.10490	1.7
111.08073	2.7
119.08624	5.0
127.79982	0.7
137.09587	4.1
155.10652	3.0
166.80272	0.8
173.11734	17.5
229.14246	12.4
229.19612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24826	0.4
51.47206	0.6
53.03944	0.6
55.05506	10.5
57.03432	18.8
57.07065	1.8
58.06600	0.7
59.04988	5.3
65.03934	2.3
67.05497	100.0
68.33984	0.6
69.03417	1.1
69.07069	3.8
70.06609	0.7
71.04980	3.3
71.58179	0.8
79.05481	3.1
80.62095	0.5
81.03394	0.5
81.07049	16.5
83.08619	6.3
85.02892	1.6
85.06536	2.7
91.04962	1.0
91.05473	9.4
93.07037	5.7
95.04961	1.2
95.08595	8.7
105.06998	4.0
107.04956	2.5
107.08582	5.5
109.10145	75.7
110.10500	1.3
111.08078	3.8
116.06259	0.6
117.07001	2.7
119.08565	9.0
121.10149	2.0
123.04400	1.6
129.07007	1.2
131.08565	8.1
133.10123	3.3
135.11707	1.5
137.09596	3.4
142.91887	0.6
143.08519	1.3
144.09303	0.6
145.10115	8.6
147.11694	3.5
155.10654	3.8
157.10115	1.7
158.10995	0.7
159.08043	0.7
159.11691	7.6
171.11676	1.6
173.11729	16.7
173.13254	8.1
185.13211	1.4
186.14038	1.2
187.11191	1.1
187.14769	3.4
199.14941	0.9
201.16397	1.4
211.14822	0.8
214.17096	0.9
229.14180	13.0
229.19482	22.5
230.24808	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.8
55.20145	0.7
57.03438	16.8
57.07072	0.9
59.05001	5.4
65.03954	1.7
66.51344	0.6
67.05504	100.0
67.11687	0.6
68.05831	1.0
69.03427	0.8
69.07071	2.2
71.04987	3.1
79.05479	2.2
81.07057	12.5
83.08614	5.8
85.06545	1.8
91.05480	4.9
93.07052	2.6
95.08613	4.7
98.06058	0.6
107.08613	2.2
109.10156	78.5
110.10537	1.7
111.08086	3.7
119.08576	5.4
137.09627	3.3
142.39226	0.6
155.10728	2.5
173.11745	17.7
229.14305	14.5
229.19704	0.7
230.14673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03939	0.7
55.05510	9.2
57.03435	20.2
57.07076	1.8
59.05002	4.9
65.03929	1.5
67.05502	100.0
68.05849	0.8
69.07073	1.9
71.04995	3.7
79.05497	2.1
81.07057	13.8
83.08609	5.6
85.06535	3.0
91.05483	6.0
93.07037	3.4
95.04990	0.9
95.08606	4.7
97.71339	0.5
107.08591	2.5
107.49596	0.5
109.10153	77.8
110.10480	1.1
111.08111	2.5
119.08577	5.5
137.09630	2.7
140.20747	0.6
142.08597	0.6
155.10670	2.1
173.11737	17.9
181.29959	0.6
229.14317	13.8
229.17671	0.8
229.23521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05501	14.6
56.96571	4.1
57.03422	17.5
57.07061	6.6
57.33742	4.0
59.04995	6.6
67.05498	100.0
69.03412	4.9
69.07063	7.2
69.45931	13.3
69.46362	24.1
70.06579	8.7
71.04993	4.2
79.05486	11.3
81.07043	28.5
83.04920	3.9
83.08608	13.4
88.07607	4.5
91.05466	16.6
93.07034	8.7
95.08600	11.2
102.09196	5.9
105.07015	12.5
107.04945	12.3
107.08601	8.6
109.10135	76.2
117.06996	5.1
119.08588	20.5
120.42266	4.3
121.10151	9.4
129.06990	5.0
131.08549	14.6
133.10139	5.0
137.09558	5.1
143.08540	5.9
145.10110	8.8
147.11659	11.9
157.10120	7.6
159.08052	10.0
159.11638	10.2
169.10150	5.1
173.09666	4.7
173.11703	17.6
173.13266	15.2
187.11211	4.8
187.14772	4.7
229.12184	10.2
229.14343	16.0
229.15919	16.8
229.19466	30.7
229.23506	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03960	2.3
55.05510	13.8
56.49549	2.1
56.96544	2.3
57.03434	15.6
57.07065	2.2
59.04989	4.4
65.03947	4.1
67.05502	100.0
69.03423	5.8
69.07047	6.4
69.55305	11.6
70.06570	2.3
70.61322	2.0
71.04980	3.1
79.05484	14.3
81.07064	27.9
83.04955	3.7
83.08608	5.9
85.06539	4.0
87.04478	2.5
91.05481	22.7
93.07034	13.1
95.04964	12.6
95.08610	15.2
97.10149	3.2
105.07035	11.7
107.04958	11.8
107.08572	8.4
107.09232	2.0
109.06540	4.7
109.10152	73.7
111.04463	2.8
111.08069	4.7
114.73362	2.0
117.07006	4.1
117.45829	1.8
119.08603	13.0
121.10146	5.2
123.04435	4.8
123.11691	2.9
125.09695	2.1
129.06989	8.4
131.08553	7.7
133.10115	10.6
135.08014	4.8
137.09645	3.2
145.06509	2.5
145.10104	9.3
147.11671	7.2
151.11176	5.7
157.10136	2.8
159.08035	2.4
159.11694	5.8
159.77481	1.9
165.12755	3.2
169.10059	3.1
171.11667	3.1
173.09540	3.4
173.11737	14.5
173.13274	7.4
175.11189	5.3
182.75023	1.8
187.11021	2.3
187.14775	2.8
193.12251	4.0
201.16388	3.0
229.08511	4.3
229.12234	4.7
229.14006	11.9
229.15984	7.5
229.19408	15.8
229.23482	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	229.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01859	5.5
55.05492	4.4
56.96561	71.2
57.03432	23.8
57.07061	1.4
58.06591	10.5
59.07376	2.1
60.04515	2.1
60.08149	6.8
61.02924	29.0
67.05499	2.9
67.38376	1.6
68.04984	1.7
69.03422	11.2
69.07063	8.3
70.06200	3.3
70.06586	68.0
70.98116	4.8
71.04984	5.9
71.56149	3.1
71.95245	2.3
72.08147	9.9
73.02916	14.3
74.97601	2.9
77.00851	1.8
81.03422	11.0
82.06572	2.2
84.04492	5.4
84.08125	7.1
84.96027	8.1
85.02907	19.7
85.04008	3.0
86.03679	3.1
86.09701	33.5
87.04442	1.7
87.05556	2.0
88.99134	5.4
89.00758	1.9
90.01568	3.5
91.03988	1.7
91.05463	2.2
92.01302	3.0
96.08117	2.0
97.02882	11.3
97.06519	2.6
98.01279	4.5
98.06060	1.9
98.09637	1.8
98.97581	34.1
99.04443	4.7
101.00858	13.6
103.02404	3.1
104.01264	3.4
105.02052	2.5
105.07013	2.1
107.01832	3.6
109.02873	6.5
110.01298	5.2
110.02383	3.7
110.97549	3.9
111.04457	2.3
113.01770	2.0
114.05524	6.0
114.09126	3.5
116.00220	2.1
116.07075	30.4
116.98612	29.6
116.99812	2.4
117.01937	3.1
118.01041	3.4
118.08651	1.9
119.01900	95.6
120.02029	2.6
123.90092	1.8
124.03902	1.9
124.07571	6.9
124.99090	1.7
125.01763	2.3
126.02608	5.1
127.01485	2.4
127.03914	4.6
128.02328	11.2
128.98618	8.4
131.00139	4.6
131.01848	3.5
132.00739	2.4
133.01759	3.4
133.03436	10.2
134.99635	20.1
135.00787	5.7
135.03079	15.8
136.00095	1.7
137.02924	29.4
137.03914	2.7
137.05937	2.0
139.04034	2.8
140.02284	3.3
140.98669	1.8
141.01253	4.5
141.10207	2.8
142.03531	3.1
142.08624	46.3
142.96539	3.0
143.00182	5.4
144.03558	4.7
144.98065	2.4
144.99815	9.9
146.02313	1.9
146.99617	12.4
147.01302	3.5
147.03049	3.0
147.47900	1.6
148.02023	2.8
148.03835	5.8
148.04842	3.8
149.01178	8.7
150.01765	3.1
151.04533	3.4
152.07033	2.8
153.00671	4.2
153.04158	3.3
156.03610	3.2
156.53864	4.4
157.03574	2.0
157.26660	1.6
158.01271	2.4
158.99612	6.9
159.01216	1.7
159.55714	2.3
160.02016	2.7
161.01234	9.3
161.02931	4.9
162.01781	2.8
162.99120	3.9
163.00885	3.2
165.00742	8.3
166.08571	4.0
167.02255	3.5
168.01764	3.3
168.99837	5.7
169.02579	5.1
170.99641	1.9
173.01176	3.3
174.04422	2.3
174.99129	2.4
175.02577	2.4
175.04662	3.8
176.03360	3.1
177.00703	10.1
177.02150	3.0
178.03056	6.9
179.02313	1.9
183.02280	3.4
183.09650	1.9
183.11302	4.2
184.03064	2.8
184.04578	3.3
185.03883	2.2
186.99239	3.2
187.00850	19.6
187.03656	1.6
189.00711	4.9
190.98592	3.2
191.02200	3.7
191.03935	2.9
193.00197	5.0
193.03773	2.9
196.99438	2.0
201.00703	5.3
201.12294	2.3
202.05632	2.1
205.00146	5.3
205.01945	5.0
205.03656	1.9
207.01671	1.8
215.00362	13.4
219.01727	4.4
223.01172	3.4
229.06757	2.3
229.13812	4.5
229.15475	100.0
230.00969	3.2
235.01088	1.9
237.02817	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	228.1745
Annotation	erythrinan
Peak:m/z	Relative Intensity
50.10326	0.3
55.05489	0.5
56.96541	0.5
57.03415	0.5
60.58789	0.3
67.05492	1.6
69.07046	0.5
69.71822	0.4
69.72234	1.6
70.06557	0.3
72.04494	0.3
72.21970	0.2
79.05474	0.5
81.07030	0.7
81.15142	0.3
88.11237	0.3
89.59195	0.2
91.05457	0.5
93.07012	0.4
95.04928	0.3
95.08584	0.8
98.97554	0.3
104.56805	0.2
105.07017	0.6
107.04952	0.4
109.10133	1.4
119.08563	0.3
129.89030	0.3
131.08586	0.5
136.04996	0.3
156.08076	1.8
156.68228	0.3
158.09639	0.3
170.09607	1.4
171.10434	1.9
171.11633	0.4
172.11211	0.5
182.09641	0.4
184.11143	1.3
185.11987	1.2
198.12772	2.6
199.13356	0.4
212.14320	35.7
213.15051	4.5
226.15851	0.6
228.17450	100.0
228.23181	2.2
229.08446	0.3
229.12198	0.5
229.17775	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	228.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01673	0.5
55.01873	7.0
55.05505	1.3
56.05039	0.8
56.96300	0.7
56.96566	8.1
58.06597	4.0
58.82551	0.5
60.08168	0.8
61.02928	3.7
66.70561	0.6
68.05008	0.8
69.03428	3.5
70.06593	27.3
71.04987	1.0
71.57126	1.3
72.08155	4.3
73.02909	3.7
77.00897	0.7
77.24537	0.6
81.03400	2.0
82.06127	1.3
82.06583	18.3
83.06109	4.3
84.04494	1.4
84.08145	9.0
84.96032	1.0
85.02911	3.0
85.04022	2.4
85.08463	2.8
86.03667	0.7
86.06081	0.6
86.09701	2.6
87.04490	1.0
88.07620	3.0
95.06056	1.0
95.17103	0.5
96.08167	0.5
97.02882	2.8
97.07640	2.6
98.06033	1.7
98.97578	5.1
99.04411	0.6
100.03979	1.0
100.07616	10.5
101.00872	2.1
104.01308	0.7
109.02908	0.8
109.06340	0.6
110.06006	0.6
111.09201	39.2
114.05480	1.0
116.98654	3.5
117.02091	0.7
117.03008	0.6
118.03516	1.0
119.01918	11.3
121.01738	0.6
122.07137	1.1
127.04061	1.3
127.05040	20.4
128.02321	1.2
128.98621	0.9
131.00159	0.7
131.01859	0.8
133.03432	1.6
134.99626	1.7
135.03104	0.6
137.02946	4.3
139.72496	0.5
140.05251	0.6
140.07056	1.0
141.01237	0.8
142.08633	4.2
144.99799	1.7
145.06078	6.3
146.99666	1.8
148.03801	1.0
149.01224	2.3
150.06404	0.6
156.03557	5.1
156.11302	1.3
158.01193	1.3
158.99681	0.9
161.01198	1.0
161.02939	0.7
162.99187	1.3
167.02260	0.8
168.01729	1.0
168.11342	6.2
168.99869	0.8
169.09717	1.3
174.04408	3.5
175.02570	0.7
177.00764	1.0
177.02332	1.0
182.09196	2.1
182.12944	1.0
183.11327	0.8
186.04375	2.4
186.12402	1.4
187.00903	1.8
187.10776	12.8
191.00331	1.0
191.03770	0.9
192.05403	1.4
193.68462	0.7
196.00908	1.4
204.05496	4.5
205.01996	1.3
208.05438	0.6
210.12387	1.7
214.01924	0.9
215.00349	1.4
223.01215	0.9
228.13431	100.0
228.83005	0.7
229.13692	1.1
229.15543	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01866	3.2
55.05510	17.2
56.02642	1.9
56.96557	3.0
57.68906	1.8
66.15176	1.8
67.05172	2.7
67.05502	35.3
69.03406	1.6
69.07068	13.0
69.79704	11.2
71.04988	100.0
71.08621	1.6
74.19447	1.6
75.50372	1.5
79.05491	16.0
80.67348	1.6
81.07056	44.8
83.04956	3.6
83.08633	11.9
83.58925	1.6
84.04520	1.9
85.06537	4.4
88.45710	1.7
91.05473	9.3
93.07034	19.3
95.04948	4.2
95.08051	2.7
95.08602	31.2
97.06539	6.2
97.10173	8.6
97.10709	2.0
98.21487	3.0
99.08037	1.9
100.11247	4.5
105.07027	4.6
106.18163	1.4
107.08601	10.0
109.10162	8.5
111.08063	3.1
117.07010	5.5
119.08556	4.3
121.10127	4.6
122.47290	1.8
125.09583	5.7
129.06999	4.6
131.08534	6.9
133.10101	5.4
135.08125	1.6
135.11691	8.5
143.08514	4.8
143.10681	1.6
144.24492	1.7
149.13242	4.5
157.10130	6.4
159.11708	7.1
167.07036	3.0
171.11739	3.5
175.14835	3.1
177.12764	1.7
185.13257	3.3
189.11172	2.7
193.15836	2.2
195.13745	1.6
199.07466	2.3
199.14734	1.8
209.15387	1.6
227.06961	2.7
227.10492	4.1
227.12712	5.2
227.14452	3.6
227.17929	12.1
227.45854	1.9
228.23198	1.8
243.13217	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.58062	1.6
53.03940	4.2
55.01857	7.1
55.05509	30.1
56.96563	3.9
57.03424	6.1
57.07074	17.8
59.04999	3.8
61.02917	2.0
65.03930	5.2
67.05501	41.0
69.03081	2.6
69.03429	36.3
69.07063	31.6
70.06587	5.4
71.04990	24.0
72.08156	3.3
73.02917	6.2
77.01955	2.1
79.05492	47.7
80.05793	1.9
80.27773	1.7
81.03397	8.6
81.07053	36.8
83.04974	18.8
83.08624	12.6
84.08126	2.8
85.02893	3.9
85.06537	72.3
86.09708	15.4
87.64117	1.6
91.05476	35.5
92.05788	1.8
93.07040	60.3
93.07631	3.5
95.04960	25.7
95.08606	32.3
96.04476	2.1
97.02914	2.1
97.06526	19.5
97.10163	7.2
98.06060	1.8
98.97565	2.0
99.04454	6.2
99.08090	9.4
100.11258	36.7
103.05470	3.5
105.04526	1.8
105.07025	43.7
107.04949	13.6
107.08588	100.0
108.08954	2.2
109.06512	19.4
109.10152	22.0
111.04434	17.0
111.08097	8.6
114.06580	1.9
115.03918	16.1
115.05467	2.3
116.98592	3.5
117.06986	9.9
119.04948	4.6
119.05878	1.8
119.08578	29.6
121.06509	23.8
121.10138	56.2
121.63330	2.2
123.04442	5.8
123.08054	21.3
123.11691	7.7
125.05985	9.8
125.09652	9.2
127.03899	1.7
128.06239	2.3
129.05466	8.1
129.06995	7.1
130.07794	3.0
131.08562	55.0
133.10132	29.8
134.99655	2.6
135.08060	14.9
135.11690	13.3
137.05972	3.5
137.09613	13.7
137.13234	4.8
139.07529	5.6
139.11237	9.7
140.04668	7.6
143.07004	5.4
143.08580	4.0
145.10120	26.8
147.04396	6.5
147.08035	4.8
147.11703	9.1
149.05951	4.9
149.09604	55.5
149.10742	3.6
149.13248	26.7
151.11169	16.1
153.05479	3.0
153.09067	5.5
155.07027	7.8
158.10919	4.1
161.13261	5.8
163.11172	16.4
163.14798	17.4
165.05557	2.0
165.09157	7.4
165.12723	2.2
167.07030	21.9
167.10667	24.9
173.09602	4.0
173.13257	19.1
177.05458	2.7
179.14319	5.5
181.04912	10.9
181.07521	4.4
182.15367	3.9
191.10667	33.4
191.12440	2.6
191.12770	2.1
191.14256	18.0
195.06529	2.9
197.15404	5.6
209.08060	8.5
209.09775	2.7
209.11711	23.8
209.15181	12.2
210.14865	6.9
227.12701	6.2
227.16415	6.5
228.15991	2.9
229.75537	2.3
239.08989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	9.1
55.01872	10.5
55.05510	36.3
57.03415	9.5
57.07079	52.6
61.02922	7.5
63.90029	5.3
67.05491	28.2
69.03429	100.0
69.07067	41.7
70.92771	14.6
71.04982	11.4
73.02887	9.3
79.05480	29.5
81.07047	38.6
81.44923	4.9
83.04974	36.4
83.08613	18.4
85.02872	5.7
85.06533	15.3
86.09678	18.4
91.05480	31.8
93.07053	51.3
95.04950	20.9
95.08596	46.1
97.02876	5.6
97.06518	22.9
97.10152	13.4
99.08087	6.0
100.11259	37.4
101.05938	6.1
105.07011	35.0
106.45612	4.7
107.08577	44.5
109.06484	13.3
109.10136	25.5
109.79698	4.6
111.04431	13.4
111.08068	6.3
115.03918	66.0
117.07005	6.3
119.08578	14.8
121.06502	26.0
121.10134	30.3
123.04392	9.5
123.08051	14.8
123.11691	7.8
124.05221	26.2
124.74061	5.3
125.05979	17.5
125.09587	7.5
129.05473	40.4
131.08527	25.5
133.10112	38.3
135.11674	15.0
137.05954	8.9
139.07555	36.3
143.07007	21.8
145.10132	13.9
147.11636	5.4
149.05975	16.6
149.09583	6.1
151.11162	10.2
153.09065	14.0
155.07056	5.9
161.13182	19.7
163.14778	19.7
164.04649	6.7
165.05487	33.0
167.07089	49.7
167.10760	6.4
170.63461	5.3
173.13286	25.1
177.05470	7.8
179.07062	9.9
179.14272	16.0
181.08594	11.3
181.15797	5.3
183.12454	16.7
191.06996	10.7
191.14268	19.7
197.15366	18.4
209.08060	7.2
209.15193	12.1
227.16415	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03938	1.7
55.01860	3.0
55.05510	8.7
56.37103	0.6
56.96547	2.1
57.03428	1.9
57.07074	6.2
59.05013	0.8
63.85574	0.6
65.03939	1.1
67.05505	20.7
69.03423	3.1
69.07066	10.5
71.04993	13.1
71.56849	1.2
73.02890	0.7
77.03953	1.0
79.05492	22.5
80.29527	0.7
81.06583	0.9
81.07053	12.5
81.52238	0.7
83.04973	6.9
83.08630	3.5
84.46130	0.6
85.06542	53.7
86.06886	0.9
86.09698	2.2
87.04488	0.9
91.05477	15.7
93.07037	22.3
95.04969	17.7
95.08608	9.1
97.02882	0.8
97.06526	100.0
97.10164	2.2
98.06861	1.2
99.04450	3.3
99.08091	5.3
100.11248	6.3
103.05454	1.4
105.06493	0.4
105.07031	14.9
107.04964	6.9
107.08591	33.0
109.06509	12.2
109.10152	7.3
109.93434	0.7
111.04438	8.0
111.08089	5.3
115.05454	1.1
115.07617	0.8
116.06300	1.0
116.98619	1.4
117.07005	5.0
119.08577	11.4
121.06503	10.2
121.10140	22.3
123.04427	2.2
123.08069	5.8
123.11706	2.2
125.05984	5.4
125.09624	2.7
127.03901	1.3
127.07572	0.9
127.11185	1.2
128.06178	0.7
129.07001	4.4
130.07759	1.4
131.08560	38.2
132.08905	0.6
133.06494	0.9
133.10123	10.8
135.08034	4.1
135.11676	4.6
137.05963	1.5
137.09621	6.5
137.13264	1.2
139.07535	1.7
139.11186	3.6
141.05478	0.7
143.08560	1.7
145.06429	1.0
145.10115	18.9
147.08044	3.5
147.11690	2.9
149.05975	1.8
149.09615	40.8
149.13248	5.8
150.10054	0.7
151.11185	4.9
153.05478	3.0
153.09108	4.0
155.07018	1.9
161.09752	0.8
161.13248	1.4
163.07542	1.7
163.11182	14.1
163.14767	4.1
165.09073	6.0
167.07057	5.3
167.10669	18.2
167.14394	0.6
169.12238	2.3
171.10237	1.2
173.09669	3.7
173.13242	5.3
177.05479	1.3
179.10803	1.1
181.04935	1.2
181.15750	0.8
191.08923	1.4
191.10666	28.1
191.14278	5.0
209.08395	1.4
209.11722	24.9
209.15379	3.3
227.10811	1.1
227.12772	6.8
227.16490	2.0
228.10190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	1.7
55.01867	2.6
55.05508	7.4
56.64663	0.6
57.03422	1.6
57.07076	4.3
59.67698	0.7
65.03928	1.5
67.05502	17.1
69.03426	3.3
69.07067	8.7
70.69439	2.5
71.04640	1.2
71.04990	11.2
79.05489	21.5
81.03413	1.4
81.07059	10.0
83.04980	5.3
83.08617	2.8
85.02894	0.8
85.06538	44.6
86.09703	1.7
91.05472	11.8
93.07040	18.8
94.04215	0.6
95.04961	17.0
95.08604	7.7
97.06525	100.0
97.10138	1.1
97.51532	0.7
98.06852	0.7
99.04456	3.1
99.08103	4.5
100.11243	3.4
101.09624	0.7
103.05440	1.0
105.07031	14.6
107.04951	7.6
107.08588	27.1
109.06513	12.2
109.10172	6.9
109.77000	0.8
111.04431	4.8
111.08073	4.1
115.05396	1.4
115.07642	0.9
116.06242	1.6
116.98604	1.2
117.06985	4.8
119.08575	11.9
119.35091	0.7
121.06512	8.8
121.09320	1.3
121.10136	17.0
123.04430	0.8
123.08040	4.1
123.11703	1.7
125.06001	5.1
125.09627	2.6
127.02428	0.6
127.03855	0.6
127.07528	1.7
127.11160	0.8
129.07018	3.1
130.07811	1.0
131.08560	29.9
133.10124	8.5
135.08067	3.9
135.11676	4.6
137.05983	1.2
137.09621	5.7
139.07555	1.4
139.11169	2.5
143.08638	1.0
145.10110	13.8
147.08037	3.2
147.11710	2.7
149.05991	1.2
149.09613	31.1
149.13211	6.0
151.07446	0.8
151.11163	4.1
153.05449	1.4
153.09131	4.4
155.07051	1.4
158.10942	0.8
163.07549	1.9
163.11183	9.6
163.14806	4.0
164.91838	0.6
165.09125	5.2
165.12735	1.0
167.07068	5.9
167.10680	15.6
169.12286	1.8
173.09596	3.4
173.13274	4.4
177.05452	1.3
179.10712	1.3
191.10658	21.7
191.14320	4.1
200.25308	0.8
209.08351	0.7
209.11710	18.6
209.15199	4.2
227.10637	0.9
227.12653	5.6
227.16307	1.3
228.10323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01870	15.2
55.05511	59.5
56.96583	12.2
67.05485	35.9
69.07056	33.2
70.36269	55.8
70.72870	12.3
79.05467	66.8
81.07053	62.9
83.08614	39.5
85.08007	12.2
87.10046	12.7
88.49721	11.9
91.05465	24.8
93.07050	59.3
95.04949	17.5
95.08614	78.1
97.10117	16.4
98.97583	16.2
99.04421	21.7
100.11215	37.9
103.05447	14.5
105.07012	21.6
105.12652	13.9
107.04945	16.6
107.08578	46.5
119.08591	16.1
121.10130	29.3
125.09615	16.0
135.11673	69.5
143.08592	21.0
145.10086	48.9
149.06003	16.2
157.10056	15.0
163.11185	95.0
167.07022	45.1
171.11700	25.5
181.12218	13.1
185.13222	25.4
212.14340	33.4
222.24831	13.4
227.10643	21.6
227.12660	94.7
227.17906	29.5
228.17424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.05505	5.8
57.07078	6.9
62.18412	2.7
62.93424	3.1
67.05497	30.8
69.07055	5.9
70.04891	14.1
71.04986	20.3
79.05491	34.4
81.07045	10.4
83.04955	8.9
85.06537	100.0
91.05482	18.5
92.10923	2.9
93.07045	27.5
95.04982	23.2
97.06527	6.9
98.20808	3.6
99.04447	4.8
99.08067	5.4
105.07012	20.6
107.04943	11.7
107.08578	34.2
109.06516	9.2
111.04450	17.0
117.07002	4.7
117.77736	3.2
119.08584	18.1
121.06484	17.4
121.10146	24.3
123.04415	3.8
125.05996	8.4
125.80312	3.0
129.06982	8.4
131.08566	65.3
133.10129	7.1
135.11725	4.2
137.09631	6.4
145.10101	26.6
147.04446	6.1
147.08011	6.8
149.09608	77.6
153.05478	3.6
153.09108	5.1
155.07085	5.7
163.11177	29.4
165.09122	11.0
167.10683	36.7
173.09641	9.8
179.10583	3.2
181.05046	7.0
191.10663	56.7
209.11717	48.4
220.92546	3.2
227.12648	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.10165	1.2
53.03942	2.5
54.74288	1.7
55.01863	4.4
55.05505	16.3
56.96558	3.5
57.03414	4.9
57.07068	7.6
59.04977	2.0
65.03944	3.7
67.05502	35.2
69.03423	5.1
69.07063	15.4
69.50336	12.6
70.06572	1.7
71.04989	23.3
72.08151	1.5
77.77443	1.3
79.05487	36.2
79.62337	1.8
81.07053	18.8
83.04993	9.5
83.08600	8.2
85.02885	1.9
85.06540	100.0
86.09693	5.8
87.04425	1.6
91.05479	20.7
93.07037	32.6
95.04968	30.4
95.08595	10.9
97.06525	80.9
97.10197	3.3
99.04454	6.1
99.08096	7.8
100.11269	12.4
105.07017	21.1
107.04962	15.4
107.08588	51.1
109.06505	14.9
109.10109	7.8
111.04447	12.3
111.08081	5.3
114.09148	2.3
115.05444	1.9
117.07011	10.5
119.08585	23.1
121.06497	19.9
121.09319	2.5
121.10139	30.1
123.04437	2.8
123.08069	4.6
123.11732	2.6
125.06011	8.5
125.09625	5.7
127.03928	1.9
127.07529	2.5
129.06969	7.4
130.07774	2.0
131.07585	3.3
131.08563	63.3
133.10156	12.5
134.99701	2.2
135.08060	5.5
135.11702	8.5
137.05956	2.5
137.09644	9.2
137.13264	2.7
139.07561	3.1
139.11153	2.0
141.05460	1.9
143.08568	1.6
145.06494	2.3
145.10106	29.2
147.08057	5.8
147.11713	3.9
149.05968	3.1
149.09613	72.9
149.13245	6.0
151.11201	4.1
153.05434	4.2
153.09067	7.3
155.07013	3.6
155.08554	2.1
163.07559	2.9
163.11189	22.3
163.14827	4.3
165.05388	1.8
165.09111	10.0
165.12740	2.0
167.07014	13.0
167.10658	31.0
173.09673	6.2
173.13263	6.7
177.05472	3.0
191.10661	53.4
191.14320	6.9
209.08136	3.0
209.11736	36.4
209.15334	5.6
227.07089	2.0
227.10654	3.2
227.12599	10.2
227.16348	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01854	4.1
55.05510	6.7
57.03425	3.7
57.07069	8.0
67.05175	2.0
67.05502	30.3
69.03434	2.2
69.07059	9.3
69.69921	4.8
69.70332	4.3
71.04996	20.8
74.85822	1.2
77.03941	1.4
79.05063	2.2
79.05491	35.2
81.07050	12.6
83.04979	10.6
85.06542	100.0
89.18318	1.3
91.05479	26.1
93.07042	31.3
95.04974	11.0
95.08619	7.8
97.06522	7.7
98.21490	1.7
99.08074	4.7
105.07029	27.0
107.04959	15.6
107.08592	40.0
109.06526	9.5
109.10191	3.2
111.04447	13.0
113.06004	1.4
115.05369	2.1
116.06271	2.0
117.07017	9.3
119.08565	21.0
121.06499	14.5
121.09304	2.4
121.10140	27.5
123.04412	3.2
123.08057	5.4
125.05991	8.6
125.72497	1.4
129.06165	1.3
129.06973	8.7
130.07796	2.2
131.08565	77.0
133.06509	1.9
133.10109	8.5
135.04388	1.4
135.08034	5.3
135.11684	5.5
137.09645	9.8
139.07553	2.5
139.11124	1.6
140.04672	1.4
141.05402	1.8
145.10118	30.7
147.08044	6.9
147.11714	4.0
149.05946	1.7
149.09615	71.0
149.13266	4.1
152.89789	1.2
153.05464	2.5
155.06958	3.5
155.08554	2.1
163.07535	4.2
163.11174	24.7
163.14822	2.1
165.09100	12.9
167.07037	1.8
167.10670	29.5
173.09610	7.4
173.13271	2.7
179.10635	2.1
181.04929	1.9
191.10674	47.6
191.14293	3.1
209.11743	37.7
213.93088	1.4
227.12772	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	227.1064
Annotation	Pinosylvin methyl ether
Peak:m/z	Relative Intensity
53.03934	2.0
55.01851	3.0
55.05506	6.0
56.96555	1.9
57.07056	0.8
64.00364	0.8
65.03928	2.5
67.05485	3.4
68.91443	0.7
68.99774	1.7
69.03418	2.1
69.07048	3.2
71.05016	1.0
71.57928	0.8
77.97791	0.8
79.05489	5.6
81.07037	3.7
83.04972	2.2
83.08612	2.6
85.02883	2.7
85.06516	0.9
87.19500	0.8
91.05471	67.9
92.05788	1.0
93.07032	5.5
95.04953	8.9
95.08585	2.3
97.02895	9.8
97.10142	3.2
97.35704	0.8
99.04459	4.9
100.11240	2.6
103.05458	13.7
104.06232	1.3
105.03367	3.9
105.07026	12.5
107.04932	13.8
107.08590	2.0
109.02861	1.1
109.06476	1.1
109.10120	1.6
111.04458	1.0
115.05442	21.4
116.06290	0.9
117.07008	100.0
118.07345	1.4
119.08580	1.9
121.02870	2.1
121.06497	37.8
123.04418	17.5
125.09633	2.7
128.06206	6.6
129.06036	1.4
129.06990	20.2
131.08557	16.4
134.03574	1.8
135.04410	14.3
141.06975	8.7
142.07730	2.5
143.08545	28.2
145.06476	1.4
145.10120	2.2
149.05969	23.6
149.09506	1.0
152.06192	9.6
153.07011	1.9
155.08534	3.7
156.09302	1.1
157.06471	3.3
157.10124	5.3
159.11693	0.9
165.06996	19.5
166.07762	16.0
167.07097	3.2
167.08533	19.8
169.06488	2.1
171.07916	1.3
171.11711	2.2
176.06221	3.0
177.06970	8.2
178.07770	6.6
179.08565	2.6
181.06506	3.1
181.10130	5.1
183.07982	4.5
185.09564	1.8
185.13228	2.9
191.08652	0.9
194.07239	14.7
195.08040	10.1
196.08792	3.1
197.05939	2.5
199.11215	4.8
209.09616	5.7
209.11371	0.9
211.07539	10.0
212.08308	16.3
227.07045	2.7
227.10654	68.6
227.12578	3.3
227.14378	2.7
227.17953	6.7
228.10947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1024
Annotation	carbidopa
Peak:m/z	Relative Intensity
53.03941	1.9
55.01874	2.3
55.05511	8.1
56.05019	2.9
56.96560	6.8
57.03429	2.0
57.07074	1.6
59.65970	1.2
60.04525	1.1
65.03938	2.2
67.05510	5.9
68.05003	1.8
69.03408	3.7
69.07061	10.8
70.06586	10.4
71.04974	1.5
71.47599	1.9
72.08135	2.5
73.02920	1.5
73.72264	1.1
74.62481	1.1
79.05491	10.0
80.05002	7.4
81.03423	1.2
81.04548	2.3
81.07030	1.8
82.03811	1.3
82.05338	1.9
82.06578	5.8
83.04980	1.7
83.06100	2.4
83.08602	5.8
84.04492	11.7
84.08129	7.4
85.02902	2.2
86.09694	4.0
91.05455	2.7
92.05006	6.8
93.05769	3.3
93.07027	2.7
94.06020	1.9
94.06567	18.9
94.87219	1.0
95.04958	7.0
95.06074	3.3
95.08589	2.0
96.04504	1.6
96.08111	4.4
96.90065	1.1
97.02874	2.6
97.06524	2.5
97.10155	3.1
98.06027	1.8
98.97580	2.9
100.11261	1.1
104.04982	4.1
106.06539	16.7
107.03690	3.7
107.04942	3.0
107.08590	1.7
108.05293	1.1
108.06857	2.2
109.05329	1.5
109.06503	1.6
109.07634	21.8
110.06036	12.8
110.07192	2.6
111.04424	1.2
111.05554	1.7
111.09171	2.6
112.07616	2.8
113.02372	1.3
113.64380	1.0
115.76011	1.3
116.07095	10.0
116.98582	1.9
120.03607	2.1
120.04447	21.9
121.06626	2.2
121.07610	20.1
122.06023	10.1
123.04423	4.4
123.06797	3.9
123.08239	1.4
123.09179	25.4
124.07597	14.2
127.08683	2.2
133.07594	2.1
134.99648	4.4
135.04475	1.4
136.07579	2.3
137.04753	7.9
137.06033	2.3
137.07060	7.0
138.05493	42.8
138.09076	1.2
139.08647	55.9
140.07066	17.0
141.10217	3.8
149.05997	1.5
149.07053	2.0
150.05501	5.4
150.06575	1.3
151.08702	3.8
153.00751	1.2
155.06990	1.5
155.08171	2.1
157.09731	1.5
158.08081	2.1
163.08659	10.0
164.07079	4.2
165.10240	2.6
167.07027	9.4
167.08212	3.0
168.06593	10.4
170.05165	1.8
179.08183	1.8
181.05109	1.3
181.09708	60.3
182.09926	1.1
185.09207	100.0
186.07642	5.0
186.09262	1.5
191.35226	1.1
197.09262	1.6
209.09233	4.3
227.06937	2.7
227.10266	49.1
228.10524	1.8
245.03224	1.9
247.01395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
51.58132	0.5
53.03930	1.6
55.01871	5.2
55.05497	2.1
57.03429	0.8
57.07074	0.6
57.13488	0.5
65.03935	7.9
67.05499	4.6
68.99800	0.7
69.03409	2.4
69.07054	1.3
69.63920	4.4
71.04974	1.0
73.02914	40.1
79.05479	2.2
81.03397	0.6
81.07045	1.9
82.04198	3.2
83.04983	1.2
83.08629	0.6
85.02896	5.6
85.06529	2.7
85.19486	0.6
86.09690	1.1
86.46514	0.5
88.13246	0.5
91.03928	0.8
91.05469	3.4
92.23099	0.6
93.03408	1.5
93.07042	2.7
95.04966	9.2
95.08573	1.7
97.02877	1.1
97.06532	3.3
99.04465	0.6
99.08067	1.0
100.11255	3.8
103.05426	0.9
105.03429	0.6
105.07014	1.1
107.04948	1.5
107.08582	3.0
108.02084	1.4
109.06493	1.0
109.10125	0.9
110.03644	3.7
111.04418	2.3
119.04937	0.8
119.08542	1.1
121.06482	2.1
121.10133	2.1
123.00751	0.7
123.04419	8.3
125.02339	3.2
125.05995	2.9
125.09612	0.8
131.08553	1.9
133.10075	1.4
135.08012	0.6
135.10678	0.5
138.03122	1.8
140.04675	53.4
141.05025	0.7
142.02602	2.3
143.08511	0.7
145.10097	1.4
149.05934	0.5
149.09569	2.6
153.05470	1.9
155.07019	50.1
156.07327	0.9
163.11273	0.7
163.14813	0.8
166.06230	0.7
167.07011	2.5
167.10637	1.1
171.06509	8.5
171.07896	0.9
173.08090	5.9
179.07068	3.2
181.04945	100.0
181.08415	3.2
182.05258	1.6
191.10629	0.9
191.14355	0.7
196.80342	0.7
209.08075	19.2
209.11609	1.3
227.06969	0.8
227.09131	9.0
236.68451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Genipin
Peak:m/z	Relative Intensity
53.03933	3.4
55.01871	11.2
55.05305	1.1
55.05510	12.8
56.05013	1.1
56.96555	2.5
57.03429	4.4
57.07064	3.7
60.62682	1.1
61.02913	2.9
65.03931	8.5
67.05225	1.2
67.05504	14.1
69.03432	6.3
69.07058	8.4
70.06575	1.5
70.49020	2.3
70.49419	2.7
71.05013	7.3
73.02502	1.8
73.02917	37.3
74.06034	1.3
79.05483	16.0
81.03421	3.4
81.07048	13.3
82.04206	3.1
83.01328	1.8
83.04980	4.3
83.08612	5.0
84.08135	2.4
85.02906	8.6
85.06538	13.0
86.09718	12.1
91.03947	1.4
91.05473	14.4
93.07030	15.6
94.04215	1.3
95.01331	2.1
95.04966	18.6
95.08579	6.3
97.02878	3.7
97.06533	8.8
97.10164	2.1
98.97552	1.3
99.04431	2.1
99.08073	3.3
100.11254	23.1
103.03957	2.5
103.05486	6.3
105.07019	8.5
107.04983	6.4
107.08591	12.4
109.06529	9.3
109.10133	4.7
110.03649	4.9
110.07133	1.8
111.04427	7.4
111.08009	1.3
113.02351	4.9
115.03864	1.3
115.05463	1.4
116.98589	1.8
117.07009	1.6
119.04925	1.6
119.08564	7.5
120.05643	1.8
121.06520	14.6
121.10143	9.3
122.03629	1.4
123.04435	18.8
123.08063	4.1
123.11726	1.8
124.05219	9.6
125.02370	8.6
125.05986	8.5
125.09631	4.2
128.06207	1.3
128.98572	1.4
129.05566	1.2
129.06979	1.4
131.04865	2.2
131.08574	11.3
133.10127	4.4
134.99664	1.6
135.04405	1.2
135.08076	3.2
135.11636	1.8
137.05965	2.5
137.09644	1.8
138.03149	2.8
138.06848	1.4
139.07547	12.6
139.11139	1.1
140.04678	55.1
141.05467	1.2
142.02658	2.8
143.10643	1.8
144.37631	1.3
145.10112	4.6
147.04414	2.1
147.07967	1.5
147.11691	1.8
149.05969	10.4
149.09631	10.9
149.13252	2.6
151.07532	2.6
151.11279	1.4
153.05446	2.8
153.09109	2.0
155.07025	55.7
157.07626	2.5
161.13284	1.3
163.07561	3.3
163.11186	2.6
163.14827	1.8
164.04753	2.4
165.05510	11.0
165.09064	1.5
166.06195	1.5
167.07022	12.5
167.10703	3.9
171.06519	7.6
173.08229	5.9
173.09473	1.8
173.13231	2.7
177.05429	4.8
179.07036	6.7
181.04951	100.0
181.08636	7.4
182.05264	2.5
191.07016	6.9
191.10637	5.7
191.14302	2.5
209.08093	26.6
209.11566	6.6
209.15300	3.8
209.16754	2.2
210.08434	1.2
210.14885	3.0
227.07164	2.1
227.09099	14.8
227.12543	1.8
227.17503	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	226.1073
Annotation	3-hydroxy-5-methyl-o-methyltyrosine
Peak:m/z	Relative Intensity
50.95411	0.3
51.16590	0.3
54.67538	0.3
55.01857	0.6
55.05499	0.7
56.05020	0.4
56.96553	0.6
57.03418	0.4
65.03921	0.7
67.05490	0.9
69.03422	0.7
69.56026	2.7
69.62918	0.3
70.02943	0.4
70.06586	0.7
71.04965	0.3
72.04499	1.5
72.08138	0.5
73.02921	3.0
79.05484	2.5
81.03400	0.3
81.07047	2.3
82.06570	0.5
83.04987	0.6
84.08128	0.9
86.06062	0.5
86.09678	1.1
87.04444	0.3
90.05545	1.0
91.05478	19.6
92.05791	0.4
93.07033	1.1
95.04972	1.6
95.08613	0.4
97.06544	0.7
97.07600	0.4
105.03348	0.3
105.07012	0.4
107.04952	2.6
107.08575	0.7
109.06508	3.8
109.10184	0.4
111.04448	0.4
116.98610	0.6
119.04945	11.3
119.08588	0.4
120.05574	2.6
120.08933	0.5
121.06535	0.9
121.10109	0.7
123.04414	0.5
124.03940	0.6
124.07590	0.9
125.05968	0.8
128.07080	0.5
134.99626	0.4
136.07559	0.8
137.05971	100.0
138.06337	1.4
138.22299	0.3
139.07469	0.4
149.01094	0.3
151.07494	0.5
152.07010	0.5
154.07368	0.7
154.08623	15.1
167.07056	1.1
180.10222	1.1
181.04900	0.4
183.06784	0.4
208.09740	1.4
208.14044	0.6
209.08168	0.6
226.10907	6.7
226.14397	0.6
227.10855	0.4
228.03853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0815
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
52.31946	0.9
55.01865	2.0
55.05509	6.6
56.96556	2.4
57.07058	2.2
61.26797	1.0
65.03916	1.1
67.05499	3.1
67.13038	1.1
67.37521	0.9
69.03421	1.2
69.07067	9.6
70.06591	1.4
70.33675	3.5
70.34042	2.1
79.05490	3.5
81.07052	2.5
83.08611	4.4
84.04521	1.0
84.08112	1.3
86.09689	3.3
91.05462	4.1
92.05797	2.4
93.07053	2.4
95.04962	3.2
96.00621	1.3
97.01099	1.2
97.02882	1.4
97.06514	1.5
97.10148	3.9
98.97546	1.0
103.05465	1.5
107.04962	1.8
107.08563	1.1
109.06549	1.7
109.10152	1.3
111.05626	1.2
115.05436	1.6
117.05756	45.2
119.04927	1.1
121.06501	1.8
121.10156	1.0
125.05988	1.4
128.06195	1.6
129.07008	5.1
130.06522	51.8
134.99609	1.6
136.07562	1.3
137.05983	4.8
138.06317	9.2
141.05687	1.6
142.06552	1.7
143.06201	1.7
143.07304	24.9
146.06064	1.5
148.07552	2.8
151.03897	1.2
152.07048	4.2
153.07864	1.1
154.06509	13.0
154.08633	1.4
155.07199	1.5
156.08076	19.6
157.07623	18.8
158.06015	10.1
159.06755	1.3
166.08588	1.7
167.07059	11.0
169.05241	5.5
170.75919	1.0
171.09145	1.1
181.04985	1.1
181.07558	10.0
182.05991	4.3
182.08286	4.8
183.09192	11.1
185.07104	100.0
186.07384	1.3
187.06277	2.5
191.10620	1.2
200.07010	2.2
209.07033	8.2
210.05519	1.0
227.08173	23.0
227.10204	1.8
227.13875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.66847	2.4
53.98049	2.3
55.05500	7.2
56.17010	2.2
67.05502	7.5
69.03417	8.0
69.07063	4.3
70.72704	7.7
71.04987	9.9
79.05501	19.1
81.07053	17.2
83.04984	4.8
84.92486	2.6
85.06536	8.2
91.05478	24.4
93.07038	44.0
94.07414	2.9
95.04948	7.5
95.08610	8.2
97.06548	8.5
99.04448	4.9
105.07032	44.8
107.08590	100.0
109.06516	26.3
109.10129	14.4
111.08088	3.5
117.07008	2.7
119.08578	39.8
121.06499	26.2
121.10141	46.9
123.08067	9.6
125.09602	2.9
128.79903	2.1
129.06976	5.0
131.08551	19.6
133.06473	2.6
133.10138	7.3
135.08076	4.1
135.11646	3.3
137.09616	54.0
143.08586	6.8
145.10129	9.7
147.08064	9.7
147.11693	36.6
149.09618	54.6
149.13245	20.1
156.09290	5.2
159.11723	13.6
161.09572	3.8
161.13258	27.7
165.12779	6.2
167.10675	74.1
168.10907	2.8
171.11659	13.0
177.12770	34.8
189.12727	40.8
207.13779	32.1
217.69370	3.0
225.14917	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.62467	4.4
53.95160	4.4
55.01881	4.7
55.05518	24.6
56.96552	5.4
57.03429	11.3
57.07083	8.5
66.79270	4.6
67.05512	25.2
69.03420	15.9
69.07061	15.8
70.07976	4.6
71.01350	11.9
71.04987	19.2
71.56186	7.5
71.56559	6.1
79.05476	24.3
80.24131	4.9
81.07053	56.7
83.04994	23.6
83.08629	8.2
85.02885	24.8
85.06538	8.4
91.05476	32.9
93.07051	32.5
95.04981	22.4
95.08611	70.0
97.06525	21.6
99.04446	9.1
105.03394	6.2
105.07016	55.7
107.04964	9.1
107.08588	54.7
108.21687	4.7
109.06509	32.5
109.10162	28.9
111.04443	12.9
111.08076	11.3
113.09653	5.0
117.98637	5.5
119.04951	10.2
119.08575	53.3
120.05506	5.7
121.06511	9.8
121.10145	36.3
123.04397	8.6
123.08069	81.5
123.11717	25.1
125.05971	10.5
125.09629	15.3
131.08589	13.6
133.06505	14.6
133.10167	16.6
135.11717	12.9
137.06065	4.9
137.07973	7.9
137.09627	21.4
137.13266	11.3
139.07533	7.5
143.08551	8.6
145.10130	11.3
147.04410	7.3
147.08060	16.7
147.11740	27.7
149.09619	100.0
151.07510	32.8
151.11140	6.6
156.09357	10.4
158.01472	5.2
160.12582	5.6
161.09657	19.4
161.13246	48.8
163.11208	14.4
165.07445	7.4
165.09184	11.1
165.12787	13.5
166.08646	8.4
167.10628	8.0
171.11670	13.6
174.10449	10.2
175.03931	6.4
179.14284	21.9
189.12743	93.5
207.06581	14.0
207.10268	6.6
207.13795	87.1
208.13408	18.7
225.14682	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.6
55.05505	7.1
57.07068	6.9
59.05001	4.2
65.03928	1.1
67.05508	5.5
69.03434	1.7
69.07066	11.4
70.73203	3.5
71.01344	4.3
71.04992	41.9
79.05488	6.3
81.03405	2.3
81.07059	11.5
83.04974	4.0
83.08620	7.4
85.02894	2.2
85.06535	2.4
87.04459	1.3
91.05485	5.7
93.07033	7.6
95.04957	3.4
95.08604	12.1
97.06522	14.7
99.04450	100.0
99.08085	2.9
105.03385	1.9
105.07030	10.1
107.04900	1.2
107.08593	39.5
109.06517	22.8
109.10157	3.0
111.04429	2.5
111.08101	3.8
111.11736	5.2
113.06004	1.2
113.09628	3.7
119.04915	1.4
119.08592	5.5
121.06531	1.4
121.10155	15.5
123.08057	19.7
123.11700	21.3
125.06009	2.6
125.09628	9.2
131.08540	2.0
133.10158	2.8
135.11659	1.3
137.05954	1.7
137.09619	2.6
137.13239	2.8
139.11211	3.1
141.09213	1.2
141.12724	2.0
147.08066	1.2
147.11674	8.0
149.09612	9.6
151.07536	2.6
152.10683	1.0
153.12712	1.6
161.09613	1.6
161.13254	2.1
163.11156	2.1
165.12753	11.7
167.10692	19.9
175.03894	1.4
179.14227	1.7
183.13803	33.4
184.22546	1.0
189.12680	2.5
190.61147	1.0
207.10225	1.4
207.13760	6.8
225.14743	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	1.8
55.05513	8.5
56.96560	2.0
57.03426	3.0
57.07072	3.3
59.04995	10.6
65.03922	2.5
67.05503	12.2
69.03421	14.5
69.07066	14.5
69.45595	9.5
71.04986	4.1
79.05483	15.9
79.13779	1.1
81.03419	1.8
81.07050	21.4
83.04981	12.7
83.08618	4.6
85.02907	1.6
85.06540	1.5
87.04468	11.1
91.05472	18.2
93.07037	47.1
95.04951	12.6
95.08600	19.5
97.02874	1.2
97.06516	6.6
97.10147	1.3
99.04463	4.8
101.06001	1.7
105.03392	2.7
105.07024	38.4
107.04952	2.5
107.08590	35.4
109.02927	1.3
109.06514	13.8
109.10128	7.6
111.04484	2.1
111.08079	8.2
115.05463	1.7
115.07548	1.3
116.07887	1.1
117.06996	4.5
119.04911	4.9
119.08572	22.1
121.06487	4.4
121.10140	11.0
123.04446	1.9
123.08057	16.0
123.11649	5.5
125.05975	1.1
125.09612	1.9
128.06197	1.5
129.06947	2.8
131.08537	5.3
133.06499	4.6
133.10132	9.9
135.08075	2.1
135.11684	2.1
137.06006	4.5
137.09607	7.7
139.11195	5.5
139.19429	1.1
141.09099	2.1
143.08556	5.6
145.10141	4.5
147.04422	1.8
147.08061	6.8
147.11658	15.2
149.09624	9.6
151.07573	3.1
151.11174	89.5
152.11560	1.3
156.09343	5.6
159.11681	5.3
161.09569	5.1
161.13254	16.0
163.11174	3.5
165.09102	1.4
165.12794	2.8
167.10683	2.9
171.11713	6.9
174.10413	2.9
175.03981	1.9
177.12691	6.8
179.14272	4.1
183.13852	1.7
189.12721	22.4
196.40781	1.1
207.06523	2.0
207.13792	100.0
208.14148	1.2
225.09184	1.8
225.14812	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05494	7.6
61.78337	2.0
67.05499	10.4
69.03400	7.7
69.07030	4.3
69.55830	6.1
69.56257	7.6
71.04974	10.2
79.05490	20.4
81.07052	22.8
81.29325	1.9
83.04965	3.2
85.06526	8.6
91.05472	21.8
91.83822	1.9
93.07039	48.6
93.07620	2.9
95.04958	5.0
95.08583	8.0
97.06525	6.3
99.04423	4.3
99.08062	4.7
105.07023	50.4
107.04920	3.7
107.08586	100.0
109.06534	19.9
109.10185	16.5
111.08056	2.5
117.06989	3.5
119.07708	2.1
119.08569	40.3
121.06505	25.3
121.10139	44.3
121.55838	2.0
122.07262	2.3
123.08064	8.1
125.05934	2.6
125.09605	4.9
128.45721	2.0
129.07042	3.2
131.08551	21.2
133.10121	10.9
135.08049	4.8
135.11702	3.0
137.09607	54.1
143.08545	4.2
145.10083	8.0
147.08083	10.8
147.11674	37.5
149.09610	58.8
149.13260	17.4
156.09303	3.4
159.11678	11.2
161.09595	3.6
161.13240	29.7
163.11195	4.5
165.12727	7.7
167.10660	62.4
171.11679	9.7
177.12724	31.3
180.54927	2.0
189.12708	31.9
207.13800	30.7
214.51318	2.4
219.06931	2.4
225.14796	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.01619	4.0
55.05510	8.0
59.67754	4.0
67.05495	15.3
69.07063	9.4
70.92884	9.2
70.93259	9.4
71.04992	9.1
79.05499	15.7
81.07059	32.8
83.04987	5.7
85.02967	4.0
85.06550	6.8
87.35025	3.7
91.05495	33.0
93.07039	48.0
95.04964	5.5
95.08610	25.3
97.06550	10.1
99.04467	7.7
105.07035	64.7
107.04977	4.6
107.08591	81.1
109.06542	17.1
109.10164	19.9
119.08579	54.1
121.06506	28.0
121.10143	48.4
123.08089	11.5
125.06001	6.8
125.09679	8.1
131.08577	21.9
133.10150	10.1
135.08060	8.7
137.09613	42.1
143.08586	6.3
143.55151	4.0
145.10112	9.4
147.08055	9.5
147.11696	49.2
149.09627	54.2
149.13286	8.9
156.09386	8.5
159.11699	18.8
161.13269	47.7
165.12770	6.3
167.10658	38.9
171.11690	13.6
177.12779	21.1
179.14334	19.1
183.98886	3.8
189.12749	39.7
207.13797	100.0
213.55334	4.1
225.14825	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	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23380	0.2
56.05053	0.2
56.96566	0.5
63.99514	0.2
69.47767	1.6
81.07067	0.2
82.99854	0.5
84.96034	1.0
99.04456	0.3
99.98646	0.3
101.00867	4.1
105.03405	0.3
116.98660	0.8
119.01911	46.4
120.02022	1.2
122.97800	0.5
123.98595	0.3
134.99893	3.1
136.00044	0.4
137.02945	25.6
138.03032	0.7
140.98759	1.1
141.57697	0.2
142.03511	1.9
143.94038	0.2
153.00923	3.4
154.00920	0.3
158.99849	3.3
160.04535	0.9
165.99619	0.5
175.03015	1.0
176.02597	0.5
177.00938	100.0
178.01041	7.0
179.01257	0.8
182.99770	1.5
183.06288	0.3
184.04562	0.2
190.17755	0.2
193.04022	1.8
195.01985	3.3
195.49442	0.3
199.02968	0.3
200.02524	2.9
201.00911	3.3
201.02505	0.9
201.05721	0.3
202.00970	0.3
211.52065	0.2
217.01978	0.5
217.04076	9.5
218.03789	1.1
219.01987	85.4
220.02121	10.2
221.01823	1.1
225.00821	3.4
225.02725	0.2
227.99702	0.3
237.03033	0.3
240.05563	0.4
242.03590	4.2
243.01901	8.9
244.02203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03943	4.2
55.01868	2.6
55.05503	16.1
56.96549	8.5
56.96806	2.2
57.03423	3.1
57.07067	3.5
59.04993	4.3
60.99198	1.9
62.95153	2.2
67.05503	13.5
69.03429	11.5
69.07057	7.5
71.04976	12.2
71.32030	4.0
73.06557	2.3
75.65316	2.4
77.56498	2.1
79.05484	17.9
81.03400	2.6
81.07040	11.8
83.04970	22.1
84.04505	14.6
85.02891	6.9
85.06535	2.5
87.04464	3.5
91.05470	26.9
93.07036	28.3
94.06543	11.9
95.04958	13.9
95.08164	1.9
95.08614	22.5
97.06515	7.8
98.97575	8.5
99.04444	9.7
103.05456	4.8
105.07019	45.0
107.04944	9.0
107.08587	36.6
109.06504	9.1
109.10143	6.9
111.00797	9.9
111.04404	4.8
111.08071	6.9
115.05437	3.9
116.98610	8.3
117.07014	16.4
119.08573	100.0
120.08096	3.8
121.06535	13.9
121.10120	30.7
123.04379	4.0
123.08057	22.9
123.11617	2.4
125.06003	3.3
128.06235	4.8
129.05446	2.0
129.07001	7.6
130.05045	2.9
130.07750	7.7
131.08559	19.6
133.10100	11.4
134.99644	3.8
135.04388	2.5
135.08054	28.8
135.11681	42.8
136.08678	2.9
137.09618	19.2
139.03865	6.8
143.08551	5.9
144.09320	11.5
145.06491	5.6
145.10115	26.8
147.08063	19.6
149.02328	7.8
149.05962	6.6
149.09584	6.4
149.13263	7.9
153.09100	8.3
157.10135	3.1
159.08099	6.0
159.11682	71.0
161.09598	7.4
163.03917	6.5
163.07596	3.6
163.11174	58.0
165.09106	20.1
169.10109	3.1
172.08797	8.1
175.11159	3.1
177.00690	5.3
177.12732	39.0
179.10695	3.3
181.08635	2.5
187.11183	32.4
193.51131	2.1
200.56619	2.5
205.12227	37.0
206.08156	2.7
223.06033	6.4
223.11237	5.0
223.13254	33.2
223.16777	5.5
225.04257	19.9
227.02248	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03935	6.8
55.01858	7.7
55.05515	25.8
55.25924	3.5
56.96561	6.6
57.07057	4.2
59.04984	4.6
65.19587	3.3
66.77755	3.5
67.05494	17.7
67.39607	3.3
69.03416	17.0
69.07064	7.3
69.69907	29.9
71.04983	16.7
79.05489	34.7
81.07059	26.4
83.04984	24.6
85.02906	18.2
85.03362	5.0
85.06537	11.4
88.87237	3.7
91.05476	52.0
93.07041	71.2
95.04957	21.8
95.08626	24.0
95.33607	3.8
97.06527	24.6
97.10146	5.9
98.97581	13.5
99.04459	15.7
105.07031	92.7
107.04948	17.6
107.08595	75.9
109.06528	47.2
109.10152	10.7
111.08041	5.3
115.05424	6.1
116.98604	8.9
117.07005	33.0
117.67026	4.6
119.08580	88.4
121.06517	43.4
121.10136	44.3
123.08073	42.3
125.05988	5.7
129.07008	15.3
130.07776	13.1
131.08560	33.9
133.06494	11.5
133.10136	36.5
135.08046	76.1
135.11667	31.7
136.63852	3.8
137.09595	21.4
142.07756	7.5
143.08577	6.1
144.09328	14.2
145.06476	7.8
145.10124	65.9
146.07254	6.1
147.08058	38.5
147.11676	11.3
149.02336	8.1
149.06030	9.3
149.09619	15.1
149.13264	16.8
153.09068	5.6
157.10091	14.3
158.07251	10.3
158.99652	7.5
159.08069	23.5
159.11685	98.4
161.09644	20.9
163.03955	5.7
163.07524	9.6
163.11177	64.8
165.09087	50.0
172.07423	5.2
172.08827	9.0
175.11191	99.6
177.12746	51.5
179.10733	6.0
187.11171	35.3
193.12245	9.4
205.12233	73.0
213.27893	4.0
223.13297	100.0
223.16743	4.8
225.04291	7.0
227.02168	4.6
227.48245	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	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03951	4.3
55.01862	5.2
55.05515	9.3
57.03420	4.2
57.07066	4.6
58.29944	1.6
59.04988	4.5
67.05491	15.0
68.66710	1.8
69.03422	11.7
69.07054	7.8
70.81992	2.5
70.82350	5.4
71.04973	5.8
74.98862	1.9
76.59341	1.7
79.05479	15.7
81.07047	14.1
83.04984	17.7
85.02901	3.3
85.06516	2.6
86.09699	3.5
88.73759	1.7
91.05463	35.0
93.07038	52.5
95.04964	24.8
95.08605	21.6
97.06515	7.6
98.97535	2.8
99.04473	2.9
103.05470	7.0
105.07013	30.0
107.04948	6.1
107.08581	25.6
109.06520	13.1
109.10151	8.6
111.04401	2.6
111.08076	5.6
111.83456	2.0
113.05937	2.5
115.05457	2.9
116.98602	4.5
117.07037	11.0
119.04944	3.2
119.08571	26.7
120.97878	2.2
121.06502	100.0
121.10119	22.7
122.06814	2.0
123.08047	20.5
125.09596	5.3
126.01157	1.9
127.07533	1.7
129.06995	7.0
130.07761	4.1
131.04903	2.7
131.08549	15.8
133.06485	3.7
133.10121	10.1
134.99623	2.3
135.04396	2.0
135.08052	20.0
135.11674	10.2
137.05952	6.0
137.09573	8.4
137.76935	1.9
139.07529	7.2
142.07787	3.7
143.08543	5.1
144.09366	6.8
145.06471	2.5
145.10112	18.7
147.08026	12.5
147.11613	3.1
149.02348	8.3
149.05916	3.1
149.09612	40.2
149.13258	4.0
151.11040	2.6
153.09103	6.9
157.10107	6.8
159.01024	1.8
159.08049	2.3
159.11681	26.3
161.09642	6.5
163.03915	5.7
163.07521	6.3
163.11168	15.5
164.07057	15.8
165.09152	13.5
169.10150	1.9
172.08827	5.0
175.11180	17.2
177.05507	2.7
177.12720	15.1
179.10664	7.4
181.12305	2.5
187.11180	16.5
193.12245	5.0
195.06522	1.8
205.12157	21.3
205.13608	2.1
206.11833	2.6
223.06027	8.1
223.13274	51.0
223.16893	5.8
225.04286	15.9
227.02258	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	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03933	1.6
55.01858	2.0
55.05511	7.0
56.96560	1.4
57.07067	1.6
65.03927	1.0
67.05505	8.5
69.07065	7.9
69.28147	0.7
70.32417	3.0
71.04991	1.3
79.05486	5.4
81.03416	14.3
81.07058	7.2
83.04961	2.4
83.08620	3.5
85.02904	1.1
89.13914	0.6
91.05475	4.4
92.33941	0.8
93.07077	3.3
94.04181	6.1
95.04966	20.6
95.08598	4.4
103.05406	0.8
105.03409	0.8
105.06992	2.5
107.04952	7.8
107.08564	2.3
109.06519	2.5
109.10124	1.2
111.08068	1.1
114.51534	0.7
115.05457	0.7
117.07025	2.3
119.08567	1.6
121.06505	2.2
121.10087	1.7
123.08057	1.3
125.09623	0.7
131.08543	2.1
135.11681	1.1
139.07495	0.8
145.06479	1.2
149.02356	4.2
159.11665	1.4
163.03886	1.9
163.11185	1.5
165.07050	0.7
177.12645	0.8
180.09261	0.6
181.10071	0.7
193.10046	0.8
195.11720	0.7
205.12218	1.3
208.03659	0.8
208.12448	1.2
223.06088	3.9
223.13268	100.0
223.16884	3.3
224.13620	2.4
225.04288	2.4
227.02220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03948	8.0
54.28003	3.3
55.01862	8.9
55.05510	19.0
55.54279	3.2
56.96549	19.5
57.03443	4.5
57.07068	7.8
59.04981	4.5
65.03934	6.8
67.05504	27.2
69.03422	21.1
69.07062	14.5
69.61852	19.6
70.06583	3.4
71.04984	16.8
72.08145	4.3
79.05492	24.4
81.07059	25.6
83.04970	29.8
84.08140	5.8
85.02913	5.2
85.06535	7.9
86.09697	8.5
91.05476	59.4
93.07038	67.5
95.04964	40.6
95.08606	33.5
96.08084	3.8
97.02898	4.1
97.06537	16.5
98.21430	6.8
98.97602	26.1
99.04458	9.5
103.05482	10.9
105.07030	89.8
107.04955	19.8
107.08595	48.3
109.06519	20.4
109.10147	14.3
110.03507	3.8
111.04418	7.4
111.08095	11.0
115.05470	6.9
116.98605	26.0
117.07050	27.2
119.08578	100.0
120.08096	19.5
120.08827	4.0
121.06495	83.5
121.10140	48.7
123.04453	4.2
123.08057	34.6
125.05996	11.0
125.09663	8.7
128.06264	4.6
129.07004	12.7
130.07787	6.8
131.08566	32.5
133.06441	5.1
133.10152	21.2
134.99670	16.2
135.04388	5.0
135.08057	37.5
135.11693	40.3
137.06001	5.7
137.09622	20.3
139.07544	10.0
142.07748	7.1
143.08594	7.3
144.09329	16.1
145.06525	5.9
145.10127	50.1
146.99664	4.7
147.08037	28.6
147.11655	3.4
149.02284	17.7
149.06007	9.9
149.09624	37.7
149.13297	12.7
151.03918	3.5
152.07187	4.0
153.09088	12.4
154.07780	4.1
157.10112	13.3
158.99615	3.7
159.08040	6.1
159.11684	71.1
161.09663	11.8
161.13213	4.1
163.03925	11.6
163.07564	8.9
163.11171	67.1
164.07100	14.2
165.09111	31.3
167.07016	4.0
169.10135	3.8
169.26463	3.5
172.08868	10.4
175.11205	15.7
177.00697	20.3
177.12727	42.3
179.10635	8.6
181.12189	7.8
187.11159	42.5
205.08096	4.2
205.12190	48.4
205.13931	3.9
216.40404	3.8
219.01823	3.5
223.06065	11.5
223.09482	4.3
223.11211	7.0
223.13287	83.9
223.16942	14.9
225.04326	36.7
227.02257	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03944	5.7
55.01866	5.0
55.05511	20.1
56.96564	19.0
57.03414	4.3
59.04988	9.1
67.05504	18.7
69.03421	13.2
69.07053	12.2
69.63859	25.5
71.04977	12.3
79.05473	25.1
81.07058	22.0
83.04996	31.8
85.02908	10.6
85.06522	6.8
89.20699	3.4
91.05473	44.4
93.07043	40.8
95.04967	19.9
95.08599	33.3
97.02916	3.3
97.06551	4.0
98.97583	49.9
99.04457	6.9
99.08066	4.4
103.05470	4.0
105.07030	66.5
107.04951	12.0
107.08588	55.9
109.06528	21.3
109.10139	9.6
111.08047	4.2
116.98611	41.1
117.06995	23.7
119.08573	100.0
121.06493	16.2
121.10146	28.5
123.08054	24.2
125.09621	6.5
127.57423	3.4
129.06985	8.4
130.07808	6.3
131.08557	24.7
133.10132	30.5
134.99657	18.7
135.04453	4.7
135.08049	55.5
135.11687	50.4
137.06087	4.6
137.09607	20.9
142.06554	5.7
142.07741	4.6
143.08592	4.5
144.09352	12.9
145.06490	6.5
145.10110	32.2
147.08061	26.4
147.11636	3.9
149.02354	6.2
149.05960	10.5
149.13254	13.2
153.09093	6.0
158.99664	20.1
159.08025	8.1
159.11690	65.6
161.09666	6.4
162.10352	3.8
163.03909	6.2
163.07552	6.0
163.11186	46.0
165.09097	22.1
169.10126	4.8
172.08824	9.7
173.13264	3.5
175.11209	21.8
177.00705	30.8
177.09053	3.9
177.12735	29.8
187.11153	32.3
205.12222	31.1
210.13554	3.8
214.08545	10.0
215.09363	4.4
223.05968	5.7
223.13266	34.3
225.04202	16.8
233.10553	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	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.08086	2.8
53.03941	53.3
55.01846	12.5
55.05510	16.0
56.96559	5.7
57.07045	7.5
65.03929	6.3
67.05499	78.7
69.03406	5.7
69.07062	15.6
71.04971	9.3
71.30076	3.2
79.05489	49.0
81.03414	100.0
81.06589	5.1
81.07049	89.0
83.04983	14.3
83.08595	9.1
85.06494	4.0
91.05466	39.2
93.07036	56.8
95.04955	53.4
95.08591	44.8
97.02821	3.4
97.06513	13.7
103.05442	5.5
105.07038	25.5
106.04268	3.1
107.04952	29.1
107.08620	21.8
109.06487	8.8
109.10130	10.4
111.08051	7.5
115.05457	7.4
117.07014	19.6
119.08560	6.9
121.06538	19.2
121.10130	14.7
123.08045	24.6
129.07054	5.8
131.04974	6.9
131.08577	14.6
133.06479	5.1
133.10104	6.9
134.03627	3.1
135.08041	8.4
135.11697	18.4
141.06976	5.5
144.73119	3.3
145.06470	14.0
145.10107	10.6
149.02333	22.6
149.09575	3.1
149.13245	10.1
159.11693	14.6
162.03123	4.7
163.03842	6.9
163.07603	3.4
163.11180	8.7
165.06949	3.3
169.10107	5.8
173.88847	2.9
177.12740	8.8
181.12151	3.5
187.11171	12.0
190.02570	3.4
193.10130	3.4
195.11862	3.2
205.12228	9.7
208.03781	3.6
208.12337	3.7
223.05995	24.3
223.11182	9.4
223.13135	34.7
223.16769	16.7
225.04265	23.7
227.02174	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	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.92157	0.3
52.03187	0.2
53.03936	0.8
55.01864	1.6
55.05502	4.5
57.03424	0.6
57.07073	0.7
58.13395	0.2
59.35755	0.2
64.08943	0.3
65.03938	1.5
66.23032	0.3
67.05498	7.1
69.03433	0.6
69.07056	3.3
71.04995	1.7
71.58181	0.4
76.35040	0.2
79.05063	0.4
79.05489	5.7
79.89775	0.2
81.03410	3.4
81.07052	11.4
83.04972	1.9
83.08610	1.7
85.02888	3.2
85.06542	0.4
91.04910	0.3
91.05465	5.2
93.07036	5.1
94.04186	0.3
95.04958	100.0
95.08595	5.6
96.05273	1.6
96.74871	0.2
97.06535	1.1
99.04469	0.4
99.08115	0.3
103.05453	0.3
103.71290	0.3
105.07015	3.1
107.04938	1.6
107.08581	2.8
109.06509	3.3
109.10156	0.8
111.08072	0.6
115.05426	0.5
117.06995	2.3
119.08565	3.4
121.06504	3.5
121.10120	2.5
123.08074	3.0
128.06245	0.4
129.06999	0.8
130.07796	0.5
131.08571	1.1
133.10152	0.7
135.08090	1.3
135.11687	3.3
137.09541	0.3
141.07016	0.5
141.09044	0.3
143.08524	1.0
145.06535	0.4
145.10103	5.6
147.08037	3.5
149.02328	1.6
149.09633	0.5
151.66574	0.3
154.07767	0.5
159.08023	0.4
159.11653	1.4
161.09618	0.8
161.87823	0.3
162.03207	0.6
163.03906	0.6
163.07597	0.3
163.11162	12.8
164.11520	0.4
165.09138	0.3
167.08553	0.5
169.10153	0.4
177.12761	1.2
187.11142	1.7
205.12199	1.7
205.15834	0.4
218.76355	0.3
223.05904	1.5
223.11241	0.7
223.13210	3.4
223.16699	1.6
225.04285	1.2
227.02258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1076
Annotation	Gly-L-Phe
Peak:m/z	Relative Intensity
55.01865	3.3
55.05506	3.3
56.96552	3.4
57.07077	3.0
59.06158	1.5
65.03950	1.9
67.05491	3.7
68.05018	1.9
69.03413	1.7
69.07059	2.5
70.06583	4.3
71.04970	1.9
71.25864	3.9
72.08157	2.0
74.02442	8.0
79.05477	6.5
80.04996	2.3
81.03365	1.8
81.07043	3.7
83.04978	3.1
84.04483	1.8
84.08141	3.6
86.09702	3.4
88.03969	1.7
91.05474	16.2
93.07040	5.5
94.06575	3.5
95.04958	3.0
95.08611	4.0
103.05466	2.5
105.06994	10.3
106.06537	6.8
107.04947	4.7
107.08569	4.6
108.08103	6.4
109.06503	2.7
109.10168	2.6
111.08032	2.6
115.05448	7.1
117.05776	7.7
117.06998	2.7
118.06536	100.0
119.04923	5.6
119.07346	7.7
119.08604	2.9
120.08062	6.4
121.02827	2.3
121.06503	5.0
121.10083	3.4
122.06066	2.9
123.04418	2.6
124.99940	1.6
128.34541	1.4
130.06569	2.6
131.04901	1.8
131.05939	1.6
132.04424	1.9
132.08086	53.3
133.06505	3.6
133.07494	2.1
134.06006	11.3
135.05548	4.8
135.08115	3.4
135.09183	6.2
136.07568	9.3
137.09593	2.3
142.06529	4.5
146.05968	4.8
147.04346	2.6
147.07906	1.7
149.02328	11.6
149.05992	2.6
149.07263	2.6
149.08347	14.5
149.09511	3.0
150.09143	2.5
151.07472	1.6
159.09183	39.7
159.11671	3.8
160.03940	1.6
160.07581	38.4
161.06041	2.0
162.09172	2.8
163.03920	7.2
163.07492	1.8
163.08636	8.7
163.11145	1.7
164.07060	9.4
165.09111	2.9
177.06841	3.1
177.10239	80.6
177.12695	3.8
178.08621	25.3
181.06093	1.9
188.07074	3.6
195.13748	1.6
205.09698	3.6
205.12358	3.0
206.08096	17.9
221.86725	1.6
223.04204	4.9
223.06099	5.4
223.10820	31.1
223.13304	5.1
223.16855	10.3
224.09207	3.4
225.04289	33.2
226.04398	1.7
227.02206	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00291	1.6
53.03929	1.4
55.05506	13.5
57.07061	3.9
65.09711	1.0
67.05500	12.8
69.07059	13.1
70.77377	2.4
70.77735	3.0
71.04985	25.6
71.08620	1.1
79.05490	19.6
81.07051	64.7
83.08598	5.8
91.05469	15.2
93.07037	44.4
95.04944	2.1
95.08600	32.7
97.06522	4.3
97.10149	3.4
99.08088	2.5
105.07022	26.0
107.08587	64.5
109.06504	4.3
109.10152	21.6
111.08012	2.5
111.11707	1.9
113.09602	2.0
117.07007	1.9
119.08572	38.8
121.10137	12.2
123.08067	2.6
123.11699	13.0
125.09605	1.5
127.11163	4.8
131.08519	2.8
133.10123	23.4
135.11681	100.0
137.09575	6.4
137.13268	2.7
139.11139	1.5
145.10106	2.6
147.04388	3.6
147.11678	25.4
149.13220	8.6
151.11143	5.3
158.05984	1.4
161.13237	11.3
163.14816	4.9
165.12747	3.8
175.14824	4.2
177.16443	2.2
203.17952	33.7
221.15466	2.0
221.18987	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
53.00294	0.5
55.01870	6.8
55.05502	2.7
56.05033	1.6
56.96557	1.7
57.03437	1.1
59.49146	0.6
67.05499	6.1
68.05016	5.9
69.03422	1.7
69.05816	1.7
69.07063	21.5
69.93069	1.1
69.93481	2.0
70.06589	20.7
71.04987	16.3
72.08156	0.7
73.34856	0.5
79.05486	7.2
80.04993	2.2
81.03405	1.1
81.07052	5.9
82.02934	1.2
82.06583	1.8
83.03715	1.1
83.04983	2.3
83.08614	0.9
84.02118	3.5
84.04503	1.2
84.08154	0.8
86.06053	4.5
91.05473	2.2
92.05829	0.9
93.07021	2.8
94.06566	1.8
94.07288	0.6
95.04936	2.9
95.07343	2.3
95.08607	2.4
96.04496	5.7
96.08126	33.2
97.05276	3.3
97.06510	3.1
98.06033	1.7
98.09689	12.5
102.05627	0.6
105.07021	4.6
106.06557	9.4
106.07281	1.0
107.04942	2.0
107.08586	5.5
108.08115	8.8
108.08831	1.0
109.06535	2.0
109.10143	2.3
110.07134	0.5
110.10469	1.0
111.08067	1.0
112.11282	0.6
114.64642	0.6
117.06993	0.8
119.08570	1.9
120.08090	2.1
120.08869	1.1
121.06478	1.4
121.08868	0.9
121.10152	0.9
122.06020	9.9
122.09639	1.2
123.08050	0.6
124.07581	100.0
124.11163	1.3
125.08448	4.8
126.09144	1.7
131.04913	1.2
134.06018	1.3
134.09604	0.9
134.10507	0.7
135.08044	2.1
135.11702	1.5
136.07559	1.3
136.12036	1.4
137.09604	0.9
138.09146	0.7
147.04419	0.9
148.04771	1.6
148.07520	1.6
149.02310	1.1
150.12759	9.2
152.07042	3.2
152.10641	3.1
153.07846	13.1
154.08508	0.9
163.07472	1.0
166.08609	1.7
176.14253	4.9
178.16032	0.6
194.15358	9.6
195.07976	0.8
204.10100	0.7
204.13814	10.1
204.18185	0.9
207.13934	0.7
208.03883	1.0
222.11246	1.8
222.14865	49.3
223.06003	2.1
223.15054	1.4
223.17075	1.1
225.04326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03939	2.2
55.05508	20.4
56.60610	1.8
56.96526	2.2
57.07057	5.3
59.04996	1.9
65.13068	2.2
67.05504	16.6
69.07063	18.5
70.82983	6.0
71.04990	26.3
79.05486	23.0
81.07050	72.7
83.08615	10.2
85.06538	2.7
91.05468	15.7
93.06475	3.8
93.07037	50.8
95.04967	4.8
95.08599	41.6
97.06519	6.3
97.10161	4.8
99.08067	6.5
105.07018	27.9
107.08586	70.9
109.06502	3.4
109.10152	37.0
111.08062	6.2
113.09599	2.4
119.08578	43.8
121.10141	13.4
123.08038	4.3
123.11702	22.3
125.09635	3.5
127.11215	4.8
131.08533	2.2
133.10110	23.8
135.11688	100.0
136.12027	2.4
137.09592	5.6
137.13222	3.9
147.04414	5.2
147.11678	28.5
149.13252	11.6
151.11169	3.8
161.13248	9.1
163.14786	7.0
165.12718	5.2
175.14738	2.9
177.16287	2.3
203.17949	38.8
221.08154	3.2
221.15593	3.2
221.18994	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.97750	1.6
55.01865	2.2
55.05507	17.8
57.07065	5.5
62.70934	1.8
64.55582	1.7
64.85487	1.4
67.05508	13.7
67.09631	1.4
67.10236	1.5
69.07059	13.6
69.36259	3.7
69.36671	13.8
70.26906	1.5
71.04993	30.0
76.11137	1.6
78.01785	1.7
79.05492	18.3
81.07054	68.0
83.04977	3.9
83.08603	5.0
85.06544	2.2
91.05473	17.0
93.07039	47.6
93.07632	2.3
95.04972	1.7
95.08608	36.9
97.06535	2.4
97.10165	2.2
99.08096	4.8
103.05471	1.7
105.07027	30.9
107.08585	66.2
109.06525	3.2
109.10159	26.5
111.08072	5.0
114.03642	1.5
117.07009	2.7
117.78839	1.5
119.08582	45.8
121.06488	1.7
121.10133	15.9
123.08087	4.0
123.11687	18.1
125.09628	2.4
127.11193	5.4
133.10126	25.6
135.11687	100.0
136.12097	2.1
137.09621	6.1
137.13254	4.8
145.10109	2.3
147.04337	2.8
147.10638	2.9
147.11691	24.0
149.13293	10.1
151.03816	1.8
151.11194	4.4
161.13242	13.8
163.14828	5.8
165.12788	2.2
175.14760	3.1
177.16386	2.3
203.17934	31.7
206.16232	2.6
216.08432	1.7
221.08125	2.6
221.15637	3.1
221.19020	52.1
233.80821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
52.64874	1.0
53.03932	2.5
55.05510	11.2
56.96552	1.3
57.07059	3.4
58.92925	1.0
59.04976	1.5
67.05501	11.6
69.03421	1.4
69.07070	11.9
69.90704	1.0
70.77425	2.9
71.04598	1.2
71.04988	18.8
79.05486	17.1
81.07051	44.3
82.16548	0.9
83.04969	3.2
83.08605	6.7
85.06531	1.4
85.16995	1.1
91.05474	11.3
93.07038	39.6
94.07297	1.5
95.04948	1.6
95.08601	30.2
97.06522	1.8
97.10141	2.3
98.97557	5.3
99.08081	3.9
105.07018	24.3
107.08588	61.3
109.06519	2.1
109.10141	20.2
110.97912	1.0
111.08057	3.3
113.09636	1.9
116.98607	4.9
119.08574	35.1
121.10131	11.9
123.08063	3.1
123.11696	16.9
125.09618	2.5
127.11208	3.2
133.10115	23.6
134.99719	1.4
135.11688	100.0
137.09605	4.7
137.13223	4.5
145.10121	3.2
147.04398	3.8
147.11670	19.7
149.13287	7.6
151.11169	4.6
152.27158	1.0
152.61362	1.1
153.12761	1.2
160.12466	1.4
161.13252	14.6
163.14804	4.4
165.12744	3.4
173.16870	1.2
175.14772	2.9
177.00671	1.1
177.16394	2.9
193.19411	1.3
203.12489	1.3
203.17937	32.0
221.15446	2.4
221.18990	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.96312	1.8
55.05508	13.7
56.96558	2.1
57.03440	3.0
57.07065	8.3
67.05505	14.5
67.99913	1.9
69.03421	2.3
69.07063	16.5
71.04987	17.7
71.57246	3.1
79.05496	19.1
81.07050	56.9
83.05000	3.0
83.08607	8.1
85.06528	3.2
91.05462	15.7
93.07030	45.4
95.04938	5.3
95.08595	38.6
95.09170	2.8
97.06534	4.5
97.10151	4.8
99.08061	3.9
105.07023	39.0
105.07684	2.8
107.04954	3.0
107.08595	66.4
109.06544	9.1
109.10137	26.4
111.08078	7.9
111.11668	2.2
111.52020	2.0
115.05466	3.4
117.06915	1.8
119.08576	46.9
121.06516	5.6
121.10155	15.3
122.53088	1.9
123.08058	5.8
123.11688	17.1
125.09626	4.9
127.11160	4.3
128.06219	2.3
130.06558	2.3
131.04929	3.1
131.08556	4.0
133.06534	3.4
133.10129	29.4
135.08086	2.3
135.11682	100.0
136.12047	2.1
137.05986	8.8
137.09615	8.0
137.13220	3.6
143.08633	2.1
145.10120	4.7
147.04420	4.9
147.08029	2.3
147.11688	25.6
149.13246	7.3
151.03888	5.2
151.11206	4.9
159.11700	3.1
161.05965	6.0
161.13240	18.0
163.14819	6.7
165.09105	5.0
165.12766	4.5
175.07559	5.3
175.11162	3.7
175.14766	4.8
177.16389	3.1
178.15822	1.9
200.84286	1.8
203.10597	3.6
203.14275	4.3
203.17938	32.2
206.16281	3.6
221.08099	3.3
221.11746	4.4
221.15385	8.1
221.17307	6.1
221.19057	41.4
222.18558	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	3.8
54.89450	1.6
54.92757	1.6
55.01862	3.2
55.05505	24.0
56.35201	1.9
56.96572	9.3
57.03424	2.3
57.07061	7.5
67.05173	3.2
67.05502	36.7
69.03416	3.6
69.07066	78.0
71.04972	3.1
71.08620	2.2
71.57114	3.7
76.07880	1.7
79.05490	24.9
81.07056	100.0
83.04972	4.5
83.08621	12.0
85.06521	1.9
91.05464	23.2
93.07038	38.9
93.07619	2.4
95.04956	8.2
95.08604	88.8
97.10145	3.9
105.07027	29.6
107.04962	6.0
107.08585	33.3
109.06517	7.1
109.10159	42.9
111.08051	10.8
111.11719	65.7
117.07018	3.3
119.04977	2.9
119.08578	24.3
121.06499	7.1
121.10144	18.6
123.08099	3.2
123.11725	18.4
125.09624	5.3
129.06966	3.1
131.08565	1.8
133.06458	3.3
133.10124	26.5
135.08058	3.9
135.11711	8.8
137.06015	2.1
137.09593	5.3
137.13248	5.7
139.11171	3.6
142.07777	2.3
143.08589	1.9
145.10130	3.7
147.04376	5.5
147.08043	2.5
147.11699	28.8
149.01241	2.5
149.09578	1.8
151.11203	6.4
153.09117	2.4
157.10100	2.6
161.09616	1.9
161.13243	14.4
163.14819	5.1
165.09131	2.2
165.12752	3.1
175.11172	4.6
175.14827	17.4
175.35561	2.4
177.16464	4.0
178.07741	3.1
178.13153	2.5
186.56198	2.0
193.15891	3.0
203.10643	2.3
203.14294	3.3
203.17934	39.3
203.19736	2.6
206.10941	3.2
206.16237	18.7
221.04512	2.6
221.08018	4.4
221.11649	6.1
221.15393	18.4
221.19025	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03939	6.1
55.01856	2.9
55.05506	13.9
57.03433	4.0
57.07070	4.1
57.27588	1.5
58.51320	1.2
65.03947	1.6
67.05499	21.1
68.77097	1.2
69.07062	17.1
71.04987	6.5
71.57965	2.0
73.06564	2.5
76.49497	1.4
79.05492	72.9
81.03424	2.4
81.07055	49.2
82.07433	1.5
83.04987	3.4
83.08620	5.6
85.02908	1.7
85.06536	5.1
86.61153	1.3
91.05478	50.0
93.07040	100.0
94.07397	1.4
95.04969	14.5
95.08612	33.7
97.06530	3.5
97.10191	1.4
99.08097	1.5
101.06000	1.4
105.04507	3.1
105.06311	1.9
105.07024	51.3
107.08594	89.0
109.06476	9.0
109.10166	11.2
111.08078	5.5
115.56075	1.4
117.07019	7.3
119.06168	1.3
119.08578	62.3
121.06517	5.2
121.10142	27.3
123.08068	7.7
123.11733	4.5
127.07533	1.8
129.06998	4.0
131.08546	7.7
133.10136	31.8
135.08058	2.5
135.11714	7.9
137.09641	3.7
143.08569	9.8
145.10120	4.9
147.08119	2.1
147.11678	19.0
149.13246	5.8
151.11134	2.1
157.10146	4.0
159.11668	12.0
161.09608	7.3
161.13254	39.7
163.14845	3.6
165.09155	2.6
165.12808	2.1
175.08855	1.9
175.11195	6.9
175.14830	27.0
177.16383	2.1
179.10698	2.8
185.13258	15.9
193.15802	1.7
194.17731	1.5
203.03604	1.3
203.14320	10.0
203.17937	28.5
206.16214	3.8
221.11688	1.6
221.15361	32.1
221.18991	18.0
232.10419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03930	5.5
55.01853	6.5
55.05510	23.8
57.07062	9.7
67.05501	38.3
69.03401	3.9
69.07063	22.9
70.25777	12.3
70.92043	2.7
71.04974	9.5
72.71642	2.7
79.05061	4.3
79.05486	57.9
79.93488	2.6
81.03395	5.5
81.07053	57.3
83.04970	12.8
83.08601	11.0
85.02900	6.3
85.06519	5.2
91.05470	50.6
91.09101	2.7
93.07040	71.0
95.04968	74.5
95.08598	37.6
97.06506	11.3
97.10146	5.9
105.07025	59.9
105.36612	3.3
107.04971	15.9
107.08588	70.7
108.05755	4.3
109.06506	17.8
109.10171	16.2
111.04443	26.9
111.08056	7.6
117.07008	6.8
119.07806	4.9
119.08580	59.1
121.06506	19.4
121.10116	20.9
123.04402	4.9
123.08056	8.0
123.11725	4.9
129.07007	6.3
131.08546	7.8
133.06450	10.0
133.10112	31.0
135.08047	9.8
135.11687	12.7
137.05910	6.4
137.09564	7.0
143.08557	12.7
145.10095	12.2
147.04407	3.7
147.07957	6.0
147.11713	22.3
149.13190	4.1
151.07484	7.8
151.11218	3.2
151.58339	2.9
157.10083	4.9
159.11690	12.1
161.05972	3.9
161.09619	8.6
161.13269	31.6
163.11174	11.8
165.09079	7.0
175.07445	3.6
175.11140	6.7
175.14819	48.2
177.12672	2.9
177.16385	3.2
179.07060	3.5
179.14301	12.3
185.13255	20.3
203.06934	3.6
203.14294	19.0
203.17986	15.5
206.10812	4.3
206.16177	16.1
221.04420	3.8
221.11693	6.3
221.13452	4.3
221.15344	100.0
221.18686	9.8
222.15608	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
57.07062	0.4
67.05480	0.7
70.06587	0.6
71.18548	1.0
77.03916	1.0
81.07040	0.6
82.02928	1.8
85.59803	0.5
88.91605	0.5
91.05473	1.1
94.06561	4.0
95.04980	0.5
95.08617	0.6
103.05471	0.6
104.04942	0.8
105.07016	1.1
106.06551	1.0
111.08070	1.2
115.05466	2.4
117.05704	0.7
118.06521	0.8
120.08070	1.4
130.06522	53.9
131.06895	1.5
132.04454	37.7
132.08102	0.8
133.04813	0.8
133.10144	0.7
134.06009	5.8
135.08038	0.7
146.05969	1.7
147.06337	2.0
147.09155	1.3
148.07594	3.1
149.04065	0.5
156.06816	1.2
157.07603	23.0
158.06010	72.7
159.06517	1.5
160.07602	2.6
162.05495	9.1
173.83951	0.5
175.08664	100.0
176.07042	2.2
176.08990	1.5
186.05490	4.1
193.15860	0.5
204.06569	14.8
221.09224	16.7
221.11368	0.9
221.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03936	1.0
54.83629	0.8
55.01854	0.9
55.05513	5.0
55.05729	0.9
59.03874	0.8
59.04986	0.9
65.03947	0.9
67.05486	4.0
69.03077	1.4
69.03427	18.1
69.07051	2.6
70.44267	1.8
70.44672	3.0
76.28862	0.8
77.03906	0.9
79.05500	5.2
81.07051	6.5
83.04983	1.0
85.02908	1.4
87.04466	1.5
91.05472	13.8
93.07029	6.9
95.04950	3.0
95.08607	10.5
103.05431	1.2
105.07024	71.2
106.07346	3.5
107.08597	17.7
109.06496	3.2
109.10155	2.0
111.04494	1.0
113.02343	1.5
115.05434	1.5
117.07021	4.8
119.04953	2.2
119.08575	28.3
120.08085	1.0
121.06496	45.0
123.08030	1.4
128.06184	1.3
129.06995	3.5
130.06508	2.5
130.07561	0.8
131.04906	1.0
131.06903	1.1
131.08580	4.9
133.06456	3.6
133.10123	59.8
135.08044	33.0
137.06001	1.5
138.40492	1.0
141.06985	1.5
142.07770	16.7
143.08571	1.7
144.09299	1.2
145.06448	1.4
145.10100	3.4
146.07219	1.5
147.04396	1.0
147.08028	2.8
147.11679	77.3
148.12035	1.6
151.03897	3.6
151.07564	1.4
151.11147	2.2
153.05362	1.2
157.10120	38.9
158.06029	1.7
159.11685	2.8
160.08810	3.2
161.05998	1.4
161.09593	6.5
161.13268	1.6
163.07535	2.5
165.09074	1.2
175.11174	100.0
176.11580	2.1
177.12733	8.0
179.07042	1.2
179.10632	1.5
187.12422	1.4
193.12234	12.2
203.06970	1.1
203.10690	12.1
206.16216	2.1
216.74303	1.0
221.11725	57.0
221.15329	2.7
222.11920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.04593	0.6
52.42797	0.7
55.05500	0.6
56.24449	0.6
56.96566	0.8
67.05510	0.9
69.90012	4.2
74.02400	0.7
74.06075	0.8
81.07049	0.8
82.02934	2.4
82.03870	0.6
90.05547	1.3
94.06554	4.1
95.04913	0.8
95.08642	0.7
98.97578	0.8
103.05459	1.3
104.04919	0.8
105.06954	1.0
107.00079	0.6
111.08020	1.1
115.05463	0.8
120.08064	1.2
121.06506	0.8
130.06511	85.4
131.04927	0.9
131.06900	1.4
132.04436	55.1
133.10132	0.9
136.07559	0.8
147.09145	1.3
148.07518	2.8
157.07599	34.9
158.05998	94.6
159.06378	2.4
159.09065	0.7
175.08652	100.0
176.07057	2.9
176.08954	2.1
185.07103	1.1
186.05487	2.4
203.08124	4.8
204.06563	4.2
204.18784	0.6
206.16219	0.8
221.04408	0.8
221.09203	13.9
221.15233	1.0
221.18295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
70.74651	0.6
77.64061	0.1
106.06607	0.2
118.06535	12.1
119.07327	0.4
120.08089	0.2
132.08083	3.4
133.08871	1.3
133.09869	0.2
134.09610	0.8
134.10532	0.2
144.08102	0.3
146.09634	3.5
147.10428	0.3
148.11150	0.2
160.11208	0.6
161.11972	0.2
162.09134	7.0
163.09715	0.2
176.10785	4.0
176.14333	30.4
177.11501	1.4
177.12813	0.2
177.14650	0.8
190.12239	3.3
191.12964	0.5
202.15860	0.9
204.13829	0.3
205.15842	0.5
218.15160	0.2
220.16942	100.0
221.17265	2.2
228.84781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
54.46123	0.3
55.05493	0.3
56.05023	0.9
56.96557	2.4
57.03417	0.4
61.02922	0.5
67.05489	0.5
70.06585	0.4
70.71682	0.7
70.72044	0.8
72.08173	0.4
73.02898	0.5
74.02426	1.0
74.06000	0.4
74.82523	0.3
79.05472	0.4
81.07039	0.8
82.02940	2.2
90.05541	0.4
91.05441	0.4
91.05924	0.4
94.06573	4.6
98.97566	0.6
103.05447	0.7
104.04982	1.2
109.10188	0.5
111.08043	0.5
113.34239	0.3
115.05445	1.4
116.98610	1.1
119.08613	0.8
120.08072	1.0
121.06496	0.6
126.49986	0.4
130.06520	75.1
131.06859	1.1
132.04445	49.9
133.03227	0.5
133.04823	1.0
133.10123	0.6
134.99591	0.5
136.07549	0.7
137.09552	0.3
140.04849	0.4
147.04283	0.4
147.09195	0.6
148.07568	4.0
150.01680	0.4
150.05852	1.0
150.09128	0.4
153.09088	0.4
156.06821	0.7
157.07605	28.4
158.06004	86.1
159.06339	1.5
175.08661	100.0
176.07248	1.9
176.08969	2.4
179.44281	0.4
185.07184	0.5
186.05478	2.4
203.08089	3.4
204.06540	4.5
221.09224	14.6
222.09311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
56.05027	1.1
56.96575	0.6
57.03435	0.6
57.07079	2.5
59.05000	0.8
60.04523	6.4
61.04851	2.4
67.05492	1.1
68.05016	0.5
69.03433	3.6
69.07058	1.0
70.02945	1.0
70.06590	3.7
70.54204	0.4
71.37856	1.3
72.04506	2.2
72.08155	14.7
72.93684	0.4
74.01760	0.5
74.02431	1.3
79.05477	2.1
81.07056	4.5
81.89513	0.5
85.02256	0.5
85.06532	1.6
85.76612	0.6
86.05573	0.9
86.06068	10.7
86.09705	3.7
87.04467	26.2
87.10041	2.9
90.05551	13.8
91.05446	0.6
95.04960	1.3
96.04499	0.5
98.02413	1.2
98.06053	37.6
103.07567	1.4
104.07124	0.8
105.07039	0.6
107.08601	0.8
111.08077	0.6
112.11230	0.6
116.03426	2.3
119.08604	0.6
120.08121	0.6
120.08932	0.5
121.06515	0.9
121.10196	0.5
124.07585	2.9
130.06520	5.6
131.04918	1.6
132.04462	3.7
132.10220	1.6
133.10527	2.1
134.10532	0.5
140.10703	24.3
141.10999	0.8
142.08609	1.1
145.10107	1.4
146.06003	1.3
148.07584	2.5
157.07646	1.6
158.06013	7.3
158.11765	100.0
159.12097	1.4
161.09531	0.6
174.13156	1.2
175.08684	10.0
177.12755	1.6
184.09702	2.7
190.08641	0.8
202.10764	3.1
202.14383	7.5
204.14580	3.4
205.15857	11.8
220.09833	0.9
220.11844	2.4
220.15457	7.4
220.17833	9.7
221.09238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01880	0.9
55.05497	1.2
57.07072	7.7
59.04990	4.9
60.04526	0.6
67.05503	6.5
69.03404	0.7
69.07070	5.3
70.02951	8.2
70.33578	2.5
72.04512	17.1
72.08139	1.7
73.02913	3.7
74.02435	2.2
79.05474	1.0
81.07046	1.4
83.04984	1.7
83.64603	0.7
85.06537	10.8
86.06069	1.4
86.09711	2.4
87.04469	3.7
87.08112	2.4
90.05551	100.0
94.03659	0.6
95.04961	8.1
96.08105	2.3
96.80685	0.8
98.02413	15.8
98.03062	0.8
98.06046	5.1
98.20855	0.7
100.03983	2.7
103.07585	6.3
113.06007	2.7
116.03448	16.3
124.07588	17.3
130.08682	0.9
131.07034	1.3
140.10699	3.6
142.08626	9.2
145.10158	1.0
152.45396	0.6
156.10149	1.4
158.11755	16.7
159.60023	0.6
160.09706	1.8
166.08609	2.0
169.75191	0.7
174.11287	2.2
177.12764	1.0
184.09680	17.6
192.06615	0.7
202.10742	24.4
202.14423	1.6
204.14661	2.2
205.15887	6.8
220.11790	17.0
220.13742	1.1
220.15637	1.0
220.17731	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	220.133
Annotation	Darlingine
Peak:m/z	Relative Intensity
52.24780	0.4
55.01860	0.6
55.05494	0.8
56.05023	0.4
56.96547	1.0
57.03434	0.7
57.07063	3.2
57.12209	0.4
67.05491	0.8
69.03415	1.0
69.07062	0.8
69.43095	3.4
70.06582	0.6
79.05482	1.3
81.03392	0.5
81.07046	1.9
82.06566	0.5
83.06119	0.5
85.01129	0.5
85.02871	0.5
86.09716	0.5
87.04462	63.4
91.05470	2.1
92.04977	0.5
92.05814	0.6
93.07035	1.0
95.04958	1.2
95.08595	0.5
98.97572	1.6
103.05436	0.5
105.03386	3.5
105.07043	2.5
106.06602	0.5
106.07302	0.6
107.04897	0.5
107.08559	1.1
110.07178	1.0
114.74982	0.4
116.98624	1.8
117.07011	1.7
118.06527	9.1
118.07328	1.0
119.07326	8.1
119.08584	1.9
120.08922	0.9
120.32214	0.5
121.06516	0.8
121.10114	1.2
122.10472	0.7
123.08109	0.8
128.89998	0.4
128.95038	0.4
132.04407	0.6
132.08070	0.5
133.10114	1.0
134.09639	100.0
134.99660	1.6
135.08023	0.6
135.10007	1.3
136.06169	9.1
145.06442	0.9
145.10104	2.6
146.06856	1.5
146.10497	0.5
146.99651	0.5
147.04381	0.7
147.08037	0.6
148.04237	1.2
149.09590	1.2
158.05962	0.7
161.05934	0.6
161.09525	0.7
162.06651	0.5
162.13623	0.9
171.06375	0.4
173.05934	0.4
174.06316	1.7
174.09056	0.5
175.07365	0.5
175.11183	0.5
176.10658	0.5
177.12697	3.9
178.10973	0.6
189.12779	0.5
192.10194	0.4
203.10706	0.4
203.14308	0.5
204.14632	6.2
205.15865	24.7
220.13364	56.2
220.17769	18.2
221.11725	0.5
221.13577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.2106
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
53.03929	1.3
55.01862	1.8
55.05264	0.9
55.05507	12.1
56.13744	0.6
56.96557	1.7
57.07072	4.0
67.05502	24.9
69.03425	1.1
69.07067	18.2
70.08636	0.6
71.08611	1.6
71.57815	1.1
79.05066	1.2
79.05494	18.4
81.03396	1.2
81.07051	45.9
83.04968	1.5
83.08607	6.8
85.02887	0.8
85.10167	0.8
91.05479	9.3
93.07037	36.7
93.38888	0.6
95.04964	2.7
95.08601	38.3
96.08972	0.6
97.06500	0.7
97.09615	0.5
97.10135	3.5
103.05470	1.3
105.07024	10.6
107.04956	1.1
107.08588	38.1
109.06493	1.5
109.10148	28.1
111.04434	0.7
111.11705	0.9
115.05396	0.7
117.07008	2.5
119.07793	0.9
119.08570	9.8
119.84824	0.7
121.06539	1.3
121.10135	30.0
123.08040	2.3
123.11694	15.6
128.06236	0.7
129.06973	2.4
130.07716	0.8
131.08575	5.6
133.06509	1.1
133.10120	9.5
135.08020	1.9
135.10684	1.3
135.11684	24.5
137.13237	4.6
141.06976	1.3
143.08505	1.8
145.06432	1.5
145.10100	5.8
146.10869	0.8
147.08000	1.5
147.11667	2.9
149.09587	1.2
149.13245	20.2
157.06454	0.7
157.10124	1.4
158.07222	1.1
158.10849	1.0
159.08044	1.6
159.11705	4.0
160.12505	0.8
161.09645	2.7
161.13257	5.1
163.11148	1.4
163.14822	16.1
170.10887	1.8
173.05865	0.8
173.09590	2.0
173.13300	3.4
174.06729	1.9
175.14778	3.5
177.12665	1.4
177.16368	2.1
185.13225	1.2
187.11172	2.0
188.11923	2.1
189.09071	2.4
189.12720	0.7
190.95306	1.3
201.09015	0.9
201.12692	0.9
201.16382	2.2
203.14301	36.2
204.14633	0.9
204.47018	0.6
205.15877	3.4
219.02917	0.8
219.06415	1.0
219.10208	2.9
219.13849	3.3
219.17430	100.0
219.20808	18.9
220.17912	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	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05513	0.6
57.07059	0.5
57.74296	0.4
58.23669	0.4
60.04526	100.0
65.94363	0.5
67.16898	0.4
69.03412	0.5
69.22791	0.4
69.61691	3.1
70.02975	1.2
70.06599	0.8
72.08157	1.2
77.97330	0.4
79.05496	0.5
81.07059	0.9
85.02908	0.5
86.06120	0.5
86.09707	76.7
87.04478	2.0
87.05589	3.2
90.05553	0.8
91.05508	0.6
92.86220	0.5
93.07032	0.7
98.06064	2.1
105.07029	0.9
107.08605	1.1
117.06965	0.5
119.08591	2.0
121.10167	1.6
124.07576	0.6
126.09160	0.7
128.10736	2.7
132.10208	40.8
133.10149	1.6
137.40317	0.5
140.10704	1.9
145.06464	0.6
145.10056	0.7
148.12288	0.5
158.11784	5.1
161.13249	1.1
172.09705	0.8
173.09601	0.6
173.12866	17.5
187.11127	0.5
188.81245	0.5
201.12346	2.9
203.14314	8.6
206.83916	0.5
219.13432	4.0
219.17441	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03435	2.3
65.84167	1.0
67.05479	1.5
69.88033	4.5
69.88450	1.7
76.24805	1.0
77.67421	1.1
79.05462	1.5
85.04747	1.1
85.63741	1.1
88.30788	1.0
91.05478	14.8
96.40421	1.1
98.20838	1.8
103.05446	3.7
105.07018	3.1
114.62770	1.0
115.05439	14.3
116.06209	3.6
117.07011	4.2
118.06493	3.0
119.08598	2.2
121.10130	1.9
124.72283	1.2
128.06219	14.5
129.07005	52.1
130.07744	3.8
131.04922	9.2
131.08565	41.1
133.06461	1.1
133.10075	2.7
137.06003	5.6
141.06982	48.6
143.04932	3.3
143.08556	3.2
144.05731	7.1
145.06458	10.9
145.10130	1.7
146.07274	7.4
148.05151	1.6
151.03943	2.6
153.06982	1.3
155.05980	1.8
157.06485	23.1
158.07280	26.4
159.04413	5.9
159.08060	31.1
160.05202	7.1
160.08809	1.6
161.05981	1.6
161.09607	4.7
162.06825	1.5
162.09122	1.4
163.07480	1.8
168.05688	2.1
169.06459	18.8
170.07268	9.7
173.05997	6.4
173.09587	1.9
174.06761	92.2
175.07570	15.7
176.14302	5.6
185.06026	1.3
186.06747	21.2
187.07462	2.0
188.08292	6.9
189.09097	100.0
190.09523	2.6
191.07024	1.5
191.10672	7.0
201.09103	41.3
203.14301	3.6
219.10155	70.4
219.17433	12.0
220.10495	3.3
220.16980	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.29901	0.7
55.05493	1.1
57.03410	1.0
67.05499	1.8
69.07034	0.7
69.23122	6.4
69.23542	2.6
78.15000	0.7
79.05466	1.5
81.07039	1.2
85.02881	1.0
91.04964	1.1
91.05479	11.8
95.04968	0.9
102.04618	0.8
103.05447	4.5
105.07002	2.9
107.08591	1.4
112.04978	0.9
115.05450	14.3
116.06203	5.1
117.07010	4.3
118.06521	2.1
119.08580	2.1
121.10143	1.4
123.08099	0.9
128.06224	13.9
129.06999	45.8
130.07741	2.7
131.04929	11.5
131.08560	41.3
132.05649	1.4
132.07996	1.2
132.08882	1.1
133.06456	0.9
133.10104	3.4
137.05943	4.1
141.06984	38.7
143.04927	1.9
143.08557	2.8
144.05681	6.5
145.06483	9.2
145.10088	2.1
146.07269	5.4
148.05180	1.8
151.03922	0.8
153.06978	1.3
155.06038	1.4
156.05661	0.9
157.06471	24.3
158.07280	24.0
159.04442	5.6
159.08047	29.0
159.11636	1.2
160.05182	6.7
160.08682	1.0
161.09613	3.9
161.13213	0.9
162.09137	1.4
163.07532	1.8
169.06462	15.1
169.07590	0.9
170.07253	8.4
171.04456	1.2
171.08011	1.4
173.05971	5.2
173.09631	1.8
174.06761	86.0
175.07539	12.8
176.08276	1.2
176.10625	1.0
176.14339	4.8
185.05969	1.2
186.06764	20.6
187.07423	2.2
188.08313	4.0
189.09099	100.0
190.09462	2.2
190.12373	0.9
191.07001	1.3
191.10664	6.5
191.76207	0.7
191.83966	0.7
201.09097	43.0
203.14285	6.5
219.10146	75.2
219.17404	17.5
220.10475	2.5
220.16939	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03419	1.7
67.05464	1.8
70.70838	5.2
91.05477	14.8
96.05114	1.3
103.05446	4.7
104.03803	1.3
105.07056	1.9
111.83253	1.4
115.05429	17.4
116.06232	3.4
117.06965	3.8
128.06212	13.7
129.06996	51.0
130.07788	3.1
131.04912	11.7
131.08553	43.1
137.05952	3.5
141.06973	45.9
142.27472	1.2
143.04866	2.6
143.08569	2.3
144.05716	10.6
145.06467	12.8
146.07260	7.1
148.05168	1.7
157.06483	26.3
158.07257	27.3
159.04381	5.2
159.08038	28.0
160.05154	7.7
161.09596	4.0
163.07562	1.7
169.06454	18.7
169.07660	2.1
170.07271	10.5
171.04356	1.7
173.05963	6.9
174.06758	86.9
175.07529	12.8
185.05927	1.9
185.57477	1.5
186.06752	20.3
187.07512	1.9
188.08321	4.3
189.09090	100.0
190.09465	2.7
191.06973	1.9
191.10681	7.1
201.09105	44.6
203.14226	3.8
219.10147	83.9
219.17392	8.8
220.10475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.49448	1.0
55.01846	1.6
55.05498	3.1
56.08108	1.2
57.03425	2.0
67.05485	4.7
69.03434	1.6
69.07050	3.2
69.86227	3.2
69.86639	3.3
71.05001	2.0
74.47764	1.2
79.05474	4.8
80.91912	0.9
81.07047	6.1
85.02888	1.1
85.06518	1.4
91.05481	17.8
93.07040	5.1
95.04982	1.2
95.08598	4.0
95.59670	1.1
98.20774	1.7
103.05450	3.5
105.07032	11.7
107.08586	5.6
109.06489	1.2
109.10147	2.5
115.05441	12.7
116.06225	4.5
117.07008	5.5
119.08585	12.1
121.06551	1.2
121.10151	7.3
123.08058	3.3
123.11693	1.1
128.06213	13.8
129.07001	45.6
130.07762	3.8
131.04947	12.5
131.08565	42.0
133.06474	2.8
133.10135	11.3
135.08058	2.8
135.11659	3.2
137.05949	4.7
137.09673	1.1
141.06989	34.9
143.04881	1.8
143.08563	3.0
144.05702	4.8
145.06480	11.1
145.10092	5.3
146.07281	5.1
147.04449	1.6
147.07982	1.9
147.11626	2.8
148.05185	1.6
151.03867	4.2
157.06490	21.1
157.10141	1.4
158.07271	21.9
159.04385	4.9
159.08049	24.1
159.11697	6.5
160.05199	6.3
161.05984	1.9
161.09599	4.6
161.13234	4.6
163.07565	2.8
168.05666	1.3
169.06453	13.4
169.07639	1.4
170.07275	7.9
173.05968	7.0
173.09563	2.6
173.13197	2.2
174.06764	72.8
175.07535	10.7
175.14813	2.2
177.09142	1.1
185.05936	1.1
186.06766	18.0
187.07552	2.6
187.11082	1.3
188.08284	4.7
189.09103	100.0
190.09486	3.0
191.08730	1.0
191.10606	7.4
201.05423	1.9
201.09097	41.9
201.16360	2.7
203.14330	21.2
219.10152	73.6
219.17427	70.6
220.10550	2.5
220.17802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64288	0.9
53.22902	1.0
55.01863	4.9
55.05503	2.9
56.96549	1.4
59.05011	1.1
60.04508	1.8
61.02926	19.5
65.15199	1.0
67.05485	2.8
69.07048	1.9
71.00964	1.7
71.01349	30.3
71.20480	2.8
71.43083	1.1
75.04477	48.3
79.05492	2.2
81.07052	2.9
83.04980	1.2
85.63039	1.0
87.04469	18.3
89.02401	6.2
91.05472	3.6
93.07031	4.2
94.75581	1.0
98.97568	2.2
103.03941	54.9
103.05419	1.7
104.12844	0.9
105.07014	6.5
107.08569	3.5
109.06522	1.1
113.02383	1.1
116.98595	1.4
117.07043	2.5
117.81520	1.0
119.04924	1.6
119.08571	7.8
121.06490	1.1
121.10134	8.4
123.08070	2.6
131.03391	9.7
131.04871	1.9
131.08464	1.5
132.10201	1.0
133.10086	7.5
135.11661	3.2
143.08521	1.7
145.06471	7.0
145.10104	2.9
147.04401	1.6
147.11674	2.3
158.11748	1.1
159.02882	74.0
160.03201	1.5
161.09612	1.7
161.13251	4.8
170.11063	1.1
173.05969	7.2
173.09552	1.4
175.14793	2.8
185.13196	1.6
187.02354	8.0
187.11212	2.2
188.11914	1.2
192.71451	1.2
203.14305	40.2
219.04802	5.1
219.17427	100.0
233.59245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
56.96577	4.3
69.38406	16.9
69.38842	14.9
70.06585	4.3
72.08149	51.0
84.08140	47.9
91.00264	3.3
93.07053	3.1
94.06562	43.5
97.78960	3.3
98.64977	4.0
98.97552	9.0
105.07033	4.6
116.98621	11.9
119.08556	10.4
121.10132	5.9
128.07011	5.9
130.08640	12.3
133.10085	8.2
134.99643	7.6
135.96393	3.0
145.10104	4.5
196.04498	3.8
202.10764	6.8
203.14293	40.5
219.13490	5.6
219.17406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.6
55.05504	2.0
60.04518	2.1
60.66660	1.1
61.02647	1.5
61.02924	23.3
63.34771	0.9
63.81937	1.0
67.05481	3.0
69.07045	4.6
70.48588	0.8
71.01350	39.7
71.13454	2.3
75.04475	57.4
79.05481	3.2
80.43956	1.1
81.07036	2.5
84.99252	2.2
86.09679	1.6
87.04463	24.3
89.02392	8.4
90.05540	1.2
91.05460	3.7
93.07030	4.6
95.04947	2.1
95.08563	2.0
98.97552	1.5
101.06004	1.3
103.03935	73.8
105.06999	4.1
107.08580	3.3
109.06496	1.5
115.05468	1.8
116.98634	1.8
117.06996	2.9
119.04974	1.1
119.08573	9.7
121.10133	8.2
123.08059	1.1
131.03406	14.1
131.04959	1.4
131.08502	1.2
133.10141	6.3
135.11678	1.9
143.08556	1.6
145.06468	7.5
145.10118	2.4
146.05960	1.2
147.04393	2.0
147.08054	1.4
147.11658	1.4
159.02875	88.6
159.08000	1.2
161.04449	1.5
161.09579	2.6
161.13249	4.3
163.11168	1.0
170.10950	2.0
173.05983	7.2
173.07318	1.6
173.09338	1.0
175.14709	2.7
175.49492	1.1
176.08862	1.1
177.00706	1.1
187.02370	8.6
187.11246	1.4
188.11946	2.9
203.14313	42.0
219.03114	1.3
219.04855	5.6
219.06717	1.1
219.17424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01863	4.8
55.05505	22.7
56.05027	7.4
56.05848	12.7
56.96564	46.9
57.03432	10.5
58.99599	2.9
59.04990	2.5
60.04513	8.4
60.08159	9.6
61.02913	10.4
67.05495	5.3
68.05024	5.0
68.99739	2.3
69.03426	14.8
69.07082	12.1
70.02957	4.3
70.06591	100.0
70.20086	10.1
70.20419	2.9
71.01346	12.9
71.04993	10.3
71.95251	4.8
72.04514	49.0
72.08157	52.3
73.02915	5.9
73.06550	2.9
73.08481	20.3
74.06078	6.6
75.04480	5.2
79.05484	3.1
80.05020	3.0
80.43245	2.6
81.03417	4.4
82.02959	2.7
82.06570	6.0
83.04966	17.7
84.04514	11.9
84.05311	10.9
84.08138	25.8
84.96016	3.1
85.02902	96.4
85.06525	2.6
86.02427	2.5
86.06068	69.1
86.09704	9.1
87.04469	68.8
87.42867	2.4
88.04018	4.8
88.07647	18.7
88.99124	2.7
91.05476	5.3
94.02927	19.9
95.01328	3.9
95.08595	3.0
96.04485	5.5
96.08138	3.1
97.02885	11.0
97.06530	20.0
98.06049	10.5
98.97577	12.9
99.04427	6.8
100.03986	15.3
100.07599	11.6
101.06016	4.4
101.07944	5.2
102.05547	6.3
103.03955	5.2
104.07057	3.1
107.08594	2.7
109.02888	5.5
110.06062	5.2
111.04436	11.2
112.04041	4.7
112.04774	16.3
112.07613	3.7
113.02369	8.1
113.06022	3.4
114.01884	4.2
114.05526	9.1
114.06315	5.4
114.09173	7.5
116.98607	16.1
117.03353	2.8
119.01904	3.8
119.08587	2.8
121.10191	2.5
124.03944	8.8
126.05527	5.6
126.09188	3.5
127.01540	9.3
128.03415	3.0
128.07076	15.8
128.98618	5.3
129.05496	5.7
129.10248	3.0
130.04985	50.8
130.05803	5.9
130.08646	5.9
131.03421	5.6
132.04425	4.8
132.10162	3.4
132.95874	2.5
133.01625	2.3
134.99654	17.6
137.02948	3.5
138.05513	9.1
138.09169	3.5
142.08652	2.7
145.02826	3.5
146.05994	7.6
146.99649	10.0
147.11276	4.2
149.01285	2.8
154.04964	4.2
154.08621	4.6
155.04565	6.6
155.06993	5.6
156.06389	63.4
156.07455	15.9
156.10185	97.3
158.06015	3.0
158.08165	2.6
158.99617	2.9
159.02901	10.2
159.06538	6.1
161.01170	3.1
165.00586	3.7
167.01067	2.6
168.01840	3.7
170.04457	6.9
172.06039	75.4
172.07559	3.6
172.09680	3.4
172.13316	11.7
173.08076	4.3
174.08517	12.8
174.11253	73.0
177.00652	8.4
177.02147	3.2
177.05469	5.9
190.05295	4.8
190.07085	33.7
190.96429	2.8
190.98611	2.4
193.00244	3.1
194.00476	3.3
195.01761	3.2
200.05583	13.7
200.07228	3.6
200.12788	17.2
200.97197	2.6
203.14304	15.0
218.04607	3.9
218.06624	54.2
218.11247	15.0
218.13747	18.0
218.17418	18.0
218.21214	3.9
219.17441	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	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01863	4.8
55.05505	22.7
56.05027	7.4
56.05848	12.7
56.96564	46.9
57.03432	10.5
58.99599	2.9
59.04990	2.5
60.04513	8.4
60.08159	9.6
61.02913	10.4
67.05495	5.3
68.05024	5.0
68.99739	2.3
69.03426	14.8
69.07082	12.1
70.02957	4.3
70.06591	100.0
70.20086	10.1
70.20419	2.9
71.01346	12.9
71.04993	10.3
71.95251	4.8
72.04514	49.0
72.08157	52.3
73.02915	5.9
73.06550	2.9
73.08481	20.3
74.06078	6.6
75.04480	5.2
79.05484	3.1
80.05020	3.0
80.43245	2.6
81.03417	4.4
82.02959	2.7
82.06570	6.0
83.04966	17.7
84.04514	11.9
84.05311	10.9
84.08138	25.8
84.96016	3.1
85.02902	96.4
85.06525	2.6
86.02427	2.5
86.06068	69.1
86.09704	9.1
87.04469	68.8
87.42867	2.4
88.04018	4.8
88.07647	18.7
88.99124	2.7
91.05476	5.3
94.02927	19.9
95.01328	3.9
95.08595	3.0
96.04485	5.5
96.08138	3.1
97.02885	11.0
97.06530	20.0
98.06049	10.5
98.97577	12.9
99.04427	6.8
100.03986	15.3
100.07599	11.6
101.06016	4.4
101.07944	5.2
102.05547	6.3
103.03955	5.2
104.07057	3.1
107.08594	2.7
109.02888	5.5
110.06062	5.2
111.04436	11.2
112.04041	4.7
112.04774	16.3
112.07613	3.7
113.02369	8.1
113.06022	3.4
114.01884	4.2
114.05526	9.1
114.06315	5.4
114.09173	7.5
116.98607	16.1
117.03353	2.8
119.01904	3.8
119.08587	2.8
121.10191	2.5
124.03944	8.8
126.05527	5.6
126.09188	3.5
127.01540	9.3
128.03415	3.0
128.07076	15.8
128.98618	5.3
129.05496	5.7
129.10248	3.0
130.04985	50.8
130.05803	5.9
130.08646	5.9
131.03421	5.6
132.04425	4.8
132.10162	3.4
132.95874	2.5
133.01625	2.3
134.99654	17.6
137.02948	3.5
138.05513	9.1
138.09169	3.5
142.08652	2.7
145.02826	3.5
146.05994	7.6
146.99649	10.0
147.11276	4.2
149.01285	2.8
154.04964	4.2
154.08621	4.6
155.04565	6.6
155.06993	5.6
156.06389	63.4
156.07455	15.9
156.10185	97.3
158.06015	3.0
158.08165	2.6
158.99617	2.9
159.02901	10.2
159.06538	6.1
161.01170	3.1
165.00586	3.7
167.01067	2.6
168.01840	3.7
170.04457	6.9
172.06039	75.4
172.07559	3.6
172.09680	3.4
172.13316	11.7
173.08076	4.3
174.08517	12.8
174.11253	73.0
177.00652	8.4
177.02147	3.2
177.05469	5.9
190.05295	4.8
190.07085	33.7
190.96429	2.8
190.98611	2.4
193.00244	3.1
194.00476	3.3
195.01761	3.2
200.05583	13.7
200.07228	3.6
200.12788	17.2
200.97197	2.6
203.14304	15.0
218.04607	3.9
218.06624	54.2
218.11247	15.0
218.13747	18.0
218.17418	18.0
218.21214	3.9
219.17441	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	218.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69083	0.9
53.03951	1.0
55.01855	3.9
55.05510	6.1
56.02203	1.2
56.05030	5.7
56.05833	3.1
56.96564	7.9
57.03430	9.3
57.05360	1.6
58.02956	2.8
58.03759	2.4
60.04501	2.9
61.02926	12.7
61.04066	1.2
67.05495	1.3
68.05019	2.0
69.03425	65.8
69.07051	1.3
70.03760	61.1
70.06585	2.1
70.41956	1.8
70.42355	2.4
71.01324	1.3
71.04976	1.5
72.04511	8.4
72.08164	5.3
73.02898	2.9
73.04842	3.2
74.06055	2.8
74.57458	1.0
74.69695	1.0
75.04485	1.5
81.03409	3.0
82.06577	1.9
83.01344	1.5
83.04968	6.0
84.04502	45.7
84.05251	5.2
84.08132	15.8
85.02901	21.0
85.04222	3.8
85.04833	45.0
86.02431	1.7
86.03238	16.0
86.06062	5.8
86.09702	2.4
87.04460	7.5
88.03983	4.8
88.07619	2.8
89.04307	1.4
90.05577	1.4
94.02960	1.1
95.01329	17.2
95.01885	2.3
96.01658	25.6
96.04428	1.6
97.02883	1.3
98.06052	2.6
98.97559	1.7
99.04451	1.4
100.03957	5.3
100.07605	10.8
101.00896	1.7
101.02370	4.7
101.05982	1.3
101.07921	8.5
102.02712	3.7
102.05536	2.2
102.06311	1.5
103.03966	1.9
105.17908	1.1
105.96277	1.0
111.04438	3.6
111.51860	1.5
112.01141	1.2
112.03973	34.0
112.04752	5.5
113.01583	2.0
113.02370	34.4
113.03651	3.7
113.04298	58.4
113.05955	1.9
114.02695	51.5
114.05528	1.6
114.06317	1.4
116.98622	3.0
118.05097	1.2
119.01882	6.0
120.01988	3.8
120.52372	1.8
121.30441	1.0
126.01913	1.3
126.05508	1.5
126.09154	4.8
128.03467	2.8
128.07088	4.7
129.01875	1.3
129.02950	2.2
129.03787	5.9
129.05470	1.7
129.10217	2.1
130.03322	3.6
130.04980	13.8
130.05855	2.8
130.08679	1.1
131.01965	1.7
131.05348	19.9
132.10214	1.4
133.03471	1.7
134.99641	2.6
137.02936	3.4
138.03079	2.1
139.02568	1.2
140.07039	2.0
142.02798	1.9
142.05029	1.4
143.69197	1.2
144.99831	3.5
146.03476	1.9
146.04562	6.2
147.04842	18.0
154.05028	1.5
154.08633	3.5
155.04515	3.5
155.07037	3.5
156.04895	16.1
156.07408	13.8
156.10120	6.2
158.04552	1.1
159.43349	1.2
160.97652	1.4
161.02942	1.7
163.00816	1.5
164.04709	3.1
165.00691	1.1
172.06036	1.3
172.09682	13.6
172.99254	1.3
174.03983	1.6
174.08443	4.2
174.11255	6.9
175.04355	8.9
176.06717	1.5
177.02385	2.6
178.98671	1.3
187.00854	1.7
189.02390	1.1
190.02576	1.9
190.52853	1.0
191.00458	1.6
200.03864	37.1
200.05551	1.9
205.02037	1.3
217.01950	1.9
218.04887	100.0
218.10094	10.0
218.15736	2.9
219.05035	3.8
219.17487	3.9
230.19418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1948
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.01863	2.8
55.05506	55.6
57.07054	3.5
59.04983	5.0
65.03931	2.5
67.05499	35.4
69.03414	4.5
69.07060	15.8
70.04234	1.0
73.02891	3.9
79.05059	2.1
79.05486	27.5
81.07050	58.3
83.04974	63.3
83.08623	10.0
84.05286	1.7
85.06543	3.8
87.04461	7.6
87.04904	1.2
88.64712	1.0
89.02396	8.4
89.06021	7.2
91.04897	1.5
91.05471	27.8
93.07032	38.9
95.04945	2.9
95.08596	55.9
97.10153	3.4
98.20741	2.8
99.04452	4.7
101.06004	20.4
105.07023	47.1
107.08585	43.0
109.06499	2.1
109.10144	40.2
111.04433	58.7
111.08063	1.6
113.05997	11.5
115.05342	1.2
117.07048	2.4
119.08572	39.1
121.10127	45.4
122.10397	1.2
123.08090	1.3
123.11700	16.9
127.07523	13.5
128.06206	2.1
129.05469	30.7
129.06992	3.7
131.08559	5.0
133.06503	1.5
133.09109	2.0
133.10114	32.8
135.08009	1.5
135.11682	36.0
137.06023	2.0
137.13217	2.2
143.08540	1.9
145.06422	1.5
145.10083	3.5
147.11674	36.6
149.13246	7.3
155.07016	100.0
156.05705	3.9
156.07336	3.0
156.09311	1.5
157.10114	2.7
159.11636	3.5
161.09584	3.6
161.13234	45.2
171.11694	3.7
173.08086	43.0
173.09377	0.8
173.13219	2.0
175.14801	13.8
188.81468	1.3
189.12732	1.3
189.16386	4.9
199.09560	3.3
199.14873	2.2
217.08617	3.9
217.10637	33.0
217.15901	7.5
217.19493	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03939	1.5
55.01847	1.2
55.05507	38.1
55.85619	1.2
57.07056	3.8
59.04974	2.8
65.03895	2.0
67.05499	28.9
69.03416	2.7
69.07067	28.8
71.08627	1.2
72.45315	1.2
73.02910	5.5
79.05490	14.2
81.06582	2.7
81.07051	43.5
81.07526	2.6
83.04980	29.2
83.08614	10.9
85.06532	2.3
86.58972	1.2
87.04459	2.3
89.02350	1.8
89.06027	3.1
91.05474	18.6
93.07036	23.7
95.08601	62.0
97.10152	4.0
99.04388	1.7
101.06017	10.3
105.07025	66.5
107.08591	43.6
109.06500	1.8
109.10152	59.5
111.04430	27.5
111.11694	3.7
113.05974	5.0
117.06996	3.6
119.08577	84.0
121.10139	32.5
123.11699	24.4
127.07532	5.0
129.05487	11.2
131.08565	3.7
133.10130	43.9
135.11697	12.6
136.54591	1.3
137.13214	2.7
142.42325	1.4
145.10094	4.0
147.10490	2.7
147.11674	49.4
148.12141	1.3
149.13246	3.4
155.07025	44.9
156.07443	2.1
159.11674	5.7
160.12434	1.9
161.13249	68.2
162.13988	1.7
173.08087	19.6
173.13188	3.5
175.14828	27.4
189.16350	7.1
199.09615	3.1
199.14838	1.5
212.32828	1.4
217.10631	14.3
217.12291	1.7
217.19501	100.0
218.15701	1.3
218.19807	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	CHEBI:73881
Peak:m/z	Relative Intensity
53.03942	3.8
55.05511	44.7
56.48235	1.8
59.04989	3.8
59.75634	1.7
60.04490	2.2
67.05502	36.6
69.03407	2.5
69.06727	2.3
69.07068	26.1
70.29862	7.0
73.02909	2.5
73.16176	1.7
79.05490	17.3
81.06586	2.7
81.07056	46.2
83.04977	41.5
83.08622	10.9
84.04463	1.7
85.06511	2.6
87.04469	6.2
89.02378	4.0
89.06008	5.3
91.05473	26.7
93.07038	31.4
95.04957	4.6
95.08604	67.7
97.10156	2.3
99.04445	2.6
101.06025	14.0
103.95620	2.1
105.07029	73.1
107.07869	3.6
107.08585	49.4
109.10149	62.3
111.03703	3.2
111.04440	47.4
113.06027	9.4
117.06988	3.6
119.08578	73.9
121.10139	43.3
123.11716	25.0
127.07558	10.6
128.06241	2.1
129.05478	19.3
129.06947	4.8
131.08542	6.2
133.06447	2.4
133.09137	2.5
133.10124	47.1
135.11700	17.5
137.13220	2.2
141.01799	4.0
143.08484	6.0
145.10118	8.3
147.11682	55.2
149.13239	6.0
155.07027	74.4
157.10104	6.3
159.11697	8.4
161.09541	3.5
161.13248	59.3
162.13628	2.8
169.03493	12.3
171.01439	3.3
173.08081	29.6
173.13223	3.6
175.14807	16.0
176.05550	4.2
189.16379	9.5
199.09660	2.8
199.14812	4.7
217.10678	24.8
217.12515	2.6
217.15880	10.1
217.19504	100.0
218.06578	5.2
218.19789	2.8
239.25063	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	217.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05507	52.3
56.05850	1.5
57.07060	3.5
59.05000	4.0
67.05503	35.6
69.03416	2.7
69.07060	28.0
70.02950	1.6
71.08627	1.3
71.57605	1.7
71.57960	1.6
79.05487	16.8
81.06583	2.7
81.07053	46.1
83.04482	3.0
83.04977	50.2
83.08618	10.5
84.04463	1.4
85.02892	3.3
85.06546	2.3
87.04471	7.3
87.04948	1.3
89.02373	5.2
89.06035	3.4
91.04967	2.3
91.05478	26.4
93.07040	28.8
95.04963	2.8
95.08603	74.3
97.02872	2.4
97.10167	2.6
99.04445	4.1
101.06017	16.6
103.05484	2.1
105.07025	71.9
106.07343	2.5
107.08588	43.5
109.10152	63.3
111.04441	43.4
113.06015	8.4
115.05445	1.9
117.06992	6.3
119.08575	78.6
121.10141	43.1
123.00809	1.6
123.11707	22.4
127.07545	8.4
129.05473	21.8
129.07010	3.7
131.08562	6.6
133.10124	43.7
135.11697	15.6
137.05923	1.6
137.13223	2.9
141.01825	1.3
143.08536	4.2
145.10080	6.3
147.08061	1.9
147.11679	56.0
149.13237	3.7
155.07027	66.7
156.09341	1.5
157.10147	2.7
158.10869	1.6
159.11690	8.2
161.13248	58.7
162.13713	1.8
169.03476	6.4
171.01465	1.8
171.11670	1.9
173.06616	1.5
173.08096	27.6
173.13280	2.9
174.13995	1.9
175.14838	17.8
189.16402	10.4
199.09645	3.6
199.14900	7.3
217.10655	19.5
217.12457	3.3
217.15906	10.8
217.19505	100.0
218.06628	4.7
218.19879	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	217.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.98444	1.0
55.01862	2.9
55.05506	55.2
57.03426	1.3
57.07053	4.6
58.86217	1.3
59.04981	2.6
62.34110	1.1
65.03921	2.4
67.05502	28.0
69.03407	4.9
69.07063	22.1
69.76263	1.1
69.93262	6.9
73.02908	14.0
79.05126	1.0
79.05489	10.3
81.03413	1.3
81.07048	33.5
83.04974	64.9
83.08605	12.7
85.02866	3.1
85.06512	4.5
87.04457	8.3
88.06828	1.0
89.02396	6.5
89.06034	5.9
91.05472	16.1
93.03410	1.4
93.07035	17.8
95.04964	2.7
95.08598	45.4
97.02863	2.6
97.10146	4.2
99.04453	5.5
100.07584	1.7
101.06004	21.0
103.05433	1.7
105.07021	48.2
107.04938	1.2
107.08585	33.6
108.82137	1.1
109.06448	1.6
109.10145	42.4
111.04431	53.2
111.08060	2.7
111.11691	1.9
113.06001	13.0
117.07013	4.9
119.08570	58.9
121.06422	1.5
121.10135	30.9
123.11691	19.6
127.07539	11.2
128.06233	2.9
129.05472	34.9
129.06996	4.3
131.08566	7.8
133.06476	2.0
133.10117	39.3
135.11691	11.4
137.05939	3.1
137.13196	1.9
139.03880	1.4
142.07753	1.4
143.08548	4.8
144.09256	1.8
145.10083	4.9
147.11674	35.3
149.13293	2.4
155.07021	100.0
156.07332	3.4
156.09343	2.5
157.10074	6.0
158.10855	1.8
159.11687	15.2
161.05898	2.3
161.09593	4.1
161.13243	51.0
162.13771	1.8
171.11671	3.0
173.08086	39.6
173.13249	4.6
174.02539	1.1
175.07477	2.1
175.11111	1.8
175.14821	16.9
176.15474	1.4
184.12463	2.4
188.02344	1.8
189.09084	1.4
189.16350	6.2
199.09615	4.2
199.14815	4.5
217.08812	1.3
217.10622	37.0
217.16058	16.3
217.19482	66.4
218.19826	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	217.1584
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03930	1.4
53.15331	1.0
55.01857	3.3
55.05507	41.6
56.96555	2.2
57.03422	1.2
57.07059	1.9
59.04987	5.1
65.03938	2.3
67.05498	12.6
69.03424	5.9
69.07058	18.3
69.31335	11.2
73.02898	2.4
79.05486	7.9
81.07047	11.8
83.04972	61.5
83.08608	7.7
85.06528	4.6
86.06044	1.4
87.04455	8.4
89.02390	6.8
89.06008	6.3
91.05473	14.2
93.03401	1.1
93.07021	13.0
95.04961	7.5
95.08604	13.6
95.22495	1.0
97.06529	1.7
99.04433	4.3
100.07574	1.4
101.06011	18.9
105.07026	27.5
107.08589	15.3
109.06493	3.9
109.10159	11.7
111.04431	60.7
111.08053	4.3
113.06002	12.5
115.05426	2.5
115.98277	1.1
117.07013	5.2
118.45538	0.8
119.08572	53.9
121.06506	2.5
121.10138	13.5
123.08056	3.8
123.11694	2.5
127.07562	11.5
128.06223	2.4
129.05481	29.5
129.06929	5.8
131.08559	13.2
133.06471	4.3
133.10115	25.6
134.99680	1.3
135.08020	2.4
135.11662	4.5
137.05936	2.3
142.07770	5.3
143.08545	8.4
144.09265	2.2
145.10114	12.3
146.07248	2.1
147.06464	1.2
147.08037	6.4
147.11678	12.0
148.08815	2.8
149.09575	4.3
149.13223	1.0
155.07014	100.0
156.05669	1.1
156.07356	1.8
156.09286	3.1
157.10117	14.3
158.10895	3.4
159.11679	11.6
160.08813	1.6
161.05870	1.4
161.09612	16.4
161.13220	6.8
169.10089	1.6
170.10841	2.6
171.11658	7.1
173.01698	1.4
173.08095	39.3
173.09496	1.4
173.13258	14.5
175.11189	10.8
175.14801	9.2
179.01768	1.0
180.51030	1.9
182.99857	1.0
184.12454	2.9
187.11218	2.9
187.14789	3.8
188.02245	3.1
189.09103	2.7
189.12691	1.7
189.16365	9.3
199.07883	1.2
199.09647	3.4
199.14812	11.1
202.13559	1.5
203.02779	8.4
203.52933	2.1
217.08618	2.5
217.10640	32.1
217.15852	65.0
217.19139	9.7
218.11678	3.2
218.16161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1546
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.01876	0.5
55.05502	1.4
56.05038	0.6
56.96577	2.0
57.03429	0.8
58.06600	2.9
69.03426	5.6
70.03844	0.7
70.04253	1.1
70.06597	2.5
70.98089	0.6
72.04514	9.5
74.06068	1.7
77.09778	0.4
83.04977	1.4
84.04497	4.4
85.02901	2.1
86.06071	0.8
87.04489	1.9
88.39220	0.4
94.41241	0.3
95.01328	1.3
98.97585	1.4
100.07612	100.0
101.07943	0.8
102.44454	0.4
111.04441	1.4
111.51816	0.6
112.03954	5.2
112.07560	0.4
113.02366	3.7
113.03504	0.5
116.07096	3.4
116.98608	0.9
118.08644	1.2
120.52331	1.0
120.85970	0.4
128.03453	0.6
129.05487	0.7
130.04980	2.0
133.03525	0.4
134.99623	0.9
142.02644	0.6
145.06023	0.8
146.04465	1.2
146.99626	0.4
154.08607	0.6
155.04486	1.0
155.07033	2.3
156.10173	1.2
158.08141	0.4
158.11893	0.4
165.00745	0.7
173.08028	1.0
174.03986	0.5
174.11278	1.5
199.03510	2.2
205.01286	0.4
213.44417	0.3
217.04555	5.9
217.15459	15.1
218.15863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.02980	1.0
55.05501	3.1
56.05024	4.4
56.96572	5.5
57.03423	4.2
57.98194	1.3
58.02948	2.4
58.06590	3.3
63.32244	1.2
69.03430	72.5
69.50558	6.9
69.50987	3.6
70.06588	3.7
72.04517	15.4
72.08160	20.1
73.02898	1.3
74.02446	1.1
74.02869	1.1
83.01307	1.2
83.04986	2.0
84.04503	55.2
85.02903	21.4
85.03381	2.3
86.02407	1.7
88.03978	2.9
95.01331	22.8
98.97547	2.1
100.03924	1.3
100.07616	100.0
101.02357	4.1
102.59468	1.3
110.41986	1.4
111.04443	1.9
112.03966	56.8
113.02366	53.6
116.07082	1.5
116.98612	2.0
118.08627	1.8
119.01926	4.5
125.21462	1.3
128.03433	6.2
129.01915	1.9
129.02930	4.3
129.03877	1.2
130.05002	22.6
134.99623	1.3
135.03110	1.4
137.02875	1.2
138.01875	1.4
145.03429	2.8
146.04488	14.0
146.99600	1.9
155.04514	12.9
155.07040	3.1
157.02480	2.3
165.00749	1.3
174.03961	6.2
174.99132	2.9
182.66110	1.2
189.02242	1.2
193.00189	6.6
199.03500	24.6
217.04552	76.5
217.15456	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	216.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03781	33.2
71.56342	35.2
71.56803	40.2
80.66994	31.7
84.33170	35.4
90.24522	31.0
95.37233	38.3
119.03659	100.0
120.02052	63.9
130.05141	43.4
137.04712	98.4
140.28926	35.9
146.04837	38.7
148.06226	47.8
174.04173	66.9
192.05251	87.4
216.05392	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	217.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40673	1.1
55.01866	2.9
55.05500	2.8
56.05042	4.7
57.03442	5.9
57.03660	1.0
58.02951	3.6
58.06584	4.0
58.07435	1.2
69.03426	93.0
69.77305	1.9
69.77711	4.5
72.04510	17.3
83.01334	1.6
83.04972	4.9
84.04501	53.2
85.02901	26.4
86.02411	1.3
87.01925	1.7
87.04502	1.2
88.03954	2.8
95.01327	33.5
98.21473	2.0
100.03944	1.4
100.07611	100.0
101.02383	5.8
101.05993	1.8
110.02361	1.6
111.00833	1.0
111.04435	5.0
112.03960	66.0
113.02361	67.8
114.01834	1.0
114.02621	1.3
118.08672	1.1
121.85984	1.1
127.01269	1.0
128.03429	8.7
129.01845	2.9
129.02954	5.6
129.05469	1.3
130.04999	24.2
138.01796	1.0
145.98448	1.0
146.04482	14.0
147.04912	1.1
155.04504	16.8
155.07013	6.5
157.02422	1.8
173.08109	2.6
174.03992	8.1
199.03488	27.4
210.25185	0.9
217.04547	72.1
217.15448	14.3
220.32527	0.9
234.97920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09276	1.4
54.64803	1.4
55.05511	47.7
56.05031	6.7
56.96567	2.1
58.02957	2.5
58.06589	1.5
67.05515	1.8
67.34923	1.6
68.05024	6.0
70.02956	5.7
70.06586	4.3
70.60853	1.6
70.61663	3.6
72.04518	4.0
72.93777	3.7
73.02920	4.8
81.07057	3.8
82.06584	3.0
83.08614	36.1
84.04508	5.1
84.08154	2.7
86.02420	9.6
87.05592	19.6
88.03996	9.7
90.94816	2.3
91.05485	2.5
95.04945	1.7
95.08617	2.1
96.04463	2.4
99.00833	3.6
99.08094	1.6
100.03969	9.0
100.11253	18.7
101.09663	1.8
102.05508	7.1
110.06043	2.3
110.09676	100.0
112.11250	23.7
114.05496	2.1
124.11208	6.1
126.12796	10.1
127.12316	2.3
128.03491	2.1
132.95837	7.4
134.99704	1.6
150.96873	26.2
152.10696	21.0
153.60995	1.4
154.12257	6.2
156.10199	87.8
168.97929	1.8
169.13356	30.3
170.11760	35.7
173.98622	1.7
191.97186	4.8
198.11252	66.4
209.98259	3.1
215.07135	1.8
215.13895	27.9
230.37567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01877	1.9
55.05508	54.5
56.05040	9.9
56.96560	6.3
57.03429	1.5
58.02941	1.9
58.06624	1.6
60.04530	3.2
60.81029	1.5
67.05486	5.2
68.05029	3.6
69.07043	1.6
70.02946	4.5
70.06569	9.4
70.16746	4.7
70.17151	2.7
70.95853	5.3
72.04522	2.5
72.08130	3.8
72.93795	10.8
73.02906	4.5
74.09739	1.8
76.06728	1.6
79.05459	1.5
81.07043	5.6
82.06570	5.8
83.08617	40.6
84.04498	8.3
84.08152	4.2
86.02417	7.9
86.09700	2.7
87.04468	4.5
87.05579	22.4
88.03992	9.8
90.94817	9.3
91.05486	4.1
93.06996	1.9
95.04981	2.3
95.08592	4.2
96.04517	2.9
96.08117	1.9
98.09680	2.6
98.20838	1.9
99.00806	3.4
100.03976	8.9
100.11256	20.2
101.09664	3.3
102.05545	6.7
105.06994	2.0
108.08089	2.3
108.95848	3.8
110.05996	1.8
110.09680	100.0
111.09991	2.1
112.11238	29.4
114.05585	2.0
115.05404	1.8
116.98586	3.5
119.04915	2.5
124.11223	10.8
126.12812	11.7
128.10681	3.1
131.08559	2.2
132.95848	16.6
134.99628	3.4
137.05907	1.6
142.95671	1.5
145.06485	2.5
145.07622	3.0
149.96103	3.9
150.96886	72.4
151.97240	2.1
152.10698	26.1
153.00645	2.0
154.12239	4.6
155.07013	6.2
156.10196	88.7
166.03737	1.7
167.97169	6.4
168.97922	7.0
169.13353	33.5
170.11755	37.2
173.02350	2.0
173.98459	3.7
187.07506	2.6
191.97180	13.8
197.05904	1.6
198.11246	74.4
209.98178	9.5
214.98817	2.3
215.07043	2.6
215.13918	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	215.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46591	4.0
51.26639	4.1
52.93172	4.4
57.74260	4.0
58.89638	4.8
64.63243	4.3
66.93086	4.2
71.56312	3.5
71.56686	5.1
87.68347	4.3
94.61885	4.1
100.02475	11.3
101.00897	11.8
117.02728	4.0
118.03512	95.8
118.04321	7.6
119.01915	75.8
126.04023	5.6
127.03549	14.6
129.05066	37.0
130.03494	22.0
136.03520	4.9
136.04550	100.0
137.02957	36.7
137.04568	4.8
141.05104	5.4
142.03526	11.6
144.03899	8.6
144.05038	52.5
145.04533	42.7
146.03023	5.4
147.06145	54.1
148.04546	17.4
154.03513	8.0
160.04567	17.0
162.06123	16.8
170.02983	18.3
171.06174	18.3
172.04507	25.3
173.04041	52.6
173.46796	4.3
174.02464	8.5
180.01361	12.3
188.04047	24.2
189.07217	17.1
190.05598	22.5
191.05104	78.4
197.04158	6.0
198.02513	32.5
199.00830	5.8
202.86288	4.4
206.05058	7.1
213.99022	4.6
215.05116	67.0
216.03542	11.8
221.92216	4.8
225.80188	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.05513	4.5
56.96555	1.4
57.07074	4.8
67.05501	1.2
69.03429	1.6
69.07069	8.8
70.96666	1.7
70.97010	1.1
79.05492	7.4
80.71587	0.6
81.03393	0.8
81.07032	2.5
83.04959	1.9
83.08609	2.7
85.02888	1.5
88.07635	0.8
91.05476	9.0
93.07042	7.3
95.04961	2.3
95.08585	2.6
97.02896	1.1
103.05456	2.1
105.07023	62.8
107.08597	6.4
109.06525	0.8
115.05469	1.4
117.07004	4.7
119.08574	55.9
120.08885	1.1
121.10129	9.9
123.08046	0.9
128.06212	14.3
129.07013	11.4
131.08568	3.0
133.10120	6.5
137.46118	0.8
141.06969	5.3
142.07759	21.4
143.08551	59.4
144.08969	1.2
145.06502	1.6
145.10092	4.8
147.11644	0.8
155.08505	4.7
156.09341	21.1
157.10117	62.0
158.10748	2.6
159.11696	2.5
169.10133	4.6
170.10883	4.4
171.11673	55.4
172.12332	2.0
183.11707	9.8
184.12454	2.9
185.13231	7.0
195.11760	1.0
198.14038	8.5
199.14822	1.3
213.12917	2.4
213.16368	100.0
214.16806	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57426	1.0
52.04602	1.0
53.03930	2.8
55.01873	1.2
55.05511	52.6
56.05036	1.2
56.96535	1.5
57.03422	2.3
57.07063	1.8
67.05502	34.4
69.03426	1.1
69.07066	50.2
70.06576	1.9
70.70451	3.9
71.04987	4.4
73.06552	3.0
79.05492	16.5
81.07056	85.3
81.30102	1.0
83.04977	5.0
83.08147	2.1
83.08619	39.8
84.08128	1.7
85.02886	1.4
85.06540	7.4
85.68880	1.1
87.62230	1.1
91.05478	17.1
93.07047	22.1
95.04984	2.5
95.08605	100.0
96.08886	1.3
97.06526	14.7
97.10163	12.4
99.08076	3.5
99.28927	1.2
101.05986	1.1
105.07032	18.8
107.08593	7.0
109.06505	4.1
109.10161	7.5
109.57584	0.9
111.08066	4.6
113.09679	1.1
115.07570	3.1
117.07016	3.2
119.08582	32.3
121.10139	6.3
123.08061	7.9
127.07539	2.9
131.08583	1.2
133.10129	14.9
135.11688	13.8
137.09637	6.6
137.13249	15.4
141.09096	2.4
141.98076	0.9
142.36775	1.0
150.96840	1.3
159.11748	2.0
161.13258	36.5
179.14235	6.1
184.87025	1.0
187.11172	1.8
196.16969	12.7
214.18030	42.2
215.10722	1.0
215.17929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	1.1
56.96558	1.7
58.01461	1.1
58.99864	1.3
60.04507	1.3
70.01446	1.3
70.02930	1.3
71.56227	0.8
76.02498	1.7
77.00890	1.5
82.01431	1.0
82.99873	2.4
84.03011	0.4
86.00906	0.8
87.05603	0.4
88.02506	2.4
89.69312	0.4
94.03526	0.9
95.01896	0.5
100.02460	9.5
101.00863	10.7
102.04027	3.3
104.01939	3.0
106.03534	1.0
109.02531	0.6
111.04063	1.5
112.02440	1.7
117.02731	1.9
118.03513	93.7
119.01911	85.9
119.03616	3.2
120.02021	2.8
120.05095	1.7
122.03029	3.3
124.02452	0.7
126.02758	2.1
126.03924	2.5
127.03543	10.9
128.01958	0.5
129.05095	34.1
130.03497	19.8
130.05190	1.5
131.01883	0.7
131.03624	0.5
132.01378	0.9
134.03014	0.6
135.03764	2.4
136.04547	100.0
137.02950	41.8
137.04529	3.3
138.03000	1.0
141.05072	3.5
142.03484	9.9
143.02980	0.9
143.06667	0.8
144.03830	5.2
144.05040	45.7
144.51486	0.5
145.04565	37.1
146.02965	2.0
146.04697	1.3
147.01382	0.7
147.06139	44.9
148.04550	18.3
148.06288	1.3
149.02980	0.5
149.04596	0.7
150.02408	0.6
152.06647	0.7
153.05083	1.4
154.03470	9.7
155.03058	1.3
156.01479	2.6
159.06184	2.2
160.03200	0.7
160.04547	13.0
161.04012	2.3
162.02454	0.7
162.06114	15.8
163.06264	0.4
167.06679	2.8
168.06142	0.7
169.04539	1.3
170.02972	17.4
170.07751	1.4
171.01364	2.2
171.03046	0.8
171.06146	17.1
172.04543	23.9
172.05910	1.1
173.04070	44.6
174.02507	9.6
174.04193	1.5
177.04999	0.6
178.05585	5.9
179.05138	1.3
180.01408	9.5
187.00977	0.5
187.05612	0.9
188.04033	33.2
189.02397	2.1
189.04260	1.3
189.07191	14.1
190.05606	13.2
190.07185	0.6
191.05121	63.4
192.03563	1.1
192.05280	1.9
195.06128	1.4
196.05670	3.9
197.04077	7.8
198.02463	23.9
199.00862	3.8
199.02550	0.9
206.05080	6.4
211.05609	1.6
212.08783	1.3
214.06744	1.4
214.84056	1.5
214.85249	1.0
215.05119	75.0
216.03511	11.8
216.05325	2.0
217.01846	3.5
221.04086	1.2
233.06168	4.9
234.04468	0.7
239.05237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
52.82492	1.3
53.03930	3.2
55.01867	17.7
55.05508	87.6
56.96550	2.6
57.03426	2.9
57.07075	3.0
58.67283	1.3
59.04980	2.1
65.03904	1.5
67.05500	33.4
68.04977	1.1
69.03424	17.2
69.07059	18.4
69.34774	5.4
69.35217	6.4
70.06561	2.3
71.04989	78.9
72.08137	1.2
73.06511	1.1
73.58959	1.3
75.37498	1.2
79.05488	30.4
80.21695	1.2
81.03393	3.7
81.06581	2.7
81.07050	43.0
82.07354	1.7
83.04983	9.1
83.08615	50.8
85.02896	1.6
85.06544	8.8
85.60940	1.2
87.04470	9.5
91.05464	12.3
93.07041	26.2
95.04953	4.3
95.08610	14.2
97.06526	100.0
97.10162	72.1
98.97551	1.4
99.04449	2.8
99.08115	1.3
101.09635	2.9
105.07021	6.7
107.04929	4.7
107.07878	1.6
107.08584	25.5
109.02847	1.7
109.06501	2.6
109.10143	19.5
111.04496	1.3
111.08076	6.4
113.05999	1.4
115.05391	2.4
116.98578	3.1
117.07005	6.0
119.08566	4.3
121.06507	3.2
121.10136	5.4
123.08009	1.5
125.09627	42.7
126.09953	2.1
127.03913	3.4
128.06210	3.8
129.06978	4.2
131.08563	7.2
133.10120	5.1
134.99614	1.9
135.08026	6.4
135.11679	7.6
136.76848	1.2
141.06956	4.1
142.07776	7.4
143.08559	6.8
148.97356	2.0
149.09593	2.3
149.13229	4.8
153.06999	2.2
153.09053	1.6
154.07674	1.3
155.08507	4.9
156.09299	5.2
156.28387	1.4
157.10112	13.2
159.11687	7.0
165.06996	7.0
167.07132	1.9
167.08504	2.1
167.14386	1.3
169.10085	1.6
170.10915	10.1
171.08142	1.5
171.10236	1.3
171.11687	6.5
177.12766	8.1
180.09351	9.5
183.08070	3.7
185.09581	3.9
185.13264	5.5
189.09480	1.3
189.11176	6.1
195.11734	7.7
195.13791	35.0
198.06673	1.8
198.10477	6.2
200.59424	1.3
213.05444	3.8
213.09251	9.8
213.12726	17.0
213.14833	72.9
213.16376	5.7
214.15179	1.9
215.61197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89333	0.5
53.03938	1.7
54.28559	0.5
55.01865	0.9
55.05510	7.8
56.05035	4.2
56.96555	2.0
57.03428	0.7
58.02947	0.6
60.04520	2.7
65.03916	0.9
67.04247	0.8
67.05506	3.9
68.01410	0.7
68.05026	5.2
68.08941	0.7
69.07057	1.8
70.02950	1.7
70.06580	1.9
70.63088	1.4
72.04506	1.3
72.08140	2.9
73.02883	1.1
77.56166	0.6
79.05489	18.8
80.05013	10.6
81.07054	34.1
82.06578	15.9
83.08614	2.9
84.04500	1.8
86.02415	2.8
86.09698	2.9
87.05587	14.0
91.05475	4.6
93.05782	4.1
93.07042	1.9
94.06563	3.4
95.07332	2.6
95.08607	4.8
96.04501	1.5
96.08130	2.7
97.08904	11.3
98.09692	6.9
99.00803	1.2
99.08086	1.1
100.03954	2.3
105.07014	1.5
106.06576	0.8
107.08611	1.5
108.04463	2.2
108.08112	100.0
109.06532	0.9
109.08459	1.7
110.06072	0.7
110.09670	15.2
111.04401	0.9
114.05520	2.0
116.03492	0.7
116.98624	0.8
122.09663	16.0
123.08057	2.9
124.07575	0.9
124.11250	3.3
126.05500	3.2
126.09158	5.2
128.03452	2.1
136.07628	1.8
141.10333	0.8
142.04951	1.4
150.09131	7.3
152.10707	1.4
154.05043	6.4
154.08618	50.3
167.11786	7.7
168.10191	4.9
169.13394	0.8
196.09676	19.7
213.12323	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	213.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
54.19812	0.6
55.01862	1.9
55.05510	9.2
56.05028	3.3
56.96558	4.5
57.03421	0.9
57.07046	1.0
60.04514	2.3
61.02924	0.9
65.03928	1.2
65.72774	0.7
67.05509	4.3
68.05022	5.1
69.03441	1.1
69.07044	2.2
70.02934	2.1
70.06590	3.8
70.71822	0.6
70.94261	0.7
71.20490	1.7
72.08140	6.1
73.02911	0.9
75.01434	1.0
79.05490	18.1
79.05952	0.9
80.05013	9.9
81.03412	1.3
81.07050	33.9
82.06573	16.0
83.04958	1.2
83.06042	0.6
83.08598	2.2
84.04495	2.3
84.08146	0.8
85.02902	0.9
86.02422	1.5
86.09708	8.0
87.05584	14.1
88.07620	1.5
91.05476	4.8
93.05771	3.8
93.07034	3.2
94.06567	4.0
95.04959	3.1
95.06059	0.9
95.07333	2.0
95.08601	5.0
96.04472	1.9
96.08122	3.3
97.06517	0.8
97.08906	14.3
98.09700	6.1
98.97566	1.8
99.00813	1.6
99.04474	1.3
99.05614	0.8
99.08061	1.1
100.03967	2.1
101.55456	0.7
105.07021	1.3
107.04942	3.1
107.08588	2.3
108.04501	3.3
108.08110	100.0
109.02891	1.3
109.06485	1.3
109.08481	0.7
110.03652	2.5
110.06009	0.9
110.09678	15.7
111.04436	2.2
112.03938	1.1
114.05496	1.7
115.03844	0.7
116.03485	0.7
116.98628	1.3
118.06545	0.8
119.08556	1.0
121.06487	1.5
122.09663	12.0
123.08051	2.5
124.02195	2.7
124.11236	2.7
125.05981	5.2
125.06827	0.8
125.10734	0.7
126.05531	2.4
126.09134	6.1
127.03899	1.5
128.03416	1.9
129.07016	1.2
133.02896	1.1
134.99635	2.0
135.04410	2.1
136.07584	1.9
138.30186	0.7
142.04999	1.2
148.16992	0.8
148.97359	1.9
149.05989	1.8
150.09128	7.0
151.03912	6.9
151.05009	1.2
152.10712	1.7
153.05478	1.4
154.05017	7.7
154.08620	52.2
155.06989	0.9
165.05492	3.6
167.07028	1.9
167.11800	7.5
168.10172	5.6
169.13345	0.8
171.99078	0.7
174.00749	1.3
177.05463	2.0
178.08636	0.8
189.01859	1.4
196.09680	22.4
213.05415	0.9
213.09451	0.8
213.10030	0.9
213.12335	15.0
213.16702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57547	46.7
88.03871	14.7
94.93009	30.1
105.46800	15.6
136.94011	34.8
187.59520	15.5
196.04916	47.1
212.85362	100.0
212.97116	16.8
213.07422	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	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	2.7
53.82731	1.0
55.01871	2.7
55.05506	3.0
56.05031	2.1
56.96562	8.3
57.03408	1.3
57.07076	1.1
61.02926	10.5
64.12309	0.9
65.03935	9.3
67.05515	5.1
67.05824	1.0
69.03452	1.7
69.07061	2.8
69.07425	1.0
69.46062	9.5
70.06587	8.7
71.04958	1.2
72.08150	9.3
77.98708	1.0
79.05488	20.9
81.03432	1.5
81.07069	1.5
83.08610	1.3
85.02901	1.2
86.05997	1.1
86.09690	6.5
88.07633	1.9
89.03928	1.6
91.05481	25.5
93.03400	3.7
93.07037	2.2
94.04167	1.2
95.04964	9.5
95.08594	2.0
98.09757	1.2
98.97585	2.3
99.04411	1.4
99.05610	0.9
105.03413	2.4
105.04527	1.9
105.07011	2.2
107.04951	31.2
107.08604	2.1
108.02078	4.2
109.02880	1.8
109.06500	2.7
110.03652	26.8
110.04372	2.1
111.04448	18.4
113.52699	1.0
116.98653	2.6
117.03371	1.5
119.04939	21.0
119.08550	2.0
120.05746	1.4
121.06493	11.9
121.10130	1.5
122.03597	6.5
123.04457	1.7
125.05988	53.5
127.03892	2.1
128.06195	1.0
130.96342	1.1
131.08577	1.6
133.02838	11.1
134.99649	3.7
135.04407	26.4
137.05978	7.4
140.04701	2.6
141.05472	6.1
143.07076	1.8
146.99719	1.6
148.97353	3.9
149.05971	20.2
150.00694	1.5
150.03116	12.3
151.03903	100.0
151.05000	8.8
152.06157	1.6
153.05453	13.1
157.06377	1.7
162.03111	1.7
163.03886	6.9
165.05476	38.3
165.06850	2.0
167.07054	14.3
167.08423	2.0
174.00749	2.7
177.05475	16.6
177.06879	1.5
189.97726	1.7
195.06543	9.5
195.08067	1.8
195.11577	1.1
198.06563	1.2
200.49477	1.0
208.01358	1.2
213.05576	1.8
213.07468	2.5
213.09235	3.2
213.13145	2.8
234.60333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
51.34934	0.7
53.03934	1.5
55.01869	1.3
56.96564	18.0
57.03430	3.5
61.02914	2.4
65.03937	10.9
67.05482	1.4
68.05049	0.8
69.03419	2.8
69.07032	0.7
69.84340	1.6
69.84753	1.8
70.06599	3.4
70.98119	1.3
71.04994	0.8
71.94090	0.7
72.08160	0.6
73.02913	5.0
74.10789	0.5
74.97588	0.9
75.25648	0.6
79.05492	4.9
80.05002	0.7
81.03425	1.9
81.07037	0.8
82.06544	0.6
83.00803	0.6
83.04983	1.0
84.08141	1.9
84.96049	0.8
85.02915	4.1
86.03645	0.8
86.06042	0.7
86.09709	0.8
87.04464	0.9
88.99140	1.6
89.03925	0.7
91.05480	13.7
93.03400	11.3
93.07037	1.6
95.04960	3.5
96.04510	0.7
96.08102	0.8
96.61321	0.6
97.02895	2.4
97.06534	1.1
97.99192	0.9
98.01276	1.4
98.06046	1.7
98.21404	1.0
98.42552	0.7
98.97585	6.5
103.05492	1.1
106.06554	18.1
107.00181	0.7
107.04961	3.8
107.08540	0.7
108.04476	0.8
108.08163	0.8
109.02885	1.1
109.05241	0.6
110.01332	0.7
110.03669	2.7
110.97578	1.5
111.04436	35.8
116.00180	0.7
116.07093	1.1
116.98603	5.9
117.01904	0.9
117.03371	0.8
118.01067	0.7
119.01860	2.5
119.04941	5.8
120.08115	0.6
121.06497	25.0
122.06055	0.9
123.04408	1.7
124.07638	0.7
125.05989	40.9
126.06255	0.6
127.03961	1.4
128.02290	0.8
128.98587	2.6
131.00174	1.3
131.01862	1.5
134.03654	1.9
134.06009	30.0
134.99646	6.2
135.04405	0.6
135.06735	1.0
136.07536	1.3
137.05988	3.7
138.05502	0.7
139.07544	0.7
141.01187	0.6
142.01839	0.9
146.01262	1.4
146.99634	3.6
148.03862	0.9
148.07536	1.1
148.97334	0.7
149.01224	2.2
149.05972	98.7
150.06374	1.5
151.06268	2.2
151.07449	1.4
152.02277	0.9
152.03416	1.3
152.07062	3.5
153.05460	100.0
154.05820	1.3
157.02637	0.8
158.01244	0.9
158.99678	0.8
160.02797	0.7
160.97563	1.2
161.01192	1.6
161.02838	0.9
163.02731	0.7
163.03932	1.3
165.00757	1.7
166.04958	2.1
166.08630	76.7
167.08943	1.3
170.99641	0.8
174.98994	0.6
176.07390	0.7
177.00684	2.2
177.02225	1.0
177.04025	0.8
177.05464	5.6
177.06891	0.9
188.97069	1.2
189.00594	1.4
190.98595	1.2
194.04472	2.4
194.08109	6.4
194.97777	0.6
195.06519	34.1
207.01799	2.2
212.05629	1.0
212.07404	0.8
212.09128	4.9
212.12590	1.1
213.00612	0.8
213.03337	0.8
219.01767	1.1
230.08777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	5.7
53.03927	2.7
54.03249	1.8
54.03469	14.2
55.05497	4.6
56.96555	12.1
57.03422	2.4
59.04999	3.4
61.02905	2.2
65.03945	12.1
67.05489	3.9
68.05009	8.1
69.03423	2.5
69.07062	5.4
70.06593	9.6
71.01344	13.1
71.04972	1.9
71.56544	4.0
72.04515	25.2
72.93787	3.2
75.41321	2.1
79.05492	6.2
80.05013	6.2
81.03399	2.3
81.07041	6.8
82.06587	9.5
83.04969	2.1
84.08108	2.0
85.02898	2.8
86.09686	2.3
87.05525	1.8
90.94859	2.2
91.05476	5.4
92.04989	10.4
93.07040	3.5
95.04969	5.5
95.08608	2.7
96.08126	10.4
97.02889	3.9
97.06497	3.1
97.08920	10.9
98.06056	3.5
98.97586	2.7
99.00810	72.1
107.04945	4.1
107.08616	2.3
108.08165	2.2
110.06027	2.2
111.04424	4.3
113.98705	2.0
114.09169	55.5
116.98566	2.6
117.01837	3.0
122.06037	3.6
124.07614	2.5
125.05973	2.8
126.05449	2.4
127.03896	4.3
134.99632	4.9
135.04393	4.8
146.99634	3.4
148.97366	3.0
151.03877	6.3
152.07060	3.9
153.07872	1.9
163.03929	3.6
166.04997	100.0
167.05302	2.5
170.08057	4.5
176.03413	3.1
184.09686	3.7
193.80853	2.1
194.04475	79.3
212.05486	4.4
212.07376	2.0
212.09181	24.0
212.12785	7.3
212.16321	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03940	7.9
54.03458	2.1
55.01871	11.9
55.05509	61.6
56.96547	6.4
57.03231	1.6
57.03440	18.6
57.07059	4.6
59.04998	3.4
65.03925	2.9
66.07427	1.7
67.05504	64.2
69.03429	16.3
69.07066	30.7
69.68845	7.7
69.69272	5.6
71.04993	11.7
71.08633	2.6
72.04497	2.1
73.02909	2.9
79.05489	54.2
81.03416	100.0
81.07052	80.8
83.04978	60.1
83.08139	3.1
83.08617	41.3
85.02914	4.5
85.06528	9.1
91.05478	52.8
92.05795	2.7
93.07041	36.1
95.04963	43.2
95.08604	61.0
97.02882	6.3
97.06528	13.9
97.10146	11.3
98.06081	3.5
99.04448	3.1
99.08090	5.2
103.05432	3.5
105.07028	43.1
107.04956	9.0
107.08588	32.0
109.02894	3.2
109.06529	19.4
109.10152	72.2
111.04444	3.9
111.08080	40.8
111.35683	2.0
113.06003	3.2
113.09712	2.2
114.09164	5.4
115.05441	2.8
117.07043	2.4
119.04977	2.2
119.08575	52.4
121.06519	4.8
121.10147	27.9
122.07184	1.9
123.04412	3.9
123.08057	33.9
123.11708	11.9
125.09624	7.5
127.11195	2.8
129.06993	12.3
131.08549	17.8
133.06465	3.5
133.10127	34.9
135.11671	28.9
137.09615	52.4
137.13240	5.5
138.10355	3.5
139.11154	4.3
139.74359	1.9
142.07765	4.5
145.10130	3.7
147.08035	4.0
147.11671	18.0
149.09602	10.2
149.13290	7.3
151.11179	6.4
151.14723	4.2
155.08574	6.5
157.10133	14.9
163.11099	2.9
165.06987	2.3
165.09016	2.9
165.12741	10.6
165.16512	2.7
167.07047	15.4
168.05696	4.1
169.10133	7.1
175.11191	14.1
175.14830	26.5
178.13567	2.1
181.10150	4.9
182.10832	2.7
183.08060	4.3
183.11627	2.6
193.08592	2.2
193.12222	23.7
193.15874	14.2
196.05258	2.7
196.08871	2.7
196.12520	3.8
205.98746	3.3
211.07523	6.6
211.11249	4.9
211.13264	6.8
211.14812	9.4
211.16913	6.1
212.09154	2.3
212.16510	5.1
217.07463	2.0
229.07407	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.02380	1.9
52.02900	1.8
53.03942	6.1
54.63342	2.1
55.01874	10.0
55.05513	38.1
56.96561	3.4
57.03430	10.4
57.07071	6.6
59.04997	4.6
65.03924	3.5
67.05173	3.7
67.05503	51.6
68.81954	2.1
69.03415	11.1
69.05798	1.8
69.07068	43.0
70.49175	2.9
70.49545	7.7
71.04996	24.7
71.32721	1.7
76.75900	1.7
78.30746	1.8
79.05492	32.7
81.03418	47.3
81.06582	3.8
81.07056	61.8
83.04982	30.5
83.08619	23.7
83.80570	1.7
85.06541	43.8
91.05489	32.4
93.07047	45.0
93.26801	2.0
95.04973	23.5
95.08604	83.5
97.02894	4.7
97.06529	8.5
97.10150	8.0
98.06022	2.2
99.04442	2.5
99.06914	1.8
99.08096	19.3
101.06033	2.7
105.07032	27.1
107.04957	3.0
107.08592	51.8
109.06525	11.3
109.10153	100.0
111.04447	3.1
111.08073	11.8
113.06000	5.2
113.09649	2.1
117.07016	3.3
119.04919	2.6
119.08585	36.2
121.06501	3.1
121.10129	18.8
123.04440	4.5
123.08080	10.2
123.11695	17.1
125.09640	6.9
127.11132	4.3
129.06995	7.2
131.08571	7.4
133.06430	2.0
133.10129	29.3
135.11691	92.9
137.06017	2.6
137.09590	11.6
139.11186	5.1
147.08060	2.1
147.11665	12.2
149.09602	3.3
149.13231	16.3
151.07658	2.6
151.11195	8.8
151.14835	9.1
152.04645	1.9
153.12749	38.2
155.08589	5.0
157.10126	7.1
163.97731	2.9
165.05475	2.7
165.06960	2.3
165.12703	4.7
165.16364	2.4
167.07056	17.0
167.08446	3.8
169.10109	4.0
175.11221	5.1
175.14819	23.6
181.10112	2.5
181.15883	2.4
183.08147	3.0
184.17120	2.1
193.08652	2.8
193.12263	10.8
193.15894	16.1
211.07597	5.8
211.11206	4.9
211.13091	3.4
211.14879	5.3
211.16959	24.3
212.16476	2.9
229.07480	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	3.6
53.42554	1.6
55.01878	9.3
55.05508	26.9
55.24174	1.6
56.32129	1.6
56.96561	2.8
57.03423	8.1
57.07060	5.4
59.04990	6.1
60.13824	1.7
65.03922	2.2
67.05500	47.8
69.03426	11.3
69.07066	36.7
69.47939	3.5
69.48347	12.0
71.04996	19.2
79.05065	2.2
79.05489	24.1
81.03413	28.9
81.07051	46.2
83.04979	21.1
83.08615	20.2
85.06541	36.8
91.05479	24.8
91.14011	1.8
93.06476	3.0
93.07043	44.2
95.04948	14.6
95.08603	72.6
96.08898	2.2
96.75783	1.7
97.02901	3.5
97.06527	6.9
97.10189	2.7
99.04453	1.9
99.08093	16.7
101.06060	2.1
104.79748	1.7
105.07017	23.5
107.04962	3.2
107.08590	49.4
108.08878	1.8
109.06540	9.8
109.10152	100.0
111.08073	7.2
113.05981	3.2
117.07014	2.5
119.08576	32.5
121.06537	2.8
121.10153	19.3
123.04404	5.3
123.08075	6.8
123.11716	15.1
125.09628	7.4
127.11149	3.3
129.07016	4.2
131.08572	5.7
133.06482	2.8
133.10133	26.4
135.11685	94.7
136.11983	2.6
137.05994	1.9
137.09622	12.5
137.13153	2.1
139.11168	4.3
142.07704	1.9
144.81157	1.7
147.11681	10.5
149.13255	15.2
151.07535	2.4
151.11188	7.0
151.14827	7.6
153.06953	2.6
153.12738	38.2
155.08563	3.7
157.10129	6.1
163.14798	2.6
165.12752	3.7
165.16347	2.9
167.07060	18.8
169.10138	6.1
175.11180	2.8
175.14836	29.3
181.10193	3.4
183.08107	2.2
183.11720	3.0
193.08675	2.5
193.12276	5.5
193.15886	13.1
196.12433	2.5
197.06030	2.6
205.98785	2.6
211.07663	3.4
211.11298	2.8
211.13092	2.7
211.14877	4.3
211.16937	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	4.1
53.32692	1.4
55.01862	5.1
55.05264	2.3
55.05505	27.4
56.96550	4.1
57.03437	6.9
57.07057	5.3
59.05000	2.0
65.03941	1.3
67.05504	45.8
69.03429	15.1
69.06721	2.3
69.07064	25.0
70.06596	1.8
71.04990	10.2
71.08620	1.2
71.57008	1.7
79.05489	21.6
81.03417	21.8
81.07053	45.9
83.04969	23.9
83.08620	15.6
85.02889	2.4
85.06542	8.9
86.49950	1.4
91.05471	17.3
93.07030	22.2
95.04950	14.5
95.08604	65.2
96.08975	1.4
97.02869	3.8
97.06518	7.1
97.10150	7.2
99.04435	3.2
99.08083	5.1
101.05965	1.5
103.05419	2.5
105.07021	21.4
107.04948	2.1
107.08587	31.3
109.02872	1.6
109.06509	16.1
109.10148	100.0
110.10431	1.5
111.04404	3.1
111.08070	7.5
113.06038	1.8
113.09621	2.1
115.05499	1.5
119.08570	29.4
121.06506	1.8
121.10127	16.7
123.04423	5.7
123.08054	15.3
123.11706	13.5
125.09625	7.9
127.07564	1.3
127.11197	1.8
127.30307	1.5
129.06976	3.6
131.08527	3.9
131.91435	1.5
133.06487	2.0
133.10123	27.1
134.99652	1.7
135.11682	61.9
136.11980	2.3
137.06001	2.1
137.09599	19.2
139.11180	3.4
141.07024	1.4
145.10167	1.4
147.08041	1.9
147.11656	7.4
149.09572	2.3
149.13239	5.3
151.03882	1.9
151.07605	2.1
151.11188	12.7
151.14789	9.9
153.12761	4.3
155.08530	5.2
157.10178	2.6
163.14783	1.3
163.97691	2.2
165.09145	1.2
165.16350	2.7
167.07033	33.6
168.05736	3.0
169.04961	2.4
169.10129	5.8
175.11208	2.4
175.14838	23.3
181.08571	1.6
181.10172	1.6
181.45166	1.4
182.10889	1.7
184.09615	1.6
193.08534	2.2
193.12231	7.3
193.15881	17.8
194.11823	3.3
196.08850	2.4
196.12537	2.3
205.98769	2.6
211.07578	4.4
211.11391	1.8
211.13068	2.1
211.14790	5.7
211.16895	9.4
221.88927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	3.8
55.01852	5.5
55.05508	34.1
57.03416	7.5
57.07071	9.4
62.01690	1.7
65.03938	2.0
67.05502	49.4
69.03407	5.6
69.07067	24.1
70.06591	4.0
70.82088	4.2
71.04996	16.5
74.06067	6.3
79.05064	2.6
79.05489	33.8
81.03406	14.5
81.05729	1.9
81.07053	86.8
83.04984	16.2
83.08626	16.3
85.02869	2.5
85.06549	22.5
91.05471	39.2
91.52268	1.6
93.07037	72.3
94.06541	1.6
95.04956	14.7
95.08603	100.0
96.08125	2.9
96.16010	1.9
97.02867	2.0
97.06509	7.3
97.10184	4.9
99.08098	8.5
105.07030	63.8
107.04926	2.3
107.08591	64.4
108.08099	4.6
108.08860	2.0
109.06491	8.0
109.09464	3.1
109.10153	47.8
111.08062	6.8
116.08177	9.9
117.06930	2.4
119.08571	64.6
121.06537	1.7
121.10127	28.5
123.08041	5.0
123.11690	13.7
124.07564	8.0
124.08361	2.0
125.09642	4.0
129.07001	2.6
131.08545	5.6
133.09113	3.0
133.10121	52.2
135.08086	2.2
135.11691	56.2
137.06068	2.0
137.09612	12.8
137.13371	1.7
141.08943	2.0
145.10059	2.0
147.11667	17.3
149.13274	9.0
151.03854	2.2
151.11154	6.4
152.07071	3.8
153.01834	3.8
157.10205	2.3
163.14792	24.0
163.97707	3.8
165.09032	2.2
165.12779	2.3
165.16327	4.0
167.07069	4.6
168.09291	1.7
175.11331	2.0
175.14816	48.1
181.15828	3.2
193.12190	5.0
193.15868	15.1
194.08261	2.2
211.07713	3.3
211.13281	2.9
211.15141	2.9
211.16943	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	6.7
55.01868	7.9
55.05507	50.8
56.96558	4.9
57.03432	13.3
57.07067	3.7
59.04992	1.9
64.30525	1.3
65.03938	2.9
67.05500	41.0
69.03427	13.9
69.07064	17.2
70.06585	2.1
70.22515	1.4
70.73557	4.0
71.04979	9.7
71.08643	1.8
79.05491	41.9
80.05003	1.4
81.03416	100.0
81.07054	54.6
81.07463	1.2
83.04979	56.8
83.08616	37.9
85.02900	2.6
85.06522	6.6
87.04456	1.2
91.04898	2.0
91.05476	41.5
92.05816	1.2
93.06471	2.3
93.07037	26.6
95.04964	40.8
95.08604	29.9
97.02888	5.4
97.06543	7.7
97.10188	8.1
98.06039	1.1
99.04431	2.4
99.08097	3.8
103.05455	2.2
105.07032	31.7
107.04935	7.7
107.08585	14.8
109.02882	1.9
109.06516	9.6
109.10149	30.0
111.04422	4.3
111.08079	17.7
113.06005	1.5
114.09154	1.5
115.05459	2.8
117.07047	2.5
119.01889	1.6
119.08575	30.6
121.06499	2.6
121.10152	13.6
123.04416	2.8
123.08054	12.8
123.11703	6.2
125.09617	5.8
128.06274	1.4
129.06989	13.1
131.08566	12.7
133.06471	2.8
133.10129	18.5
134.99654	1.1
135.11682	13.1
137.06000	1.6
137.09608	21.2
137.13232	1.7
137.39017	1.1
139.11189	1.7
141.06984	2.3
142.07785	3.3
145.10098	1.5
147.08046	4.1
147.11678	17.3
149.09616	8.2
149.13214	3.6
151.03954	1.4
151.07529	1.9
151.11209	3.8
151.14798	2.1
152.04720	1.3
153.07008	1.2
155.08585	5.2
157.10146	14.8
163.97733	1.3
165.06903	1.6
165.09099	2.1
165.12721	6.1
167.07040	11.8
167.08437	2.0
168.05772	2.1
168.09248	1.6
169.10146	5.3
175.11195	15.6
175.14819	8.4
181.10110	2.7
183.11699	1.8
186.15425	1.2
193.10602	1.0
193.12225	27.2
193.15895	5.3
196.05307	1.3
196.12421	2.9
205.98795	1.6
211.05801	1.6
211.07619	3.7
211.11136	3.2
211.13269	8.7
211.15154	6.3
211.16754	2.5
219.58945	1.3
229.07463	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03936	6.5
55.01865	9.9
55.05503	36.4
55.93512	7.0
56.96561	16.4
57.03426	8.4
57.07069	8.7
65.82897	4.4
67.05502	69.0
69.03400	12.0
69.07059	19.0
69.92525	8.0
69.92938	17.2
71.04980	15.4
79.05487	52.3
81.03421	24.1
81.07050	73.8
83.04984	32.9
83.08607	14.8
85.02892	7.5
85.06533	8.6
87.04460	10.7
91.05475	68.9
93.07047	46.8
93.26599	4.2
94.76620	5.4
95.04964	100.0
95.08599	33.3
97.02888	5.9
97.06516	12.2
97.10148	4.6
99.04417	5.0
104.17824	4.9
105.07011	53.1
107.04916	8.5
107.08587	32.6
109.06519	26.4
109.10132	13.2
111.04436	12.4
113.06008	4.6
117.07033	9.8
119.08608	29.2
121.10122	15.3
123.08060	7.4
123.11668	6.0
127.07592	5.4
127.20851	4.8
129.06987	24.5
131.08580	13.2
133.06525	6.8
133.10130	33.5
135.08038	20.1
135.11652	10.6
137.09564	7.5
141.07024	10.7
141.99803	4.7
143.04909	5.0
147.11671	23.3
149.01149	4.7
149.09633	12.9
151.11177	22.8
155.08556	15.8
157.10117	9.0
163.97714	10.7
165.12749	13.8
167.08501	4.6
169.10114	15.0
171.80238	5.0
175.11214	16.6
181.10149	5.2
183.11714	8.1
188.01184	6.7
193.12238	18.9
196.12480	11.6
205.98764	13.7
211.07558	6.5
211.13094	11.3
211.14847	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03930	6.6
53.43297	2.4
55.01864	12.3
55.05266	3.8
55.05505	48.4
56.96553	14.7
57.03419	11.7
57.07071	7.2
58.75553	2.3
65.03933	3.0
67.05499	64.7
69.03425	14.8
69.07066	26.7
70.06582	4.8
71.04991	57.8
71.57590	4.9
79.05485	49.7
81.03412	69.1
81.07052	98.6
83.04972	55.9
83.08624	25.7
84.08106	2.9
85.02888	4.9
85.06539	25.2
87.04457	5.2
91.05475	86.3
93.07035	37.4
95.04960	67.9
95.08612	32.6
97.02850	6.7
97.06510	11.7
97.10169	4.7
99.04472	4.4
99.08067	8.8
103.05449	3.0
105.07024	50.2
107.04936	11.3
107.08572	24.1
109.02894	3.8
109.06517	21.6
109.10146	16.2
111.04427	3.6
111.08080	8.1
113.03452	5.0
115.07560	6.0
117.01272	2.5
117.07020	6.8
119.08570	41.8
121.06462	4.4
121.10120	14.6
123.04408	5.4
123.08029	9.6
123.11649	6.0
125.06009	3.8
125.09609	10.1
127.07556	5.7
129.06963	11.6
131.08540	19.0
133.06462	9.4
133.10132	100.0
135.08009	3.1
135.11667	12.0
137.05936	8.3
137.09586	9.5
137.19112	2.7
141.09117	3.8
142.07751	4.4
147.08028	12.3
147.11681	37.7
149.09622	18.7
151.03886	6.8
151.07504	7.4
151.11168	96.9
153.09163	3.1
155.07091	3.2
155.08522	4.2
157.01759	4.6
157.10085	16.8
165.05493	2.9
165.12744	14.2
167.06985	7.4
167.08405	3.2
169.10013	3.7
175.11171	34.9
175.14790	6.3
181.10065	3.3
185.04733	4.3
193.04930	3.9
193.12238	53.0
193.15916	3.8
203.05911	6.3
211.05969	4.6
211.09244	3.3
211.13219	23.4
211.14699	2.6
211.16890	4.0
229.03734	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	6.6
55.01871	8.0
55.05509	45.0
56.96566	2.7
57.03436	12.5
57.07069	2.6
59.04994	2.0
63.10320	0.9
65.03935	2.5
67.05502	33.2
69.03432	10.2
69.07064	16.5
69.38699	10.7
71.04988	6.4
71.22838	1.0
79.05486	35.8
80.79091	1.0
81.03416	100.0
81.07050	47.0
83.04977	51.8
83.08613	31.6
84.49747	1.0
85.02889	1.4
85.06528	3.8
91.05476	40.5
93.07034	19.7
95.04963	34.8
95.08595	16.1
97.02878	2.7
97.06516	6.5
97.10154	7.1
99.04514	1.4
99.08099	2.2
103.05476	1.7
105.07030	25.6
107.04958	8.3
107.08597	11.0
109.02882	1.2
109.06535	6.8
109.10148	5.6
111.04424	2.0
111.08070	9.6
115.05425	2.0
117.06987	1.7
118.53953	1.1
119.08575	21.6
121.06532	2.8
121.10130	7.5
123.08056	4.2
123.11690	2.6
124.71548	1.0
125.05975	1.6
125.09624	3.4
129.06989	12.8
131.08540	11.3
133.06511	3.4
133.10129	10.0
135.11664	1.6
137.05965	1.6
137.09587	2.6
141.06866	1.6
142.07777	3.0
143.08527	1.4
145.10132	1.9
147.08067	3.2
147.11679	15.7
149.09598	7.5
151.11223	1.6
153.07056	1.6
154.07776	1.6
155.08537	3.6
157.10123	14.2
165.09218	1.4
165.12750	3.1
167.07074	7.4
167.08495	2.2
169.10129	7.7
175.11198	12.8
181.10089	7.9
182.10916	1.9
183.11697	3.8
193.12231	24.0
196.08765	1.4
196.12497	7.3
205.77414	1.0
205.98723	1.5
211.11108	2.7
211.13242	8.0
211.14981	13.0
229.07367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03930	6.8
55.01864	15.7
55.05273	4.0
55.05512	54.9
56.96548	9.0
57.03437	14.5
57.07052	4.3
59.04998	3.1
61.32129	2.1
63.07179	2.4
65.03934	4.5
67.05500	63.3
69.03420	18.9
69.07064	31.7
69.48614	22.8
70.06586	4.0
71.04989	49.7
71.08604	2.7
76.13505	2.7
78.83031	2.3
79.05064	4.3
79.05490	63.3
81.03413	92.8
81.07053	100.0
83.04981	63.7
83.08614	29.8
85.02895	5.9
85.06548	22.4
87.04453	4.8
91.05480	84.9
93.07037	51.8
95.04959	64.0
95.08601	45.7
95.13676	2.5
97.02876	7.6
97.06534	13.5
97.10139	5.2
99.04457	3.5
99.08092	7.8
103.05431	4.7
105.07024	65.3
106.06538	2.5
107.04937	11.7
107.08583	35.0
109.02870	3.6
109.06512	30.9
109.10149	28.0
110.65695	3.0
111.04436	6.2
111.08094	13.1
113.05993	3.9
117.07008	3.2
119.08575	42.0
121.06504	5.1
121.10133	17.8
123.04404	7.6
123.08089	7.7
123.11680	9.8
125.05973	7.3
125.09616	15.5
127.07497	4.0
129.07060	13.4
131.08565	18.8
133.06464	8.7
133.10127	98.0
134.99638	4.2
135.07997	4.3
135.11688	21.2
137.05974	7.6
137.09593	10.6
142.07750	6.0
145.10103	4.1
146.99603	3.2
147.08015	13.9
147.09058	2.5
147.11656	40.6
149.05994	4.8
149.09624	12.6
151.07520	9.6
151.11163	79.4
152.07129	3.2
154.54791	2.5
155.07062	4.7
157.10106	15.6
163.14827	12.9
163.97711	3.0
165.09108	5.3
165.12726	10.6
167.06989	5.1
169.10091	4.4
175.11188	33.6
175.14813	7.4
181.98425	2.5
185.04823	3.2
193.04926	5.3
193.08601	3.6
193.12230	51.1
193.15927	4.6
203.05832	6.2
205.98845	4.5
211.07567	5.3
211.11447	4.1
211.13246	24.7
211.15042	5.2
211.16933	5.3
215.97990	2.5
219.02061	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03956	3.4
55.01862	10.5
55.05510	31.1
56.96569	17.4
57.03434	10.6
57.07069	7.2
65.03936	4.4
67.05501	72.4
69.03417	10.1
69.07069	23.1
70.06580	2.9
71.04983	16.1
71.31754	4.3
72.24903	3.0
79.05490	61.8
80.05824	3.9
81.03405	30.0
81.07052	82.1
83.04975	37.2
83.08615	23.3
85.02886	4.9
85.06543	6.7
87.04430	4.9
91.05478	77.2
91.06017	6.4
93.07046	39.4
95.04960	100.0
95.08601	38.0
97.02895	4.5
97.06514	22.9
97.10136	3.0
99.04446	5.3
105.07020	60.1
107.04961	18.2
107.08590	33.8
109.06493	27.6
109.10130	15.7
111.04430	9.8
113.05983	6.2
117.06999	9.3
118.22899	3.5
119.08566	28.8
121.10142	14.4
123.04429	3.0
123.08088	8.2
123.11698	9.4
125.09629	5.9
129.07018	23.7
131.08556	15.8
133.06511	6.4
133.10123	37.1
135.08044	26.3
135.11703	12.3
137.09619	5.7
139.07552	3.1
141.06984	4.3
142.07762	5.6
143.44518	2.8
145.10132	5.1
147.08032	3.9
147.11671	25.8
149.09637	7.3
151.07561	4.4
151.11153	23.8
153.07100	4.0
155.08553	11.0
157.10101	15.3
163.97740	6.8
165.12788	11.1
169.10120	10.1
169.12271	3.1
175.11151	20.9
175.14857	3.2
181.10086	9.8
181.98746	4.2
183.11757	5.8
193.12198	23.6
196.12462	9.3
205.98795	6.9
211.07816	3.5
211.11258	6.3
211.13226	11.5
211.14999	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02343	0.9
53.03941	4.7
55.01866	7.1
55.05510	44.7
56.96571	1.2
57.03434	13.2
57.07084	0.9
59.04986	1.6
65.03939	1.9
65.74798	0.8
67.05505	33.7
69.03425	9.5
69.07063	10.8
69.93251	4.3
71.04989	6.0
79.05492	35.3
81.03416	100.0
81.07051	45.9
81.07448	0.6
83.04980	50.9
83.08616	29.9
85.02886	2.0
85.06546	2.9
91.05478	38.5
93.07038	20.5
95.04966	35.5
95.08605	18.6
97.02882	3.4
97.06523	6.9
97.10163	7.5
99.04433	1.0
99.08083	1.7
101.06024	1.0
101.34446	0.8
105.07025	25.0
107.04964	8.4
107.08582	8.4
107.40893	0.8
107.58669	0.8
109.06507	7.6
109.10139	4.0
111.04452	2.6
111.08073	9.1
113.06010	0.8
115.05404	1.5
117.07034	2.1
119.04949	1.2
119.08580	21.6
119.18746	0.7
121.06493	2.5
121.10138	9.9
123.08048	4.2
123.11695	2.7
125.06004	1.1
125.09607	1.9
127.07552	0.8
128.06181	0.9
129.07004	12.9
131.08568	13.2
132.36685	1.0
133.06497	4.7
133.10143	10.3
135.11668	1.1
137.09596	1.6
137.13235	2.2
142.07758	3.1
147.08084	3.9
147.11694	14.2
149.09653	6.0
151.07501	0.9
155.08688	1.1
155.51776	0.8
157.10138	12.1
165.12733	3.4
168.23921	0.8
169.10144	0.8
169.17719	0.8
175.11192	12.7
181.10066	0.7
193.12238	28.5
196.12541	0.8
197.04689	1.1
211.13223	11.7
211.14928	2.0
211.33989	0.9
231.44604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01869	10.6
55.05505	26.3
56.96563	5.3
57.03422	8.0
57.07059	4.0
57.58758	1.9
65.03941	3.2
67.05500	48.9
69.03420	9.3
69.07058	24.3
71.04992	9.5
71.57780	3.3
72.85967	2.5
79.05489	42.4
81.03403	24.2
81.07048	100.0
83.04976	20.0
83.08607	14.0
85.06531	7.9
89.72211	2.1
91.05472	70.5
92.05782	2.8
93.07034	26.8
95.04958	17.9
95.08603	25.2
97.02895	4.6
97.06526	19.7
97.10125	3.2
98.06058	2.3
98.98430	2.5
99.08078	5.1
105.06304	3.3
105.07019	60.5
107.04966	5.3
107.08573	15.7
109.06519	16.9
109.10158	8.4
111.04482	2.6
111.08044	4.4
113.06023	3.0
115.05426	3.3
119.08569	49.3
121.06491	2.5
121.10128	26.7
123.04414	3.5
123.08099	4.1
123.11685	21.5
125.06030	2.6
128.06200	2.6
129.07007	19.0
131.08577	15.8
133.06499	4.6
133.10112	39.7
137.05931	3.0
137.09619	4.2
137.13289	3.3
142.07735	3.2
147.08067	2.3
147.11678	81.3
149.09602	6.1
151.07558	4.4
151.11211	4.5
154.07642	2.2
155.07089	2.3
155.08501	7.8
157.10098	23.9
165.05312	2.2
165.12762	19.5
167.07080	5.5
167.08521	2.5
169.10086	9.9
175.11163	28.6
181.10080	3.8
183.11662	3.0
193.12248	18.0
196.12453	3.2
205.98633	2.1
211.13242	9.7
211.14865	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	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03945	5.1
55.01871	6.3
55.05508	48.7
56.96551	1.3
57.03430	7.8
57.07077	1.6
57.51058	0.8
59.04986	1.6
61.98697	0.9
65.03936	2.7
67.05501	34.2
69.03439	8.9
69.07069	11.2
69.84325	5.8
69.84628	1.2
71.04995	4.6
77.03886	1.1
79.05489	32.2
81.03414	100.0
81.07053	40.6
82.03727	1.1
83.04975	52.4
83.08614	29.4
83.09113	1.3
85.02879	1.5
85.06548	3.2
91.05477	38.3
93.07040	17.0
95.04959	34.0
95.08604	15.2
97.02892	3.8
97.06513	4.9
97.10172	6.8
99.04424	1.0
99.08096	1.2
105.07024	27.0
107.04945	7.7
107.08596	8.9
109.06490	5.9
109.10162	4.1
111.04445	2.4
111.08076	9.5
115.05445	2.5
117.06983	1.6
119.08569	21.1
120.28932	1.0
121.06503	1.7
121.10137	8.1
123.08031	4.5
123.11676	1.5
125.09602	1.2
128.06273	1.1
129.06995	13.9
131.08568	11.5
133.06503	4.0
133.10118	9.6
137.09621	2.4
137.13188	1.1
142.07771	3.2
145.10143	1.7
147.08034	3.6
147.11670	14.6
149.09615	6.3
151.11147	1.2
157.10132	15.0
163.97704	0.9
165.12833	1.8
169.10114	1.6
175.11174	13.2
175.12555	1.6
193.12221	25.9
211.13148	9.4
211.14912	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01864	0.4
58.39845	0.2
72.04511	0.4
73.02921	1.5
77.03889	0.2
90.05523	0.3
91.05479	4.7
93.07037	8.5
95.04958	1.9
103.05471	5.6
105.04521	0.3
118.69762	0.2
121.06499	100.0
122.06849	1.5
138.09132	8.9
138.10226	0.3
139.09608	0.2
157.20699	0.2
168.06511	0.2
192.10225	0.5
210.11246	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	210.1124
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
51.02349	0.2
53.03931	0.7
54.75220	0.2
55.01872	0.4
69.75023	0.8
69.75436	0.4
72.04506	0.6
73.02919	1.7
77.03922	0.4
81.03393	0.2
90.05568	0.4
91.05476	3.6
93.07043	8.3
95.04974	1.6
98.98598	0.2
103.05467	4.8
105.04527	0.3
107.10495	0.2
121.06501	100.0
122.06839	1.7
130.82883	0.2
134.05135	0.2
138.09142	9.2
192.10210	0.8
195.04089	0.2
210.11250	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	211.0965
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03947	7.7
55.01628	1.9
55.01871	28.1
55.05509	20.5
56.96550	2.8
57.03418	4.3
57.07066	1.6
65.03941	7.6
67.05502	51.4
69.03426	36.6
69.07073	9.0
69.44897	1.1
69.71436	8.5
69.71841	3.1
70.06603	2.0
71.01351	10.0
71.04972	5.9
77.03883	2.1
79.05483	18.5
81.02989	1.7
81.03414	19.9
81.07050	24.8
83.01339	9.6
83.04967	13.2
83.08635	8.0
85.02888	3.6
85.06526	3.7
87.04460	1.9
91.05476	25.6
93.03384	4.2
93.07042	18.2
95.04964	73.4
95.08602	22.7
97.02870	4.8
97.06515	2.9
97.10172	1.3
99.04449	4.0
101.02349	3.1
103.05428	3.1
105.03374	4.2
105.04500	3.2
105.07026	13.1
107.04943	5.1
107.08594	7.6
109.02882	6.5
109.06514	7.3
109.10136	9.5
111.04417	5.8
111.08105	3.8
113.02351	6.2
115.05455	1.5
117.01852	3.1
117.06986	3.8
119.04925	2.2
119.08569	17.0
121.06490	9.4
121.10138	3.5
123.04423	59.4
123.05331	3.1
123.08056	10.0
123.11687	4.1
125.02330	13.9
125.09631	2.4
127.03905	3.2
127.11182	2.2
128.06210	1.4
129.06989	10.8
131.08571	3.1
133.02838	8.1
133.10089	4.9
135.08032	2.5
135.11690	5.1
137.05957	3.0
137.09625	4.4
138.03096	1.8
139.03891	9.3
141.06984	2.7
143.03386	7.7
147.08040	11.1
147.11656	3.2
149.05978	2.5
151.03897	100.0
151.07503	3.5
151.11192	3.6
154.07712	1.5
155.03383	3.5
155.08546	4.7
157.10103	1.8
163.97725	3.0
164.04704	1.6
165.09155	6.5
165.12804	1.5
167.07028	14.8
167.08414	3.2
168.09344	1.6
169.03525	2.9
169.04961	50.8
169.10091	8.8
175.07570	2.5
175.11243	2.2
175.14754	1.7
181.10088	2.8
183.11635	2.9
193.08583	33.0
193.12198	2.5
196.12463	4.4
203.59888	1.5
205.98766	2.7
211.07623	5.7
211.09631	76.8
211.14803	11.3
211.16718	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.74795	0.4
53.03933	0.8
53.04207	0.4
53.46384	0.4
55.01864	2.7
55.05508	2.0
57.03405	0.5
57.07073	4.4
59.04991	0.9
61.58627	0.3
65.03912	0.6
67.05496	4.4
69.03410	1.1
69.07053	2.6
70.08078	2.0
71.04990	2.0
75.04465	0.6
78.04692	0.4
79.05489	4.7
81.03399	0.5
81.07053	5.4
83.04965	1.7
83.08600	1.3
85.02883	0.7
85.06526	0.7
90.23698	0.4
91.05476	5.4
93.03398	1.2
93.07046	4.2
95.04972	4.4
95.08585	4.5
97.06524	1.4
103.05442	1.5
105.07029	3.6
106.04156	3.9
107.04982	0.9
107.08582	4.8
109.06506	100.0
109.10149	6.0
110.06862	0.7
111.08097	1.2
113.09660	0.4
117.07032	1.1
119.04902	0.7
119.08601	1.0
121.06495	5.3
121.10124	2.7
123.08057	8.4
123.11685	0.6
124.05252	0.4
125.05959	0.8
125.09628	1.0
131.04900	0.7
131.08568	4.1
133.10126	2.5
134.03601	0.9
135.04437	1.0
135.08049	17.3
135.11658	0.8
137.06017	0.8
139.07530	0.5
139.11198	1.0
143.08496	0.5
145.02855	0.7
145.10123	1.2
147.04463	0.6
147.11623	0.7
148.05125	0.5
148.08786	0.6
149.05965	4.4
149.09586	3.3
149.13237	1.3
150.10387	1.1
151.11180	4.2
153.05482	0.6
153.09088	4.2
158.10910	0.7
161.09743	0.4
163.07567	0.7
163.11179	0.9
163.14857	0.7
167.06970	0.4
173.13240	3.9
173.40498	0.5
176.11996	0.5
177.05463	2.6
179.08548	0.7
181.08597	0.9
191.06969	1.2
191.10675	0.6
191.14290	14.8
191.47314	0.4
194.11110	0.5
209.04416	0.8
209.08054	1.5
209.09900	0.5
209.11700	0.6
209.13460	0.6
209.15317	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.32593	0.4
53.03930	0.9
55.01867	1.6
55.05510	5.3
55.94444	0.4
57.03431	1.2
57.07074	1.2
59.04985	0.5
67.05498	5.7
69.03426	100.0
69.07063	3.7
69.83259	2.5
71.04990	1.7
77.14487	0.4
79.05488	7.2
81.03414	3.8
81.07053	22.5
83.04978	2.0
83.08601	2.8
85.02908	1.1
85.06549	2.0
91.05476	4.3
93.07039	11.0
95.04976	1.8
95.08598	5.3
97.06532	1.8
98.56235	0.5
99.04460	1.8
103.05479	0.6
105.07018	4.6
107.04927	0.8
107.08587	12.7
109.06512	23.0
109.10157	1.5
111.08070	0.6
117.07018	1.4
119.08576	2.8
121.06497	1.5
121.10137	9.4
121.89415	0.4
123.08061	2.0
123.11691	12.0
125.09633	1.3
127.07542	1.6
131.08540	3.3
131.17482	0.5
133.10132	2.6
135.08043	4.8
135.11652	2.8
137.09563	0.6
138.06755	0.5
143.08615	0.6
145.10126	1.2
147.11673	1.4
149.09610	2.9
149.13252	3.1
151.11195	1.5
153.09074	2.7
156.96974	0.5
158.10960	0.8
161.13242	0.9
163.14835	2.9
165.12820	0.5
173.13264	2.5
191.14301	17.4
209.15344	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01871	1.8
55.05506	6.3
57.03442	1.1
57.07068	1.8
67.05505	7.1
69.03428	100.0
69.07071	4.5
69.64339	3.5
71.05003	1.9
79.05492	9.1
81.03407	3.6
81.07056	26.9
83.04989	3.5
83.08631	2.1
85.02898	1.4
85.06537	2.5
91.05475	5.3
92.40679	0.5
93.07039	10.0
95.04972	2.4
95.08611	5.6
97.06535	2.3
99.04453	1.9
105.07021	5.4
107.04953	1.0
107.08589	11.8
109.06512	21.8
109.10164	2.5
111.08076	1.3
116.20910	0.6
117.07029	0.9
119.08585	3.3
121.05820	0.5
121.06534	4.1
121.10146	11.0
123.08068	2.1
123.11705	11.4
125.09633	1.0
127.07518	2.6
131.08549	3.3
131.62924	0.6
133.10118	3.9
135.08046	5.5
135.11685	2.4
137.09564	1.1
145.10110	2.1
147.11688	1.5
149.09625	3.0
149.13275	3.1
151.11153	2.8
153.09103	3.0
161.13208	0.9
163.14812	2.4
173.13300	3.0
177.05424	1.0
191.14301	18.0
209.07906	0.8
209.15364	33.3
210.15787	0.7
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
53.03947	8.8
55.01631	1.5
55.01871	25.1
55.05506	12.7
56.96547	2.6
57.03419	4.0
57.07066	11.9
59.04961	1.4
65.03936	15.7
65.92160	1.4
67.05503	19.3
68.99767	2.2
69.03423	22.8
69.07066	13.3
71.04960	5.2
71.57301	1.5
72.56731	1.3
75.04482	10.0
77.03899	2.0
78.04701	13.6
79.05059	2.3
79.05489	22.9
81.03381	4.5
81.07050	23.8
83.04974	21.0
83.08592	5.4
85.02905	11.4
85.06534	8.5
89.03925	9.0
89.05997	3.6
91.05473	65.0
91.77045	1.3
92.06281	2.3
93.03396	29.4
93.06481	2.3
93.07040	38.8
94.06547	1.9
95.04964	39.0
95.08593	16.8
97.06531	18.5
97.10168	1.8
99.08069	2.2
103.05457	23.6
103.06069	3.0
105.03399	3.4
105.04492	2.4
105.07016	16.9
106.04168	78.7
107.04978	9.9
107.08589	34.3
109.06510	24.5
109.10146	8.9
110.07261	1.6
111.04405	5.7
111.08073	9.9
117.03389	6.8
117.06979	5.4
118.04160	2.8
119.04961	7.4
119.08556	9.7
120.05676	3.8
121.06496	96.0
121.09333	1.8
121.10133	18.1
122.06798	1.7
122.07201	1.6
123.04382	4.2
123.08112	8.7
123.11665	6.9
124.05174	4.3
125.05999	21.0
125.09616	52.1
131.04945	13.1
131.08505	8.3
133.02817	3.6
133.06505	2.7
133.10147	8.9
134.03610	15.9
135.04413	7.3
135.08032	20.1
135.11659	13.1
137.05963	12.0
137.09566	2.0
138.03102	3.0
138.06718	5.7
139.07498	6.5
143.08485	3.0
145.02850	9.1
145.10112	11.4
147.04379	5.0
147.11737	8.1
148.05173	12.8
149.02332	3.1
149.05969	98.0
149.09607	19.0
149.13245	14.8
150.06371	2.4
150.10373	2.0
151.03928	1.4
151.07581	2.6
151.11177	7.4
153.05466	9.1
153.06593	1.8
153.09087	26.9
158.10863	3.5
161.09636	2.1
163.03911	3.6
163.07520	7.5
163.11127	10.2
163.14792	5.9
165.05464	2.4
165.06865	1.8
165.12744	22.6
166.06190	4.4
166.07658	3.0
167.07069	2.6
167.14220	2.3
173.13261	21.2
176.04602	1.8
176.11914	3.4
177.05467	45.5
179.08519	3.4
180.07886	1.9
181.08618	19.3
181.10054	2.4
191.07062	11.0
191.08638	2.0
191.10634	2.9
191.14297	100.0
194.02086	3.2
194.05693	4.9
194.10931	2.5
209.04399	6.6
209.08025	25.2
209.09702	2.8
209.11481	3.4
209.13544	3.1
209.15332	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.57755	0.4
53.03947	2.6
55.01866	7.4
55.05507	28.9
56.23895	0.4
57.03434	1.0
57.07075	4.1
59.04994	0.8
60.95863	0.4
65.03928	0.8
67.05500	17.0
69.03416	1.4
69.07067	5.0
70.98608	0.5
71.04987	1.1
71.58809	0.6
77.04753	0.5
79.05489	15.4
81.03421	0.8
81.07050	22.1
83.04974	100.0
83.08617	4.4
84.05305	0.7
85.02894	0.6
85.06543	2.4
91.05471	8.1
93.07037	25.4
94.07375	0.6
95.04955	4.3
95.08598	20.5
97.06518	2.2
97.10154	2.1
99.08104	0.9
103.05463	1.3
105.04488	0.5
105.07016	4.2
107.04958	0.7
107.08580	18.1
109.06507	3.5
109.10148	5.6
111.04428	0.9
111.08064	7.4
117.06998	1.2
119.08582	2.2
121.06487	2.8
121.10130	9.9
123.08060	1.0
123.11684	1.4
124.69859	0.5
125.05962	1.2
125.09647	1.7
131.04921	0.7
131.08562	4.3
133.10133	2.1
134.02448	0.5
135.04384	0.6
135.08057	4.3
135.11713	2.1
137.09615	1.1
139.07536	1.0
145.10071	1.5
147.11696	2.1
149.02374	0.7
149.06013	1.1
149.09622	3.7
149.13246	9.7
151.11230	1.3
153.05470	1.2
153.09125	1.2
163.03914	0.5
163.11238	0.9
163.14792	5.6
165.06973	0.5
165.12776	1.0
166.07805	0.7
167.14343	0.8
173.13213	3.2
177.05472	1.4
179.08589	1.7
181.06544	0.6
181.10156	0.8
181.12207	0.8
181.15909	1.2
191.07043	0.8
191.10658	0.7
191.14281	4.8
194.01961	0.8
194.11060	0.8
209.04268	2.2
209.06178	0.8
209.07913	1.0
209.09659	2.0
209.11722	2.2
209.13298	1.7
209.15309	12.9
210.15753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	2.6
55.01862	4.5
55.05508	17.5
57.03434	13.2
57.07072	7.4
58.93491	1.6
59.04989	2.8
65.03941	3.1
67.05502	9.9
69.03413	6.2
69.07062	12.1
70.54012	3.4
70.54380	3.4
71.04985	12.8
79.05498	15.1
81.07056	21.6
83.01334	16.3
83.04972	16.6
83.08622	9.1
85.06529	3.9
91.05476	14.3
93.03405	1.7
93.07043	17.1
95.04967	87.7
95.08604	12.0
97.06532	25.8
97.10148	1.8
98.20822	1.6
99.04447	17.8
99.08078	10.4
102.09093	1.8
103.05449	3.4
105.07030	13.5
106.04158	4.7
107.08585	26.8
109.06516	100.0
109.10159	19.8
110.06810	1.6
111.04429	1.7
111.08080	20.7
117.07006	2.9
119.08577	7.1
121.06484	8.4
121.10123	19.8
123.08070	16.6
123.11698	3.0
125.05972	2.8
125.09636	16.1
131.08575	9.5
133.10117	22.3
135.08055	19.7
135.11707	4.7
137.05913	1.5
137.09601	5.3
139.07513	11.4
139.11151	5.6
143.08592	2.6
145.10066	7.5
147.11612	2.7
149.05936	7.9
149.09598	11.9
149.12181	1.7
149.13242	8.5
151.11182	8.2
153.09096	66.9
158.10921	2.8
163.11133	2.4
163.14830	6.4
165.12735	2.0
167.10675	2.0
167.14282	5.2
173.13274	15.4
173.46735	1.4
177.05508	3.1
181.15845	3.8
191.14302	53.8
194.02058	1.7
209.04449	3.4
209.08234	3.5
209.15366	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	5.9
55.01667	1.6
55.01874	17.1
55.05508	19.6
57.03427	12.3
57.07059	8.3
59.04991	4.3
65.03935	8.7
67.05167	3.2
67.05499	35.6
69.03426	13.4
69.07066	21.0
71.04986	24.6
71.56887	2.3
75.04462	4.8
77.03922	2.1
78.04692	3.0
79.05486	53.1
81.03401	3.8
81.07048	37.1
82.06567	1.9
83.01334	2.9
83.04974	25.5
83.08593	9.6
85.02894	3.6
85.06538	12.1
87.04433	2.1
91.04904	2.5
91.05474	48.6
93.03398	9.1
93.07037	65.4
94.06537	2.5
95.04960	100.0
95.08596	21.1
97.06511	27.9
99.04459	16.7
99.08076	5.4
103.05457	10.6
103.06071	2.0
105.04525	1.8
105.06311	2.1
105.07019	37.3
106.04163	25.6
107.04949	29.9
107.08588	74.2
108.08884	2.0
109.06506	95.7
109.10149	17.4
111.04427	8.8
111.08080	15.7
111.12800	1.7
115.05452	2.7
117.03437	2.9
117.06978	9.3
119.04935	3.1
119.08575	25.0
121.05654	3.5
121.06490	52.5
121.10134	46.0
123.04427	6.4
123.08047	19.6
123.11681	5.3
125.05999	14.4
125.09622	18.2
129.06999	8.1
129.08118	1.5
131.04936	4.1
131.08562	68.7
133.06480	2.6
133.10147	24.3
134.03673	3.9
135.04364	4.3
135.08055	21.1
135.11674	12.1
137.05966	4.9
137.09589	4.1
138.06805	2.6
139.07527	5.6
139.11169	4.2
143.08522	3.7
145.02824	3.5
145.10135	30.7
146.64534	2.0
147.04366	2.6
147.08025	6.7
147.11702	9.5
148.05173	5.0
149.05995	30.0
149.09605	77.9
149.13248	14.9
150.09982	2.3
151.07549	4.3
151.11174	20.1
152.04630	2.2
153.05486	9.2
153.09099	48.4
158.10835	3.6
161.09593	2.6
163.07535	8.0
163.11169	23.3
163.14827	9.6
165.09109	7.4
165.12738	6.2
166.06316	2.2
167.07039	10.6
167.10634	7.6
167.14317	6.6
173.09599	6.3
173.13216	17.6
177.05446	15.8
181.05029	2.0
181.08623	4.2
181.12274	2.4
191.06906	4.3
191.10658	28.7
191.14291	52.8
194.02074	2.2
194.05797	2.3
209.04437	6.2
209.07935	9.8
209.09787	4.1
209.11659	25.2
209.15353	60.0
209.17307	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	209.1171
Annotation	2-Methoxy-6-prenylhydroquinone
Peak:m/z	Relative Intensity
53.03930	2.3
55.01878	4.4
55.05501	4.2
56.96547	1.2
57.03423	1.0
57.07072	16.5
62.60508	0.7
65.03931	9.1
67.05498	6.1
69.03416	2.3
69.07059	4.5
69.98499	4.0
71.04974	1.3
71.08615	2.7
75.04473	1.1
79.05483	7.2
81.03400	1.1
81.07040	6.7
83.04976	5.2
83.08584	1.1
85.02912	0.7
85.06516	2.5
88.64678	0.7
89.03889	0.8
91.05476	7.7
93.03400	7.8
93.07043	7.8
95.04961	6.3
95.08595	4.9
97.06500	2.6
99.04430	1.2
99.08076	2.2
103.05444	2.9
105.07011	2.8
106.04166	4.6
107.04925	5.1
107.08589	6.6
109.06509	5.6
109.10123	2.2
111.04433	2.8
111.08069	1.5
113.02347	1.3
117.03373	1.1
117.06979	1.3
119.04892	0.9
119.08556	1.7
121.02859	15.4
121.06476	7.0
121.10145	4.1
123.04401	1.6
123.08049	1.7
125.05973	2.3
125.09614	1.4
127.03845	0.9
131.04974	1.6
131.08533	1.6
133.10120	1.4
134.03615	1.0
135.04405	52.4
135.07959	1.9
135.11681	2.1
136.04701	0.9
137.05995	1.3
139.03891	52.8
141.05435	0.8
145.02824	1.5
145.10103	2.6
147.04300	1.3
147.11629	0.8
149.05957	7.5
149.09573	3.7
149.13269	1.7
151.07497	1.2
151.11133	1.6
153.05455	67.2
153.09039	2.1
163.03886	1.5
163.07530	1.0
163.11156	2.5
165.06964	1.5
166.07785	1.5
167.07083	1.3
167.08438	0.9
173.13261	1.4
177.05458	4.4
179.08508	2.1
181.08522	1.3
181.10048	1.0
191.07010	1.3
191.10652	3.0
191.14308	2.1
194.10860	1.3
194.12871	0.7
209.04402	3.8
209.11700	100.0
209.15311	9.9
210.11996	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03935	3.3
55.01863	6.2
55.05512	8.1
57.03424	6.1
57.07083	1.6
59.05004	1.8
65.03928	2.1
65.98096	1.5
67.05499	19.5
67.69972	1.4
69.03419	6.5
69.07063	11.1
70.35208	3.5
70.35613	4.9
71.04993	24.5
74.14005	1.4
79.05487	55.4
81.03416	1.9
81.07047	15.1
83.04976	15.4
83.08610	3.2
85.06533	4.8
87.14066	1.4
91.05476	29.1
93.07041	35.6
95.04964	60.6
95.08600	3.2
97.06531	12.8
99.04444	8.6
103.05471	3.8
105.07016	26.3
107.04948	32.8
107.08586	48.1
109.06509	28.2
109.10159	3.8
111.04452	7.0
111.08065	5.2
117.07009	10.4
119.08562	18.0
121.06501	23.8
121.10138	32.1
122.06845	1.8
123.04426	3.9
123.08083	4.6
125.05981	11.6
125.09628	2.1
127.03878	1.5
129.07001	9.6
130.07817	2.7
131.08559	79.2
132.08902	3.7
133.10129	6.6
134.19525	1.5
135.04437	3.6
135.08046	6.5
135.11688	9.1
137.05956	2.5
137.09636	2.0
139.11163	1.7
141.05478	1.9
143.08577	2.7
145.06441	2.9
145.10120	40.7
147.08015	8.4
149.05949	5.3
149.09608	100.0
150.09955	2.3
153.05473	6.3
153.09093	16.7
155.08511	1.7
163.07550	6.7
163.11179	28.1
163.14908	1.8
165.09077	14.1
167.07074	4.1
167.10651	7.4
173.09575	7.7
173.13268	4.9
191.10661	42.3
191.14294	12.6
209.09758	3.0
209.11725	44.7
209.15337	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.91770	0.8
53.03938	3.0
55.01868	8.4
55.05262	1.2
55.05505	13.8
57.03427	3.2
57.07066	2.1
65.03928	3.5
67.05502	24.8
69.03427	14.4
69.06734	1.0
69.07069	15.8
70.00376	4.8
71.04608	1.0
71.04997	19.2
77.03908	1.3
79.05489	53.9
81.03402	3.7
81.07054	20.0
83.04977	21.5
83.08617	1.7
85.02899	1.7
85.06538	5.7
91.05474	39.0
92.05811	1.0
93.03401	2.1
93.07040	47.2
95.04962	19.3
95.08600	11.9
97.06525	11.6
99.04462	2.7
99.08082	2.3
103.05457	3.1
105.07027	32.5
106.04156	2.1
107.04950	33.7
107.08590	67.7
109.06516	15.4
109.10139	6.6
111.04440	4.0
111.08083	3.4
113.06009	2.1
115.05439	1.9
116.06223	3.0
117.07010	11.8
119.04932	1.3
119.07800	1.4
119.08582	18.5
121.06500	29.2
121.10136	41.4
123.04433	4.3
123.08066	8.9
123.11733	1.7
125.05992	12.2
125.09643	3.2
129.06987	8.7
130.07768	3.1
131.04942	1.7
131.08563	80.0
132.08932	1.6
133.06451	1.4
133.10132	11.1
135.04393	2.3
135.08064	9.5
135.11703	8.8
137.05916	1.8
137.09605	2.1
139.07516	2.6
139.11160	6.3
141.05450	1.4
143.08527	1.6
145.06470	3.5
145.10117	43.3
146.10403	1.6
147.08052	8.5
147.11678	5.4
148.05135	1.9
149.05997	8.2
149.09613	100.0
149.13228	11.4
150.09998	1.8
151.07617	1.2
151.11183	7.8
153.05457	6.1
153.06578	0.8
153.09119	3.5
155.08492	1.7
155.76271	0.9
163.07536	8.0
163.11182	29.3
163.14827	4.9
165.09105	14.3
167.07024	4.9
167.10687	10.4
173.09586	7.0
173.13281	5.5
177.05478	3.8
191.10664	47.5
191.14258	7.4
192.11066	1.0
194.00340	2.8
209.02638	1.9
209.04443	1.5
209.08099	1.9
209.11725	47.7
209.15205	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	209.0918
Annotation	L-Kynurenine
Peak:m/z	Relative Intensity
51.55581	1.5
53.03936	2.0
55.01860	6.0
55.05503	5.2
56.05028	2.3
56.96558	3.1
57.07072	2.8
65.03931	3.0
67.05493	5.5
69.03437	3.7
69.07063	3.0
70.06598	7.4
71.04987	3.4
71.56429	1.9
71.56849	1.5
72.08150	2.8
74.02438	20.0
79.05496	7.6
80.04980	3.1
81.07046	4.8
83.04986	6.7
83.06059	1.4
83.08609	2.3
84.04504	2.2
84.08128	4.8
86.09716	1.9
88.03997	1.6
89.03959	1.6
91.05471	15.5
92.05009	3.9
93.07039	8.4
94.06561	100.0
95.04958	11.8
95.08623	3.9
96.83611	1.4
97.06535	2.8
99.00820	13.0
99.04443	1.8
103.05457	4.4
104.05004	6.2
105.04507	1.6
105.06996	3.4
106.06546	1.7
107.04982	3.0
107.08607	8.0
108.08101	2.0
109.06525	6.4
109.07673	1.9
109.10152	3.9
111.04423	2.3
111.08053	1.7
117.03424	1.6
117.07012	1.7
118.06539	41.3
118.07283	1.7
119.04931	2.0
119.08591	3.2
120.04461	36.3
120.07216	1.4
120.08015	2.8
121.02831	1.5
121.04904	1.4
121.06491	17.3
121.10149	4.6
122.06039	4.6
123.04449	2.9
123.08031	1.8
125.05984	1.4
125.09641	3.2
128.04980	1.5
129.07005	2.3
131.08583	2.3
132.04428	14.1
133.10130	2.0
134.03613	1.7
135.04422	3.3
135.08011	3.6
135.11659	2.8
136.07565	30.2
136.08575	2.9
136.11156	1.4
138.09128	1.8
145.02840	1.8
145.10123	2.5
146.05997	87.0
146.09645	2.4
147.04420	2.2
149.05962	4.7
149.09581	3.3
149.13254	1.7
150.05496	41.0
151.11195	3.8
153.05392	1.8
162.57484	1.5
163.03857	2.3
163.07414	3.5
163.08676	10.2
164.07051	8.7
165.45786	1.4
167.08195	2.6
167.14267	2.4
174.05524	24.9
177.05508	6.9
181.06441	3.0
185.97537	1.8
191.06963	3.0
191.14354	4.7
192.04826	1.0
192.06537	28.1
192.10138	2.8
194.00305	1.6
194.02077	3.0
209.04391	11.0
209.06271	2.7
209.09546	6.4
209.11716	2.5
209.13367	1.7
209.15337	21.3
210.05183	1.4
224.98795	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.03153	1.2
53.03944	9.7
55.01869	17.0
55.05511	3.0
57.03433	5.1
61.26839	1.1
65.03935	16.4
67.05514	8.2
69.03421	2.1
69.07075	3.6
71.04977	1.3
75.04482	12.7
77.03922	1.6
78.04717	16.1
79.05492	12.5
81.03427	3.0
81.07055	5.2
82.04198	1.8
83.04975	4.3
83.08620	1.2
85.02905	10.8
85.06535	2.1
89.03909	7.5
89.06017	4.0
91.05479	55.2
93.03408	30.7
93.07042	24.9
94.04214	1.6
95.04964	32.1
95.08622	4.9
97.06528	17.6
98.21497	4.1
103.05460	24.2
105.03381	3.6
105.04510	3.1
105.07012	5.4
106.04168	100.0
107.04984	6.6
107.08630	6.5
108.05786	1.2
109.02882	1.4
109.06541	8.4
109.10175	2.1
110.03674	1.8
111.04462	4.0
111.08117	1.7
117.03371	5.8
117.07018	1.7
118.04128	2.4
119.04942	5.1
119.08606	2.6
120.05714	2.1
121.06503	85.0
121.10130	3.2
121.36877	1.0
122.03671	1.5
122.07273	1.9
123.04430	5.6
123.08050	4.0
124.05227	2.3
125.05988	29.8
125.09636	2.0
128.13618	1.1
131.04919	10.5
133.02835	3.3
133.06487	2.7
133.10136	1.5
134.03630	13.4
135.04449	5.4
135.08060	3.1
135.11690	2.6
135.47807	1.3
137.05980	13.6
138.03090	1.7
138.06766	4.3
139.07541	5.5
145.02856	6.3
145.10133	4.5
147.04428	2.6
147.11649	1.7
148.05190	12.0
149.05977	98.5
149.09579	2.8
151.03976	1.5
151.07570	5.1
151.11163	1.1
152.08380	1.4
153.05518	7.6
153.09106	19.2
159.04449	3.1
162.03098	1.9
163.07565	6.7
163.11163	4.0
165.05501	3.0
165.09189	1.7
166.06271	3.9
167.07088	2.7
168.37173	1.1
173.13206	1.2
176.04617	1.2
177.05470	37.3
181.08606	20.9
191.07088	7.8
191.14311	1.8
209.04514	3.5
209.08052	16.9
209.09605	1.6
209.11519	1.9
209.15269	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03926	3.2
55.05501	19.2
57.07059	8.4
61.39289	2.8
67.05501	34.9
69.03429	5.2
69.07070	32.5
71.04991	6.6
71.57929	3.5
72.18076	2.6
73.79177	2.7
79.05478	22.8
81.07052	61.5
83.04946	4.7
83.08599	7.8
91.05473	43.3
93.07034	72.5
95.04956	12.9
95.07978	4.1
95.08599	86.0
97.06535	4.0
97.10154	3.6
105.07025	80.8
107.08591	64.8
109.06510	9.1
109.10158	33.0
111.08083	4.1
115.96423	6.8
116.97244	4.6
117.07011	7.5
119.04942	7.2
119.08573	99.8
121.06480	4.1
121.10132	35.3
123.08051	9.6
123.11684	15.2
131.08565	8.2
133.06453	3.2
133.10118	61.2
133.97449	8.0
135.08000	3.1
135.11719	9.9
137.09618	10.3
145.10091	10.9
146.10890	5.9
147.04391	8.7
147.07993	5.9
147.11668	69.1
149.09634	13.8
149.13249	95.5
150.13580	3.5
151.07535	7.4
154.42804	3.4
160.12474	3.5
161.09648	4.9
161.13243	29.1
163.03824	6.2
163.14822	8.6
165.12743	6.1
171.11734	3.4
178.54234	3.3
189.09111	3.3
189.12756	14.8
189.16368	100.0
192.09348	4.3
207.02968	5.2
207.06490	14.5
207.09828	4.6
207.11903	5.8
207.13779	27.5
207.17436	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03949	4.0
55.01892	2.3
55.05505	16.0
57.03439	4.1
57.07078	3.0
65.03943	7.6
67.05502	27.5
69.03429	2.6
69.07059	20.4
71.04977	3.7
71.57652	1.6
74.59779	1.6
77.03963	1.9
78.04708	1.6
79.05486	24.0
81.03434	2.6
81.07049	49.5
83.04987	4.3
83.08639	6.9
85.02910	2.4
91.05474	67.4
92.05828	2.1
93.03452	2.1
93.07035	42.3
95.04958	10.6
95.08600	67.7
97.06555	3.5
97.10184	4.2
98.22744	1.5
103.05481	5.4
105.03404	2.3
105.07027	63.4
107.04949	2.8
107.08589	40.4
107.09289	2.3
108.05767	3.9
109.06556	5.4
109.10158	26.7
111.08091	3.6
117.07057	4.8
118.04179	6.2
119.04931	35.4
119.08572	74.2
121.02893	4.4
121.06525	4.9
121.10134	23.3
123.04457	6.7
123.08105	5.9
123.11703	11.6
127.97254	1.4
131.04924	2.7
131.08592	5.3
132.02077	2.0
133.02815	1.5
133.06497	4.2
133.10121	55.2
135.04442	2.9
135.08066	2.2
135.11699	6.6
136.05186	11.7
137.05994	2.1
137.09653	3.3
137.13217	1.5
142.55505	1.6
143.08562	3.2
145.10152	6.6
146.03604	8.4
146.10901	2.2
147.04385	30.7
147.08099	3.4
147.11673	45.6
147.12791	2.6
148.12144	1.5
149.02344	26.1
149.05978	3.5
149.09637	5.5
149.13255	48.6
151.07536	14.1
157.04027	1.8
157.06671	1.6
159.11775	1.7
160.12503	3.1
161.06047	2.5
161.09666	2.4
161.13251	18.3
163.03937	6.7
163.14853	3.8
164.04677	31.3
165.09183	1.9
165.12738	2.7
171.11714	3.3
174.03082	9.7
174.14116	2.6
175.03873	12.5
177.05534	1.9
179.07042	21.8
179.08502	2.6
189.05493	1.9
189.12817	6.8
189.16367	100.0
191.03468	2.2
192.04176	12.4
192.09285	2.5
193.79021	1.4
207.03053	1.7
207.06499	44.0
207.09979	1.8
207.13794	13.4
207.17422	33.7
207.19370	1.7
208.06891	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05502	7.1
57.07071	4.3
59.04994	3.1
60.35873	1.4
65.03934	1.6
67.05505	19.1
67.47684	1.7
69.03422	5.5
69.07049	2.9
71.04984	4.5
71.45785	2.0
71.46122	1.9
79.05478	7.1
81.07043	10.0
83.04983	4.4
85.02885	2.2
85.06506	3.2
86.31802	1.5
91.05470	17.2
91.95323	1.6
93.07037	18.8
95.04945	4.9
95.08606	60.9
97.06520	2.3
103.05447	2.3
105.07019	29.5
107.04972	2.8
107.08581	22.3
109.06506	7.6
109.10155	4.0
111.08057	2.2
113.05990	1.8
117.07005	2.2
119.04928	6.3
119.08578	33.3
121.06496	8.1
121.10142	18.0
123.08062	43.5
123.11668	5.8
129.07053	2.4
131.08565	8.3
132.09319	1.7
133.06482	4.5
133.10129	11.2
135.08026	2.7
135.11694	3.3
137.06076	1.8
137.09601	5.1
137.13245	1.9
139.07430	2.4
143.08528	3.8
145.10060	2.7
147.04419	2.3
147.08064	9.1
147.11679	21.2
149.02425	1.6
149.09612	100.0
151.07520	5.5
151.14810	3.9
156.09341	5.3
159.08063	3.3
159.11581	2.7
161.09608	4.3
161.13240	28.1
163.11252	1.6
165.12723	9.5
171.11668	7.2
174.10385	5.2
175.03860	2.4
180.36345	1.5
189.12720	37.2
207.13797	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	2.4
55.05512	6.8
57.03417	1.8
57.07068	2.6
59.04979	3.9
59.07367	0.8
65.03927	3.4
67.05499	13.5
69.03423	6.9
69.07056	6.8
69.93341	4.7
71.04970	3.6
79.05493	12.3
81.03389	2.0
81.07057	22.8
83.04964	13.3
83.08608	1.3
85.02905	2.2
85.05997	1.0
85.06509	2.7
91.05475	31.0
93.07032	15.6
95.04964	11.3
95.08602	37.0
96.08144	1.3
97.06499	6.3
98.20704	1.0
99.04435	2.7
103.05473	2.6
105.07023	55.2
107.04974	2.3
107.08582	30.5
109.06507	11.8
109.10165	6.3
111.04453	1.2
111.08068	2.3
113.05981	1.6
115.05466	1.1
117.06979	5.2
118.04124	1.8
119.04928	18.9
119.08572	43.6
120.08041	1.3
121.06490	7.5
121.09335	1.2
121.10140	14.1
123.04527	1.2
123.08064	67.1
123.11681	13.2
128.06194	3.8
129.06992	4.2
131.08569	9.0
133.06493	13.8
133.10118	13.4
135.08069	5.5
135.11662	1.5
136.05124	1.3
137.05952	1.8
137.09653	6.2
137.13266	1.7
139.07547	1.5
141.06979	1.5
143.08566	9.4
145.06500	1.7
145.10109	10.4
146.03612	1.3
146.07230	1.9
147.04419	9.5
147.08041	14.8
147.11676	27.6
149.02313	3.2
149.09613	35.5
151.07520	29.3
156.09331	7.8
157.03903	1.0
159.08047	4.9
159.11687	5.5
160.08853	3.6
161.09608	15.1
161.13245	31.8
163.11163	3.8
164.04659	3.3
165.09119	2.6
165.12740	15.5
171.11676	13.7
174.03238	1.1
174.10374	11.0
175.03906	9.7
177.12685	1.9
179.07054	2.8
179.14310	2.8
189.09096	3.8
189.12735	72.8
190.13037	1.6
192.04128	2.0
207.06462	8.0
207.13788	100.0
208.14111	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.0
55.05506	9.6
57.07064	5.5
59.04975	2.0
62.51596	1.6
65.03940	3.5
67.05500	33.8
69.03416	6.1
69.07058	5.3
71.04987	4.4
71.33933	3.3
73.66402	1.3
79.05495	11.3
81.07054	11.4
83.04966	6.1
85.06522	5.3
91.05482	20.8
93.07030	23.2
93.76518	1.6
95.04967	6.3
95.08604	100.0
97.06535	1.7
105.07030	34.3
107.04938	1.9
107.08591	34.0
109.06521	10.9
109.10162	6.5
111.08088	2.8
113.05956	3.1
114.20794	1.7
115.05405	2.3
117.07010	3.4
119.04935	3.9
119.08574	42.7
121.06526	8.4
121.10137	22.4
123.08064	55.8
123.11697	9.9
125.09625	1.8
129.06940	2.2
131.08525	7.2
133.06436	2.8
133.10120	10.8
135.08063	3.3
135.11671	1.5
137.09601	7.2
137.13242	2.4
143.08617	3.9
145.06569	1.6
145.10158	4.2
147.04414	2.1
147.08047	9.6
147.11671	22.4
149.09621	57.0
150.10141	2.2
151.07530	3.8
151.14824	3.2
156.09364	4.4
159.08069	3.8
159.11736	3.8
160.08847	1.9
161.09589	3.7
161.13242	30.4
163.11223	4.2
165.05121	1.4
165.09190	1.6
165.12735	8.7
171.11659	8.4
174.10413	4.6
179.14307	2.1
189.12738	28.3
207.06451	1.7
207.13799	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	0.7
55.01873	1.4
55.05510	2.3
57.07062	2.0
58.40613	0.6
59.32036	0.6
61.18079	0.6
65.03945	2.6
67.05502	6.4
69.03419	2.3
69.07070	2.2
70.74657	1.1
71.04983	0.9
77.03935	0.8
79.05494	5.3
81.07055	18.5
83.04998	1.4
83.05454	0.6
85.02905	100.0
85.06535	1.0
86.03245	1.5
89.03908	0.9
91.05479	23.8
93.07050	5.8
95.04968	2.7
95.08612	6.8
102.79408	0.7
103.05507	0.7
103.57964	0.5
105.07027	11.6
106.43739	0.5
107.04975	1.1
107.08586	8.4
109.06508	2.7
109.10155	19.2
111.04424	1.7
115.05447	0.8
117.07029	1.7
118.04167	2.1
119.04948	17.1
119.08572	12.1
120.05206	0.8
121.06509	1.9
121.10137	13.3
123.04394	0.7
123.08092	2.9
123.11705	60.1
124.12012	1.3
124.56633	0.6
125.05991	12.1
129.07076	1.3
130.07849	0.7
131.08578	4.4
132.02069	1.2
133.06512	1.8
133.10129	2.5
137.09608	1.6
141.05440	1.0
143.08543	2.1
145.10133	5.9
146.03650	0.7
147.04407	11.9
147.08066	7.3
147.11690	11.2
149.02335	1.7
149.09621	15.2
151.07544	3.2
153.38603	0.6
156.09351	3.8
157.03894	0.8
159.08015	1.4
159.11691	0.7
160.08859	0.6
161.09613	2.4
161.13275	3.4
163.11136	1.3
164.04659	2.3
165.09032	0.6
165.12782	2.4
169.08633	1.3
171.11662	2.1
174.10396	1.5
175.03909	12.3
179.07062	1.6
189.12762	9.9
192.04170	5.2
207.06538	8.7
207.13805	32.9
208.14120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.24657	1.6
53.03949	3.2
55.01850	6.8
55.05507	17.2
56.96559	2.5
57.03419	5.9
57.07071	4.1
57.54428	2.3
59.05011	2.1
63.33231	1.8
65.03925	8.3
67.05507	20.8
68.71954	1.8
69.03422	10.8
69.07074	14.8
70.54060	2.9
71.05004	9.6
71.05316	1.7
79.05491	20.7
81.03405	5.7
81.07056	31.3
83.04980	9.3
83.08613	3.3
85.02879	4.8
85.06542	3.2
89.03910	5.7
90.49918	1.7
91.05476	100.0
93.07037	33.6
95.04956	16.4
95.08595	30.3
97.06549	9.5
99.04445	3.6
103.05449	5.5
105.03366	2.6
105.07026	99.0
107.04922	6.5
107.08579	38.3
109.06520	20.8
109.10146	13.4
111.04424	3.1
111.08060	6.5
115.05457	3.0
115.07223	1.9
117.07024	10.5
118.04169	5.1
119.04942	58.0
119.05780	3.5
119.08575	89.2
120.08090	3.9
120.08885	2.2
121.02830	2.7
121.06525	16.6
121.10134	22.7
123.08064	24.9
123.11684	10.8
125.05945	2.7
127.07549	2.0
128.06187	6.3
129.06989	5.6
131.08563	14.2
132.02065	4.6
133.06520	9.4
133.10124	30.7
135.08037	12.4
135.11708	9.7
136.05200	3.7
137.05978	6.0
137.09598	14.9
137.13258	3.5
141.43466	2.2
142.07785	2.2
143.08539	12.6
144.09381	2.2
145.06477	3.3
145.10083	11.4
146.03607	3.0
147.04405	42.2
147.08061	25.1
147.11684	66.8
148.12105	2.7
149.02336	8.2
149.09625	37.0
149.13257	3.1
151.07594	10.6
151.11154	7.2
156.09322	12.7
157.04037	2.9
159.11700	15.5
160.08826	2.4
161.05922	3.5
161.09631	12.0
161.13255	60.1
163.11145	9.0
164.04668	3.7
165.09117	4.8
165.12770	11.4
171.11729	12.9
172.00989	2.1
174.03056	2.3
174.10371	5.4
175.03897	39.9
177.12755	6.1
179.07039	9.1
179.08890	7.1
179.10437	1.9
179.14284	5.4
189.09027	4.8
189.12741	47.9
192.04193	14.6
207.06523	24.8
207.08403	3.6
207.10211	6.0
207.11874	4.1
207.13802	77.2
207.15752	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.80830	1.5
53.03930	4.3
55.05510	20.0
57.07072	3.0
65.03918	3.7
65.31843	1.5
67.05177	2.1
67.05504	26.9
69.03423	9.9
69.07072	18.0
69.63033	11.3
71.05010	2.8
72.73009	1.4
79.05489	15.6
81.07047	12.2
83.04969	8.4
83.08640	1.9
91.05471	34.5
93.07037	20.1
95.04963	20.2
95.08604	31.4
97.06506	3.9
98.20778	1.8
99.04434	3.0
101.06026	1.8
103.05436	3.5
105.07027	81.1
107.04939	2.9
107.08589	29.0
108.09388	1.9
109.06494	6.1
109.10143	3.4
115.05442	4.6
117.06997	12.5
119.04934	9.2
119.08575	100.0
121.06499	7.0
121.10132	19.2
123.08051	9.7
123.11684	1.9
125.05986	5.0
128.06181	4.7
129.06996	8.8
130.07759	5.6
131.08560	27.9
133.06482	9.6
133.09097	3.4
133.10121	60.9
135.08035	9.2
135.11676	4.6
137.09619	4.1
139.04286	1.6
141.06958	6.4
142.07767	2.7
143.08554	10.4
144.09352	11.2
145.06491	3.7
145.10126	14.4
146.07269	2.2
146.10881	3.4
147.04390	5.3
147.08044	24.6
147.11676	32.1
148.12390	2.6
149.09608	6.5
149.13263	2.2
151.07520	4.3
156.09332	37.9
159.08058	15.5
159.11685	74.5
160.08908	4.0
160.11987	1.6
161.09625	15.0
161.13245	77.9
162.13576	2.1
163.11223	5.0
165.12807	3.8
171.11678	46.6
174.10400	25.7
175.03899	3.9
177.09099	1.9
177.12772	7.4
179.06938	2.1
182.18221	1.6
187.81766	1.4
189.12735	64.3
190.13005	2.5
192.11485	3.7
207.06512	2.3
207.13805	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02376	0.8
53.03943	7.5
55.01867	2.5
55.05508	8.0
56.96554	1.5
57.03437	1.1
57.07059	1.3
59.04989	0.9
62.10082	0.7
65.03933	3.5
67.05503	27.2
69.03424	1.9
69.07066	7.6
71.04984	3.8
77.03921	1.6
79.05490	52.8
79.47025	0.9
81.03419	1.5
81.07053	26.1
83.04990	3.1
83.08627	3.1
85.02905	1.8
85.06532	3.4
91.05479	63.5
93.07040	100.0
94.07373	1.9
95.04967	21.5
95.08604	12.7
97.06532	2.9
103.05502	1.1
105.04523	3.5
105.07028	36.0
107.04955	1.3
107.08582	13.4
109.06511	6.7
109.10147	2.8
111.08099	1.1
115.05434	1.8
115.96446	1.7
116.97234	1.3
117.06996	6.5
119.04959	1.6
119.08574	23.2
121.06512	3.1
121.10149	3.4
123.08076	6.9
123.11668	1.5
127.07584	1.1
128.06187	1.7
129.07001	9.7
131.08578	2.7
133.06497	1.8
133.10120	8.3
133.97441	2.2
135.08006	1.4
135.11661	1.5
137.06007	1.1
137.09601	2.9
142.44061	0.8
143.08574	5.8
145.10130	8.6
147.04407	1.5
147.08063	4.0
147.11681	65.6
148.12079	1.1
149.09605	1.5
151.07561	3.1
156.09315	1.3
161.09637	3.9
161.13252	10.7
163.03905	2.1
163.11237	1.5
165.08981	1.1
165.12764	0.9
171.11668	20.6
172.12015	1.0
179.14343	1.1
186.14697	0.8
189.12752	13.6
189.16412	1.4
192.09390	2.3
207.06523	3.7
207.09995	1.5
207.11761	2.9
207.13753	20.8
207.17432	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02371	1.1
53.03943	6.4
55.01859	1.8
55.05510	7.0
56.96554	0.9
57.03425	0.8
57.07063	0.4
59.17105	0.4
60.40276	0.4
65.03931	1.9
67.05499	23.8
69.07059	6.6
70.87225	0.5
70.87586	0.9
71.04986	2.4
71.84865	0.5
77.03926	2.1
79.05486	42.0
81.03393	1.7
81.07048	20.2
82.07368	0.4
83.04979	1.7
83.08613	1.6
85.02898	0.9
85.06543	3.4
87.04456	0.7
91.05473	63.8
92.05787	1.0
93.07034	100.0
94.07351	1.9
95.04959	19.4
95.08597	7.4
97.06521	1.5
103.05470	1.2
105.04512	3.3
105.07021	32.0
107.04932	1.0
107.08582	9.7
109.06508	4.2
109.10136	0.9
113.06030	0.6
115.05408	1.0
117.06992	4.6
119.04855	0.8
119.08567	18.9
121.06482	2.0
121.10135	2.3
123.08064	2.5
127.07552	1.1
128.06209	1.7
129.06989	10.7
130.07823	0.6
131.08539	2.1
133.06471	0.9
133.10124	6.7
133.57945	0.5
135.11705	1.1
141.09032	0.5
143.08556	6.2
145.10098	8.1
147.04355	0.5
147.08046	1.9
147.11673	67.8
148.12004	1.7
149.09610	0.5
149.13206	0.8
151.07483	0.5
156.09344	1.0
159.11778	0.5
161.06018	0.6
161.09625	3.3
161.13231	7.6
163.11176	0.8
171.11671	19.6
189.12733	11.5
189.16417	0.9
207.06448	0.9
207.13766	13.0
207.17340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.9
55.01861	1.3
55.05505	5.6
57.03418	1.6
67.05504	8.2
69.03413	2.4
69.07047	4.1
71.04984	7.2
71.08650	1.8
71.09021	2.0
79.05485	11.2
81.07052	19.8
83.04977	1.8
85.02880	4.1
85.06522	2.8
91.05474	18.6
93.07043	18.9
95.04952	4.3
95.08592	4.0
97.06517	9.1
99.04446	9.7
103.05453	2.5
105.07023	74.4
106.07351	1.2
106.34653	1.0
107.04993	2.1
107.08587	51.3
108.08937	1.1
109.06510	7.3
109.10151	12.2
117.07043	4.8
119.04931	6.2
119.06118	1.0
119.08569	43.8
120.08828	1.1
121.06479	10.0
121.10109	3.6
123.08034	1.7
123.11670	2.3
128.06226	3.7
129.07004	4.9
131.08563	11.2
133.06496	5.6
133.10109	8.8
135.08018	3.1
141.07014	2.0
142.07796	1.2
143.08533	12.2
145.06509	1.6
145.10110	14.5
147.08037	14.7
147.11676	55.2
148.12067	1.3
149.09612	14.8
149.13232	2.7
156.09317	7.8
159.11691	19.2
160.08830	1.1
161.09642	4.5
161.13243	39.8
162.13580	1.5
165.12798	1.0
171.11682	11.8
177.12714	5.0
189.12720	16.0
190.13069	0.9
207.13791	100.0
208.14175	4.7
211.30786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01857	0.9
55.05492	1.6
56.96560	3.3
57.07059	1.8
65.03918	1.8
67.05495	5.3
69.03416	1.3
69.07064	3.3
71.04977	2.6
71.57855	1.0
75.27640	0.6
79.05494	4.5
81.03401	1.3
81.07058	7.5
83.04955	1.5
83.08612	1.0
85.02902	1.0
85.06508	0.6
91.05470	12.9
93.07034	8.2
95.04960	7.0
95.08598	5.3
97.06469	0.9
103.05436	1.6
105.03382	0.7
105.07021	11.8
107.04940	1.6
107.08611	6.3
109.06523	3.6
109.10149	3.2
111.08070	0.8
115.96429	1.0
117.07008	1.8
118.04177	1.0
119.04935	6.1
119.08570	10.7
121.06467	2.3
121.10106	5.0
123.08058	8.6
123.11714	3.0
128.06256	0.7
129.06992	1.4
130.07756	0.7
131.08566	2.9
133.06494	3.6
133.10114	3.7
133.97432	1.2
135.08032	1.7
135.11703	1.9
136.05183	1.2
136.08768	0.7
137.05960	3.4
137.09593	2.2
138.06790	0.7
143.08540	1.2
145.10127	2.9
146.03642	1.6
146.07332	0.7
146.10876	0.8
147.04398	6.3
147.08014	2.8
147.09099	0.6
147.11678	10.3
149.02342	2.1
149.09605	6.9
149.13264	1.0
151.07541	8.5
151.11067	0.9
156.09337	1.4
159.08073	4.9
161.05981	0.9
161.09598	1.8
161.13293	4.6
163.11125	2.3
164.04666	4.3
164.11937	1.3
165.05603	0.7
165.09102	1.9
165.12753	7.0
171.11684	2.0
173.07599	0.7
173.09610	1.4
174.03088	0.9
174.10396	6.8
175.03943	4.0
175.11142	1.0
177.09023	3.3
179.06999	3.2
179.08456	1.0
189.05508	0.9
189.12729	13.1
189.16386	2.1
191.10646	3.9
191.12050	0.7
191.84167	0.7
192.04120	3.5
192.09555	1.7
192.11433	32.5
193.11711	0.8
207.02975	0.6
207.06512	12.0
207.13785	100.0
207.17311	2.3
208.09663	0.7
208.14188	2.9
222.39165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03928	2.1
55.05501	1.8
56.96552	2.6
57.07054	1.7
63.02357	1.5
65.03944	10.3
66.04717	1.1
67.05491	5.6
69.03424	1.6
69.07054	2.5
70.83450	1.0
71.04996	1.7
75.02354	1.2
77.03924	1.6
79.05472	4.9
80.06277	1.4
81.07053	6.8
83.04921	1.3
83.08615	1.3
85.02902	2.0
87.52454	1.0
89.03899	6.2
91.05475	100.0
92.05799	1.2
93.07037	7.9
95.04953	6.2
95.08585	6.8
97.06522	1.4
98.21590	2.1
103.05444	3.4
104.02572	1.1
105.03390	2.0
105.07026	7.4
107.04961	1.8
107.08584	5.9
108.05688	1.3
109.06517	3.5
109.10122	4.9
111.04346	1.1
114.92858	1.0
115.96426	3.0
116.97209	2.2
117.06963	1.4
118.04150	8.6
119.04936	89.4
119.08598	8.4
120.05178	1.5
121.02863	2.9
121.06496	1.3
121.10140	4.2
122.03624	1.1
123.08031	4.9
123.11655	2.0
129.03337	1.4
131.08582	1.4
132.02043	7.2
133.06464	2.0
133.10124	4.3
133.97455	3.2
135.04379	3.5
135.11726	1.6
136.05194	3.3
137.09558	2.5
145.02840	1.9
145.10066	1.4
146.03635	6.4
147.04402	67.9
147.07977	2.1
147.11668	7.5
148.04805	1.5
149.02345	11.7
149.09627	3.3
149.13248	1.3
150.03081	1.7
151.03885	1.8
151.07539	3.4
157.03999	5.9
160.01634	1.2
161.09531	1.4
161.13211	2.5
162.03127	1.3
163.03873	2.2
163.11220	2.0
164.04700	5.9
165.12701	2.0
171.11722	1.7
174.03125	4.6
175.03894	66.4
176.04269	1.5
177.01788	2.1
179.06990	9.3
189.05501	1.6
189.12746	4.7
189.16379	3.4
192.02458	1.4
192.04166	18.2
192.09300	2.2
207.02943	1.6
207.06487	32.5
207.09698	1.5
207.11835	2.2
207.13712	10.2
207.17403	3.8
208.06558	1.4
225.23721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02388	0.7
53.03938	1.3
55.01869	1.6
55.05509	2.7
57.03437	1.1
57.07055	1.0
65.03934	10.7
66.04709	0.8
67.05504	3.9
69.03431	2.5
69.07066	2.9
70.51242	0.6
71.04981	2.0
76.03141	1.3
77.03921	1.6
78.04720	0.8
79.05492	5.6
80.06265	1.5
81.03407	1.2
81.07054	5.9
81.40034	0.6
83.04975	1.4
83.08626	0.9
85.02903	1.1
85.06539	0.8
89.03910	6.7
90.04689	2.6
91.05479	100.0
92.05791	1.4
93.03408	1.5
93.07043	7.7
95.04983	6.4
95.08604	7.9
97.06520	1.3
99.04437	0.8
103.05455	3.0
104.02565	0.8
105.03390	1.8
105.07029	14.9
106.04177	1.3
107.04960	2.8
107.08586	9.0
108.05744	1.8
109.06519	4.9
109.10143	4.4
111.08086	1.1
117.03399	0.9
117.07018	1.1
118.04160	10.5
119.04938	84.4
119.08581	11.9
120.05244	1.0
121.02833	3.5
121.06519	3.7
121.10141	5.2
122.03638	1.7
123.04427	2.2
123.08067	4.2
123.11732	3.5
125.05966	0.8
128.06229	1.0
129.03355	2.0
129.07004	2.1
131.04915	1.4
131.08556	1.8
132.02060	6.9
133.02864	1.7
133.06505	2.8
133.10110	5.5
134.03606	2.1
135.04419	3.7
135.08051	0.9
135.11725	1.6
136.05214	4.9
137.05974	1.8
137.09596	2.4
143.08517	1.6
145.02809	2.3
145.10121	3.2
146.03635	12.2
147.04407	67.2
147.08029	2.4
147.11678	12.9
148.04823	1.4
149.02344	18.8
149.05962	1.5
149.09604	4.6
149.13257	0.9
150.03098	2.3
151.07550	7.8
156.09343	1.9
157.03975	5.7
157.06395	1.4
159.11610	1.1
161.05963	1.9
161.09598	3.8
161.13248	4.5
162.03069	1.0
163.03931	3.6
163.11229	1.4
163.14743	1.3
164.04668	13.6
165.09131	1.3
165.12752	2.0
171.11668	2.2
174.03128	8.5
174.06796	1.1
174.10368	1.0
175.03903	63.4
176.04286	1.9
177.01802	2.2
179.07030	13.0
179.14336	0.8
189.09042	2.1
189.12781	5.8
189.16386	3.6
191.03410	1.5
192.04175	26.4
193.04546	1.0
207.03276	1.1
207.06516	42.2
207.10048	1.8
207.13824	9.8
207.17426	5.0
208.06912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.05042	0.2
56.96565	0.5
56.97953	0.1
57.03423	0.1
57.07081	0.3
61.02929	0.2
65.03924	0.3
66.17609	0.1
67.05489	0.2
68.99802	0.2
69.03429	0.1
69.07052	0.2
70.06618	0.2
70.97369	0.3
77.31935	0.1
79.05489	0.2
81.07056	0.2
83.10130	0.1
84.08152	0.2
95.04951	0.4
97.02899	0.1
98.09695	0.3
100.02166	0.2
104.04991	1.0
104.30206	0.1
105.03397	0.3
105.07049	0.3
110.06017	0.2
117.07082	0.2
119.04965	0.2
121.06554	0.2
132.04451	32.5
133.04765	0.4
134.99664	0.2
136.03894	0.3
136.06232	0.2
144.10208	0.6
146.99767	0.2
149.02341	0.4
150.02657	1.0
150.05464	0.1
160.03902	0.6
160.07585	0.2
160.09543	0.2
160.84618	0.1
173.59778	0.1
178.04991	100.0
179.05376	1.4
180.05406	0.2
191.14278	0.2
201.00786	0.3
206.04482	36.4
206.11819	1.0
207.04829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03934	2.0
55.05507	15.8
56.96548	1.9
57.07075	17.1
57.55481	1.2
65.03934	9.9
67.05494	14.5
69.03449	1.6
69.07064	28.0
71.04957	1.4
71.08630	2.0
79.05495	17.4
81.07048	48.7
83.08614	12.1
84.61088	1.3
90.37042	1.1
91.05479	11.2
93.03399	3.6
93.07037	56.3
95.04964	5.0
95.08601	39.2
97.02878	2.5
97.10169	8.7
105.06992	6.9
107.08592	56.8
109.06487	2.2
109.10146	30.0
109.50743	1.2
111.04429	2.1
111.11707	2.4
113.24846	1.4
117.06944	1.7
118.73724	1.1
119.08562	3.8
121.02851	14.9
121.03908	2.6
121.06513	4.0
121.10135	69.9
122.10465	2.5
123.11688	13.0
131.08578	2.8
133.10136	1.8
135.11691	31.6
137.13298	1.5
145.10094	4.0
147.11795	1.3
149.02330	100.0
149.13248	48.1
150.02667	3.8
150.13591	1.6
159.11697	1.5
163.11208	1.7
163.14827	5.4
167.03430	2.5
177.12761	2.7
178.63116	1.4
187.14821	1.9
190.11755	1.6
205.04903	1.7
205.08670	1.7
205.12192	3.2
205.14166	6.6
205.15916	5.2
205.17627	2.5
205.19496	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03928	1.0
55.01864	1.2
55.05495	2.2
56.96566	0.8
57.03422	0.5
57.07077	3.4
59.04983	0.6
61.32619	0.5
64.11256	0.6
65.03928	2.3
67.05505	3.9
69.03419	3.7
69.07056	2.2
70.65388	2.3
71.04992	3.4
79.05486	7.6
80.05014	0.6
81.03404	1.7
81.07056	7.4
83.04994	0.7
83.08604	0.6
85.02891	1.2
85.06575	0.7
90.46922	0.5
91.05478	12.8
93.03394	0.5
93.07034	7.9
95.04982	3.3
95.05494	0.5
95.08598	2.9
97.02886	1.6
97.06519	3.4
99.04462	1.5
103.05473	2.5
105.07030	25.2
107.04949	2.2
107.08586	7.6
108.04493	1.0
109.02879	0.6
109.06514	18.5
109.10133	1.0
111.04426	1.4
111.08048	0.7
115.05439	7.1
116.06216	0.9
117.07014	19.1
119.08572	9.9
121.02868	3.1
121.06489	5.3
121.10120	3.7
123.08041	1.1
123.11691	0.9
128.06221	2.6
129.07008	5.2
130.07788	10.0
130.62819	0.6
131.04904	0.8
131.08568	12.0
133.10132	2.0
135.08081	2.9
135.11723	3.3
136.07590	0.8
137.06007	1.4
141.06927	1.2
143.08554	5.8
144.05641	0.6
144.09335	5.6
145.06474	11.0
145.10120	100.0
146.05995	1.3
146.10690	0.9
147.08044	1.5
149.02332	18.7
149.05994	2.2
149.09630	1.7
149.13277	3.3
154.07817	0.8
155.06049	1.6
157.10097	1.6
159.08080	2.0
159.11687	30.0
161.05954	1.4
161.09633	1.5
161.13301	0.9
162.38185	0.7
163.07529	3.2
163.11137	3.7
164.07085	1.0
169.10123	3.4
172.08856	1.9
173.05948	4.7
175.07561	1.3
177.05548	0.9
177.09117	0.7
177.12733	4.3
178.06355	0.6
187.11179	11.2
187.14845	1.3
188.07120	0.6
190.06268	1.1
190.11797	0.7
200.90715	0.6
205.04950	1.6
205.08675	2.1
205.12256	32.1
205.14101	2.6
205.15884	2.9
205.19608	1.3
206.11833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01860	4.7
55.05500	10.4
56.05014	4.3
56.96555	3.4
57.07060	13.2
57.24688	3.1
60.04502	4.0
61.04864	3.1
64.71893	2.9
65.03929	10.4
67.05506	13.4
69.03421	24.7
69.07037	6.1
69.38229	3.1
69.38535	29.7
69.85813	2.7
71.04975	5.2
79.05492	16.4
81.03379	5.2
81.07043	9.4
83.04977	24.4
85.02895	4.2
87.16366	3.1
91.05479	44.4
93.03371	3.4
93.07042	36.0
95.04949	12.6
95.08602	13.0
97.02919	7.7
97.06567	3.2
97.42001	2.4
98.97574	5.2
99.04468	4.8
99.07100	2.5
103.05475	4.7
105.07024	65.0
105.07690	5.1
107.04958	18.0
107.08583	40.5
109.06497	10.8
111.04446	4.8
115.05440	10.6
116.06238	4.1
116.98641	3.4
117.07012	36.0
119.07288	3.0
119.08581	67.9
120.08107	4.5
121.02872	8.4
121.06491	33.0
121.10126	24.3
123.04435	6.9
123.08056	6.1
128.06169	5.7
129.06989	20.7
130.07774	11.8
131.04907	5.4
131.08554	41.2
133.06471	6.8
133.10072	17.4
134.99658	2.9
135.08046	70.9
135.11662	21.0
141.07007	3.9
142.07805	4.1
143.08496	6.8
144.09349	27.2
145.06480	16.2
145.10117	54.5
146.06053	4.9
146.07204	4.4
147.08052	40.2
147.11624	3.6
149.02332	74.8
149.05975	11.3
149.09633	8.9
149.13234	10.5
157.06482	6.8
157.10092	7.3
158.07239	16.4
159.04468	3.0
159.08038	32.6
159.11685	85.8
161.05983	5.0
161.09627	21.0
163.07530	8.9
163.11159	39.7
169.07629	3.4
169.10106	7.2
172.08804	20.2
175.07487	5.7
175.11189	6.3
177.09184	5.1
177.12743	29.6
187.07542	3.3
187.11157	59.0
188.07034	5.5
205.08536	4.9
205.12234	100.0
205.13991	5.3
205.15852	6.6
206.11897	5.3
211.04607	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03940	4.0
53.25468	1.7
55.01859	3.4
55.05510	9.9
56.05015	1.6
56.96547	1.8
57.03433	3.0
57.07052	6.8
58.06882	1.7
60.04490	2.0
65.03918	4.5
67.05503	11.6
69.03426	24.7
69.07054	6.7
69.62997	10.5
71.04986	4.2
75.50790	1.4
79.05487	15.8
81.03404	2.1
81.07043	7.7
83.04976	20.9
85.02907	3.2
89.29842	1.6
91.05476	38.0
93.07036	24.7
95.04984	9.0
95.08602	14.1
96.54798	1.6
97.02874	2.4
97.06509	1.8
98.21536	2.0
98.97617	2.2
99.04424	2.9
103.05453	4.0
105.07024	48.5
107.04938	6.4
107.08591	37.5
109.06506	8.8
111.04440	4.5
114.43031	1.6
115.05439	9.7
115.06172	1.4
115.46073	1.5
117.07013	30.3
119.08574	53.6
120.08088	3.3
121.02875	4.7
121.06509	19.4
121.10149	27.8
123.04443	7.6
123.08057	5.8
128.06238	4.3
129.06989	27.2
130.07773	9.3
130.58379	1.7
131.08565	33.2
133.06470	3.9
133.10127	15.9
135.08044	40.6
135.11707	18.6
137.05951	5.5
137.09641	3.3
141.06911	2.5
142.07755	3.9
143.08536	5.1
144.09332	36.7
145.06468	11.1
145.10114	34.1
146.06049	2.3
146.07146	1.9
147.08022	25.7
147.11606	1.8
149.02345	25.8
149.05991	8.4
149.09595	8.1
149.13228	7.5
157.06514	4.8
157.10094	4.5
158.07254	7.9
159.08064	17.1
159.11688	100.0
160.11990	2.5
161.05959	2.8
161.09628	17.1
162.10353	4.7
163.07544	7.8
163.11185	33.7
169.10129	4.5
172.08821	24.2
173.05945	2.5
175.07570	4.7
175.11214	2.0
176.08325	2.0
177.09093	4.1
177.12735	24.3
187.11172	39.2
190.09940	2.3
205.12239	69.1
205.14078	2.7
206.12102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	3.2
55.01859	1.6
55.05512	5.8
56.96562	1.9
57.03415	1.4
57.07074	6.3
65.03938	2.8
67.05504	11.5
69.03429	17.1
69.07057	5.6
71.04987	2.9
71.09126	3.0
79.05487	9.6
81.07042	4.6
83.04984	10.6
85.02908	2.3
91.05475	26.4
93.07037	14.3
95.04991	8.1
95.08599	12.4
97.02897	3.3
103.05441	2.5
105.07025	38.9
107.04956	3.5
107.07869	2.0
107.08585	24.0
109.06509	4.3
109.10158	1.4
111.04438	4.8
115.05460	4.2
116.06219	2.9
117.07011	19.8
118.06434	1.1
119.06116	1.6
119.08580	40.4
120.09363	2.2
121.02850	2.8
121.06502	12.6
121.10124	16.4
123.04391	8.2
123.08047	4.0
128.06230	3.1
129.07004	21.5
130.07803	7.3
131.04985	1.2
131.08563	30.6
133.06435	1.2
133.10118	13.6
134.10861	1.1
135.08054	14.9
135.11685	18.6
137.05975	3.3
142.07741	1.7
143.08565	4.8
144.09335	35.3
145.06461	6.8
145.10115	14.3
146.07227	1.8
147.08038	13.0
147.11559	1.7
148.08827	1.8
149.02341	20.3
149.05974	7.8
149.09608	3.3
149.13234	5.5
153.06947	1.3
154.07808	1.5
157.06476	2.8
157.10112	5.4
158.07260	3.7
159.08098	7.2
159.11687	100.0
161.09607	9.8
162.10355	1.7
163.07559	6.2
163.11177	16.6
169.10100	4.0
172.08832	20.1
172.10190	2.3
175.07567	2.9
175.11229	2.4
177.09085	1.3
177.12735	17.8
181.44725	1.1
187.11186	30.2
188.07037	1.5
190.09929	2.4
205.12244	49.7
205.14037	2.2
205.16048	1.7
206.12389	1.3
221.47049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02380	0.5
53.03941	3.7
55.01869	1.0
55.05510	1.0
56.05032	0.6
57.07067	2.0
58.22688	0.4
63.51303	0.4
65.03935	1.1
67.05499	1.2
69.03427	1.4
69.07047	0.8
70.81879	1.2
71.04975	0.5
72.08148	0.9
76.13263	0.4
77.03925	0.6
79.05492	2.0
81.03423	1.1
81.07030	0.7
83.04983	1.1
85.02905	0.6
85.06551	0.5
91.05474	21.3
93.07036	62.4
94.07373	0.7
95.04962	10.6
95.08601	0.6
96.11396	0.4
97.02886	0.6
103.05450	3.4
105.04501	1.6
105.07014	4.8
107.08592	2.1
109.02826	0.6
109.06477	0.6
115.05426	0.6
117.07028	2.4
118.06545	1.5
119.07301	0.6
119.08580	4.4
121.06493	100.0
121.10073	2.3
122.06803	0.7
128.06212	0.4
129.07004	1.4
130.07794	0.7
131.04890	0.5
131.07716	0.4
131.08517	2.4
133.10132	0.7
134.09656	3.6
135.08040	1.9
135.11705	1.4
143.08589	0.4
144.09337	1.1
145.06445	1.2
145.10110	4.7
146.05994	0.7
147.08008	2.7
149.02328	10.7
149.06010	0.6
149.09634	0.4
158.07217	0.4
159.08029	0.7
159.11691	5.9
160.47910	0.4
161.09622	0.7
163.07602	0.4
163.11168	3.5
168.56929	0.4
172.08841	1.5
177.12744	2.3
178.96761	0.4
187.11165	2.0
190.08559	0.6
205.05003	0.6
205.09183	0.6
205.12233	12.8
205.13928	0.5
205.15889	0.6
206.11736	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	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
52.77439	0.2
53.03944	0.3
55.01839	0.2
56.05027	1.6
56.96569	2.6
57.03408	0.3
57.07072	1.8
60.04514	1.0
61.04854	0.5
65.03925	0.9
67.05486	0.4
68.05014	0.3
69.03413	1.0
69.07038	0.3
69.67309	0.2
70.74958	0.8
71.04967	0.3
72.08141	1.1
73.02901	0.3
74.02438	0.4
74.06079	0.5
79.05485	0.9
80.38818	0.3
81.03411	0.7
81.07058	0.5
82.06535	0.3
85.02876	0.2
88.03973	1.2
91.05482	2.1
93.07032	0.7
94.77803	0.3
95.04955	0.4
95.08542	0.3
97.02885	0.5
98.97582	1.1
102.05522	0.5
103.05456	0.7
105.07027	4.8
106.06522	0.3
107.04993	0.5
107.08614	0.4
109.02867	0.5
115.05450	10.7
116.98604	1.5
117.05762	5.4
117.07021	1.2
118.06551	3.0
119.04939	0.6
119.07318	17.9
119.08627	0.6
119.97946	0.3
121.02856	1.1
121.06502	1.0
121.10133	0.5
122.06014	0.3
127.67919	0.3
128.98558	0.4
130.06537	1.3
131.04979	0.4
132.04474	0.5
132.08090	32.9
133.02859	1.1
133.08463	0.6
134.99631	1.2
135.08064	0.4
135.11679	0.4
137.06001	1.2
142.06519	10.0
143.04967	0.3
144.08081	0.5
145.06511	0.3
145.10120	0.7
146.06067	1.4
146.99603	0.7
147.07988	0.4
149.01152	0.6
149.02342	8.9
149.05898	0.5
159.09172	100.0
160.07582	2.6
160.09537	2.1
161.05933	0.4
161.09608	0.3
163.07507	0.4
163.11180	0.5
168.38652	0.2
170.05980	0.5
177.12747	0.8
178.05025	1.7
181.97914	0.4
193.04350	0.4
205.04886	0.5
205.09731	6.0
205.12195	1.1
205.13927	0.3
205.15842	0.8
206.04463	0.9
206.08116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90427	0.5
67.76906	0.4
70.74277	1.6
74.02428	1.9
75.19704	0.5
91.05446	2.6
115.05444	4.2
117.05754	1.9
117.06989	4.1
118.06537	49.2
130.06529	3.8
132.08089	12.7
142.06502	5.6
143.07297	7.1
144.04459	1.1
144.08081	22.5
145.06445	0.7
146.06003	100.0
147.06334	2.2
149.02356	2.2
159.09175	7.9
160.07596	1.7
162.15005	0.5
170.06020	7.9
188.07057	58.3
189.07387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
62.05072	0.9
67.89510	0.7
68.89647	0.8
71.10632	1.3
74.02431	1.4
91.05499	2.9
94.82951	0.7
115.05469	4.3
115.22332	0.8
117.05769	2.1
117.07024	2.8
118.06541	51.0
120.47781	0.8
130.06483	4.2
132.08089	9.3
138.17183	0.7
142.06511	5.0
143.07312	9.3
144.04448	0.9
144.08090	19.9
145.06487	1.6
146.06010	100.0
146.93869	0.8
147.06395	1.6
149.02345	2.0
159.09189	8.2
160.07643	1.7
163.05731	0.8
170.06033	7.7
175.43816	0.8
188.07066	87.9
189.07402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0819
Annotation	Glu-Gly
Peak:m/z	Relative Intensity
51.03415	0.4
54.03471	0.4
55.01857	1.6
55.05495	1.7
56.05035	100.0
56.96562	3.3
57.03433	2.5
57.07075	1.9
58.02941	1.6
58.06589	0.6
59.12358	0.4
60.04527	6.3
61.02928	5.0
65.03932	0.9
68.05012	1.7
69.03429	3.4
69.51118	1.5
69.51544	1.6
70.02935	0.7
70.06577	1.2
70.22941	0.4
71.01350	0.6
71.04977	1.0
72.04149	0.8
72.04516	7.1
72.08152	7.5
73.02918	4.1
74.02036	0.8
74.02443	14.7
74.06078	23.4
76.05156	0.5
79.05487	0.8
81.03429	2.1
82.06580	7.4
84.04507	5.4
84.08141	1.2
85.02902	6.3
86.02433	3.2
86.03208	0.5
87.03210	0.5
87.04469	0.6
87.05589	0.6
88.04031	0.7
88.04659	0.5
89.04771	1.4
91.05460	0.7
93.07040	1.4
95.04951	0.5
95.08597	0.5
96.04475	0.8
96.08114	0.7
97.02880	1.6
98.06047	0.5
98.97570	1.9
99.04437	1.1
100.03982	3.8
100.07607	1.5
101.02383	1.1
102.05540	29.1
103.05911	0.6
104.03466	1.9
105.06991	0.8
109.02865	0.9
111.02891	0.8
111.04475	0.5
113.02349	0.8
113.07131	0.7
114.05544	1.0
115.02431	0.6
116.07089	1.0
116.98601	1.6
117.02896	0.4
118.05006	2.5
118.08623	1.7
119.01900	5.6
119.08566	0.6
120.02014	0.5
120.06563	1.9
121.01629	0.9
121.02853	2.1
121.06506	1.0
124.07575	1.7
126.05476	0.7
126.85182	0.4
128.03357	0.5
128.07088	2.9
128.98592	0.7
129.03951	0.8
131.01889	1.8
131.08507	0.5
133.03462	1.4
134.06000	0.4
134.99663	1.7
135.08154	0.4
135.11719	0.6
137.02879	1.2
141.10207	4.1
142.04991	2.7
142.08624	1.2
143.01935	0.9
143.03435	0.5
144.06543	3.7
144.99825	0.6
145.03447	1.0
145.09924	0.7
146.03477	0.6
146.04489	3.9
146.08072	0.7
146.99594	0.5
149.01260	0.5
149.02310	13.9
149.06058	0.4
149.13303	0.5
153.00645	0.6
158.08154	0.4
159.07674	2.5
159.08911	0.4
159.11394	1.2
160.06088	0.7
161.02933	2.0
162.10310	0.5
163.02647	1.1
163.11235	0.5
164.07100	0.5
170.04453	1.7
170.08165	1.4
171.01495	0.4
173.02962	0.9
175.04585	0.7
177.00684	0.6
177.12704	1.2
185.02960	0.9
187.00858	1.2
187.10805	1.7
188.05528	5.8
189.00641	0.5
189.02438	0.5
191.00311	0.5
201.02467	0.9
203.04059	0.8
205.01871	0.5
205.04994	0.6
205.08228	5.0
205.12167	1.4
205.13956	0.8
205.15813	0.9
215.00366	1.2
217.01909	0.4
219.03464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1746
Annotation	2-Pentyl-1,2,3,4-tetrahydroquinoline
Peak:m/z	Relative Intensity
53.00296	0.4
55.05513	0.5
56.05029	0.6
56.66842	0.3
57.03433	0.4
57.07065	0.5
60.04517	3.2
65.03944	0.4
67.05489	0.6
68.05010	0.8
69.03418	0.7
69.07064	0.4
69.42856	3.0
71.08630	2.1
72.15536	0.3
72.25411	0.3
78.09234	0.3
79.05480	0.8
80.05005	0.4
81.07028	0.5
84.04515	2.1
85.02895	0.9
91.05468	1.3
93.07034	0.9
95.08592	0.5
96.04490	1.3
97.02872	1.8
98.06053	0.3
98.31418	0.3
99.04451	0.4
105.07012	1.9
106.07364	0.4
107.08573	1.1
109.10168	0.4
110.06020	0.4
114.05529	1.5
115.05457	1.5
117.07012	2.6
118.06528	7.3
119.05946	0.3
119.07317	7.5
119.08562	0.5
120.08071	0.4
120.08883	0.6
121.06489	1.0
121.10120	0.4
123.04413	0.3
126.05492	2.0
131.08533	0.7
132.08073	0.5
133.10104	0.4
134.09637	76.9
135.09966	1.0
145.06483	1.9
145.10135	1.4
148.12039	0.5
149.02312	4.0
149.05922	0.3
149.13213	0.4
155.06061	0.4
159.11684	0.9
161.05901	0.4
163.11014	0.3
168.06604	0.5
173.05966	0.9
177.12740	0.6
186.07581	0.4
188.10677	1.2
189.05119	0.3
189.11481	1.7
204.08551	1.0
204.13942	10.1
204.17455	100.0
205.08647	0.6
205.12280	0.7
205.16043	0.6
205.17773	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	204.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01866	2.7
56.05038	8.7
56.96548	7.8
57.03423	8.0
60.04521	100.0
60.08150	5.6
61.02917	7.3
67.05506	2.1
68.05023	11.9
69.03414	8.1
70.06583	14.2
70.26371	4.0
70.26762	4.3
71.04989	13.5
71.06106	10.5
71.06918	7.7
72.04512	6.1
72.06428	2.1
72.08138	8.7
73.02902	6.8
74.06067	4.4
74.46542	1.9
80.94611	1.7
81.03414	4.6
82.06569	5.4
83.04965	2.9
84.04498	20.6
84.08125	12.2
85.02898	81.2
85.08469	3.9
86.06052	2.5
88.08743	4.0
91.74247	1.7
96.04481	20.2
97.02881	23.9
98.06054	8.0
98.97570	3.9
99.04455	3.6
100.07604	3.4
101.01725	21.2
102.05546	2.5
103.03920	1.8
109.02921	2.9
110.05981	3.6
112.03969	2.2
113.07922	3.8
114.05535	12.3
115.02271	2.0
116.07085	5.7
117.05428	2.3
117.07425	3.5
119.01920	12.6
120.02008	5.3
122.06010	2.3
125.11384	1.6
126.05507	20.1
127.03915	5.1
128.07066	3.2
131.01852	4.7
133.03418	3.6
134.08118	3.9
138.03275	2.9
138.05522	7.1
140.07077	3.8
141.10249	5.0
142.08626	2.5
143.02002	2.8
144.06529	4.7
144.10211	2.6
145.05009	3.9
147.03827	1.9
152.29314	1.7
155.01865	2.5
156.06551	2.7
158.08099	2.2
158.11824	2.3
158.12914	14.9
159.08484	9.6
161.02974	5.8
162.03081	6.7
168.06555	4.7
173.02913	2.3
185.03041	2.4
186.11110	2.1
187.10867	1.9
203.03992	3.1
204.08627	14.2
204.10521	3.2
204.13741	20.4
204.15349	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.10973	1.1
53.03933	1.8
55.05511	14.9
55.28689	0.9
56.96564	1.5
57.07053	3.0
60.04515	1.5
67.05503	18.6
69.06735	1.2
69.07069	16.8
69.91151	6.7
79.05492	10.1
80.73524	1.0
81.07048	19.4
83.08618	5.9
84.04484	1.7
91.05480	25.6
91.59752	0.9
93.07046	14.0
95.04964	1.8
95.08604	48.2
97.10119	1.9
102.84940	1.1
103.05459	1.8
105.07026	64.9
107.08591	24.3
109.06499	1.7
109.10153	32.3
115.05424	1.4
117.07010	5.5
119.08577	67.4
121.10140	17.4
123.11684	4.5
128.06184	1.3
129.07022	1.6
131.08569	10.5
133.10127	99.1
134.10445	2.1
135.11668	6.3
144.09325	1.4
145.10114	13.2
146.10893	1.7
147.11682	64.7
157.10141	1.4
159.11714	10.9
160.12506	5.5
161.13254	31.1
163.71985	1.1
167.02519	1.2
173.13272	2.0
174.14053	4.4
175.14825	10.1
185.13199	1.6
188.15582	1.7
203.10645	1.9
203.14314	4.0
203.17952	100.0
204.08597	1.5
204.13843	5.7
204.18198	1.5
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.01870	1.7
55.05261	1.6
55.05507	19.8
56.96556	6.2
57.07056	3.9
60.04512	3.3
61.76040	1.3
65.03915	1.4
67.05498	26.4
68.05009	2.2
69.03406	1.1
69.07063	22.4
72.79288	0.9
74.36987	0.9
79.05071	1.2
79.05494	17.3
81.06591	1.9
81.07054	34.8
83.08595	4.1
84.04502	8.3
85.02887	1.4
85.36874	1.0
91.04897	1.7
91.05470	29.3
93.07029	25.4
93.44376	1.0
95.04965	3.2
95.08601	63.0
96.04440	1.1
97.02887	2.4
97.10149	2.6
100.02486	1.1
103.05421	1.7
105.07025	84.8
107.08593	38.7
109.02916	1.1
109.06525	1.9
109.10149	45.4
110.47418	1.0
114.05506	1.8
115.05450	1.0
117.06995	5.7
118.07844	1.1
119.08572	74.8
121.10132	24.6
123.11719	6.1
126.05491	4.8
127.03931	1.3
129.06978	2.1
131.08549	9.5
133.06456	1.8
133.10120	94.3
134.10503	1.1
135.11714	6.3
138.05434	1.8
142.07729	1.9
143.08568	2.1
145.10129	13.3
146.10774	1.1
147.08005	2.1
147.11673	68.3
157.10110	2.5
159.11688	9.8
160.12454	3.7
161.09631	2.6
161.13251	31.8
173.13284	2.6
174.13988	3.7
175.07420	1.8
175.11188	1.7
175.14821	12.7
185.09633	1.0
185.13298	2.0
188.10622	1.7
188.15669	1.3
189.11475	3.5
203.10681	3.8
203.14421	7.3
203.17949	100.0
204.08667	1.9
204.13838	8.8
204.18304	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	1.2
55.05508	18.2
57.07055	3.7
59.90765	1.0
60.04509	2.4
67.05500	31.3
69.07064	22.5
69.55353	4.7
69.55778	4.7
79.05489	15.6
81.06589	2.0
81.07056	38.3
81.62489	1.1
82.67065	1.1
83.08618	6.3
84.04469	1.3
91.05479	27.1
93.07043	25.0
94.76933	1.4
95.04940	1.5
95.08603	72.0
96.08979	1.3
97.10144	2.3
105.07028	77.1
107.08591	38.3
109.06501	2.6
109.10151	53.0
110.10486	1.2
110.24861	1.1
114.05493	1.3
117.06983	3.9
119.08578	69.2
121.10133	23.0
123.08089	1.4
123.11702	9.0
126.05500	1.5
129.07018	1.6
131.08517	5.8
133.10124	79.0
134.10529	1.4
135.11671	5.9
142.07755	1.8
145.10097	9.3
146.11038	1.3
147.11687	69.7
157.10019	1.9
159.11639	8.9
160.12450	3.4
161.13255	26.5
173.13231	1.7
174.14070	2.7
175.14758	12.2
203.06879	1.3
203.14247	4.3
203.17953	100.0
204.13823	3.7
204.18246	2.8
205.08778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.00936	1.3
53.03929	2.3
53.14045	1.3
55.05506	19.1
57.07061	3.5
61.36514	1.3
62.00665	1.4
65.03927	2.9
66.31062	1.2
67.05502	34.1
69.07065	21.9
70.91370	2.7
70.91722	1.9
79.05489	16.0
81.07050	41.6
83.08607	7.2
84.04485	3.1
91.05473	30.0
92.31980	1.2
93.07043	24.8
95.04971	2.7
95.08602	69.0
96.04457	1.5
97.10183	3.3
103.05475	1.4
105.07027	96.1
107.08586	37.1
109.10153	56.6
109.10917	2.8
115.75127	1.6
117.07002	13.1
119.08576	94.0
121.09325	1.9
121.10132	25.1
123.11723	7.1
126.05563	1.3
129.06978	1.1
131.08560	9.3
132.09343	1.8
133.10123	98.5
135.11685	9.9
138.05499	1.3
142.07735	1.9
143.08437	1.8
145.10114	12.4
146.11014	1.2
147.08067	1.8
147.11676	84.7
157.10150	4.1
159.11685	14.6
160.12460	6.5
161.09605	1.8
161.13246	41.1
173.13345	2.1
174.14049	4.0
175.14830	13.3
185.13243	2.2
192.37839	1.3
203.14342	11.6
203.17943	100.0
203.62029	1.4
204.13852	3.5
204.18280	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	2.5
55.05509	14.2
57.07068	2.2
66.12616	1.2
67.05498	38.9
69.07060	24.5
70.70963	4.0
71.08612	1.2
76.82505	1.4
79.05489	16.7
81.07050	64.6
83.08622	7.3
91.05471	25.2
93.07039	30.0
95.04945	3.0
95.08598	96.2
97.10140	2.2
102.02197	1.2
104.06341	1.4
105.07018	83.9
107.08581	42.3
109.06541	1.5
109.10147	88.9
117.07019	5.2
119.08570	79.6
121.10139	28.2
123.11684	11.7
129.07014	1.4
131.08568	5.1
133.06487	1.5
133.10115	56.8
135.11668	9.1
143.08572	1.5
145.10126	10.8
147.11674	99.5
148.12221	1.7
153.47630	1.3
159.11703	4.2
160.12422	4.6
161.09628	2.3
161.13249	28.2
167.85803	1.6
174.14102	1.4
175.14861	11.0
185.13237	2.4
189.11475	2.3
203.07034	3.0
203.14296	6.8
203.17944	100.0
204.13878	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	2.8
55.05507	17.7
57.07061	3.0
60.04501	1.4
65.03895	1.3
67.05503	39.3
69.07063	30.0
69.68159	3.2
69.68586	6.3
79.05481	16.5
81.07048	52.6
83.08612	8.3
84.04465	1.2
91.04912	1.3
91.05476	25.3
93.07038	26.0
95.04935	1.9
95.08598	84.4
97.10144	2.1
98.20852	2.7
105.07023	85.4
107.08582	37.0
109.06490	1.7
109.10149	81.8
117.06942	3.0
119.08572	77.2
121.10128	25.6
123.11682	9.6
123.12440	1.5
131.08540	6.7
133.10115	70.0
135.11673	8.5
145.10135	9.5
147.08029	3.0
147.11673	94.4
148.12117	2.2
159.11719	7.0
160.12450	5.8
161.09628	2.5
161.13251	32.2
173.13228	1.7
175.14833	11.3
185.13210	1.6
190.33725	1.5
203.07063	2.2
203.14256	5.9
203.17941	100.0
204.13832	2.0
204.18307	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.26504	0.8
53.03926	1.8
55.05504	16.5
57.07057	3.5
60.04513	1.8
65.03917	1.2
67.05177	1.0
67.05501	16.4
69.06727	1.4
69.07063	16.2
70.39816	2.8
79.05489	9.1
81.06586	1.1
81.07050	21.0
83.08610	5.2
84.04491	2.5
91.05474	21.0
93.07040	14.5
95.04984	0.8
95.08600	45.8
96.04520	1.5
97.02882	1.5
97.10140	3.2
103.05424	1.4
105.07021	62.2
106.07353	0.9
107.05001	0.8
107.08591	23.8
109.06506	0.9
109.10143	30.1
110.05923	0.8
110.10490	0.9
110.95673	0.8
117.07011	4.8
118.07790	1.8
119.08571	72.7
120.08884	1.0
121.10130	15.2
123.11685	3.6
126.05508	2.5
131.08574	9.0
133.10114	100.0
134.10423	1.8
135.11707	4.3
144.09297	1.3
145.10098	10.0
147.11673	62.4
148.12187	1.3
159.11674	9.9
159.52519	0.9
160.12485	4.2
161.13240	29.5
173.13321	1.8
174.13980	3.9
175.11143	0.9
175.14833	10.1
185.09737	0.9
189.11438	1.4
203.17938	87.5
204.13860	4.5
204.18259	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.09723	1.2
55.05513	13.4
56.96558	15.0
57.07069	2.4
60.17370	1.5
61.44428	1.4
67.05505	22.1
69.07068	16.9
70.10690	3.2
70.11084	3.3
79.05491	12.7
81.07053	25.3
83.08596	5.8
91.05471	19.6
93.07041	21.2
95.08606	63.9
97.10178	2.0
103.05446	1.4
105.07025	73.4
105.45077	1.4
107.08588	30.8
109.06490	2.8
109.10153	38.8
109.65632	1.4
117.07021	3.5
119.08576	67.4
121.10148	21.9
123.11700	7.1
131.08549	8.1
133.10124	82.0
134.10435	1.5
135.11667	5.4
145.10097	7.4
146.10713	1.5
147.10497	3.2
147.11684	62.3
159.11674	6.6
160.12465	2.7
161.13245	28.5
171.01973	1.5
173.13254	1.7
174.14040	2.5
175.14836	11.9
180.02556	6.2
181.51889	1.8
189.03062	17.6
189.53278	3.5
191.53326	1.9
198.03604	4.4
203.10677	1.6
203.14282	4.5
203.17949	100.0
204.13875	5.2
204.18242	2.1
224.04562	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03919	1.5
55.00687	0.7
55.05268	1.3
55.05507	15.6
57.07064	2.1
65.03918	1.0
67.05498	18.2
68.29806	0.7
69.07063	20.5
69.59647	7.0
79.05485	10.8
79.70562	0.8
81.06586	1.2
81.07050	23.5
83.08623	5.5
84.04485	3.6
85.02858	1.0
91.05476	26.0
93.07035	18.0
95.04975	1.7
95.08595	47.0
96.04491	1.4
97.02879	1.2
97.10141	2.7
103.05434	1.1
105.07021	76.4
107.08582	25.5
109.06496	1.3
109.10143	31.0
110.03293	0.8
115.05422	1.3
117.06988	5.5
118.07779	1.0
119.08569	71.4
121.06470	1.7
121.10130	15.4
123.11671	5.0
126.05488	2.2
128.06241	1.0
129.06987	1.8
130.07716	0.8
130.93861	0.9
131.08543	9.8
132.09326	0.8
133.10118	100.0
134.10425	2.0
135.11671	5.8
143.08510	2.3
145.10101	12.6
146.10876	1.1
147.11673	61.6
148.12173	1.0
157.10074	1.3
159.11665	11.2
160.12428	5.0
161.13235	33.6
173.13194	2.4
174.13994	4.0
175.14795	10.0
184.72780	1.0
185.13295	1.0
188.15637	2.0
203.14304	21.7
203.17934	90.6
204.08524	0.9
204.13826	2.6
204.18250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
55.01859	0.6
55.05492	0.4
56.05032	0.7
56.96563	4.1
57.03432	1.1
57.07076	0.3
58.06581	0.4
58.98023	0.2
59.04984	0.4
60.04525	2.7
61.02901	0.3
67.05507	0.5
68.05030	1.3
69.03429	0.6
69.07063	1.2
70.06587	2.0
71.04973	0.8
71.06097	0.6
71.38929	0.3
71.39252	0.3
72.04501	0.4
72.08135	1.1
73.02921	0.6
74.06091	0.4
79.05477	0.4
81.03426	0.4
81.07047	0.3
81.63486	0.2
82.06574	0.3
83.01320	0.3
83.04955	0.4
84.04510	1.5
84.08142	2.5
84.96064	0.5
85.02912	1.0
86.06047	0.3
86.09701	100.0
87.04469	0.7
87.10010	1.4
90.05546	0.6
91.05484	0.7
96.04486	1.2
97.02876	1.6
98.06062	0.9
98.97576	1.1
99.04432	0.4
99.08086	0.4
100.07684	0.3
102.05568	0.5
105.07024	0.6
110.06074	0.4
111.04486	0.3
112.07600	1.9
112.11272	0.4
114.05548	1.4
115.03941	0.5
115.05482	0.3
116.07092	0.6
116.98639	1.5
117.89069	0.3
119.01907	0.4
119.04915	0.5
121.10146	0.3
123.04550	0.3
126.05489	1.2
128.98619	0.4
130.06525	14.1
130.08641	1.0
131.06035	0.4
131.06902	0.5
132.10144	1.3
134.99669	1.4
136.11189	0.4
138.05443	0.3
140.07048	0.4
143.03403	0.4
144.06567	0.7
146.99661	0.7
147.04434	1.2
149.01227	0.3
150.00696	0.3
156.06706	0.4
157.07608	20.1
157.13322	0.4
158.08112	4.4
158.11720	0.4
158.12907	0.7
161.01161	0.4
161.02954	0.4
161.09697	0.4
162.05545	0.4
164.05177	0.4
165.00754	0.4
168.06461	0.4
175.07478	0.3
177.00723	0.3
185.07162	1.1
186.07545	0.3
203.03522	0.4
203.05327	0.6
203.08182	8.9
203.10489	0.8
203.13989	1.5
204.08646	1.3
204.13770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.139
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03946	1.0
55.05505	1.7
56.05035	1.1
56.96560	3.0
57.03429	0.7
60.04522	10.0
61.31677	0.7
68.05025	1.7
69.03424	2.2
69.07078	0.9
70.06586	2.4
71.06120	1.0
71.08797	1.7
72.04505	1.4
72.08152	2.8
74.06053	0.7
75.22694	0.7
81.03376	0.9
84.04498	2.3
84.08136	2.4
85.02894	1.6
86.06055	1.0
86.09701	100.0
87.04446	1.9
87.10013	1.0
91.05470	1.3
96.04499	3.0
97.02888	4.8
98.06032	2.5
99.04501	0.8
99.06366	1.3
100.02181	1.5
101.01691	1.3
103.55962	1.0
105.07055	1.4
110.06049	0.9
112.07599	1.8
113.65757	1.0
114.05532	2.9
119.04929	0.8
126.05504	2.1
128.07042	0.9
130.06519	1.9
130.08636	1.1
132.10196	64.3
138.05507	1.4
141.11060	1.4
143.03360	1.0
144.06668	0.8
157.07596	3.2
157.13374	7.6
158.08141	2.5
158.11765	2.8
159.12079	6.2
161.01138	1.1
161.09592	1.2
168.06606	1.4
175.07539	1.0
185.09457	0.8
203.05315	1.2
203.08443	0.9
203.10643	1.6
203.14026	3.2
204.08714	2.1
204.13910	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	203.1065
Annotation	Demethoxyencecalin
Peak:m/z	Relative Intensity
53.03934	1.0
55.01870	1.5
55.05499	2.2
56.96560	0.9
58.53310	0.8
60.04501	1.5
65.03916	0.9
67.05498	4.6
69.03403	0.8
69.07066	5.5
70.06587	0.9
71.57235	1.2
79.05492	6.8
81.07051	8.4
83.37419	0.8
84.04498	1.5
91.05480	9.6
93.07040	6.1
95.04929	1.7
95.08606	13.2
96.04488	0.9
97.02879	1.5
102.04686	1.7
103.05461	3.2
105.07029	19.5
107.08580	7.0
109.06513	1.3
109.10145	8.0
115.05441	14.5
117.06995	5.7
119.07796	1.4
119.08573	15.7
121.10163	4.8
121.10957	1.0
123.11726	1.1
128.06216	56.5
129.07039	4.3
130.04082	4.7
130.06509	1.2
131.04900	5.8
131.08502	2.4
132.05698	1.7
132.09299	0.9
133.10120	13.9
135.11688	2.2
137.05962	7.3
141.07016	4.1
142.07745	3.4
143.04932	8.1
143.08551	57.8
144.05672	2.9
144.08997	1.3
145.06461	10.6
145.10139	6.3
146.03596	2.4
147.04391	10.4
147.08018	3.1
147.11679	17.5
152.06198	2.2
153.07005	4.2
155.06026	3.0
156.05643	1.1
157.06458	1.5
157.10115	2.5
158.08096	1.0
159.04446	5.7
159.08015	2.1
159.11682	2.7
160.05183	14.5
160.08823	2.3
160.12439	1.7
161.05963	9.2
161.09569	1.0
161.13268	6.0
162.06750	23.0
170.07202	1.5
171.08041	62.8
172.08676	2.6
173.05972	5.9
173.13254	1.1
174.06752	24.8
174.14087	0.9
175.07532	43.6
175.11133	1.6
175.14841	1.7
181.07445	0.8
185.09738	1.0
185.13193	1.7
187.82005	0.8
188.04625	1.5
188.08308	23.1
203.06961	5.9
203.10655	100.0
203.14323	4.6
203.17932	19.8
204.10977	2.7
204.13847	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.01868	1.6
55.05504	2.7
58.99585	5.0
59.05006	1.0
60.04525	1.2
61.01149	0.5
65.03933	1.1
67.05508	1.1
69.03421	1.1
69.07056	1.2
71.57080	0.6
73.01141	0.6
76.02226	1.5
79.05492	6.1
81.07056	5.2
83.08585	0.8
84.08129	0.7
85.02892	0.6
86.99039	2.5
89.02921	0.5
91.05476	3.7
93.07011	1.3
95.04973	1.5
95.08609	2.1
96.04483	0.7
97.02876	0.8
100.11247	5.9
100.67017	0.6
102.04659	0.6
103.05480	4.6
105.00084	0.9
105.07034	4.8
107.08565	1.7
109.10118	1.0
115.05435	15.9
117.07004	4.7
119.08584	6.2
121.06552	0.8
121.10142	1.1
123.04446	0.8
124.05181	1.0
127.05418	1.1
128.06216	100.0
129.07076	4.8
131.04924	8.3
131.08563	1.5
132.05681	1.8
133.06479	2.3
133.10133	3.0
134.91882	0.5
137.05983	2.7
141.06973	4.8
142.07758	4.5
143.04944	4.6
143.08553	85.8
144.05739	3.0
144.08904	1.8
145.06473	19.1
145.10143	3.4
146.03635	1.4
146.07278	1.4
147.04396	2.1
147.08069	4.1
147.11665	2.4
152.06213	2.8
153.07007	3.6
155.04924	1.0
155.06038	5.4
155.08563	0.8
156.05688	2.0
156.09387	0.9
157.06468	3.2
157.07639	1.2
157.10133	2.8
158.07176	0.9
158.09981	2.3
159.04399	12.9
159.08034	2.9
159.11685	1.6
160.05185	19.2
160.08827	5.1
161.06026	3.9
161.09616	2.4
161.13318	0.9
162.06750	3.3
170.10918	2.4
171.08043	75.2
172.08812	7.1
173.05978	13.9
174.06757	49.8
175.07539	48.0
175.08751	0.5
175.11142	2.5
175.14909	0.8
178.94746	0.5
181.07655	0.7
185.09622	1.4
185.13300	1.7
187.07841	3.1
188.08310	52.7
189.08670	1.3
203.06956	3.6
203.10657	95.1
203.14241	3.8
203.17970	1.6
204.08731	0.9
204.10823	2.7
204.13770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
55.01860	1.6
55.05492	5.9
57.03416	3.4
57.07053	1.4
60.04517	6.9
65.03916	1.7
67.05506	8.9
68.05027	1.7
69.03397	5.1
69.07064	6.9
70.38692	4.6
72.08142	5.0
79.05492	8.2
81.03431	1.6
81.07047	14.5
83.08597	3.2
83.95695	1.2
84.04481	4.8
84.08117	2.7
85.02850	1.2
85.06484	1.3
86.09681	3.6
88.52315	1.2
91.05473	16.4
93.07027	10.8
95.04936	4.0
95.08597	23.7
96.04483	1.6
97.02873	2.1
97.10184	1.4
102.04701	1.3
103.05429	3.0
105.07023	26.8
107.04927	1.4
107.08588	14.7
109.06499	2.3
109.10138	17.4
112.07561	1.4
112.11218	1.5
114.05534	3.3
115.05443	13.6
117.06994	6.2
117.25458	1.3
119.04913	2.5
119.08572	29.4
121.10120	11.0
123.11694	2.1
126.05498	3.4
128.06215	53.2
129.07021	8.7
130.04115	5.3
130.06516	11.0
131.04926	6.5
131.08545	5.7
132.05650	1.6
133.06404	2.0
133.10100	24.6
135.08063	1.4
135.11658	3.6
137.05959	5.3
141.06952	4.1
142.07747	5.4
143.04887	5.6
143.08551	56.6
144.05655	2.2
145.06458	10.8
145.10130	8.9
146.03540	1.8
147.04385	10.8
147.08023	5.7
147.11676	25.9
152.06186	2.0
153.06970	4.6
155.06018	3.7
157.06459	2.7
157.07591	13.3
157.10150	7.9
158.08167	3.1
159.04390	5.2
159.08060	3.1
159.11638	3.7
160.05188	17.8
160.08713	3.0
160.12393	2.3
161.05942	11.3
161.09682	9.7
161.13243	12.6
162.06734	24.3
166.10451	2.4
168.06607	1.6
170.07063	1.3
170.10831	1.5
171.08038	62.9
172.08691	4.3
173.05960	6.8
174.06781	22.2
174.09111	1.4
175.07542	55.3
175.11119	4.0
175.14824	5.1
185.09605	3.3
185.13268	4.2
188.04655	3.8
188.08315	22.2
203.06664	8.1
203.08609	3.4
203.10654	100.0
203.14217	13.5
203.17955	27.0
204.10983	2.5
204.13771	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	203.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28274	0.5
53.53263	0.4
55.01860	2.1
55.05491	0.7
56.05035	4.4
56.96562	15.6
57.03435	6.1
57.04574	0.5
58.06601	0.9
58.99846	0.6
59.04986	1.0
60.04512	1.8
61.02922	2.5
61.77161	0.4
65.03927	0.5
67.05505	2.2
68.05006	0.8
69.03423	3.4
69.07058	1.3
69.82050	0.8
69.82457	1.8
70.06590	24.4
71.01336	0.5
71.04991	3.7
71.06113	6.8
71.95271	0.7
72.08150	7.0
73.02913	5.9
74.06057	1.2
74.97589	1.0
77.00859	0.5
78.34344	0.5
79.05486	1.0
81.03415	1.0
82.06576	0.9
83.01327	0.4
83.04991	1.0
84.04498	3.1
84.08138	37.3
84.96011	0.8
85.02892	5.4
85.08456	0.5
86.03674	0.5
86.06054	1.9
86.09698	13.3
88.03979	0.5
88.07630	0.8
88.08755	6.5
88.99139	0.6
91.05466	1.5
94.06564	4.3
95.04952	1.9
96.02383	0.5
96.04485	0.7
96.08112	1.3
97.02895	4.6
97.06523	0.6
98.06050	4.7
98.97579	6.8
99.04440	1.0
100.07595	1.5
101.00879	2.7
101.01732	3.5
101.02318	0.7
102.02426	0.8
102.05534	5.6
102.96970	0.5
103.02421	0.5
105.00399	0.5
109.02827	0.7
110.97570	1.2
111.02906	1.2
111.51901	0.4
111.53655	0.6
112.07601	43.7
112.11233	0.6
113.02406	0.5
113.07926	0.5
114.05515	1.5
115.08684	1.4
116.07086	9.9
116.98611	6.9
119.01910	14.2
119.04938	1.5
120.02036	0.7
120.52304	0.6
121.01657	3.5
122.06016	1.5
123.02892	0.6
126.03402	0.5
126.05484	1.0
126.10225	0.6
127.01523	0.6
127.03906	1.4
128.02292	1.7
128.07066	1.6
128.98642	2.3
129.02974	0.5
129.10277	0.6
129.13889	0.5
130.03635	0.5
130.04947	0.5
130.06525	2.8
130.08623	8.8
131.00230	0.7
131.01883	2.8
132.03419	0.7
132.10210	1.6
133.01665	1.2
133.03455	0.9
133.09732	1.1
134.08109	0.5
134.51274	0.4
134.99654	5.6
136.03618	0.4
137.02957	2.9
138.03392	1.5
138.05519	1.0
139.02678	2.8
140.07065	5.6
140.14316	0.5
140.53854	0.4
142.01775	0.4
142.03468	0.6
143.00175	0.7
143.01857	3.5
144.03391	1.2
144.06534	3.3
145.03430	1.9
146.01186	1.1
146.99669	2.7
147.04436	3.5
149.01199	1.5
149.02940	0.8
151.02733	0.6
153.00713	1.9
153.04013	0.6
155.01886	2.1
157.03467	1.7
157.07600	6.4
157.09653	0.8
158.01299	0.7
158.08118	100.0
158.12854	6.6
158.99698	0.9
159.08481	1.0
160.02859	0.7
161.01227	1.3
161.02939	13.2
162.03076	1.1
162.04457	0.5
165.00679	0.7
167.02110	0.6
172.10796	1.6
173.01433	0.8
173.02933	4.9
175.02869	0.5
175.04541	1.2
177.00708	1.4
179.02335	0.5
179.04024	0.9
184.04543	0.9
185.02971	2.1
185.09273	1.8
186.07732	0.5
189.00697	1.2
191.02292	0.5
191.03975	0.9
193.00285	0.5
195.01756	0.7
201.00674	0.6
203.02271	0.8
203.03995	1.9
203.08142	2.2
203.10265	11.1
203.15089	6.9
204.08577	0.5
204.13464	3.4
205.78848	0.4
215.03976	0.5
219.01746	0.7
221.03246	1.2
221.05058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	1.2
55.05510	8.9
56.04789	1.4
56.05037	19.5
56.96566	2.0
58.99588	35.2
67.05504	1.1
68.05021	2.4
69.09264	0.8
70.06586	2.0
70.99570	1.4
71.56973	1.6
74.00660	1.5
76.02226	7.1
79.05495	32.8
80.05022	1.0
81.07058	19.6
81.38786	0.8
82.06187	1.0
82.06586	10.9
85.01130	100.0
86.00655	16.7
86.01444	1.3
86.09745	1.0
86.31678	0.9
86.99048	18.9
87.02698	1.4
88.02203	3.5
88.03981	2.7
91.05476	1.1
95.04970	2.5
96.08161	2.0
97.01154	1.4
97.08905	6.4
98.09698	27.3
99.72421	0.8
100.02201	1.5
105.00096	8.4
105.07014	1.6
108.08095	0.9
109.85070	0.9
109.85935	0.8
110.09632	1.8
113.04230	33.7
115.05467	1.0
120.01162	1.3
122.07102	1.0
122.09648	3.0
131.01569	1.7
132.01161	10.8
134.07245	1.1
139.05742	1.4
145.10228	1.2
156.08421	7.5
159.04765	1.2
160.07605	7.5
161.08202	1.1
161.11990	0.8
162.08965	1.0
170.06000	1.4
185.06302	3.1
197.01163	1.0
202.08963	7.4
215.02257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05503	0.4
56.96564	0.3
60.04514	0.4
63.02384	0.2
67.05505	0.5
69.03424	0.3
69.56320	1.3
70.06581	0.2
79.05496	0.4
81.07059	0.6
84.08134	0.3
86.09699	1.0
87.00772	0.2
91.05469	1.1
93.07046	0.4
95.04958	0.3
95.08612	0.3
97.24733	0.2
98.20716	0.2
105.07039	1.1
107.08570	0.6
115.05453	3.7
116.04958	0.2
117.05746	3.5
117.07008	1.2
118.06538	1.8
118.96755	0.3
119.08592	0.6
128.06219	0.2
129.06982	1.1
130.04109	0.3
130.06516	9.0
131.08572	2.0
132.08081	49.6
133.08432	0.7
133.10184	0.3
134.99684	0.2
140.04958	0.4
141.06958	0.4
142.06512	7.5
142.07628	0.3
143.07332	0.5
143.08511	0.4
145.06502	0.7
145.10126	2.5
155.08502	0.5
156.04385	0.2
156.08061	2.0
156.10097	0.2
157.07643	0.3
157.10124	1.1
158.03624	0.6
158.07249	0.3
158.08394	3.4
159.09164	100.0
160.07574	7.9
160.09512	2.3
173.05940	0.9
173.09587	0.2
173.13200	0.9
177.98143	0.2
182.13570	0.2
183.09161	0.8
183.11713	0.6
184.07538	2.4
186.06799	0.4
186.10262	0.2
201.05455	1.6
201.10225	7.2
201.12709	2.0
201.16356	1.6
202.10706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.4
56.96560	16.5
57.07071	3.5
58.06567	0.8
62.06079	2.4
65.03095	0.4
65.03942	2.5
68.99754	0.5
71.08597	1.2
71.57747	0.6
74.00636	0.3
74.97607	0.7
81.03399	0.5
83.57327	0.4
85.10138	0.5
91.05463	0.4
92.98611	0.6
105.06987	0.9
105.99918	0.3
110.06029	0.4
111.04379	0.7
115.92869	0.5
115.93721	0.4
117.06929	0.5
119.08505	0.4
124.00996	1.3
131.08578	0.6
132.00401	0.7
137.02568	0.5
145.02208	0.5
145.10075	0.7
146.00197	2.0
146.01224	0.9
146.10425	0.6
147.00999	0.4
150.01485	5.5
150.51682	0.6
151.02292	0.4
152.06177	0.4
155.00641	0.6
155.01741	3.1
155.51990	0.5
156.01570	0.6
157.02274	2.6
159.02020	15.5
159.52217	3.0
160.02728	1.5
160.11986	0.9
161.00633	3.6
161.01811	0.4
161.50955	0.9
161.52254	1.0
162.02536	0.4
164.01225	14.6
164.51408	2.5
165.02034	1.9
165.06931	0.7
165.52252	0.5
166.02815	9.2
166.52940	1.3
168.02544	1.8
168.05661	0.8
168.52989	1.2
169.03273	0.8
170.01199	2.0
170.51395	0.4
170.52786	0.9
173.01772	38.6
173.51973	5.8
174.02556	11.7
174.52696	1.5
175.03368	1.0
175.52017	3.0
175.53296	0.4
176.52805	0.9
177.53625	1.7
179.01750	13.4
179.51930	2.7
181.06528	2.0
181.51985	0.7
182.02267	7.2
182.52507	1.1
183.03084	4.3
183.53169	0.9
184.20566	2.7
184.52573	5.3
185.02686	0.8
185.53363	2.5
186.03493	0.5
187.53159	0.6
188.02290	100.0
188.52466	17.0
189.02492	1.3
190.52502	5.0
191.02710	2.0
194.53865	0.4
195.03006	0.6
196.05101	0.5
197.02818	20.2
197.53029	4.6
199.03993	0.8
199.53090	25.7
200.03242	4.2
202.03415	1.4
202.08861	0.4
202.10780	1.2
202.16655	1.2
202.21648	17.3
208.53629	2.1
209.03874	0.5
209.06007	0.7
211.03928	2.0
211.53987	0.6
224.04657	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	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03929	3.7
55.01859	2.8
55.05504	9.9
56.05033	10.2
56.96565	13.3
57.03435	31.3
60.04492	1.8
67.05479	5.6
68.05004	4.1
69.03422	12.3
69.07063	31.4
69.93521	2.5
69.93939	6.1
70.06585	21.5
71.04964	3.3
72.04486	1.7
72.08138	4.6
74.06097	1.6
75.56027	1.6
76.14867	1.5
77.91451	1.3
79.05486	13.9
81.06599	1.5
81.07050	29.7
82.06567	4.0
83.06096	1.6
84.04500	32.0
84.08153	9.3
85.02895	9.0
86.06062	66.0
86.09696	18.2
87.04461	100.0
91.05455	2.2
94.06533	2.2
95.04961	1.8
95.08586	7.8
96.08112	7.1
97.02951	1.4
97.06522	59.4
98.06026	4.1
98.09682	6.7
98.21397	2.4
98.38633	1.2
98.97575	11.7
99.07487	2.2
99.08083	27.6
100.07599	4.8
102.05537	10.5
104.03410	1.4
104.07125	9.4
105.48182	1.4
108.08097	2.5
109.06516	1.3
110.06026	3.5
110.09657	6.1
112.07606	8.9
114.05473	1.7
114.09156	43.5
116.10700	4.3
116.98615	13.8
119.01889	3.3
124.07566	2.6
126.09129	6.4
128.07040	5.8
128.98523	1.3
129.10217	1.5
134.99623	14.8
135.74005	1.5
136.07542	1.5
136.11241	2.1
137.02914	2.4
137.05949	6.7
138.09122	11.3
140.07036	3.2
141.10132	1.9
142.08633	10.4
146.99652	2.6
152.10660	1.4
153.00684	3.7
154.04854	1.4
154.08640	10.0
154.12225	5.7
156.10179	12.4
157.10898	2.1
158.08102	4.0
164.10789	2.9
172.09650	5.1
172.13284	2.3
176.02309	1.8
182.11752	6.3
200.10776	2.7
200.12788	57.6
200.19061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01858	2.5
55.05503	8.6
56.05028	16.4
56.96296	3.0
56.96561	43.3
57.03160	2.1
57.03435	33.4
59.06104	1.6
59.42652	1.4
60.04510	2.6
60.05635	3.2
60.53786	1.5
65.03954	1.8
67.05505	8.5
67.05799	1.5
68.05018	7.9
69.03429	16.0
69.06726	2.2
69.07065	30.7
70.02950	1.4
70.06254	2.4
70.06591	28.4
70.26000	7.5
70.98112	2.1
71.04962	3.0
71.95254	2.6
72.04499	2.9
72.08126	5.4
73.02891	1.5
74.06050	2.5
79.05499	13.6
80.05012	2.8
81.07053	31.5
82.06560	6.7
82.94841	1.9
83.06099	3.3
84.04500	49.6
84.08142	16.3
84.96021	2.3
85.02905	13.2
86.06061	77.0
86.09698	29.0
87.04464	100.0
87.32688	1.5
91.05472	2.2
92.03571	1.5
93.07013	2.2
94.06574	3.9
95.08607	5.6
96.08125	13.6
97.02844	3.8
97.06523	63.7
98.06054	6.3
98.09684	10.5
98.97575	30.3
99.08089	28.7
100.07596	3.9
101.00818	2.7
102.05535	12.3
104.07093	10.4
104.07720	1.5
108.08154	2.6
109.15540	1.7
110.05997	4.5
110.09634	7.6
110.65646	1.5
112.07587	7.3
112.11302	1.8
113.07126	1.6
114.09164	49.0
116.00195	1.6
116.10738	6.0
116.98611	35.8
117.98933	2.7
118.03513	3.2
118.96770	1.7
119.01926	16.2
120.02006	3.3
124.07548	3.9
124.11204	2.7
126.09132	6.8
128.07042	5.9
128.98599	2.8
129.10207	4.4
131.01854	3.8
132.20598	1.7
134.99644	44.8
136.04544	4.7
136.06163	5.3
136.07588	3.4
136.11186	3.1
137.02965	13.2
137.05969	8.2
138.09120	13.5
140.03375	2.5
140.07074	2.1
142.08626	12.9
144.99821	3.2
145.06458	1.9
146.99667	4.4
149.02953	3.1
152.10648	1.5
153.00690	13.8
154.08617	14.5
154.12257	8.7
156.10187	15.7
157.10945	3.3
158.01237	4.5
158.04562	2.4
158.08084	2.5
158.99612	4.0
160.04588	2.1
161.01273	1.6
161.02806	1.5
164.10735	5.3
165.00665	1.8
165.07605	1.7
168.01408	2.1
170.11980	2.1
172.04527	2.3
172.09673	7.5
175.11897	3.4
176.02328	3.9
176.03938	2.0
176.98534	2.0
177.00716	8.0
177.02315	2.5
177.97964	1.6
182.11729	5.9
183.08487	7.5
194.03357	1.9
200.02219	1.7
200.03999	3.6
200.07513	2.3
200.12805	71.3
200.19086	3.2
201.02414	3.9
201.13101	1.6
218.05084	2.7
219.03471	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.01844	3.1
55.05504	10.2
56.05029	11.9
56.96560	45.3
57.03432	30.9
57.07055	1.2
58.06583	2.0
60.04513	2.0
60.05630	3.3
60.08073	1.1
60.95819	1.8
65.03925	1.5
67.05499	6.9
68.05008	5.3
69.03430	12.7
69.07063	31.3
69.21315	1.2
70.06590	33.3
70.11715	4.7
70.98124	1.5
71.04975	4.2
71.08589	1.3
71.95247	2.5
72.04504	3.1
72.08150	9.2
72.93819	1.3
73.02903	2.6
74.06065	1.8
74.09690	4.0
77.00906	1.1
79.05136	1.1
79.05486	11.8
80.05029	1.1
81.03419	2.0
81.05824	1.1
81.06591	1.6
81.07050	31.7
82.06585	6.2
83.06073	2.8
84.04498	42.5
84.08131	14.0
84.96012	2.6
85.02901	9.8
86.06061	71.3
86.09216	1.7
86.09700	21.9
87.04462	100.0
91.05472	3.3
93.07039	2.7
94.06541	3.6
95.04949	2.1
95.08593	6.1
96.04505	2.5
96.08118	12.2
97.02893	2.8
97.06521	67.1
97.99268	1.6
98.03558	1.3
98.06026	4.2
98.09695	9.9
98.97581	24.5
99.08089	26.9
100.07623	6.1
102.05537	12.1
104.07097	10.3
105.05482	1.2
108.08104	4.4
109.05096	1.3
110.01244	1.3
110.06013	3.6
110.07142	1.3
110.09634	4.2
111.04443	2.0
112.07578	10.6
114.05521	1.3
114.09158	51.0
116.00217	2.7
116.01247	1.2
116.07066	2.0
116.10732	2.7
116.98604	33.6
117.98956	1.6
118.03481	2.6
119.01879	11.7
120.02024	3.6
120.08109	1.6
121.01595	1.1
122.06002	1.9
122.09665	2.1
123.06637	1.3
124.07570	3.4
126.05473	1.5
126.09109	7.5
126.17984	1.2
128.02293	2.1
128.07071	6.6
128.98595	1.8
129.10197	4.5
130.03546	1.7
130.04984	1.2
130.09673	1.3
131.01903	3.2
133.01556	1.2
134.01219	5.3
134.99644	57.4
135.99968	1.3
136.04539	3.7
136.06163	5.1
136.07541	3.2
136.11195	3.2
137.02937	6.8
137.05957	8.1
138.03012	1.3
138.09126	12.7
140.02277	1.3
140.03348	2.9
140.07021	2.9
140.98509	1.5
142.08617	10.4
144.99829	2.5
146.99611	4.3
149.01227	2.1
149.02940	1.4
149.88605	1.1
150.00723	1.8
152.02377	2.0
152.07014	1.4
152.10707	1.5
153.00700	19.0
153.07457	1.7
154.08609	16.9
154.12245	7.9
154.15907	1.4
155.11826	1.3
156.06546	1.3
156.10168	13.3
157.10950	4.0
157.97917	1.8
158.01222	7.0
158.04500	2.8
158.08096	4.1
158.99649	3.4
161.01204	1.8
162.99072	1.5
164.10695	3.2
165.00690	2.5
167.04414	1.9
168.01418	2.4
170.11775	1.4
172.02780	1.6
172.04480	2.3
172.09595	6.2
172.13329	2.1
172.95264	1.4
174.04311	1.7
175.11909	3.0
176.02319	6.0
176.03879	1.8
177.00684	7.6
177.02455	4.3
182.04512	1.5
182.08112	2.0
182.10350	1.2
182.11751	8.1
183.08524	6.0
183.11208	1.7
190.03914	1.3
190.05548	2.2
190.98705	1.6
194.03387	2.2
195.03351	2.3
199.18877	11.1
200.02251	2.1
200.03928	3.0
200.07440	2.3
200.09096	3.7
200.12794	63.2
200.19070	2.1
201.02396	1.7
204.97841	1.7
218.03282	2.2
218.05132	3.6
219.03474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.148
Annotation	CADALENE
Peak:m/z	Relative Intensity
52.14677	0.6
52.57129	0.5
53.03930	1.5
55.01858	0.5
55.05503	6.2
56.90308	0.6
56.96566	2.7
57.07072	1.9
67.05499	2.1
69.03422	0.7
69.07064	6.2
70.07376	0.6
71.57707	0.8
72.04520	0.8
74.09718	5.0
75.45123	0.5
79.05492	6.2
81.07043	2.3
83.04968	0.8
83.08620	2.5
84.08954	0.7
91.05477	10.5
93.07043	12.5
95.04984	2.9
95.08604	0.6
98.10506	0.7
100.07616	1.7
100.40559	0.6
103.05451	1.0
105.04482	0.7
105.07023	22.7
106.03094	0.5
107.08579	7.4
111.04445	2.1
115.03940	0.6
115.05431	2.2
116.97221	4.7
116.98599	0.7
117.06992	1.9
119.08572	22.9
121.10115	1.3
125.06760	0.6
128.06212	13.4
129.05571	0.6
129.07007	14.1
130.07799	0.6
131.08597	3.6
131.99570	0.9
133.10146	1.8
134.99701	0.7
140.04666	0.6
141.06979	6.9
142.07771	31.8
143.08554	44.5
144.09274	2.2
145.06500	0.9
145.10089	3.4
148.96172	0.7
152.96950	1.9
154.07750	1.0
155.08551	10.8
156.09344	19.7
157.10121	75.7
158.07256	0.8
158.10858	2.9
159.11713	0.8
169.08998	0.3
169.10118	18.4
170.10925	12.3
171.11681	27.4
172.11964	0.7
175.98555	2.4
183.11694	1.6
184.12471	24.2
197.13245	1.5
199.11073	2.0
199.14818	100.0
199.18823	21.9
200.15150	2.7
202.06622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	1.5
55.05505	8.1
55.05756	0.7
55.98808	0.4
56.05018	0.7
56.96560	61.2
57.03436	1.6
57.07070	5.5
58.06596	0.7
60.95853	0.6
61.02910	0.7
65.92596	0.5
67.05497	1.6
68.05018	0.4
69.03427	1.4
69.07060	6.0
69.91200	0.9
69.91616	1.9
70.06587	1.9
70.95845	0.6
70.98117	0.7
71.01355	0.5
71.04974	0.9
71.08621	1.7
71.95264	0.6
72.04514	1.7
72.08156	1.7
72.93803	0.6
73.02906	1.6
74.97604	1.0
79.05478	1.7
81.03416	1.3
81.07047	1.9
82.05332	0.5
82.06572	1.4
82.79914	0.4
83.04982	0.7
83.06070	0.7
83.08609	5.2
84.04504	0.5
84.08130	0.9
84.96034	0.9
85.02894	1.5
86.06058	1.8
86.09687	0.6
87.04488	0.5
88.99153	1.0
89.08327	0.4
91.05480	1.0
92.01296	0.5
93.07037	2.4
94.51587	0.5
95.04958	0.8
95.06098	0.7
95.08608	1.7
96.04457	0.5
96.08138	1.0
97.02880	1.1
97.06507	1.3
97.10170	3.0
97.99223	0.6
98.06013	0.5
98.97582	4.6
100.07616	1.4
102.02505	0.4
103.02487	0.4
106.06564	0.5
107.04959	1.9
107.08591	0.9
108.04464	1.4
109.02889	0.5
109.05134	0.5
110.01286	0.9
110.06041	0.8
110.97559	5.6
111.04436	1.1
112.03990	0.5
114.09180	1.0
116.00253	0.6
116.97249	0.6
116.98611	3.8
117.01981	0.6
119.01872	2.0
121.06454	0.7
121.10139	0.7
123.04459	0.4
124.03938	0.5
124.07612	0.4
125.01796	0.5
126.02577	0.5
128.02332	0.6
128.98601	17.1
131.01804	0.7
131.04755	0.5
131.97510	0.4
133.03427	0.8
133.98880	0.5
134.01253	0.7
134.06020	0.6
134.99663	5.9
135.03001	0.5
135.04393	1.6
135.11708	0.4
136.07593	0.5
137.02962	0.9
137.05942	0.8
139.03897	1.7
139.04918	0.4
142.96495	1.0
145.01714	0.4
146.99640	30.9
149.01140	0.7
149.02844	0.5
150.96861	0.8
151.96971	0.7
152.07037	4.6
152.10660	0.5
153.00684	0.7
156.98044	2.2
158.99673	0.6
160.97601	3.0
161.01221	1.1
162.07803	0.7
162.99138	0.4
163.02754	0.9
163.03996	0.6
163.06110	0.9
165.00711	10.1
166.12289	0.9
166.45200	0.4
170.01271	1.0
170.03050	0.4
174.00694	2.0
174.96809	1.1
174.99129	27.0
177.00655	1.6
178.98605	1.0
180.02919	1.3
180.06441	0.5
180.08781	1.0
184.02809	0.4
188.02338	0.5
191.02122	0.5
192.01781	0.8
193.00195	87.9
194.00591	0.9
195.01889	0.5
198.00697	2.6
198.05797	0.6
198.07506	1.0
198.18515	100.0
199.18793	0.5
211.01225	10.8
216.01797	4.1
219.01862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0759
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03937	1.1
55.01865	1.4
55.05503	6.5
56.96552	1.8
57.07069	5.0
58.06600	0.5
65.03928	1.2
66.27592	0.4
67.05485	1.4
68.05022	1.5
69.03412	0.7
69.07062	7.7
70.06564	1.1
71.02636	1.5
71.08615	1.4
71.77528	0.5
72.04481	0.6
72.08152	1.3
72.89232	0.5
74.02436	2.6
79.05488	6.3
80.04997	2.1
81.03407	0.8
81.07069	2.3
82.06565	1.2
83.04976	1.2
83.08616	6.1
84.04512	0.6
84.08121	0.5
86.06055	1.3
86.09690	0.7
88.47491	0.4
91.05474	1.6
92.05067	0.5
93.03403	0.9
93.07032	1.2
94.06558	0.9
95.04965	1.2
95.08591	1.8
96.04482	0.5
96.08121	1.3
97.06519	1.6
97.10178	3.3
98.97573	1.0
100.07607	1.6
101.04141	0.5
106.06549	9.3
106.07271	0.9
107.04953	20.2
107.08563	1.3
108.04517	0.5
108.08095	0.6
109.02850	1.0
110.06081	0.8
110.09634	0.8
111.04440	4.3
111.08092	1.1
114.09195	0.6
116.97222	0.6
116.98589	0.8
118.06560	2.3
119.04909	0.6
121.10164	0.8
124.03971	1.1
124.07584	1.9
124.08643	0.4
124.11153	0.5
125.06065	1.2
126.71784	0.5
134.06013	9.4
134.99644	1.2
135.04408	26.1
136.07578	0.9
138.05467	0.5
139.03915	5.9
150.96808	0.7
152.07059	42.6
153.07382	0.7
162.05469	0.5
163.03900	2.1
168.96394	0.5
174.00758	0.6
180.06546	6.6
181.04982	3.1
182.08235	0.5
189.18895	0.5
198.05817	0.7
198.07587	7.6
198.18524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
50.43223	1.9
53.03942	2.6
54.37838	2.1
55.01864	5.5
55.05508	28.7
56.96560	27.6
57.03433	3.8
57.07070	11.0
67.05500	43.2
69.03421	3.2
69.07060	29.6
69.55681	13.9
70.95866	13.0
71.01343	2.6
71.04974	15.0
71.08614	4.3
72.08143	2.7
72.93784	6.7
73.06522	2.3
79.05483	24.7
81.03408	9.4
81.07049	66.6
81.07523	3.3
83.04979	6.5
83.08615	20.1
85.06533	16.7
88.96888	3.2
90.94838	2.8
91.05477	26.7
93.07034	27.2
95.04947	6.6
95.08596	78.2
97.02888	3.1
97.06511	32.1
97.10139	5.7
98.20850	3.0
99.04416	2.4
99.08054	3.0
105.07015	28.1
107.08589	21.0
109.06548	4.0
109.10145	11.1
111.08088	7.2
111.98472	8.9
115.05373	2.2
117.07023	4.3
118.77901	1.9
119.08574	28.7
121.06529	2.9
121.10145	5.9
123.04462	4.0
123.08063	7.9
123.11662	4.6
129.07008	3.2
129.99484	5.9
132.95844	8.5
133.10112	32.8
135.11668	18.2
137.05991	3.2
137.09612	5.8
137.13249	15.4
141.06964	4.0
150.96881	36.3
151.03879	5.0
151.11205	4.5
153.06943	2.5
154.07741	2.6
155.08595	6.5
155.97412	9.0
157.52768	2.4
161.09595	4.5
161.13263	31.3
167.08574	3.1
169.08713	3.2
169.10117	4.2
173.98486	24.5
174.04393	6.2
179.08519	2.2
179.09183	2.2
179.10690	18.6
179.14272	19.9
180.06635	2.6
182.10913	4.8
183.04932	4.3
185.10065	2.5
197.00092	3.3
197.05936	5.3
197.09673	4.0
197.11702	8.6
197.13248	11.2
197.15378	11.0
198.11345	2.6
198.18510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01856	3.0
55.05504	10.8
56.96548	2.5
57.03418	1.0
57.07060	3.3
59.04982	4.2
67.05510	10.2
69.03413	4.6
69.07053	3.4
69.46157	2.9
69.46582	5.5
70.95862	6.7
71.01330	1.6
71.04977	1.4
72.07642	1.0
72.93771	4.3
79.05500	10.9
81.03401	2.8
81.07055	14.0
83.04965	4.7
83.08628	1.4
85.06525	2.5
88.03615	1.1
88.96902	2.3
89.83015	0.9
90.94810	1.2
91.05474	30.5
93.06485	1.8
93.07046	29.5
95.04972	15.0
95.08607	10.8
97.02872	1.9
97.06519	2.9
98.97573	1.4
99.04430	3.6
99.08053	1.2
105.03431	1.9
105.07030	46.2
107.04977	2.3
107.08592	81.1
108.95831	1.1
109.06509	10.9
109.10159	9.7
111.08101	1.8
111.98498	6.3
113.08226	3.7
115.05445	1.5
117.07018	1.7
119.04942	3.5
119.06019	1.9
119.08578	10.3
121.06498	7.5
121.10111	4.6
123.04445	7.6
123.08051	4.7
123.11684	3.9
125.05994	10.1
127.03911	4.2
128.06168	1.3
129.99496	4.3
131.08559	4.4
132.95804	5.9
133.10129	82.4
135.08028	3.3
135.11688	54.4
137.05984	12.8
137.08255	1.0
137.09584	8.3
138.06575	1.1
139.11214	1.5
141.05414	1.9
141.06964	2.7
143.08540	2.9
146.07181	2.0
149.68256	1.0
150.96895	26.3
151.03899	3.8
151.07484	1.7
151.11198	8.9
154.07658	1.0
155.97406	6.9
161.09616	36.6
167.08516	1.8
168.97974	2.2
169.10066	2.3
173.98502	15.3
174.98799	1.1
179.10670	100.0
180.03064	1.2
180.10953	1.3
182.10860	2.6
197.00060	2.1
197.05943	1.8
197.09895	2.7
197.11720	49.4
197.13222	2.5
198.18542	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	2.0
55.01855	2.5
55.05499	4.2
56.64207	0.8
57.07059	1.9
59.04984	3.4
63.81262	0.7
65.03915	1.8
67.05501	8.1
68.63063	0.8
69.03412	2.2
69.07054	3.3
70.95851	3.1
72.93771	1.5
79.05479	9.9
81.03409	1.1
81.06657	0.9
81.07060	10.9
83.08579	1.2
85.06540	1.2
88.96872	0.9
91.05475	24.1
93.06477	1.5
93.07040	26.7
94.07807	0.9
95.04960	10.6
95.08601	5.1
96.57691	0.8
97.06500	0.8
102.02684	0.8
105.03394	1.0
105.07020	43.7
107.04967	1.5
107.08585	78.0
108.08924	1.3
109.02866	0.7
109.06511	10.4
109.10146	8.6
111.08080	1.1
111.98450	2.6
113.08192	1.1
116.98710	0.8
117.06976	2.0
118.07755	1.1
119.01974	1.0
119.04930	3.3
119.06055	0.8
119.08564	10.6
121.06489	6.6
121.10132	1.2
123.04429	5.0
123.08060	1.4
123.11690	4.6
125.05956	0.9
128.06184	1.2
129.06961	1.6
129.99530	2.2
131.08572	3.8
132.95804	2.1
133.10118	84.7
134.10448	0.8
135.08025	1.4
135.11682	57.3
137.05975	3.8
137.09621	5.2
138.06688	1.1
141.05437	1.5
141.06987	4.0
143.08527	2.1
146.07228	2.5
150.96899	9.1
151.03899	0.9
151.11189	6.4
153.06960	2.2
154.07738	4.5
155.08441	0.9
155.97394	1.3
161.09607	38.8
167.08572	1.8
169.08693	0.9
169.10081	3.9
173.98503	3.8
178.07806	1.3
179.08684	3.5
179.10657	100.0
180.11006	1.4
181.06462	2.3
182.07266	3.8
182.10878	1.2
197.05911	1.9
197.09637	9.9
197.11713	54.5
197.13170	2.3
198.18532	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	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03942	0.9
55.01876	1.5
55.05504	2.8
57.03410	0.5
57.07090	0.9
59.05006	0.8
61.02930	1.5
65.03944	1.1
66.86936	0.4
67.05502	3.5
69.03425	1.9
69.07070	1.8
69.95897	2.4
70.95865	1.6
71.05000	0.5
71.28139	0.4
72.93778	0.8
73.02916	1.0
79.05491	8.4
79.80778	0.5
81.07056	9.0
83.04961	1.4
84.04494	0.5
87.04461	0.7
91.05479	18.2
93.07044	17.9
95.04948	3.5
95.08614	4.7
96.04504	0.4
97.02910	0.5
97.06525	1.8
99.04472	0.8
103.58944	0.4
105.03401	0.5
105.06298	0.9
105.07027	31.1
107.08591	100.0
108.08936	0.8
109.06517	5.6
109.10160	5.9
111.04440	0.8
111.98497	1.3
113.08243	1.6
115.05455	0.9
117.06999	1.4
117.55115	0.4
118.07758	0.7
119.04944	1.7
119.06078	0.6
119.08577	14.0
121.06531	2.3
121.10140	14.6
123.08075	2.8
123.11690	2.6
125.05996	3.0
125.09626	1.0
127.03931	1.7
128.06221	1.3
129.99522	1.4
131.08537	3.3
132.95828	0.8
133.02806	0.5
133.06523	1.2
133.10127	63.4
134.10416	0.4
135.08063	0.8
135.11697	4.0
137.05989	5.9
137.09628	2.8
139.07495	2.7
143.08502	2.2
146.07274	1.3
149.09610	7.9
150.96907	5.3
151.03833	0.8
151.07549	2.2
151.11182	16.4
155.09348	1.0
155.97386	1.2
161.08394	0.3
161.09607	16.2
167.10677	18.4
169.10326	0.5
173.98502	3.1
179.10663	34.2
180.10889	0.5
197.11705	32.2
198.18565	0.9
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
53.03932	7.0
55.01873	8.9
55.05263	2.3
55.05506	27.8
56.96557	3.0
57.03416	1.8
57.07062	4.4
59.04981	4.6
63.27679	1.9
65.03931	2.7
67.05498	9.3
69.03407	6.2
69.07050	5.3
70.95850	7.2
71.01330	2.5
71.04970	2.6
71.57714	2.2
72.08155	2.4
72.93786	7.8
79.05486	14.2
81.07050	30.5
83.04968	3.9
83.08624	1.5
86.09681	2.0
88.96889	3.0
90.94804	2.7
91.05472	32.6
93.07043	26.8
95.04965	16.5
95.08583	12.4
96.05562	1.5
97.06514	13.4
99.04446	12.5
103.33895	1.7
105.03395	2.1
105.07025	42.4
107.04932	2.6
107.08589	80.1
109.06518	20.0
109.10135	12.3
111.04411	3.5
111.08035	3.0
111.98465	5.7
113.08223	3.6
115.05458	2.4
119.04959	2.2
119.08584	11.5
121.06485	10.6
123.04406	5.2
123.08031	4.9
123.11677	7.7
125.05984	95.1
127.03913	35.4
128.06229	2.1
129.99478	5.9
131.08548	4.3
132.95872	8.5
133.06509	2.9
133.10127	84.8
135.08125	3.0
135.11682	49.0
137.05971	82.5
137.09604	9.0
138.06607	2.5
139.07587	1.8
141.05482	4.1
141.06956	2.1
143.08562	4.6
145.04993	1.8
146.07262	2.6
147.15216	1.6
150.96892	30.1
151.03868	4.4
151.07571	14.0
151.11200	12.6
154.06216	1.5
155.09381	2.2
155.10655	1.6
155.97449	5.9
161.09618	40.4
165.05467	2.2
169.08679	1.7
169.10056	3.1
173.98476	22.0
179.07079	5.2
179.10660	100.0
182.10902	3.1
197.06047	2.1
197.08083	5.2
197.11719	52.1
197.13206	3.2
198.18538	9.8
211.50240	1.9
217.87395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	5.9
55.05510	22.3
59.06115	0.5
66.44363	0.5
67.05502	2.0
69.03432	3.6
69.07079	0.7
70.72614	1.7
70.95853	1.7
71.01350	1.2
71.04996	1.1
73.64524	0.5
79.05489	4.0
81.07051	17.3
83.04980	1.2
91.05482	4.4
93.07036	2.1
95.04971	1.5
95.08575	1.3
96.05575	0.4
97.06532	9.7
99.04452	13.1
105.03393	1.4
105.07018	5.1
107.04922	1.2
107.08596	7.3
109.06515	8.9
109.10163	1.4
111.04446	1.4
111.98505	0.6
113.08224	1.4
117.07011	0.8
119.08561	1.4
121.06554	0.7
123.04491	0.8
123.08113	0.8
123.11725	1.0
125.05990	100.0
126.06312	0.9
127.03912	33.2
128.06229	1.6
129.99429	1.0
131.08528	0.8
132.95839	1.1
133.10121	8.1
135.08032	0.6
135.11656	2.6
137.05972	75.6
137.09567	1.5
138.06290	0.8
143.08557	3.2
145.04973	2.0
150.96893	4.3
151.07555	1.1
151.11174	2.7
155.97418	1.0
161.09619	10.1
173.98521	2.7
178.53273	0.5
179.10660	9.3
188.68271	0.5
197.11731	5.8
198.18535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02386	1.4
52.32853	0.6
53.03939	5.1
55.01865	2.7
55.05501	6.1
57.03439	1.9
57.07072	2.5
59.04997	3.4
65.03940	2.3
67.05494	9.1
69.03426	2.3
69.07066	3.8
69.90115	4.2
70.95859	2.0
71.01337	0.8
71.04999	1.8
72.93787	2.2
77.03911	1.1
79.05486	12.2
81.07046	12.7
82.07373	0.7
83.04974	2.6
83.08620	1.0
85.06538	2.0
87.04456	0.9
91.05473	25.1
93.07034	30.6
95.04960	19.6
95.08592	8.6
97.02882	0.9
97.06509	1.5
99.04457	0.9
103.05477	1.3
105.03384	64.6
105.07020	39.9
106.03741	0.8
107.04952	1.9
107.08583	78.7
108.08917	0.8
109.06523	9.0
109.10130	9.4
111.08058	2.1
111.98449	2.1
113.08238	1.4
115.05420	1.7
117.07011	1.8
117.72318	0.7
119.04933	2.8
119.06052	1.1
119.08575	12.2
121.06490	7.6
121.10148	2.1
123.04416	7.3
123.08042	3.3
123.11705	4.7
125.06017	3.5
125.06792	0.8
125.09612	1.4
127.03906	2.1
128.06215	1.6
129.99504	2.5
131.08545	3.3
132.95822	1.3
133.10120	83.9
135.08035	2.5
135.11679	58.6
137.05968	6.1
137.09595	8.8
140.34103	0.7
141.05435	1.3
143.08566	1.5
146.07285	1.9
149.13243	1.3
150.96851	9.3
151.03923	3.9
151.07538	2.3
151.11134	6.6
151.14786	0.9
153.14659	1.1
155.10626	0.8
155.97461	1.7
161.09601	37.7
161.13246	1.7
165.16789	0.8
168.95543	0.7
172.90686	0.9
173.98453	4.6
179.10657	100.0
179.14030	4.0
180.11012	0.9
197.04364	1.0
197.05945	1.7
197.11710	45.6
197.15375	1.8
198.18524	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	197.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05504	1.1
56.05039	2.0
56.96565	7.5
58.99877	1.0
67.05507	0.9
69.03426	1.2
69.70397	5.7
70.95847	1.6
71.06098	0.8
72.93764	0.9
77.00904	1.3
79.05483	0.8
81.07061	1.0
83.19975	0.8
83.25085	0.7
93.07059	1.4
95.04942	1.7
96.05601	1.7
97.02914	1.2
98.20813	0.9
98.97581	4.8
101.00876	4.4
102.20081	0.7
104.25670	0.8
105.07059	1.0
107.08595	2.2
111.98466	1.1
113.08236	8.5
114.03996	1.3
116.98627	5.3
118.03505	2.7
119.01916	45.0
120.02023	1.8
129.99503	1.2
130.03525	2.9
131.01910	1.1
132.05063	34.1
133.03459	1.2
133.05154	1.6
133.10120	2.0
134.03015	3.1
134.99669	8.6
136.04512	1.4
137.02951	29.5
137.08232	3.2
138.03123	0.9
138.06674	1.1
138.51654	1.4
139.02629	1.4
142.03502	4.2
145.03467	2.3
147.03781	10.8
147.04890	1.7
148.04527	2.3
148.77850	0.8
150.06110	39.3
150.96846	7.9
151.06180	1.0
153.00729	2.4
154.90788	1.7
155.03011	1.9
155.06731	1.6
155.09314	5.6
155.97447	1.7
156.05017	4.3
158.02951	1.6
160.04535	2.6
163.04474	1.1
165.04828	7.6
173.02832	2.3
173.04112	9.0
173.07794	1.7
173.98500	3.3
174.00760	2.3
174.02739	2.8
174.06120	100.0
174.98575	1.4
175.06143	3.1
176.04066	3.3
177.00969	2.9
179.09212	2.5
179.10692	3.3
187.04523	1.4
188.04010	0.9
191.03703	1.3
191.05292	4.3
192.01869	1.3
192.03548	1.5
192.07159	39.1
192.98730	1.3
193.07359	1.5
196.91820	1.1
197.00540	1.6
197.04242	2.1
197.07736	8.1
197.11778	1.4
198.18590	2.0
215.01750	2.0
215.05222	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	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03931	0.4
55.01614	0.3
55.01864	2.6
55.05503	0.7
56.05032	0.4
56.96556	0.4
57.03408	0.3
57.07069	0.3
59.06112	0.2
65.03932	2.8
67.05496	3.2
68.99762	0.2
69.03401	0.4
69.07056	0.6
70.92070	0.3
70.95862	1.3
71.01349	0.3
71.04974	0.3
71.06116	0.3
72.93773	0.8
73.02911	17.9
77.03900	0.2
79.05479	0.8
80.10666	0.2
81.03408	0.4
81.07041	1.4
83.06119	0.2
83.08613	0.2
84.04496	2.3
84.08149	0.3
85.02892	0.8
86.09696	1.2
87.04463	0.3
88.96892	0.5
89.03898	0.4
91.03947	0.6
91.05473	4.2
93.03389	0.3
93.07030	0.8
95.04958	3.0
95.06047	0.5
95.08611	0.9
96.04487	0.2
96.05614	0.2
97.02883	0.2
97.06522	0.2
97.90850	0.2
105.03406	0.3
105.07024	1.2
107.04938	0.4
107.08563	1.5
108.02088	2.6
108.08171	0.2
109.02872	0.6
109.06506	1.1
109.10151	0.6
110.03657	2.9
111.04435	2.8
111.98466	1.0
112.01644	0.2
112.07593	0.4
113.08240	2.2
119.01941	0.2
119.04926	2.0
119.08590	0.7
121.06485	0.3
121.10110	0.4
123.04411	0.3
123.08085	0.5
125.05982	11.7
129.99504	0.9
132.95850	1.0
133.02794	0.3
133.10124	1.5
135.08015	0.2
135.11682	0.9
136.01564	0.5
136.05225	0.3
137.05959	2.1
137.08224	0.6
137.09613	0.4
138.06667	0.3
141.05452	5.6
141.06543	0.4
147.04413	0.2
149.05984	2.6
149.13208	0.2
150.96896	4.2
151.03894	100.0
151.04980	8.3
151.07433	3.5
152.04239	1.3
152.10657	0.2
154.06259	0.2
155.09271	0.8
155.97443	1.0
161.09633	0.6
161.13252	0.4
162.09236	0.2
165.05542	0.3
168.97986	0.3
173.98485	2.1
177.00700	0.2
179.07019	13.7
179.10506	1.6
179.14214	0.5
180.07469	0.2
189.42105	0.2
197.06236	0.4
197.08083	3.4
197.10078	0.4
197.11743	0.5
198.18546	0.7
212.60660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0605
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
50.01594	0.6
55.05504	1.1
55.32497	0.6
56.05026	0.8
56.96572	3.4
65.03924	2.9
67.05524	1.3
68.05038	0.7
68.41805	0.5
69.03448	0.6
69.07076	1.0
69.24616	6.1
70.06581	0.6
70.95861	2.1
72.08169	0.7
72.93789	1.7
73.42285	0.5
79.05475	0.7
80.05018	21.8
81.03400	0.8
81.07062	1.9
82.06584	0.7
82.88332	0.6
83.06097	0.8
84.08138	1.0
87.00833	5.9
88.96870	0.8
90.04282	0.6
91.05492	1.3
92.04998	7.6
93.03378	0.7
93.07040	0.8
94.06573	0.9
95.01337	0.6
95.05000	1.1
95.08607	0.9
96.08177	0.7
97.02911	0.6
98.97601	1.0
102.52498	0.6
104.05008	5.2
105.01842	0.9
105.07019	1.6
107.08604	1.0
108.04478	74.1
110.06041	74.6
111.04440	2.0
111.05618	0.6
111.06404	1.0
111.98482	1.4
113.08283	1.3
116.98630	1.2
117.03435	0.7
118.03720	1.5
119.04895	0.8
129.99548	1.8
132.04451	12.3
132.95830	2.0
133.10115	0.6
134.99690	1.2
135.04453	0.7
136.03938	100.0
137.04324	1.1
137.05981	2.1
146.03181	2.5
149.97217	1.5
150.06583	1.2
150.09103	1.3
150.96907	7.4
151.03915	0.6
154.04979	1.9
155.97441	1.6
160.03937	13.9
164.04222	0.7
173.98495	3.8
177.00677	0.9
177.06667	0.9
178.04964	58.2
179.05428	1.7
179.09175	0.8
179.10616	1.3
196.06026	6.2
196.07590	0.7
196.09660	0.9
196.13377	1.0
196.17000	4.2
197.05974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.53745	2.6
53.03941	4.0
55.01866	17.7
55.05504	49.0
56.96569	4.4
57.03415	5.5
57.07070	12.6
59.04986	6.3
65.03912	8.4
67.05505	23.1
69.03423	27.9
69.07060	79.6
69.50980	9.4
69.51405	11.7
71.04984	9.4
71.08643	3.2
79.05489	32.0
81.03410	5.6
81.07048	66.6
83.04969	9.5
83.08618	28.3
84.08141	3.3
84.33849	2.4
85.06531	12.6
85.10189	3.7
88.16663	2.3
89.03909	23.6
89.61106	2.2
91.05468	20.0
93.07034	49.0
95.04942	9.6
95.08602	88.7
97.06514	11.6
97.10165	17.3
98.20773	5.7
99.08086	100.0
102.67491	2.7
105.07013	11.5
107.04954	19.6
107.08590	70.1
109.06541	6.1
109.10142	28.5
111.04445	4.7
111.08075	38.2
111.11716	12.6
113.09602	6.6
117.03357	39.3
119.08574	6.3
121.02834	4.7
121.06463	7.7
121.10134	88.9
123.11684	9.2
125.06000	5.0
125.09620	60.8
126.21067	2.9
128.41698	2.5
133.02829	2.9
133.10078	5.3
134.03624	9.7
135.04387	16.5
135.08055	7.9
135.11679	31.2
137.05977	5.3
137.09586	6.5
137.13232	26.7
139.11163	9.1
145.01759	4.8
145.02835	73.8
146.03069	2.5
148.97340	3.4
149.05974	19.0
149.09608	6.8
149.13229	11.1
153.05505	5.7
163.03909	11.6
165.06978	8.1
167.06996	4.4
167.08499	6.9
177.05455	69.8
177.09030	5.1
177.12799	6.5
177.16379	73.5
180.09308	4.1
190.83382	2.6
195.02901	10.7
195.06482	7.3
195.08121	5.8
195.10081	5.7
195.11728	9.4
195.13686	5.1
195.15773	4.2
195.17435	33.3
196.16983	3.1
198.17628	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	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03934	4.2
55.01859	4.9
55.05507	37.1
57.03439	7.9
57.07069	19.6
59.04994	2.7
65.03949	2.5
67.05499	31.7
69.03419	4.5
69.07063	59.9
70.50620	3.3
70.51009	2.9
71.04992	13.3
71.08624	2.9
79.05486	29.5
81.03375	1.7
81.07050	78.7
83.04974	4.9
83.08610	19.0
85.06532	23.4
87.66605	1.6
89.03894	6.9
91.05479	12.9
93.07036	51.1
93.07631	2.9
95.04962	7.0
95.08600	100.0
97.06514	6.5
97.10150	23.6
99.08086	16.3
102.48553	1.4
105.07017	7.5
106.07360	3.5
107.04967	9.5
107.08584	65.7
109.06522	3.4
109.10150	33.0
111.08082	8.7
111.11695	6.9
113.09601	2.5
115.11120	1.6
117.03371	12.4
119.08572	2.8
121.06497	2.4
121.10134	77.7
122.10471	2.3
123.08128	2.6
123.11697	19.8
125.05888	2.0
125.09624	5.1
131.08591	2.7
133.10123	2.9
134.03603	2.0
135.04419	5.1
135.08031	3.5
135.11693	25.6
137.09602	4.2
137.13225	13.1
139.03880	1.8
139.11159	9.0
145.02812	15.4
149.05983	3.7
149.09610	2.6
149.13304	7.7
151.14842	5.1
153.05418	1.7
153.12752	3.8
159.11710	1.9
159.90424	1.6
163.03876	4.3
164.32509	1.7
167.06958	2.0
176.43895	1.4
177.05443	13.1
177.09079	2.6
177.12766	2.0
177.16368	55.3
178.16737	1.6
195.02861	7.2
195.10226	3.1
195.13768	1.7
195.17419	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.79627	0.6
53.03939	1.2
55.01861	2.0
55.05514	3.9
56.96555	0.8
57.03435	5.5
57.04428	0.6
57.07082	0.7
59.04961	0.6
65.03939	0.8
67.05502	9.5
69.03432	9.1
69.07062	4.2
70.90520	1.4
70.90853	0.6
71.04993	3.9
76.64123	0.6
79.05492	16.0
80.05828	0.6
81.03416	1.2
81.07049	10.0
83.04970	1.9
85.06532	1.1
89.03920	0.7
91.05476	11.7
93.07041	28.1
95.04977	8.5
95.08601	8.4
97.06529	2.3
103.05518	0.8
105.04559	0.6
105.07026	7.3
107.04953	8.4
107.08591	41.3
108.08924	0.7
109.06538	6.5
109.10156	4.8
111.04436	2.2
111.08058	1.8
114.91094	0.6
115.05451	1.3
117.03401	3.1
117.07031	7.7
119.08574	13.9
121.06515	12.7
121.10140	12.7
123.08083	0.8
125.06001	3.2
125.09623	3.3
128.02223	0.6
129.06995	1.0
131.08554	11.0
133.06511	0.9
133.10161	4.8
135.04440	1.6
135.08057	30.5
135.11681	23.6
137.09613	100.0
138.09984	0.9
139.07544	1.1
141.05496	0.7
144.09344	1.6
145.02858	3.0
145.35304	0.7
148.03427	0.6
149.05974	1.7
149.09615	13.6
149.13271	7.3
153.05464	3.7
153.09122	1.5
157.99193	0.7
159.11693	9.9
163.03824	0.6
177.05463	3.7
177.09142	5.2
177.12738	24.1
190.45880	0.6
195.10178	12.4
195.13817	3.5
196.16913	0.7
203.51474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03938	4.5
55.01852	7.9
55.05501	20.9
56.96547	18.5
57.03428	44.9
57.07076	6.4
59.23890	3.3
67.05505	34.4
69.03423	7.8
69.07069	48.9
71.57365	3.2
71.57825	6.5
79.05489	34.3
81.03414	4.8
81.07043	34.7
83.04978	9.7
85.06523	16.1
89.03935	4.9
91.05489	20.6
93.07036	50.6
95.04947	17.5
95.08045	4.4
95.08604	39.8
97.06506	11.5
103.56023	3.8
105.07013	14.1
107.04939	13.4
107.08603	28.5
109.06510	7.8
109.10145	9.9
111.04429	5.5
111.08051	11.1
117.03353	10.9
117.06997	8.7
119.08546	7.2
121.06492	8.3
121.10158	17.3
123.08057	100.0
125.05962	6.7
131.08540	7.4
133.10139	9.7
135.04416	5.1
135.08057	11.4
135.11681	37.4
137.05933	3.2
137.09636	6.5
139.07613	3.3
143.07048	4.4
145.02858	19.3
149.09541	5.4
149.13293	10.6
152.06134	4.4
152.51462	3.5
153.05540	4.0
159.11682	8.3
163.03914	7.4
164.77440	4.2
165.07091	7.2
167.08575	4.9
177.05423	21.4
177.09032	4.4
177.12735	31.1
189.04367	4.5
190.04617	4.5
195.02919	13.8
195.08154	8.9
195.10098	3.9
195.11751	9.7
195.13786	23.9
195.15421	5.0
198.59601	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	1.2
55.05504	4.3
56.96532	0.5
57.03433	0.9
57.07053	0.9
65.03912	1.7
65.04240	0.5
67.05500	10.0
68.05756	0.6
68.99769	0.9
69.03428	8.0
69.07063	4.7
69.60245	3.2
69.60658	0.8
71.01292	0.5
71.04986	5.1
78.04700	1.1
79.05488	7.1
81.03413	0.7
81.07055	11.0
83.04979	1.2
83.08565	0.6
89.03914	16.3
91.05471	9.1
93.07037	14.4
95.04967	7.7
95.08609	7.9
97.06525	1.7
98.97596	0.6
103.05469	1.4
105.07024	5.9
106.04140	1.0
107.04967	3.2
107.08588	27.6
108.05791	0.6
108.08924	0.5
109.06512	5.0
109.10152	7.0
111.04420	2.0
111.08082	1.1
117.03376	26.4
117.07018	2.6
118.03667	0.6
119.04961	0.5
119.06087	0.7
119.08570	13.6
119.09357	1.0
120.00867	0.5
120.08779	0.7
121.06502	7.0
121.10133	10.1
123.08074	1.0
125.05993	2.0
125.09631	2.5
129.06969	1.2
131.08560	3.9
133.10123	5.2
134.03633	4.8
135.04424	6.1
135.08047	11.9
135.09001	0.9
135.11685	22.6
137.09608	100.0
138.06622	0.8
138.09926	2.9
139.04956	0.5
139.07527	2.1
144.09364	1.5
145.02838	42.0
146.03206	1.5
149.02354	0.7
149.05975	12.9
149.09587	2.2
149.13243	7.4
153.05486	2.6
159.11690	9.9
162.03128	1.2
163.03882	5.0
171.99001	0.6
177.05458	41.6
177.09071	1.4
177.12738	26.4
178.05812	1.4
178.13158	0.9
186.05467	1.4
195.02975	2.8
195.06412	0.8
195.08565	0.5
195.10130	1.0
195.11755	0.5
195.13818	4.3
195.15594	1.0
196.06023	0.8
206.36072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	4.4
55.01874	4.4
55.05508	21.8
56.96563	13.2
57.03430	4.0
57.07067	3.5
64.78571	1.2
65.03935	2.8
67.05500	66.2
69.03426	2.3
69.07066	19.7
69.61542	3.0
69.61971	3.7
71.01358	2.3
71.04987	7.2
73.02910	1.5
79.05490	49.3
81.03416	14.1
81.07052	100.0
82.07386	1.1
83.04979	11.6
83.08607	11.5
85.06535	3.7
89.03918	2.6
91.04894	1.6
91.05473	42.0
93.07038	65.8
94.07332	1.8
95.04963	11.1
95.08601	36.8
97.02929	1.0
97.06533	11.5
97.10149	1.1
98.21503	1.1
102.07498	1.0
103.05500	1.2
105.07029	14.3
107.04952	5.3
107.08591	28.0
107.64482	1.0
109.06497	4.7
109.10149	4.7
111.08060	6.3
114.09516	1.1
115.05435	1.8
117.03316	1.7
117.07011	13.9
119.08572	3.4
121.06480	6.6
121.10133	9.3
121.60155	1.1
123.08095	1.8
123.11691	2.2
125.09679	0.9
125.32247	1.1
129.06969	1.3
131.08546	14.4
133.10120	26.5
135.04411	2.3
135.08038	5.8
135.11684	32.3
137.09647	1.2
139.07530	1.6
144.09331	1.3
145.02835	6.6
147.11699	1.3
149.05986	2.7
149.09630	2.3
149.13248	14.0
151.11148	3.7
152.06227	1.0
153.05424	1.5
155.03870	1.2
157.10068	1.1
159.11694	13.8
159.46260	1.0
163.03938	3.1
165.07053	2.0
167.08569	1.5
175.02927	0.9
177.01929	1.1
177.05492	8.4
177.09090	1.2
177.12715	10.4
180.09340	1.4
184.09357	1.5
195.02930	2.7
195.11906	1.6
195.13794	14.1
195.15532	1.3
214.83742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28117	1.1
53.02003	1.2
53.03946	3.5
55.01869	4.9
55.05513	7.4
56.05030	2.2
56.96559	4.5
57.03436	3.0
57.07070	1.9
60.19102	1.3
65.03938	4.1
67.05502	8.6
69.03429	4.0
69.07063	5.2
70.06599	2.9
71.01337	1.4
71.04991	3.4
73.02931	1.8
78.04700	1.6
79.05495	26.7
80.05017	9.0
81.03416	4.9
81.04532	1.5
81.07063	12.3
83.01345	1.4
83.04964	5.7
83.06091	2.2
84.04493	1.7
84.08134	3.4
85.02898	2.9
85.06485	1.3
87.00817	2.2
87.49306	1.3
89.03915	24.7
91.05480	41.1
92.05000	2.0
93.03411	2.2
93.04565	1.6
93.06474	2.7
93.07041	38.8
94.06560	2.1
95.04979	13.5
95.06072	1.4
95.08595	6.7
96.06860	1.3
97.02915	2.4
97.06545	4.1
97.07650	1.8
98.97613	1.7
99.04475	1.3
99.05571	2.0
103.05469	4.8
104.05000	1.4
105.03394	1.5
105.07028	37.2
106.04180	1.6
106.06558	1.5
107.04961	13.7
107.08594	62.9
108.04483	20.5
108.05624	1.7
109.02887	1.9
109.06494	7.9
109.10193	2.0
110.06053	22.8
111.04459	7.7
111.05538	2.9
111.08083	3.4
115.05467	1.7
116.06248	5.5
116.98634	1.4
117.03377	39.1
117.06976	6.4
119.04953	1.7
119.08582	100.0
120.08937	1.2
121.02876	2.6
121.06503	9.0
121.10140	36.9
121.11017	1.9
122.06009	1.7
122.07114	1.8
122.10611	1.5
123.04434	1.3
123.08078	4.5
123.11723	2.0
125.02312	1.7
125.05991	6.0
125.06859	1.1
125.09639	2.5
127.99963	1.6
129.07019	4.5
131.08566	38.5
132.04414	4.1
133.02861	2.2
133.06511	3.6
133.10144	4.3
134.03627	6.4
134.99692	1.3
135.04431	11.3
135.08041	12.0
135.11664	6.2
136.03935	33.4
136.04955	2.6
137.05945	4.0
137.09659	7.8
137.10674	1.9
138.06610	1.4
139.03940	2.8
139.07524	3.3
139.11217	2.6
141.05460	2.6
145.02847	62.9
146.03162	2.2
147.04379	1.4
147.08044	20.4
148.07561	1.3
148.97366	2.2
149.05977	21.4
149.07095	1.2
149.09615	36.1
149.13235	2.0
150.06630	1.5
151.11195	1.9
152.04688	1.4
153.05457	18.0
153.09096	2.2
154.06053	1.4
159.08055	10.0
159.11682	1.8
160.03960	4.9
162.03137	1.9
163.03909	11.8
165.05545	2.0
165.09103	16.8
167.03595	1.4
167.07086	3.3
167.10675	3.3
177.05476	68.7
177.09065	22.5
177.12764	4.0
178.04939	19.4
186.05496	2.5
195.02892	10.3
195.06461	3.6
195.08392	3.0
195.10135	23.8
195.11845	1.6
195.13890	3.9
195.15858	2.6
196.06010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.31047	0.9
53.03936	2.1
53.16565	1.0
55.01855	2.3
55.05514	8.7
56.96587	1.3
57.03420	1.8
57.07069	4.3
59.04983	1.2
63.12923	1.0
65.03926	1.7
67.05508	6.8
68.99794	1.3
69.03439	1.1
69.07065	12.8
70.38731	0.9
71.04974	2.6
71.08621	1.0
71.56780	1.3
71.57133	1.6
78.04710	2.2
79.05492	9.6
80.05775	1.2
80.76560	0.9
81.07050	15.3
83.04984	1.9
83.08616	4.2
84.08102	1.0
85.02906	1.3
85.06535	3.8
89.03917	30.1
90.04235	1.2
91.05472	8.0
93.03352	1.3
93.07030	12.7
95.04972	5.6
95.08601	16.4
97.06510	2.3
97.10174	2.7
98.97585	1.6
99.08070	1.9
103.05483	2.4
104.84772	0.9
105.07036	13.7
106.04115	1.4
106.07360	29.3
107.04951	12.4
107.08591	14.6
109.06505	1.5
109.10133	8.7
111.04431	2.4
111.08079	2.4
111.11656	1.8
114.56375	0.9
116.98643	1.7
117.03371	55.4
119.08545	1.4
121.06516	4.4
121.10126	14.9
122.06013	1.9
122.09643	3.0
123.08040	1.2
123.10034	8.9
123.11703	3.4
125.06040	1.5
131.08572	1.7
133.02846	1.7
133.10114	1.8
134.03651	8.6
135.04430	14.3
135.08083	4.4
135.11671	7.6
137.09622	3.7
137.13263	1.8
145.02837	90.3
148.97331	1.7
149.05968	24.7
149.07114	1.6
149.09608	3.1
149.13268	3.3
150.09137	2.2
151.14693	1.0
153.05484	2.9
159.11678	2.1
162.03139	2.0
163.03886	13.8
167.07066	1.2
167.08606	1.0
171.98933	1.3
177.05461	100.0
177.09166	3.0
177.11272	1.5
177.12794	2.7
177.16399	7.2
178.05832	1.0
178.08521	1.1
186.05511	4.3
195.02922	4.6
195.06436	2.7
195.08165	1.3
195.10255	2.3
195.12038	3.8
195.13817	1.9
195.15784	1.5
195.17404	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01868	2.1
55.05509	2.2
56.05029	1.6
56.96561	22.8
57.03436	1.2
57.07070	1.0
58.06585	0.6
60.04522	0.7
60.95844	0.8
61.02914	0.7
62.27813	0.5
65.03934	30.0
67.05498	1.3
68.02655	0.6
68.05031	1.4
68.99784	1.3
69.03412	3.3
69.04565	0.9
69.07056	2.1
70.06590	3.6
70.16734	2.5
70.81138	0.5
70.98106	1.0
71.01366	0.8
71.04996	1.4
71.95221	0.6
72.08144	1.4
72.93790	0.7
73.02921	1.8
74.06080	0.7
74.97610	1.1
78.04679	0.9
79.05485	5.1
80.05026	1.2
81.03402	3.2
81.04537	0.7
81.07042	1.9
82.06581	0.9
83.04968	3.1
83.06121	1.0
84.04505	1.6
84.08137	6.7
84.96046	1.0
85.02890	2.7
85.06513	0.8
86.09684	2.7
88.99149	1.7
89.03908	8.3
89.06025	0.9
91.05473	23.5
93.03397	14.2
93.07018	4.2
94.06540	0.8
95.04963	4.3
95.06081	0.7
95.08585	0.9
97.02903	2.9
97.06518	1.1
97.07645	0.7
98.97583	4.4
99.02056	0.5
99.04487	0.6
100.02475	0.7
103.05443	2.6
105.07019	1.5
106.04169	0.8
106.06519	0.8
107.04948	5.1
107.08600	2.4
108.04533	0.5
108.05625	1.4
109.02866	1.8
109.06485	1.1
109.07646	0.7
110.03651	6.4
111.04433	93.1
114.05505	0.6
116.07088	0.6
116.98579	3.4
117.03374	10.6
117.67179	0.6
118.01034	0.6
118.97993	0.6
119.01886	1.5
119.04923	7.2
119.08593	1.4
121.02906	0.9
121.03941	0.5
121.06499	5.0
121.07665	0.7
121.10140	1.2
122.07188	0.9
124.03960	1.0
124.05106	1.1
124.07588	0.5
125.05985	66.6
125.06953	2.5
127.01535	1.2
127.08559	0.6
128.00125	0.5
128.02309	0.5
128.98573	1.3
129.10220	1.6
130.08643	0.6
131.08559	0.7
132.04471	0.6
133.02867	0.8
133.05092	1.0
134.01222	0.6
134.03616	5.1
134.06009	1.4
134.99648	4.8
135.04413	6.2
135.06606	0.7
135.07971	0.8
135.11661	0.7
136.03871	0.6
136.05084	0.5
136.06114	0.6
136.07533	0.9
137.05920	1.5
137.06924	0.7
137.09651	0.9
138.52260	0.6
139.07556	0.6
140.00127	0.7
145.01866	0.5
145.02835	14.2
146.99635	1.9
148.97368	1.6
149.05974	51.9
149.07014	2.3
149.09599	1.7
149.97212	1.2
150.01820	0.7
150.05472	2.2
150.06607	1.4
150.07761	1.6
150.08955	0.5
151.06084	0.8
151.07532	1.2
152.00690	0.5
152.07083	2.8
153.00632	1.7
153.05453	100.0
154.05844	0.9
155.56134	0.6
158.99661	1.2
160.10596	0.5
160.97424	0.6
161.01198	1.0
161.02864	0.6
162.03093	0.8
163.03893	5.0
165.00706	1.3
165.05576	0.7
165.07048	0.8
167.07043	1.3
167.08292	0.8
171.98967	1.1
172.95222	0.7
175.11891	0.8
177.00684	2.1
177.05423	22.8
177.06592	1.8
177.09059	1.9
178.04945	0.8
178.07254	1.3
178.08606	0.7
180.00386	1.5
180.09294	0.6
187.02792	1.1
190.00229	0.8
190.03891	0.5
190.96416	0.9
190.98595	2.1
195.02818	5.6
195.06471	2.1
195.07816	2.0
195.09746	2.6
195.11459	0.8
195.13724	0.6
195.15305	0.5
205.00188	1.3
208.99619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.95850	0.4
55.01872	0.9
55.05500	1.3
57.03437	1.4
63.02375	1.0
65.03936	1.1
67.05504	2.2
68.41067	0.5
68.99792	0.6
69.03418	1.1
69.07059	1.8
70.03745	0.4
71.01363	0.5
71.04981	1.1
71.56522	0.9
71.57166	0.4
75.03408	0.4
77.03912	0.6
78.04715	1.5
79.05479	7.4
81.03419	1.0
81.07044	2.8
82.06560	0.6
83.04973	1.5
89.03905	34.9
89.06006	0.6
91.05468	6.9
93.07032	8.1
95.04960	2.2
95.08619	2.4
97.06520	1.3
97.07634	0.5
97.10140	0.5
99.04453	0.7
103.05461	2.1
105.03375	0.6
105.07042	4.1
106.04171	2.5
106.07369	1.6
107.04935	3.7
107.08584	7.2
109.06503	2.1
111.04439	2.0
111.08065	1.0
117.03370	56.2
117.07005	1.8
119.04908	0.9
119.08586	0.9
121.02841	0.8
121.06498	4.7
121.10131	2.8
123.08061	1.5
124.05182	1.2
125.05988	1.8
125.09630	0.6
131.08546	3.8
134.03616	10.6
135.04408	13.0
135.08051	6.6
135.11670	2.9
137.06039	0.4
137.09570	1.1
139.07530	0.8
145.02831	100.0
146.03246	0.8
148.75609	0.5
149.05966	28.2
149.09625	5.0
149.13246	0.6
151.03912	0.5
153.05443	2.2
153.09111	1.0
158.05934	0.5
162.03065	2.9
163.03880	11.6
177.05450	97.0
177.12752	1.6
178.05887	0.7
178.24554	0.4
180.09279	0.7
186.05531	2.9
195.02933	3.4
195.06450	1.4
195.08319	0.8
195.10101	4.8
195.11688	0.8
195.13689	1.1
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	1.6
53.96318	0.6
55.01869	2.3
55.05500	2.5
57.03421	2.3
58.25857	0.6
60.00433	0.8
63.02372	1.3
65.03936	1.4
67.05504	2.1
68.99765	1.1
69.03419	2.7
69.07056	1.5
70.23998	1.6
70.24406	2.4
71.04968	1.0
71.59400	0.6
75.39629	0.9
76.46644	0.6
78.04698	1.9
79.05487	11.6
81.03407	1.5
81.07062	4.5
83.04968	2.2
83.08637	0.7
85.02859	0.7
89.03911	32.0
91.05473	7.5
93.07038	14.9
95.04957	4.0
95.08594	2.6
97.02873	0.8
97.06512	1.6
98.20837	0.9
100.14270	0.7
103.05453	1.6
105.03391	0.9
105.07025	4.9
106.04158	1.9
106.07351	4.4
107.04947	6.3
107.08582	10.8
109.02893	0.8
109.06512	2.2
109.10130	1.0
111.04436	3.0
111.08090	1.1
115.05441	0.8
117.03373	51.8
117.06992	4.4
119.08609	2.2
121.02887	0.9
121.06490	6.1
121.10123	4.8
123.08060	1.5
123.10047	1.0
123.11668	0.8
124.05154	1.4
125.06008	2.5
131.08539	5.8
133.06511	1.1
133.10118	0.7
134.03619	8.3
135.04427	11.7
135.08041	9.7
135.11697	2.6
137.09616	1.9
139.07509	1.0
145.02835	99.3
146.03166	1.3
149.05971	28.0
149.09610	8.6
149.13275	1.1
151.11160	0.6
153.01819	1.0
153.05457	3.2
153.09007	1.4
159.11719	1.9
162.03125	2.3
163.03899	12.4
165.06938	1.1
167.07013	0.7
177.05460	100.0
177.08908	5.2
177.12743	1.5
178.05859	1.2
186.05513	2.7
195.02956	4.1
195.06511	1.8
195.08359	1.4
195.10123	8.1
195.13832	1.6
195.15546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01868	1.8
55.04630	0.5
55.05507	2.9
56.96555	3.5
57.03423	0.9
57.07069	1.6
62.01574	0.6
63.02367	1.1
65.03931	1.5
67.05495	2.6
68.99778	1.5
69.03407	1.6
69.07068	1.5
69.23738	1.5
69.24145	4.3
70.06594	0.7
71.01340	0.8
71.04995	0.7
73.02911	0.9
77.03866	0.7
78.04700	1.8
79.05489	6.1
80.05000	0.7
81.03409	0.8
81.07050	3.2
82.06554	0.6
83.04980	0.9
83.06065	0.5
85.02892	1.1
89.03909	36.3
90.93542	0.5
91.05482	6.7
93.03381	0.8
93.07039	6.4
94.06526	0.5
95.04939	3.3
95.06007	0.5
95.08598	1.5
96.04476	0.7
97.06518	1.4
98.97561	0.7
103.05447	2.7
105.07014	3.0
106.04173	1.5
107.04940	4.0
107.08592	5.4
109.06490	2.1
109.10133	1.2
111.04427	3.0
111.08073	1.6
116.98608	1.0
117.03374	59.0
117.07017	1.2
119.04935	1.2
119.08569	2.0
121.02889	0.8
121.06483	4.1
121.10100	2.5
123.08046	0.9
124.05180	1.7
124.07658	0.6
125.05965	2.4
125.09635	1.0
131.04871	0.7
131.08554	1.9
133.02798	0.7
133.06548	0.8
133.10103	1.5
134.03624	11.4
134.99605	1.1
135.04411	14.4
135.08028	3.3
135.11700	2.5
136.05086	0.5
137.09612	5.3
138.06635	1.1
139.03888	0.9
139.07524	1.2
145.02835	100.0
146.03130	0.8
146.99722	0.7
148.97389	0.6
149.02348	0.7
149.05971	28.7
149.09615	3.3
149.13245	1.2
153.05519	3.8
153.09087	1.0
158.06039	0.6
159.11676	1.4
162.03104	2.2
163.03896	10.1
167.03386	1.0
167.07059	0.9
173.85582	0.5
177.05460	92.5
177.08984	1.9
177.12761	1.6
181.05003	0.6
186.05501	3.2
195.02853	5.1
195.04509	0.7
195.06454	1.7
195.08704	0.8
195.10156	3.4
195.11629	0.5
195.13857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03932	1.7
54.20299	0.5
55.01870	1.2
55.05501	2.5
56.96563	3.2
57.03440	1.0
57.07073	1.2
63.02367	1.1
65.03931	2.1
67.05490	2.1
68.99774	1.1
69.03414	1.1
69.07065	1.8
70.59124	1.8
71.04992	1.8
78.04712	1.2
79.05476	6.2
81.03411	0.8
81.07053	3.5
83.04967	1.4
84.08157	1.0
85.06541	0.7
89.03911	33.2
89.06103	0.6
91.05473	7.0
93.03399	0.9
93.07025	6.1
95.04963	4.3
95.08620	1.7
97.02893	0.7
97.06492	1.1
98.21454	0.6
98.97592	1.2
103.05460	2.7
103.62936	0.6
104.56856	0.7
105.07004	2.8
106.04153	2.1
106.06563	0.6
107.04943	3.8
107.08585	6.4
109.06502	2.1
109.07584	1.3
109.10159	1.5
110.03576	1.1
111.04424	4.4
111.08057	1.1
116.98643	0.7
117.03370	55.8
117.06989	1.0
118.95611	0.6
119.08551	1.6
121.02853	1.3
121.06490	4.1
121.10151	2.8
122.07157	0.7
123.04426	0.7
123.08077	0.6
124.05161	1.7
125.05984	2.6
125.09649	0.8
131.08557	2.2
133.02786	0.7
133.06470	1.1
133.10118	1.4
134.03635	10.3
135.04410	13.6
135.08015	3.2
135.11650	4.1
137.05927	1.0
137.09604	4.8
139.03886	1.1
139.07497	1.1
145.02832	98.1
146.03180	1.6
149.05972	27.2
149.09552	3.4
149.13268	1.5
152.52455	0.6
153.05452	4.6
153.08989	1.3
158.06050	0.9
159.11653	1.1
162.03136	2.2
163.03902	12.0
167.03448	1.1
167.06976	1.2
177.05455	100.0
177.08942	2.0
177.12709	1.8
178.05841	1.8
186.05499	3.1
195.02855	6.7
195.06483	2.2
195.08357	0.7
195.10213	3.0
195.13792	1.5
195.15573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03928	1.0
55.01863	0.8
55.05494	2.0
56.05022	0.8
56.96550	1.8
57.03463	0.5
57.07063	1.2
61.24947	0.6
63.02359	0.8
65.03942	2.1
67.02985	0.5
67.05508	2.8
68.05008	0.8
69.03420	2.3
69.07066	1.8
70.06606	1.0
70.09907	1.3
70.10312	1.9
71.04978	1.3
78.04698	1.8
79.05500	5.1
80.05016	0.6
81.03407	1.5
81.04532	0.9
81.07047	2.8
83.04961	2.3
83.06115	0.8
84.08153	1.0
85.02914	0.7
85.06525	0.9
86.70415	0.5
89.03911	31.4
89.06009	0.8
91.05472	10.1
93.03391	1.3
93.07027	7.2
95.04951	4.7
95.06075	0.8
95.08594	2.3
96.05611	0.7
97.02899	0.6
97.04028	0.8
97.06506	2.0
97.07653	1.1
98.97536	0.7
99.04492	0.6
99.05574	0.6
103.05461	2.5
105.03395	0.6
105.04500	1.0
105.07013	2.6
106.04167	2.2
107.04953	4.0
107.08582	8.5
109.04018	0.8
109.06480	1.8
109.10155	1.3
110.06046	0.6
110.07170	0.7
111.04436	3.2
111.05574	1.2
111.08061	1.5
113.07082	0.9
115.05445	0.7
116.06171	0.6
117.03369	56.7
117.07027	1.1
118.03681	0.7
119.04923	1.4
119.08572	15.7
120.16553	0.6
121.02832	1.2
121.06509	5.0
121.10139	3.3
122.07165	1.5
123.08060	1.1
124.05205	1.8
125.05948	2.2
125.09635	1.2
128.99266	0.7
131.04872	0.8
131.08559	2.7
133.10052	0.7
134.03632	10.1
134.99605	0.7
135.04411	13.2
135.08044	3.5
135.11676	4.3
136.05037	0.8
136.08719	0.6
137.05956	0.9
137.09607	32.8
138.06621	1.0
139.03886	1.5
139.07513	0.9
139.11162	0.8
145.02834	100.0
146.03178	1.0
147.04410	0.7
147.08043	1.2
148.97360	1.4
149.05972	27.4
149.09593	4.2
149.13307	2.2
150.05441	0.8
150.06609	0.9
152.07054	1.0
153.05464	4.7
158.06029	0.9
159.08128	0.5
159.11671	3.1
162.03156	3.2
163.03893	13.1
165.06975	0.7
167.03526	0.9
167.07001	1.2
171.99051	0.6
177.05458	98.1
177.12677	2.7
185.82404	0.6
186.05502	3.8
195.02864	5.5
195.06383	1.6
195.07843	1.0
195.10147	2.0
195.12283	0.9
195.13832	2.3
195.15627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03943	0.3
55.01861	0.7
55.05502	0.4
56.96559	0.4
57.07069	0.3
60.55570	0.2
65.03947	0.2
67.05493	0.6
68.05817	0.2
69.03419	0.6
69.07067	0.2
70.06571	0.3
71.56675	0.2
73.02910	4.0
77.03924	0.3
79.05482	2.9
80.04998	0.3
80.05832	0.3
81.03420	0.4
81.07047	0.6
82.03743	0.3
82.07388	0.3
83.04984	0.2
84.08141	0.2
89.03908	0.2
91.05470	0.5
92.05778	0.2
93.07048	0.4
94.07361	0.2
95.04964	1.0
95.08595	0.4
98.06065	0.3
98.97562	0.2
102.01691	0.2
103.05464	2.0
105.07021	100.0
106.07349	1.9
107.04950	0.4
107.08584	0.5
109.02866	0.2
109.10152	0.4
110.06074	0.3
110.20577	0.1
111.04507	0.2
116.98653	0.2
117.03377	0.5
118.53162	0.1
120.08102	0.2
120.08897	0.3
121.06478	0.4
121.10146	0.3
122.09656	29.6
123.09994	0.4
124.04742	0.2
124.07573	0.2
131.08606	0.3
134.06848	0.3
134.10497	0.3
135.04456	0.2
135.08054	0.3
135.11702	0.2
136.12029	0.2
137.09572	0.4
145.02861	0.8
146.09628	0.4
148.07571	0.8
148.11090	0.2
149.05934	0.5
149.09581	0.2
150.02586	0.2
152.07069	0.2
162.06345	0.3
163.03912	0.2
166.08635	0.6
166.60674	0.2
176.03448	0.2
176.10646	3.8
177.05481	1.0
177.11169	0.2
177.12773	0.2
179.02966	0.3
180.64827	0.1
194.05354	0.3
194.08109	0.7
194.11720	4.8
194.15285	1.1
194.31204	0.2
195.02879	0.7
195.10168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70928	1.2
73.02916	4.3
77.53196	0.4
79.05495	2.2
88.31199	0.4
95.05000	0.6
103.05465	1.8
105.07028	100.0
106.07362	1.2
106.81437	0.4
118.50184	0.4
122.09665	26.7
123.10027	0.6
176.10693	2.5
194.11754	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	194.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85975	0.3
53.03930	0.5
55.01854	0.8
55.05504	0.7
56.96545	0.7
58.65985	0.3
67.05495	1.2
68.05827	0.4
69.03409	0.9
69.07066	1.5
70.06570	0.3
71.04996	0.3
71.56327	0.4
72.74957	0.3
73.02911	3.5
73.25741	0.3
74.81602	0.3
75.58333	0.3
77.03924	0.4
79.05492	3.3
81.03419	1.1
81.07037	1.3
82.07395	0.5
83.04971	0.4
87.04469	0.5
89.03916	1.4
91.05483	1.0
92.05811	0.5
93.07034	1.4
94.07401	0.4
95.04955	1.2
95.08605	1.0
96.08934	0.5
97.06576	0.3
98.06044	0.4
98.97556	0.3
99.08090	0.5
100.08440	0.5
103.05474	2.0
105.07026	100.0
106.07363	3.1
107.04942	1.3
107.08591	1.2
108.04445	0.5
109.10168	0.8
110.10473	0.7
110.92284	0.3
111.04416	0.3
111.08072	0.3
116.98594	0.4
117.03385	3.0
118.06539	0.3
118.94578	0.3
119.08568	0.5
120.08100	0.6
120.08915	0.7
121.10142	0.6
122.09666	27.4
123.10033	0.5
127.03874	0.3
131.08624	0.6
133.02832	0.8
133.10164	0.7
134.03595	0.5
134.05949	0.4
134.06850	0.7
134.10483	0.8
135.04398	0.8
135.08075	0.4
135.11710	0.9
136.11996	0.7
137.09708	0.5
138.09950	0.4
145.02835	5.7
146.09618	0.5
148.07610	1.0
148.28023	0.3
149.05966	2.0
150.02763	0.4
152.07104	0.3
162.06444	0.4
163.03935	1.1
165.24054	0.2
166.08638	0.5
176.03288	0.3
176.07103	0.4
176.10634	3.0
176.15164	0.9
177.05460	7.3
177.06879	0.5
177.12741	0.3
179.03383	0.7
186.05444	0.4
194.05551	0.9
194.08192	1.0
194.11716	4.5
194.15242	2.5
195.02957	0.7
195.06480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01860	5.0
55.05263	1.5
55.05506	16.2
56.96561	1.7
57.03423	2.6
57.07071	7.2
65.03951	3.2
65.09175	1.0
67.05502	54.3
69.03425	3.1
69.07066	23.0
70.82749	1.9
70.83092	1.7
71.04980	1.5
71.08633	2.1
79.05056	1.9
79.05486	20.3
81.03409	8.0
81.07050	100.0
82.07358	1.5
83.04968	4.1
83.08615	8.5
85.06532	2.1
91.05474	17.4
91.65240	0.8
92.05810	1.0
93.03368	1.0
93.07036	13.7
95.04972	8.7
95.08601	94.0
96.08892	1.2
97.02872	1.4
97.06538	3.1
97.10161	5.7
99.08102	2.0
103.05481	6.3
104.06244	1.1
105.03380	1.9
105.07025	41.7
106.07394	1.2
107.04938	2.7
107.08589	8.3
108.04501	1.0
109.06520	7.1
109.10149	64.2
110.10448	1.1
111.08069	1.5
111.11710	2.1
115.05470	6.3
117.07014	1.9
118.04141	3.2
118.68547	0.9
119.04952	2.2
119.06039	0.9
119.08562	13.1
120.40260	1.0
121.06516	2.3
121.10145	3.7
122.03629	1.6
122.39319	1.0
123.04424	2.3
123.08058	4.8
123.11696	27.8
125.06015	1.3
129.06998	3.4
131.04942	3.3
131.08551	2.4
133.02872	10.1
133.06485	27.7
133.10124	13.6
134.62993	1.0
135.08060	2.6
135.11679	4.4
137.05991	6.6
137.09604	4.0
137.13226	14.0
142.07773	1.3
143.06134	1.5
146.97481	1.1
147.04404	2.9
147.08018	2.8
147.11684	10.9
149.02318	4.1
149.05974	1.8
149.09612	1.6
149.13231	2.9
150.03098	1.7
151.03798	1.2
151.07503	3.1
151.11232	1.9
151.14853	1.6
157.10114	2.9
161.05968	18.8
165.05467	3.1
165.09126	1.3
165.12723	1.9
166.08586	1.1
175.07487	1.0
175.11205	5.1
175.14825	6.2
178.02608	7.5
178.06210	2.2
178.07689	1.5
193.04941	28.9
193.08585	18.3
193.10191	1.8
193.12180	11.7
193.15926	9.9
193.17706	2.2
193.19461	4.9
194.08078	2.1
194.15450	3.0
198.91032	1.0
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	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	7.6
55.01857	6.6
55.05260	2.8
55.05511	32.6
57.03417	3.0
57.07061	8.8
59.04987	7.4
65.03946	11.1
67.05503	75.0
69.03412	7.3
69.07071	24.2
69.44175	13.9
69.44581	4.6
70.06564	3.2
71.04979	6.8
71.08630	2.3
75.12042	1.8
79.05493	38.6
80.05801	2.9
81.03415	70.4
81.06582	3.7
81.07052	53.5
83.01337	2.8
83.04974	11.3
83.08610	15.6
85.02934	2.0
85.06538	25.9
91.05469	36.9
92.86415	1.9
93.07042	47.9
94.06602	2.4
95.04967	34.8
95.08604	42.9
97.06528	5.0
98.20790	3.9
98.97591	2.1
99.08090	88.9
103.05455	8.1
105.07027	69.3
107.04935	6.2
107.08585	52.2
107.71982	1.9
109.02868	1.9
109.06518	21.2
109.10155	100.0
110.10468	2.3
111.08057	8.4
115.05450	6.6
117.07011	5.1
118.04172	2.9
119.04955	3.1
119.08576	49.0
121.02879	3.4
121.06513	5.0
121.10165	19.6
123.04404	7.1
123.08054	20.4
123.11698	15.8
125.09615	2.9
129.06976	5.3
131.04979	2.1
131.08531	6.0
133.02847	16.0
133.06496	23.5
133.10129	58.9
135.08051	5.4
135.10695	3.3
135.11690	45.7
137.05962	8.2
137.09625	31.0
138.10381	3.6
142.07750	2.9
147.08034	6.0
147.11681	14.8
149.02348	16.6
149.03395	3.3
149.09587	4.0
149.13187	6.4
150.03067	2.2
151.03972	3.1
151.07539	6.8
151.11137	13.4
151.14804	2.8
157.10143	4.5
161.05998	17.1
165.05470	3.9
165.09146	3.0
165.16362	4.0
175.07579	2.3
175.11160	6.8
175.14827	31.4
178.02580	11.4
193.04950	52.2
193.08635	10.9
193.10707	1.7
193.12257	11.4
193.15866	82.8
194.05536	2.6
194.15547	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.40998	0.8
55.05509	11.2
57.07063	2.5
59.04975	0.9
65.03915	1.3
67.05503	11.2
69.07066	25.0
70.08874	4.6
71.04993	16.6
76.48971	0.9
79.05489	8.4
81.06586	1.4
81.07053	21.6
83.04961	1.3
83.08605	3.6
85.06083	1.0
85.06545	16.3
91.05486	5.7
93.07042	25.4
95.04966	39.6
95.08599	20.6
96.05322	0.9
97.06513	2.7
97.10168	9.2
99.08080	3.8
103.05474	0.8
105.07039	9.2
107.08591	32.1
109.06514	100.0
109.10154	13.9
110.06865	1.8
111.08083	5.6
111.11726	2.2
113.09653	0.9
119.08581	26.2
120.39946	0.9
120.60811	0.8
121.10149	9.2
123.08089	6.0
123.11700	19.3
124.12074	0.9
128.06479	0.8
131.08604	1.2
133.10130	21.7
135.11684	27.4
136.12067	1.0
137.09615	12.9
147.11678	3.2
149.13278	7.6
149.79753	0.9
151.11143	6.3
154.96761	0.9
175.14828	31.3
176.15164	1.6
193.04930	2.0
193.12265	1.4
193.15878	37.6
194.16226	1.5
202.92340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.26809	1.3
53.03936	3.7
55.01869	1.8
55.05268	1.5
55.05507	23.8
56.93679	1.1
56.96553	4.8
57.03440	8.7
57.07074	8.1
59.04983	1.8
65.03925	3.4
67.05502	39.4
69.03413	4.0
69.07060	18.7
70.06524	1.8
71.01991	3.7
71.04988	6.9
71.08636	2.0
72.66650	1.1
77.03945	1.6
79.05491	33.9
81.03422	7.1
81.07053	78.0
83.04976	8.6
83.08611	11.5
85.06556	6.2
91.04898	1.9
91.05476	46.9
93.07040	58.8
93.07639	2.9
95.04964	10.4
95.06078	1.6
95.08603	66.3
97.06543	7.3
99.08100	2.1
103.05482	3.2
105.04525	1.4
105.07025	90.1
106.07393	2.6
107.08594	48.5
108.08858	1.7
109.06528	11.4
109.07600	1.3
109.10149	37.1
111.08073	5.6
115.05438	2.1
116.98603	1.2
117.07030	6.6
118.07790	1.5
119.04935	1.7
119.08575	100.0
120.08884	1.8
121.09330	1.4
121.10148	19.7
123.04450	1.5
123.08070	8.5
123.11712	9.8
125.09599	1.7
131.08589	8.8
133.02849	10.0
133.06546	6.2
133.10126	84.7
134.10439	2.9
135.08038	5.5
135.11687	31.4
136.07622	1.6
137.05942	3.7
137.09608	13.1
145.10110	3.5
146.10876	1.9
147.04387	1.5
147.08076	1.9
147.11673	34.3
147.12796	2.3
149.05943	1.5
149.13245	12.0
150.03104	1.8
151.11180	5.5
160.14471	1.2
161.02339	1.6
161.05968	4.2
163.14786	2.8
165.05478	2.5
165.09128	1.4
165.16316	2.6
175.07564	1.4
175.11420	2.5
175.14818	98.0
176.15132	2.9
178.02592	9.1
193.04956	20.3
193.08566	4.1
193.12277	6.6
193.15875	54.0
193.17662	2.6
194.05418	1.5
194.08012	1.7
194.11804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03936	5.5
55.01867	7.6
55.05509	19.6
56.96560	2.8
57.03443	6.8
57.07063	5.0
57.48432	1.3
59.04980	1.5
65.03943	4.1
66.97395	1.3
67.05502	47.0
69.03407	3.7
69.07062	19.4
70.83744	3.6
71.04990	13.9
77.03934	2.5
79.05489	60.2
81.03409	15.8
81.07051	60.0
83.04982	19.8
83.08614	10.3
85.02891	4.7
85.06535	3.1
86.83192	1.4
91.05478	73.3
93.06479	2.7
93.07040	44.4
95.04963	83.6
95.08605	28.0
97.06528	11.7
97.10178	1.4
99.04425	1.7
99.08036	1.4
103.05442	3.7
105.07027	79.6
107.04955	15.3
107.08591	36.1
108.04414	1.3
109.05791	2.4
109.06511	33.6
109.10168	7.8
111.04438	50.7
111.08068	2.5
113.05964	1.9
115.05437	4.9
116.06192	1.3
117.07014	10.0
118.04139	1.9
119.04939	2.0
119.08577	33.8
121.06473	3.1
121.10152	12.1
122.03635	1.5
123.04404	3.1
123.08044	6.0
123.11698	10.1
125.05991	3.1
127.07542	1.6
128.06204	1.9
129.06985	18.6
131.08577	21.1
133.02834	6.9
133.06494	20.0
133.10126	60.3
135.08054	44.2
135.08861	0.8
135.11662	3.8
137.05922	6.2
137.09637	3.0
142.07759	5.9
145.10217	1.7
146.97487	2.2
147.04301	1.5
147.08060	6.0
147.11676	35.5
149.02342	1.9
149.05904	1.9
149.09613	19.7
149.13217	2.2
151.07510	3.0
151.11176	42.8
157.10132	16.1
161.06017	11.3
165.05518	1.2
165.09123	2.4
165.12756	10.3
175.10037	0.8
175.11176	33.7
175.14812	3.5
178.02576	5.9
193.04945	22.0
193.08600	5.4
193.12234	100.0
193.15755	7.0
194.12512	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02398	0.8
52.68429	0.6
53.03935	2.1
55.01862	2.8
55.05506	7.4
56.96559	0.8
57.03423	2.0
57.07066	2.1
57.51060	0.7
61.82851	0.6
65.03934	2.3
67.05501	20.6
69.03422	2.2
69.07063	7.9
71.02505	1.4
71.02843	1.0
71.04994	6.2
77.03921	1.3
79.05491	26.2
81.03414	15.5
81.06576	1.3
81.07053	20.1
83.04975	7.6
83.08599	2.3
85.06526	4.6
87.04453	1.9
91.05476	79.8
93.07037	23.4
95.04968	12.0
95.08604	7.4
97.06525	2.7
99.04485	0.8
99.08079	1.3
103.05455	2.8
105.03416	0.7
105.07024	61.1
106.07340	1.4
107.04952	5.7
107.08592	16.9
109.06520	8.8
109.10142	4.8
111.04420	1.2
111.08043	1.1
115.05466	2.4
117.07020	4.0
119.04916	2.0
119.08578	30.4
121.06483	2.7
121.10138	3.5
123.04458	1.5
123.08037	4.8
123.11696	1.8
125.05987	3.0
129.06979	6.2
131.04967	0.7
131.08562	15.4
133.02863	4.8
133.06485	23.0
133.10121	100.0
134.10527	1.2
135.08017	1.4
135.11688	3.6
137.05940	2.6
137.09599	2.4
141.06912	0.9
142.07771	2.5
145.10147	3.2
147.04428	1.3
147.08023	6.7
147.11681	23.8
149.06052	0.8
149.09612	17.6
149.13255	1.7
150.03136	1.8
151.07518	2.1
151.10020	0.9
151.11156	4.6
157.10124	5.2
161.05957	2.4
163.11240	0.8
165.05473	1.4
165.09119	0.9
165.12747	2.3
171.85442	0.8
175.11179	34.9
175.14818	6.4
178.02588	6.6
193.04955	13.1
193.08504	3.2
193.12247	24.9
193.15938	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02378	0.6
53.03942	3.3
55.01871	7.2
55.05505	9.4
56.96563	6.4
57.03434	3.6
57.07069	1.6
59.04990	0.7
65.03942	3.3
66.04704	1.1
67.05499	21.8
68.05831	0.4
69.03422	4.5
69.07060	5.0
70.07077	0.4
70.94495	0.4
71.01368	0.9
71.04981	1.4
71.30845	0.4
71.57078	0.8
73.02915	0.8
77.03938	0.6
79.05485	28.5
80.05807	0.6
81.03413	61.4
81.07049	15.6
83.01322	0.9
83.04980	4.5
83.08611	7.5
85.02904	1.3
85.06551	3.0
89.03918	0.6
90.04707	1.5
91.05475	27.7
92.05815	0.6
93.06498	0.3
93.07036	11.9
95.01313	1.7
95.04963	27.3
95.08595	7.8
96.05260	0.8
97.02893	1.7
97.06519	2.6
97.10165	1.1
98.97620	0.9
99.08080	6.3
102.01534	0.6
103.05462	14.8
104.06282	2.9
105.07023	100.0
106.06612	0.5
106.07347	2.0
107.04947	8.3
107.08591	7.5
109.02814	0.6
109.06509	4.5
109.07671	0.6
109.10151	12.0
111.01997	0.5
111.04426	1.2
111.08060	1.7
115.05446	21.0
116.06277	0.9
116.98628	2.1
117.07027	3.0
118.04145	10.9
119.04920	1.9
119.08574	16.4
121.06493	2.6
121.10130	5.1
121.66316	0.5
122.03629	1.0
122.06018	0.7
122.09656	1.9
123.04430	1.9
123.08056	4.4
123.11677	2.1
123.49637	0.5
125.05988	0.7
125.09587	0.6
128.06203	0.9
129.06996	6.8
131.04910	3.1
131.08560	5.9
132.04391	0.9
132.05682	3.1
133.02852	4.3
133.06483	69.5
133.10109	11.9
134.06866	1.5
134.99612	1.0
135.04420	0.8
135.08063	2.6
135.11693	6.0
137.05971	2.9
137.09599	5.8
139.03822	0.8
142.07756	1.8
143.04921	1.6
143.06042	4.7
145.10120	0.7
146.03604	2.4
147.04387	1.9
147.08038	7.0
147.11684	5.8
148.08597	0.5
149.02332	3.1
149.05957	1.9
149.09579	3.2
149.13240	1.3
150.03098	0.7
151.03891	1.3
151.07581	2.8
151.11180	2.0
157.10130	4.6
160.05168	1.9
161.05971	54.4
162.06450	0.9
163.03922	0.6
163.07503	1.3
165.05444	1.1
165.09085	1.3
165.12791	1.2
165.16417	0.7
167.07428	0.5
175.07513	1.5
175.11172	5.4
175.14851	3.9
178.01042	0.7
178.02557	3.7
178.06239	5.2
193.04938	9.3
193.08598	24.4
193.12215	7.9
193.15866	10.1
194.15311	0.5
198.04562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.1
55.05418	1.6
56.04933	2.0
56.96469	8.4
56.96786	2.1
57.03366	1.3
57.06995	1.3
57.07232	0.6
59.58162	0.5
60.05548	2.0
60.95773	1.2
61.47125	0.5
63.02255	0.6
63.05959	0.5
65.03853	1.4
65.04158	0.7
67.05405	2.0
68.04943	0.9
68.97949	0.6
69.03347	1.4
69.04468	0.5
69.06966	2.0
69.07334	0.8
69.75302	0.5
69.83281	2.0
69.83698	1.3
70.06491	25.6
70.06917	3.3
71.04877	0.5
71.06855	0.7
72.04469	0.7
72.08081	1.0
75.27207	0.6
78.04622	0.8
79.05383	2.2
80.04942	0.7
81.03314	1.8
81.06949	2.8
83.01243	2.3
83.04874	1.6
83.06031	0.8
83.08553	1.2
84.02415	0.5
84.08023	1.6
85.02844	1.1
86.09597	4.6
88.02132	0.8
89.03812	4.1
91.05376	5.8
92.04913	0.7
93.06945	1.8
94.06495	1.1
95.01244	0.9
95.04963	3.7
95.06024	1.4
95.08507	1.6
96.04388	0.8
97.02800	2.0
97.06449	1.2
97.07578	1.0
97.23798	0.5
98.03461	0.8
98.05926	0.5
98.97488	2.0
103.05384	1.9
105.03278	0.7
105.07013	3.5
105.96270	0.6
107.04865	1.4
107.08502	2.0
109.01006	0.9
109.02782	0.6
109.06422	2.0
109.07603	1.3
109.10040	1.9
110.05942	1.4
111.04387	0.6
111.09149	0.6
116.06982	1.8
116.98534	2.0
119.04936	3.2
119.08580	3.0
120.97874	0.7
121.01080	3.3
121.05040	1.4
121.06461	1.2
121.07456	0.5
121.10042	0.9
122.01865	9.6
122.03552	1.1
122.05936	0.9
122.07182	0.7
123.04360	1.5
123.06487	0.7
123.07973	1.5
123.09083	0.5
123.11658	0.9
124.07518	1.5
125.06931	1.7
126.05322	1.3
130.09630	0.7
130.52475	0.6
131.04900	1.3
132.05630	2.5
132.06531	0.9
133.01077	11.3
133.02806	6.9
133.05032	0.6
133.06447	1.0
133.10075	2.1
134.06052	0.7
134.99646	2.6
135.04344	0.7
135.07968	0.5
135.11642	0.9
136.06104	8.6
136.07504	8.1
136.08572	1.2
137.05960	4.6
137.09520	1.6
137.10551	0.7
138.05450	0.6
140.07027	3.0
146.05991	2.6
146.99565	2.0
147.02600	1.3
147.04442	2.5
147.08040	1.1
147.11679	1.2
148.03874	0.9
148.06169	1.2
148.07411	0.9
148.08687	0.7
149.02293	0.9
149.04507	1.3
149.05853	1.1
150.01340	65.7
150.10201	0.6
150.98985	0.6
151.01024	0.5
151.02130	10.7
151.03285	0.9
151.03870	1.1
151.06116	1.1
151.07303	0.6
151.11169	1.0
152.06958	0.6
153.06456	1.0
158.09235	0.8
160.05119	0.6
160.40611	0.7
161.00542	26.7
161.01656	1.8
161.05904	1.1
162.00816	0.8
165.03716	1.2
165.05461	1.9
165.06728	0.8
165.09044	0.9
166.04935	1.0
175.03856	0.7
175.08731	3.6
175.11928	3.3
175.14842	0.9
176.03455	0.8
176.05626	0.6
177.00728	0.6
178.00830	97.3
179.01550	3.7
185.01089	0.6
189.00648	0.8
193.03207	100.0
193.04933	15.5
193.08429	2.5
193.09872	2.4
193.12221	1.1
193.15880	5.3
194.03491	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	SCHEMBL115205
Peak:m/z	Relative Intensity
51.02395	0.3
53.03943	0.5
55.45796	0.3
56.05034	0.4
56.74217	0.3
56.96565	1.0
59.06167	0.3
67.05510	0.4
67.25628	0.3
69.03425	0.5
70.95880	0.4
71.05714	0.3
71.54649	0.4
71.54985	0.4
72.93793	0.9
73.73717	0.4
74.06060	0.5
79.05498	1.1
87.00821	2.7
90.94830	0.4
91.05486	3.0
95.04977	1.1
98.97588	0.4
99.59292	0.3
103.05453	0.4
104.04334	0.6
104.04918	1.7
105.07027	0.7
106.06560	6.3
107.04976	0.4
107.08601	0.5
108.08125	0.3
108.08934	0.4
108.95857	0.4
109.06564	0.4
117.05727	0.4
118.06544	19.2
119.04948	0.6
119.06891	0.4
119.08595	0.5
120.08110	0.4
130.06517	0.8
132.04454	100.0
132.95859	1.6
133.02866	0.5
133.04823	1.3
133.08786	0.4
133.10170	0.4
136.07567	0.5
146.06009	3.9
147.04385	0.7
147.10423	0.5
150.05504	1.5
150.96899	6.9
160.05045	1.0
164.05731	0.4
164.07036	4.7
167.97139	0.4
173.98494	0.3
174.05502	16.0
175.05902	0.4
176.07069	4.6
177.07817	1.1
177.15175	0.4
191.97031	0.5
192.06554	26.1
192.10167	11.7
192.13748	0.9
192.17433	2.8
193.03473	0.3
193.04945	1.8
193.06659	0.4
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	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
51.68388	0.7
52.86523	0.6
53.03934	1.2
53.78842	0.6
55.01860	1.1
56.96557	3.2
57.03430	0.7
58.99567	1.2
59.06113	0.8
60.04517	1.1
63.86670	0.7
69.39712	6.1
70.06579	1.9
71.01344	1.2
72.08161	0.8
72.11404	0.7
72.93776	1.8
77.03922	0.9
79.05475	2.6
81.03397	0.7
81.07037	0.8
83.04981	0.6
84.04540	0.6
84.08131	0.8
85.02909	0.9
86.00626	2.1
86.03228	0.6
86.06097	0.6
87.05576	0.7
88.03988	0.9
89.71333	0.6
90.94830	1.7
91.05466	8.5
93.07026	0.9
94.06567	20.5
95.04956	3.5
99.00813	9.8
103.03931	0.8
103.05452	2.5
104.04309	1.4
104.04987	17.3
105.07030	4.4
106.06555	3.4
107.04933	0.8
108.04446	0.7
108.08981	0.7
108.95837	0.7
109.06517	0.9
110.07165	1.7
116.10728	2.7
116.98647	0.8
117.05766	1.3
118.06538	11.6
119.04911	1.4
119.08562	1.8
120.04451	3.3
120.08090	4.8
121.67490	0.6
122.06020	2.4
128.04944	2.8
128.06212	0.7
129.06992	2.6
130.06419	0.6
131.04893	0.9
131.07309	0.7
132.01163	3.2
132.04445	26.0
132.95818	2.8
133.02779	1.1
136.07556	2.5
137.05930	0.9
146.05997	100.0
146.09622	11.5
146.99663	0.9
147.06355	1.4
148.07542	0.8
148.42493	0.6
148.97746	0.9
149.96059	0.7
150.05501	13.3
150.09077	1.0
150.96869	9.9
160.05066	1.8
164.07037	2.3
164.11751	0.8
167.97133	1.2
168.05705	0.7
168.44540	0.8
174.05482	18.8
174.07738	1.0
175.03763	0.8
177.15321	0.8
178.02637	0.9
186.99062	1.7
187.32611	0.8
191.97124	1.4
192.02849	1.2
192.06555	9.8
192.08508	1.6
192.09979	4.4
192.13820	0.8
192.14758	1.2
192.17432	5.2
193.04884	4.0
209.98230	0.7
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
53.03930	2.8
55.01858	1.0
55.05506	26.8
57.07066	6.1
67.05500	20.7
67.98273	0.9
69.07062	54.4
69.24815	0.9
70.06280	4.6
70.07385	1.0
71.08604	1.2
77.03889	1.0
79.05485	24.1
81.07053	25.7
83.04984	0.9
83.08138	1.5
83.08608	19.4
88.78535	1.0
91.05469	15.9
93.07036	72.2
94.07358	1.2
95.04969	4.6
95.08599	99.5
97.10149	13.7
98.20854	1.1
103.03927	2.7
103.05457	3.8
105.07030	13.8
107.04929	1.5
107.08583	88.1
108.08887	1.5
109.06487	2.7
109.10146	55.0
111.11722	2.1
117.06988	1.4
119.08553	6.0
121.06474	1.3
121.10135	100.0
122.10442	1.6
123.08094	2.5
123.11703	10.2
131.04884	2.3
131.08549	2.8
133.10120	5.6
135.08034	2.8
135.11679	77.9
136.12000	1.6
145.10127	2.0
147.11707	4.5
148.05121	1.4
149.09621	2.6
149.13243	19.6
162.14009	1.1
163.07458	1.6
163.14832	2.8
172.55302	1.0
173.13237	3.3
191.07002	2.9
191.08601	2.2
191.10620	3.7
191.14313	9.3
191.17932	88.5
192.18237	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	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01855	2.2
55.05506	21.0
56.96565	1.3
57.03419	1.0
57.07065	5.3
58.69831	0.8
59.91872	0.8
60.11074	1.0
67.05502	20.7
69.03423	1.1
69.07065	52.4
70.63102	2.5
71.08623	0.9
73.02888	1.2
77.71334	0.8
79.05065	1.3
79.05491	22.1
81.06588	1.6
81.07050	25.3
83.04950	1.3
83.08139	1.6
83.08611	19.8
85.02891	2.0
91.05474	17.1
93.07036	71.3
94.07327	1.3
95.04958	3.3
95.08601	92.8
97.06529	0.9
97.10171	11.8
102.56040	0.9
103.03938	5.3
103.05467	6.2
105.06366	1.6
105.07021	11.0
107.04935	3.0
107.08586	77.4
108.08890	1.7
109.06501	2.8
109.10150	51.7
110.10506	1.0
111.11670	1.7
115.05449	1.5
117.06985	3.0
119.08578	5.4
121.06499	2.1
121.10136	100.0
122.10480	2.5
123.08069	2.3
123.11694	10.1
131.04898	2.7
131.08528	4.8
133.10107	4.6
135.08063	4.8
135.11685	69.1
136.12093	2.0
145.10075	4.4
147.11667	3.1
148.06075	1.5
149.09583	1.0
149.13240	17.4
163.07512	3.2
163.11107	2.1
163.14809	2.2
173.09576	1.0
173.13255	2.7
176.04649	1.6
191.03391	1.0
191.06964	4.3
191.10654	4.0
191.14340	10.0
191.17935	85.4
192.18297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08534	0.9
53.03930	2.3
53.29581	0.9
55.05269	1.6
55.05508	23.1
57.03422	1.0
57.07077	6.4
60.29971	0.8
67.05500	26.5
69.03420	2.7
69.07063	54.1
79.05489	20.8
81.07052	26.3
83.08614	20.8
90.61761	0.9
91.05470	16.7
93.07036	74.5
95.04948	4.1
95.08600	95.0
97.10169	11.4
98.20747	2.9
103.03953	4.5
103.05454	2.5
105.07018	12.7
107.04949	2.2
107.08586	79.6
108.08929	2.0
109.06526	2.2
109.10149	56.2
110.10447	1.3
111.11698	2.0
117.07015	1.8
119.08575	6.8
121.06498	2.1
121.10133	100.0
122.10461	2.0
123.08031	3.3
123.11694	10.7
126.95102	1.1
129.06966	1.1
131.04947	2.3
131.08546	3.2
133.10138	5.9
135.08044	3.9
135.11681	80.6
145.10120	3.6
147.11674	2.9
149.09610	1.4
149.13258	18.1
158.10930	1.2
163.07491	1.8
163.11218	1.8
163.14813	3.5
173.09587	2.3
173.13261	3.4
190.07771	1.0
191.03337	1.1
191.06967	2.7
191.08582	5.9
191.10640	4.1
191.14325	12.6
191.17932	84.4
192.18237	1.2
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
54.92611	1.9
55.05511	23.3
56.97941	2.0
57.07058	5.7
59.38480	1.8
63.43287	2.0
67.05505	20.7
69.07066	54.8
71.18510	5.0
79.05502	17.5
81.07065	21.1
83.08618	18.0
91.05484	11.8
93.06484	3.5
93.07042	61.1
95.08609	92.0
97.10181	13.2
105.07035	10.1
106.97555	1.9
107.07871	4.3
107.08592	82.9
109.09472	3.3
109.10162	46.4
111.11712	2.1
119.08525	2.7
121.10145	100.0
122.10441	2.9
123.11699	7.4
133.10153	3.4
135.08162	1.8
135.10693	3.9
135.11691	70.5
145.10155	2.2
149.13266	16.1
163.14806	2.1
164.83636	1.8
191.14281	2.8
191.17938	96.8
192.18275	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03932	1.4
53.28032	1.0
55.05506	24.5
57.07078	6.2
67.05497	22.8
67.59431	0.8
69.07062	57.2
71.31155	2.7
79.05486	24.2
81.06590	1.6
81.07051	26.4
83.08137	1.7
83.08609	18.6
85.10170	1.2
87.88365	1.0
91.05479	14.2
93.07035	74.6
94.07343	1.5
95.04957	4.0
95.08599	98.4
96.08878	1.7
97.10158	11.1
97.64462	0.9
103.03915	1.9
103.05447	2.5
105.07001	11.7
107.08586	78.7
108.07740	0.9
108.08876	1.8
109.06524	2.9
109.10149	50.1
111.11697	1.9
117.06995	2.5
119.08595	6.0
121.10135	100.0
122.10456	1.8
123.08026	1.3
123.11691	9.2
131.08527	3.2
133.10124	5.0
135.08066	1.3
135.11678	77.6
136.11960	1.8
142.22046	1.0
145.10109	2.2
147.11659	4.6
148.05052	1.5
148.12469	1.0
149.09607	1.0
149.13242	18.8
158.10942	1.0
163.07518	1.1
163.14827	3.0
173.13239	2.8
173.73349	1.1
191.07005	2.4
191.08557	3.0
191.10503	1.2
191.14343	6.8
191.17926	85.1
192.18329	3.0
197.50108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03933	2.7
55.05507	22.3
57.07074	5.4
65.03940	1.0
67.05502	21.2
69.03384	1.5
69.07064	54.7
70.83119	2.0
77.03938	0.9
79.05486	22.9
81.07053	21.5
83.04975	1.3
83.08150	1.2
83.08617	17.7
87.43849	0.9
90.74805	0.9
91.05470	13.1
93.07037	68.2
94.07367	1.4
95.04963	2.5
95.08600	92.0
96.08945	1.5
97.10158	11.3
103.03922	2.9
105.07012	12.0
107.04971	1.5
107.08584	70.6
108.08916	1.7
109.06501	2.5
109.10149	53.3
111.11695	2.3
119.08574	3.8
121.06499	2.1
121.10135	100.0
122.10448	2.1
123.08015	2.2
123.11707	8.4
131.08528	3.3
133.10095	3.9
135.08031	3.0
135.11679	71.9
136.12039	2.0
145.10121	3.5
147.11714	2.1
149.13257	18.7
158.10934	1.3
163.14861	2.3
173.09579	1.0
173.13222	2.5
175.54836	1.0
184.28984	0.8
191.07024	1.9
191.10686	1.1
191.14342	8.4
191.17937	81.8
191.80991	0.9
192.18286	3.0
206.45953	1.0
211.35693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03942	1.8
54.20605	0.5
54.60553	0.5
55.05507	22.7
56.50490	0.5
56.96593	0.5
56.96973	0.5
57.07073	5.8
57.92810	0.6
63.82992	0.5
64.78999	0.5
67.05502	22.0
69.03429	0.7
69.07064	53.6
69.68123	2.0
69.68534	1.2
70.07399	0.9
71.08619	1.2
77.03944	0.7
79.05489	22.1
81.07053	24.9
83.04985	0.9
83.08612	20.5
85.02918	1.1
91.05470	13.4
93.07037	69.7
94.07354	1.3
95.04971	2.9
95.08600	86.6
96.08923	1.7
97.10171	10.8
98.21483	1.0
103.03957	3.8
103.05437	0.9
105.04561	0.7
105.07029	10.7
106.07845	0.8
107.04947	1.0
107.08587	72.9
108.08939	1.2
109.06515	2.2
109.10151	52.0
110.10453	1.0
111.11714	2.5
119.04807	0.6
119.06127	0.7
119.08577	5.4
120.06596	0.5
120.09431	0.6
121.10135	100.0
122.10497	2.0
123.08089	1.8
123.11702	9.7
128.54163	0.5
131.08548	2.7
131.43610	0.5
133.10124	3.1
135.08060	2.1
135.11684	73.0
136.05917	0.6
136.12024	2.1
143.08569	0.8
145.10135	2.4
147.11690	3.3
148.06073	1.1
148.12483	1.3
149.09575	1.7
149.13246	18.2
158.11024	0.8
162.14055	0.6
163.07521	0.7
163.11156	0.8
163.14798	2.3
169.03389	0.6
173.09636	0.9
173.13272	2.2
191.07054	1.2
191.10664	1.7
191.14333	7.3
191.17937	82.0
192.18280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05509	24.6
56.05373	1.2
57.07066	5.9
67.05499	21.2
69.07065	56.4
70.77889	2.6
70.78215	1.4
79.05487	21.5
81.07055	23.1
83.08150	1.4
83.08620	22.7
91.05477	12.4
93.07037	71.9
95.04982	3.3
95.08599	91.2
96.08921	3.0
97.10142	9.5
105.07020	10.3
107.08586	78.3
109.10149	45.7
111.11732	2.5
119.08559	5.5
121.10136	100.0
122.10403	1.3
123.08026	1.9
123.11698	10.7
131.08565	2.0
133.10132	2.3
135.08058	1.5
135.11681	69.4
144.52533	1.2
145.10062	1.5
147.11671	2.8
148.12442	1.3
149.13257	17.9
162.05130	1.2
163.07520	2.2
173.13232	1.9
191.06984	1.6
191.10652	1.4
191.14334	4.6
191.17937	88.0
192.18275	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.36943	1.0
53.03942	2.0
55.05507	24.7
57.07084	6.7
57.69009	1.0
67.05499	24.0
69.00025	1.1
69.07067	56.1
69.99055	1.2
70.07378	1.2
71.08629	1.6
78.29015	1.1
79.05070	1.6
79.05492	21.9
81.07055	24.5
83.08621	21.1
85.02936	1.9
85.21243	1.1
91.05476	15.9
93.07043	71.8
95.04944	4.7
95.08604	99.2
96.08913	1.4
97.10155	12.3
99.40851	1.1
103.03933	4.3
103.05458	1.8
105.07030	14.1
107.04979	1.8
107.08589	81.2
109.06523	2.9
109.10153	56.8
111.11697	1.3
117.06996	1.6
118.04090	1.1
119.08558	7.1
121.10141	100.0
122.10449	2.5
123.08105	1.5
123.11721	9.2
130.04167	1.3
131.08548	4.2
133.10098	3.5
135.08052	1.4
135.11688	79.0
145.06525	1.3
145.10114	3.2
146.05969	1.3
147.11676	3.9
148.06136	1.3
148.12520	1.3
149.13263	20.9
163.14928	2.8
167.02393	1.4
173.09607	1.6
173.13283	2.6
173.22481	1.2
191.03346	1.2
191.06992	3.3
191.10696	2.6
191.14330	10.1
191.17949	94.5
192.18285	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.81929	1.2
53.03950	1.6
55.01845	1.2
55.05515	6.3
57.03436	2.5
57.07074	2.3
58.36112	1.1
65.03928	1.7
67.05504	7.0
69.03432	12.9
69.07061	9.1
70.11877	1.2
70.12151	5.9
71.04980	2.9
76.47020	1.0
79.05488	12.9
81.07053	16.2
83.04963	9.6
83.08598	2.8
84.93134	1.0
85.02905	1.8
85.06527	1.5
91.05477	22.5
93.07050	15.8
94.58171	1.4
95.04956	4.4
95.08604	8.9
96.28407	1.0
97.06504	5.4
102.63542	1.1
103.03934	4.7
103.05473	4.0
105.07026	38.1
107.04940	3.4
107.08595	33.6
109.06492	6.6
109.10132	6.2
111.08053	2.1
111.27357	1.2
115.05467	2.6
116.06219	2.3
117.07044	7.4
118.04165	1.5
119.08571	14.9
121.06538	6.4
121.10134	16.0
123.08062	5.8
123.11684	2.0
128.06200	1.5
129.07021	4.9
131.04884	3.3
131.08560	51.1
133.06442	1.3
133.10123	54.7
135.08060	19.3
135.11673	4.3
143.08571	8.1
144.09358	2.4
145.10117	19.5
147.08051	1.5
147.11700	9.3
149.09624	10.3
149.13260	9.3
150.10391	2.1
158.10904	10.4
161.09579	5.3
161.13251	3.5
163.07507	4.2
163.11169	2.4
163.14816	4.9
172.35013	1.1
173.09627	1.3
173.13251	34.6
176.11961	2.7
191.07002	2.2
191.10770	5.5
191.14296	100.0
192.14629	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
53.09269	1.4
55.01855	3.6
55.05508	9.9
56.96574	1.2
57.03417	4.6
57.07058	2.3
61.04036	1.2
65.03935	1.7
67.05503	10.4
68.99711	1.2
69.03426	16.5
69.07069	15.4
70.52061	1.5
70.72198	3.7
70.99817	1.4
71.04979	5.2
73.02900	2.7
79.05493	15.2
81.03409	2.0
81.07053	22.6
83.04962	10.3
83.08593	4.0
85.02891	3.9
85.06528	3.7
91.05482	31.3
93.07034	26.2
95.04960	8.4
95.08604	21.2
95.24739	1.3
97.06517	8.6
103.03946	15.9
103.05462	19.7
105.03381	2.6
105.07026	42.8
107.04961	8.9
107.08585	48.9
109.06517	13.5
109.10147	13.8
111.08058	3.8
115.05424	4.6
116.06253	2.3
117.06993	9.4
118.04136	4.7
119.04918	1.5
119.08569	22.2
120.05734	1.4
120.06530	1.8
121.06517	16.3
121.10132	32.6
123.08067	12.2
123.11700	2.2
129.06992	4.5
130.04141	3.5
130.07800	3.8
131.04921	10.2
131.08553	47.4
133.02866	2.0
133.06441	2.0
133.10120	57.0
135.08049	30.0
135.11661	7.4
137.09599	2.1
143.08539	8.2
144.09319	4.3
145.06451	2.7
145.10112	23.6
146.05966	1.7
147.08046	3.7
147.11679	18.5
148.05061	7.6
148.06093	5.3
148.08815	2.7
149.02339	1.5
149.09613	27.7
149.13271	15.2
150.10393	1.6
156.09312	1.4
158.10918	12.4
159.08076	2.9
161.09589	2.3
163.07538	15.2
163.11160	6.1
163.14825	7.5
171.11667	1.9
171.31874	1.5
173.09624	4.1
173.13257	47.2
176.04666	3.7
176.12012	2.6
191.03325	2.4
191.06982	10.9
191.10686	8.6
191.14299	100.0
192.14764	1.6
192.17824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.30459	1.1
55.01867	10.3
55.05504	16.5
57.03423	1.7
57.07056	1.7
65.03926	1.7
67.05497	12.8
69.03403	3.8
69.07061	34.5
69.85883	1.2
70.60223	1.9
70.60571	2.3
79.05484	25.9
81.07056	17.0
83.04966	5.5
83.08607	10.1
84.15211	1.2
85.02843	1.3
88.54230	1.2
91.05470	23.7
93.07036	59.5
95.04973	6.2
95.08598	43.1
97.06508	7.6
97.10165	2.8
103.03943	3.6
103.05442	5.5
104.26985	1.3
105.07024	29.2
107.04944	3.9
107.08584	100.0
108.08892	1.7
109.06519	6.6
109.10134	13.8
111.08060	1.6
111.11696	1.3
115.05440	1.9
117.07008	4.9
118.04186	2.5
119.08568	29.7
121.06486	5.6
121.10137	56.7
123.08067	5.0
123.11693	5.1
129.06992	2.4
130.04182	1.8
131.04909	4.1
131.08539	21.5
132.08929	1.4
133.06487	2.0
133.10129	12.8
135.08040	8.9
135.11682	29.6
137.09602	1.6
143.08559	3.1
145.10110	16.1
147.08078	2.8
147.11678	35.0
148.05136	2.4
149.09616	24.6
149.13242	35.4
158.10896	3.5
161.09584	2.2
163.07533	4.3
163.11174	3.8
163.14789	7.9
167.01778	3.6
167.62646	1.3
171.11642	1.3
173.13258	23.5
176.11926	5.5
191.07063	3.1
191.10617	4.7
191.14302	69.5
191.17929	37.2
192.14598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03925	1.4
55.01859	2.2
55.05507	8.3
57.03410	2.3
57.07060	3.0
59.04970	1.3
65.03932	2.4
67.05499	40.5
68.05798	1.1
69.03428	5.1
69.07064	16.8
69.64001	1.1
70.21392	3.9
70.60326	0.8
71.04990	33.2
73.02877	1.5
79.05490	23.0
81.06586	1.5
81.07051	26.7
83.04989	4.7
83.08625	6.2
85.02885	1.4
85.06538	13.3
88.46040	1.1
91.05474	31.6
93.07036	33.3
95.04966	19.9
95.08596	25.4
97.06521	10.8
97.10146	1.0
103.03935	5.5
103.05448	4.3
105.03397	1.2
105.07024	56.5
107.04927	2.7
107.08586	82.7
109.06518	24.8
109.07246	1.9
109.10146	97.5
110.10454	1.9
111.08055	4.1
115.05440	3.8
116.06284	2.0
117.07006	10.8
119.06019	1.4
119.08583	19.4
121.06509	10.7
121.10133	66.6
122.10509	0.9
123.08052	22.4
123.11631	1.5
126.99003	0.9
129.07010	6.4
129.93309	0.9
130.07791	2.2
131.04895	1.6
131.08554	67.1
132.08916	1.1
133.06483	3.2
133.07512	1.5
133.09100	2.2
133.10117	33.5
135.08044	71.5
135.11688	10.5
139.13480	1.0
142.07742	1.3
143.08534	9.6
144.09286	3.3
145.10114	18.4
147.08011	4.4
147.11673	23.4
148.05090	2.3
148.08792	3.4
149.09622	16.6
149.13246	15.4
150.10362	4.2
158.10904	12.1
161.09607	5.0
162.10347	1.3
163.07520	3.3
163.11182	1.9
163.14821	2.2
171.11655	1.2
173.13249	56.3
174.99782	1.0
176.11943	2.3
181.38034	0.9
191.06937	3.0
191.10655	3.4
191.14293	100.0
191.17845	6.2
192.14645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.00272	1.5
53.03941	9.6
55.01864	12.4
55.05508	15.2
55.56461	1.5
56.96554	2.0
57.03429	3.9
57.07053	6.7
60.04473	1.5
65.03923	6.9
67.05501	33.5
69.03426	44.3
69.07061	17.4
70.11292	1.7
70.91541	1.4
70.91896	5.2
71.04977	3.9
73.02877	2.2
77.03915	2.0
78.75500	1.8
79.05486	100.0
80.05048	1.7
81.03394	4.0
81.07049	68.6
81.07524	3.9
83.04980	23.2
83.08620	2.9
85.02876	5.0
85.06523	5.1
85.15083	1.6
91.05472	60.2
93.07034	42.7
95.04964	30.1
95.08611	19.7
97.06549	11.1
103.03936	14.1
103.05441	16.1
105.04487	2.6
105.07021	47.1
107.04947	82.3
107.08583	93.0
109.06513	19.5
109.10139	19.0
111.04398	2.6
111.08083	3.7
115.05437	9.2
116.06200	4.2
117.07010	25.1
118.04176	3.0
119.06132	1.9
119.08559	19.5
121.06483	23.8
121.10129	43.0
122.07275	2.9
123.04385	2.6
123.08049	6.7
123.11691	2.8
128.06171	3.1
129.06992	13.1
130.04140	2.9
130.07744	4.3
131.04913	16.6
131.08551	49.3
132.05637	3.7
133.02846	2.4
133.06450	3.4
133.10118	74.4
135.08041	25.3
135.11655	16.0
136.08827	3.0
137.09598	17.7
143.08560	6.3
144.09343	2.0
145.06473	16.5
145.10110	45.8
146.05946	1.8
147.08023	6.4
147.11671	12.7
148.05144	5.7
148.06149	3.1
149.05910	2.0
149.09619	14.7
149.13232	15.8
155.08531	20.9
158.07257	2.9
158.10880	13.8
161.09587	4.2
163.07549	7.6
163.11160	20.2
163.14806	4.6
173.09607	44.2
173.13261	25.6
174.09949	1.8
175.11075	1.6
176.04604	4.1
176.11882	2.8
191.03354	3.0
191.06973	13.1
191.10652	37.9
191.14297	81.8
191.17924	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	2.4
55.01864	3.2
55.05512	6.2
56.96562	2.3
57.03437	1.7
57.07069	2.1
59.04985	1.4
65.03927	1.8
67.05514	8.4
68.05003	0.9
69.03424	12.1
69.07069	10.5
70.26478	0.7
70.92072	0.9
70.92413	1.7
71.04970	3.0
77.03927	0.9
79.05486	12.5
80.36784	0.7
81.07052	9.3
83.04969	9.7
83.08610	3.3
84.08099	1.3
85.02892	2.5
85.06513	1.9
90.04657	0.8
91.05475	22.3
93.07034	17.4
95.04964	6.9
95.08597	8.5
97.06527	8.2
97.10117	0.9
102.04681	1.5
103.03939	7.3
103.05457	12.4
105.03374	1.9
105.07022	32.9
107.04973	4.6
107.08585	35.6
109.06512	6.5
109.10172	5.3
111.08069	1.1
115.05457	3.5
116.06229	1.1
117.07023	7.3
118.03398	0.8
118.04124	4.3
119.04914	4.5
119.08576	15.7
120.05694	2.4
121.06506	10.3
121.10131	20.0
123.08051	5.6
123.11692	3.1
125.66195	0.8
128.06230	1.0
129.06979	4.4
130.04086	1.1
130.07776	2.0
131.04926	7.4
131.08562	29.4
132.05679	3.3
132.08847	0.9
133.02837	3.6
133.06497	2.2
133.10123	51.4
135.08047	21.0
135.11684	6.8
136.08745	0.7
137.09570	1.4
143.08551	7.9
144.09337	2.0
145.06464	1.4
145.10110	16.6
146.03596	0.9
146.06001	1.6
147.04379	2.3
147.08028	2.4
147.11690	13.8
148.05164	10.5
148.06165	1.1
148.12425	0.9
149.05966	0.7
149.09616	10.0
149.13246	12.6
150.05498	1.0
158.10910	10.3
159.04369	1.0
159.08101	0.9
160.05109	1.7
161.05983	0.9
161.09631	6.3
163.07535	21.1
163.11172	3.4
163.14796	3.3
173.05826	0.9
173.09630	1.8
173.13261	28.7
176.04669	3.5
176.11952	2.4
191.03314	2.3
191.05396	1.6
191.07019	21.1
191.10664	5.3
191.14296	100.0
192.07497	0.8
192.14656	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05939	1.3
53.03932	3.5
55.01870	2.7
55.05512	8.9
57.03422	4.1
57.07064	2.6
59.04990	2.6
64.63752	1.3
67.05493	11.7
69.03428	10.7
69.07066	13.2
70.91624	3.7
71.04982	6.0
79.05489	16.7
80.49890	1.4
81.07047	14.5
83.04979	7.5
83.08605	4.3
85.02892	1.7
85.06531	4.9
90.04673	1.9
90.29244	1.5
91.05476	27.9
93.07049	23.1
95.04974	10.7
95.08595	14.6
97.06526	8.0
98.26242	1.3
102.04655	2.6
103.03940	6.3
103.05464	31.9
105.03394	2.1
105.07029	56.3
107.04923	6.8
107.07862	3.0
107.08587	47.0
109.06527	13.3
109.10152	21.1
111.08018	2.6
115.05448	6.8
117.07017	8.3
118.04147	6.5
119.04906	1.8
119.08572	24.3
121.06517	8.1
121.10144	26.2
123.08085	9.5
123.11674	5.5
129.06993	5.2
130.04144	2.5
130.07774	2.6
131.04932	16.8
131.08559	47.9
133.02855	5.8
133.06509	3.0
133.10126	100.0
135.08046	30.1
135.11716	7.0
136.08755	1.4
142.73553	1.6
143.08548	14.5
144.09308	5.1
145.10106	28.2
146.03653	1.7
147.04410	2.7
147.08040	2.5
147.11699	13.9
148.05119	12.7
148.06094	1.6
148.12447	1.7
149.09622	15.9
149.13249	28.1
150.10417	2.5
155.08684	1.4
158.10915	22.9
159.04361	1.5
161.09630	3.5
163.07558	20.5
163.11182	4.2
163.14801	2.9
171.11806	1.6
173.05899	1.9
173.09438	1.9
173.11761	3.1
173.13258	63.5
176.04691	3.6
176.11966	2.0
191.07060	12.2
191.10634	3.9
191.14294	95.1
192.14462	2.1
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
51.02378	1.2
53.03936	3.0
55.01860	4.7
55.05508	8.0
57.03420	2.3
57.07085	1.7
65.03921	2.3
65.25240	1.0
67.05497	10.9
69.03429	11.7
69.07062	8.0
71.04979	3.7
73.02911	1.3
73.05691	1.2
79.05490	29.9
81.03371	2.2
81.07056	18.5
83.04978	10.6
83.08575	2.4
85.06540	2.3
91.05476	52.5
93.07039	27.3
95.04960	9.9
95.08595	12.0
97.06513	6.6
100.17509	1.1
103.03932	4.9
103.05449	4.8
105.07021	49.5
106.07365	1.9
107.04951	13.4
107.08591	50.2
108.05723	1.4
109.06512	10.7
109.10133	4.4
111.08064	2.1
115.05457	7.6
116.06238	6.5
117.06220	1.8
117.07011	24.6
119.08575	26.1
121.06493	18.4
121.10135	26.4
123.08063	7.5
123.11654	1.5
128.06235	1.4
128.47754	1.2
129.07010	13.2
130.07782	7.3
131.08560	100.0
132.08910	1.1
133.06497	2.3
133.10124	41.4
135.04398	3.6
135.08044	13.1
135.11688	5.5
143.08611	5.8
144.09314	3.2
145.06490	10.3
145.10117	52.5
145.11281	2.6
147.08020	12.6
147.11661	10.1
148.08621	1.2
149.05942	3.0
149.09615	30.5
149.13245	11.0
155.08549	4.8
158.10931	6.2
161.09578	1.6
163.07535	20.1
163.11182	8.0
163.14793	4.4
173.09613	24.3
173.13254	22.1
191.06888	2.5
191.10658	51.4
191.14294	55.9
192.11008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	1.6
55.01860	2.5
55.05488	5.0
57.07059	2.0
67.05499	6.2
69.03419	12.8
69.07072	8.6
71.04986	2.9
73.36655	1.2
79.05489	20.3
81.07054	9.5
83.04971	10.1
83.08595	2.6
85.06483	1.7
91.05472	27.9
93.07043	17.5
95.04977	6.7
95.08610	7.2
97.06522	5.8
103.03922	3.2
103.05461	2.0
105.07027	32.1
107.04927	4.6
107.08586	40.3
109.06509	7.7
109.10123	3.9
111.08054	2.1
115.05442	4.1
116.06230	2.1
117.06994	11.6
119.08573	18.8
121.06501	11.1
121.10130	20.5
123.08046	6.3
123.11690	2.2
128.86090	1.6
129.06993	5.8
130.07779	4.0
131.08556	65.0
133.09106	2.6
133.10124	55.7
135.08038	15.5
135.11649	3.4
143.08539	8.3
144.09299	2.3
145.06480	6.8
145.10103	30.0
145.59598	1.3
147.06349	1.3
147.08063	6.2
147.11668	8.2
149.09627	16.9
149.13254	10.5
151.69788	1.1
155.08496	2.8
158.10930	9.8
161.09627	4.5
163.07608	7.4
163.11137	3.7
163.14806	4.3
173.09610	11.2
173.13261	25.5
191.10678	22.6
191.14291	100.0
192.14656	2.1
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
52.08540	1.6
53.03945	1.9
55.05504	7.0
57.03424	4.7
57.07056	2.4
63.67274	1.4
67.05498	13.3
69.03413	5.8
69.07063	13.2
69.49387	13.3
71.04989	8.4
79.05484	13.2
81.07054	16.4
83.04952	6.4
83.08611	5.5
85.06538	4.6
91.05476	25.7
92.32644	1.8
93.07040	20.0
95.04956	10.2
95.08611	14.8
97.06536	11.6
103.03938	4.1
103.05451	4.8
105.07025	52.7
107.05032	1.9
107.08584	38.8
109.06519	20.4
109.10154	30.5
111.08092	2.4
115.05437	3.8
116.06174	2.0
117.07015	8.7
118.04167	1.9
118.07772	2.2
119.08577	22.7
121.06489	6.4
121.10125	22.8
122.07304	4.1
123.08047	13.4
123.11700	4.4
129.06950	4.9
131.04935	3.0
131.08559	57.1
133.06490	2.0
133.10120	100.0
135.08038	48.2
135.11685	5.0
143.08556	11.9
144.09293	4.5
145.10100	21.9
147.08035	2.6
147.11667	13.7
148.05128	2.6
149.09607	15.9
149.13229	14.6
150.10373	18.5
158.10915	13.6
161.09671	1.8
163.07542	6.4
163.11127	2.2
163.14828	2.5
171.11684	2.8
172.70064	1.5
173.09627	2.3
173.13257	56.2
176.11926	3.7
191.07028	2.2
191.10681	3.9
191.14296	75.5
192.14574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.86474	1.8
55.01862	4.4
55.05511	23.8
57.03423	8.1
57.07056	6.3
66.40905	1.8
66.87922	1.8
66.98202	2.1
67.05500	18.7
69.03427	81.2
69.07059	15.2
71.03222	4.7
71.04971	4.0
79.05486	26.5
81.03395	7.9
81.07053	40.0
83.04954	8.1
83.08607	9.8
85.06533	4.2
91.05482	44.6
93.07042	43.7
95.04958	9.1
95.08604	21.3
97.06507	5.7
103.03914	6.0
103.05457	4.0
105.07028	75.7
105.43269	2.0
107.04890	3.4
107.08591	65.1
107.52864	1.9
109.06519	12.6
109.10137	11.0
111.08067	3.6
115.05389	3.0
117.07027	15.0
119.08567	34.8
121.06506	14.7
121.10139	34.8
123.08061	5.6
128.06252	2.4
129.07018	9.6
130.07793	3.9
131.08565	70.5
133.06432	2.2
133.10129	55.7
135.08051	21.4
135.11671	8.2
137.09595	2.9
143.08551	12.9
144.09286	6.1
145.10117	38.2
147.08044	2.4
147.11708	19.3
149.09619	14.6
149.13217	13.6
158.10916	15.4
161.09676	2.6
161.13200	6.5
163.11191	6.3
163.14806	17.9
173.13261	51.7
191.14302	100.0
192.14632	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01870	3.5
55.05260	1.0
55.05505	10.3
56.96563	8.0
57.03437	4.8
57.07068	2.4
61.02920	0.8
61.04042	0.7
61.55677	0.7
65.03931	2.0
67.05502	11.5
68.05039	0.8
68.95479	0.7
69.03426	22.7
69.07066	10.0
71.04997	4.7
71.07261	0.7
73.02912	2.4
77.03912	0.8
79.05489	18.7
81.03415	2.0
81.07053	17.8
83.04980	9.3
83.08612	2.8
83.67008	0.7
85.02899	7.5
85.06531	3.3
91.05475	38.9
92.05807	0.6
92.98574	0.7
93.07039	23.1
94.49909	0.7
95.04962	9.2
95.08604	15.0
97.02886	1.4
97.06529	4.0
98.21582	1.4
98.97572	1.1
99.08087	0.9
103.03931	11.7
103.05473	4.3
105.03403	0.7
105.07026	48.3
106.07334	1.1
107.04948	6.3
107.08586	41.9
109.06519	9.2
109.10136	6.7
111.08104	1.9
115.05463	4.1
116.06239	4.9
116.98602	2.1
117.07005	17.5
118.04179	0.7
119.04896	1.2
119.08575	19.2
120.08090	1.5
121.06492	11.0
121.10132	23.3
122.06008	1.4
122.10498	0.9
123.08073	5.3
123.11743	1.4
128.06216	2.1
128.98653	1.1
129.06982	7.3
130.07780	6.3
131.04926	3.1
131.08562	100.0
132.05634	0.9
132.08913	2.4
133.06523	1.7
133.10123	34.5
134.99643	1.3
135.04449	1.5
135.08060	17.1
135.11642	5.6
136.06160	1.6
136.08762	1.0
137.09589	0.7
140.07054	3.4
143.08565	8.2
144.09337	2.2
145.02840	1.1
145.06482	4.1
145.10117	47.9
146.05994	2.0
146.10538	1.3
146.99564	1.2
147.08055	5.2
147.11679	10.3
148.05028	0.9
148.06050	3.0
148.07306	0.6
148.08727	2.1
149.05972	2.2
149.08411	1.5
149.09605	22.3
149.13261	9.8
150.10309	1.0
150.96832	0.9
151.10995	0.9
158.07260	1.3
158.10886	9.2
159.11531	0.7
160.05060	7.2
161.09633	1.5
161.13315	1.5
163.03925	1.5
163.07524	4.5
163.11147	6.8
163.14844	6.7
164.06981	1.1
167.05505	0.9
171.11790	0.9
173.05820	0.8
173.09653	7.6
173.13260	32.1
176.04721	0.9
176.12050	0.9
188.54938	1.9
191.03394	2.9
191.07028	5.0
191.08965	1.8
191.10660	22.8
191.14313	55.0
192.06380	1.0
192.10103	1.2
192.14641	2.2
214.03842	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	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.41113	0.7
53.03932	1.4
55.01870	5.2
55.05513	3.5
57.03423	1.8
57.07077	0.9
64.40397	0.7
65.03940	2.1
67.05495	11.0
69.03415	2.6
69.07051	3.3
71.02818	1.7
71.04982	2.2
79.05488	23.4
81.03412	1.5
81.07049	5.8
83.04972	4.5
83.08588	1.3
85.00922	0.8
85.02906	1.1
85.06544	1.5
91.05478	34.5
92.05849	1.1
93.07034	14.1
95.04955	7.3
95.08607	2.5
97.06520	1.6
103.03939	2.3
103.05460	3.2
105.03395	0.8
105.07020	26.2
107.04950	11.8
107.08589	22.6
109.06496	5.7
109.10155	3.8
111.04434	0.8
115.05442	4.6
116.06207	4.5
117.07011	21.4
119.08577	18.8
121.06509	11.4
121.10126	8.7
123.08074	1.9
125.05969	0.7
128.06207	1.6
129.06999	12.3
130.07780	8.3
131.08559	100.0
132.05698	1.2
132.08911	2.7
133.06485	1.6
133.10127	12.5
135.04433	3.6
135.08054	9.9
135.11682	3.3
143.08563	4.7
145.06477	9.0
145.10117	48.2
146.10472	1.5
147.08041	13.8
147.11664	3.8
149.05965	2.6
149.09616	22.5
149.13249	2.4
153.07033	1.3
155.08560	5.3
158.10927	2.0
161.09656	0.7
163.07532	20.7
163.11183	8.1
163.14833	0.9
173.09612	27.8
173.13261	7.5
191.10663	59.2
191.14297	15.3
192.10947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96567	2.2
57.03446	0.4
61.02896	0.4
66.25836	0.3
67.05535	0.4
67.23162	0.3
69.03429	1.0
69.71006	0.7
69.71400	2.4
70.06603	0.6
77.76543	0.3
79.05495	0.8
81.07032	0.5
85.02911	1.6
86.85608	0.3
89.03886	1.8
91.05492	1.1
93.07052	0.3
95.04962	0.4
95.06155	0.4
98.21485	0.7
103.03929	2.7
105.07056	1.1
106.06559	0.5
107.04939	0.6
107.08569	0.6
116.04987	4.1
116.98675	0.5
117.07015	0.8
118.06559	1.2
119.01881	0.3
119.08601	0.5
119.55542	0.4
120.05580	0.3
120.06589	0.3
120.08088	0.5
120.72553	0.4
121.02862	0.4
121.06512	0.6
121.10105	0.4
130.06523	2.5
133.05252	0.5
134.06006	1.1
134.99693	0.5
135.04372	0.4
144.04427	0.9
144.08069	2.3
145.02737	0.4
145.06435	0.8
146.05981	0.9
146.99588	0.5
147.96884	0.5
148.06126	0.8
148.97424	0.5
149.01212	0.6
162.05502	100.0
163.02765	0.6
163.03943	0.6
163.05905	2.4
166.00197	0.4
167.97116	0.3
172.07587	0.8
174.05504	0.5
175.06267	0.6
190.04990	24.4
190.08548	3.8
191.03447	0.4
191.05389	0.8
191.06958	0.7
191.10583	0.4
191.14278	0.6
199.59340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94930	1.1
53.03957	2.1
55.01863	4.8
55.05503	2.0
56.05027	4.0
56.96562	100.0
57.03435	20.3
58.96143	1.0
59.04982	1.5
60.04514	4.0
60.27704	1.0
60.95852	2.1
61.02667	1.1
61.02926	10.0
61.04046	6.3
67.05506	1.2
68.05020	2.8
69.03421	17.7
69.07091	1.2
70.06591	3.6
70.68475	1.1
71.01346	4.5
71.04986	1.6
71.56572	1.7
71.95258	2.3
72.04533	1.6
72.08145	4.4
73.02916	24.3
74.06065	2.5
74.97601	6.4
75.04454	2.3
76.05145	1.8
79.05482	2.9
79.20061	1.0
81.03406	4.7
81.07034	2.6
83.04971	1.3
84.04497	5.8
84.08134	4.9
84.96017	4.7
85.02903	41.0
86.06048	3.5
86.09672	2.0
87.04482	1.8
88.03999	3.1
89.00787	2.6
90.01562	1.2
90.94825	1.7
91.05497	2.6
92.01295	3.9
93.07035	2.7
95.04977	1.9
96.01525	1.7
96.04504	1.2
97.02885	16.7
98.01289	2.4
98.97579	43.4
99.04440	3.8
100.99135	4.8
101.00716	1.2
101.02379	2.8
102.05527	1.2
103.01297	4.9
103.03938	71.0
104.01294	4.8
104.04281	1.2
105.02104	1.3
105.07020	2.3
107.01834	1.6
107.04947	2.1
107.08600	4.1
108.01537	1.4
109.02884	2.3
109.06550	1.4
109.10108	1.3
110.01267	9.5
110.07152	4.5
110.97564	9.2
112.99140	3.6
113.01719	1.3
115.05499	1.3
115.52102	1.6
116.01272	2.5
116.07124	1.9
116.08205	1.4
116.98618	42.5
117.01949	4.5
117.04548	1.9
117.07000	2.4
118.01066	1.3
119.00181	6.5
119.01820	15.0
119.08552	1.8
119.52036	1.7
120.06541	5.6
121.05122	3.0
121.06503	3.1
121.10193	2.9
122.01302	1.9
122.06039	3.7
125.01768	3.5
127.03858	3.1
128.02298	7.5
128.10730	1.1
128.98607	19.4
130.04996	3.7
130.52571	3.0
131.00168	12.6
131.01830	3.7
131.08623	2.3
132.06552	1.8
132.95789	1.7
133.01538	1.4
133.03487	1.4
133.10152	2.2
134.99658	26.3
135.08029	2.3
137.01210	1.3
137.02852	1.4
140.02318	5.5
143.00200	2.1
144.98079	1.7
145.03951	2.0
145.10129	1.6
146.02339	3.9
146.05983	2.9
146.99646	30.2
147.03055	2.0
148.03886	2.7
148.06036	20.5
149.01170	47.4
149.02904	2.7
149.09608	1.5
149.13246	2.0
149.96103	1.2
150.96895	2.3
151.04884	3.2
152.02261	2.1
153.00662	3.3
156.07730	2.1
158.01230	1.4
158.56744	1.3
158.99677	6.9
161.01248	5.5
161.02826	2.3
162.07806	1.4
162.99167	5.3
164.05647	4.0
165.00745	8.1
167.02271	29.9
167.05550	1.9
170.01184	1.2
170.03284	1.3
170.99670	5.5
172.02826	2.3
173.01242	1.7
173.05702	3.0
173.13257	3.9
174.07698	2.1
177.00711	9.5
179.02283	1.4
182.99503	2.0
187.00414	5.6
189.00652	13.5
190.98634	2.2
191.02251	3.7
191.06779	7.2
191.08191	2.2
191.10553	4.0
191.14236	10.0
195.01939	1.3
201.00681	5.6
205.01498	6.4
207.01765	2.3
208.99683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.24055	0.6
53.03938	1.3
53.74421	0.6
55.05512	11.9
57.03440	1.4
57.07074	2.1
64.31244	0.6
65.03928	1.0
66.58829	0.8
67.05504	17.0
69.03432	1.3
69.07067	17.5
71.56895	0.9
71.57306	1.0
79.05492	11.2
81.06580	1.5
81.07055	28.3
82.34203	0.7
83.08617	4.7
85.02899	4.9
87.00823	1.5
91.05475	26.0
93.07039	15.7
95.04977	1.6
95.08602	60.1
97.10170	2.8
103.05461	1.7
104.33480	0.8
105.07026	63.3
106.07340	0.9
107.08591	25.0
109.06499	1.3
109.10158	12.2
109.10840	1.1
115.05476	1.4
117.07030	4.7
117.41380	0.8
118.07792	0.9
119.08578	90.2
120.08866	1.6
121.10140	12.0
128.06230	1.6
129.07007	2.0
131.08588	11.6
132.09296	1.0
133.06488	1.6
133.10126	70.1
134.10806	0.9
135.11684	1.0
143.08574	2.3
145.10123	11.1
146.07217	1.0
146.10924	4.8
147.07979	3.4
147.11684	45.4
148.12021	1.1
156.09323	2.8
159.07973	0.8
159.11671	5.2
160.08730	0.7
160.12451	4.1
161.05980	1.1
161.09586	1.6
161.13257	12.0
171.08047	0.7
171.11668	2.9
172.12355	0.7
174.06764	0.8
174.10477	1.2
174.14052	4.6
187.14825	0.8
189.09116	2.0
189.12790	7.2
189.16379	100.0
190.16682	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.02377	0.7
53.03930	1.0
55.05510	8.8
57.07055	3.0
60.91039	0.7
61.02910	0.8
63.44049	0.8
65.03950	1.3
67.05180	0.8
67.05500	11.1
69.07067	13.1
70.46119	1.4
70.46512	2.6
73.59697	0.7
73.61147	0.8
79.05495	7.9
81.06603	0.8
81.07059	16.9
83.08619	5.2
84.04478	3.1
85.02890	1.8
85.04823	4.5
91.05476	22.1
93.07044	9.6
95.04936	1.4
95.08600	33.1
103.05476	0.8
105.07023	57.8
106.07294	1.1
107.08584	18.2
109.06489	1.3
109.10143	7.9
115.05437	1.3
116.06194	0.9
117.06979	3.9
117.90012	0.8
118.07794	1.0
119.08575	80.8
120.08897	1.6
121.10130	10.7
128.06207	1.2
129.06975	2.2
131.08559	13.5
133.10123	74.9
134.10335	1.1
135.11655	1.0
141.06998	1.0
143.08534	2.0
145.10117	15.2
146.05972	0.8
146.10876	5.0
147.08025	2.3
147.11679	50.6
148.12042	1.5
149.02449	0.8
149.97868	0.8
156.09340	2.9
159.11708	5.1
160.12463	4.5
161.13246	12.1
171.02055	1.0
171.11659	2.9
174.10382	1.2
174.14037	3.2
180.02515	1.0
189.06702	1.0
189.09120	3.5
189.12709	7.4
189.16370	100.0
190.08635	1.8
190.16753	1.5
195.03172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.89596	0.9
55.05273	0.8
55.05509	11.3
57.07064	2.4
61.81894	0.9
63.57268	0.8
65.03923	1.2
67.05177	0.9
67.05502	13.6
69.03416	1.2
69.07067	17.0
79.05496	10.1
81.06584	1.7
81.07053	30.5
83.08625	4.7
84.04511	1.9
84.39555	0.8
85.02887	5.7
85.04822	2.4
87.00822	1.4
91.05475	25.4
93.07034	15.3
95.04971	2.0
95.08602	61.3
97.10152	1.9
103.05437	1.4
105.07026	62.6
107.08587	25.4
109.10152	11.5
115.05434	1.4
117.06998	4.7
119.08574	93.8
120.08900	1.3
121.09447	1.2
121.10151	10.1
128.06239	1.4
129.06958	2.4
131.08562	10.9
133.10120	68.7
134.10489	1.1
141.07024	1.1
143.08594	2.0
145.10124	12.6
146.10939	4.4
147.08089	4.2
147.11678	46.3
156.09293	2.5
159.11720	5.5
160.08788	1.3
160.12430	3.0
161.06001	1.4
161.09637	1.0
161.13226	12.9
171.11636	4.4
174.10376	2.2
174.14043	3.9
177.16547	0.9
189.05360	1.2
189.09134	3.4
189.12766	9.1
189.16376	100.0
190.08617	1.4
190.16751	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	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
56.96574	0.9
57.04558	9.3
60.08162	18.1
67.05493	2.0
70.06588	100.0
71.04999	2.2
71.06927	0.9
71.48098	1.2
72.08149	6.4
74.07198	32.1
84.08138	80.0
85.06538	1.1
85.08442	0.9
86.97533	0.6
88.07623	1.3
97.99253	0.6
100.02498	0.6
102.09200	0.7
112.08741	2.6
112.89603	1.0
113.07138	0.8
114.89321	0.8
115.08688	5.7
116.07085	33.6
126.10303	1.3
128.00198	1.0
130.08632	24.9
130.09604	1.2
133.09741	3.1
144.11310	16.4
144.13841	2.2
145.02861	1.6
146.01285	2.4
158.09238	6.1
160.08138	0.6
162.38567	0.6
163.03970	1.5
164.02313	1.4
172.10794	5.0
189.13513	22.8
189.16042	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	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.01860	2.8
55.05518	3.0
56.05030	2.2
56.96563	16.7
57.03435	2.7
57.04560	8.9
58.02941	0.6
58.06578	0.6
60.04511	0.6
60.05642	1.8
60.07874	0.9
60.08162	10.2
61.02917	1.3
67.05494	2.0
69.03428	1.9
69.07073	0.7
70.02937	0.7
70.06590	100.0
70.98117	2.8
71.04994	3.6
71.06931	1.2
71.56293	0.8
72.04518	1.0
72.08155	32.4
73.02919	2.2
74.02445	0.4
74.07202	28.3
74.97598	1.5
81.03429	1.0
81.07061	0.5
82.06576	0.7
83.01337	0.9
84.04527	2.4
84.08141	57.8
85.02905	2.0
85.06538	1.2
85.08474	0.9
85.46913	0.5
86.06104	0.6
86.09705	9.6
88.07635	0.9
88.99165	3.0
97.02876	0.9
97.07617	0.6
97.99177	1.2
98.04768	0.6
98.06077	1.0
98.97578	11.9
99.02042	0.6
100.99131	0.5
101.00958	1.1
101.01723	11.7
101.02329	0.8
104.01875	1.5
105.02087	0.5
107.00184	1.2
110.97597	1.1
111.00786	1.6
111.02864	0.6
112.07602	0.8
112.08723	1.9
113.02364	1.7
115.08697	5.5
116.00221	1.5
116.07091	29.5
116.86626	0.5
116.98618	11.9
118.04973	0.8
118.08664	5.4
119.00179	0.7
119.01899	4.4
121.01675	1.0
126.05534	0.6
126.09136	2.6
126.10252	1.7
126.42325	0.5
128.00197	2.3
128.98628	1.4
129.01834	1.4
129.03951	0.6
130.05009	1.8
130.08635	16.9
131.00211	0.9
131.01920	0.9
131.03510	0.7
133.03458	1.3
133.09743	2.1
133.21652	0.5
134.01266	0.6
134.99663	9.4
137.02950	1.3
140.00269	0.7
143.11790	1.3
144.10159	0.9
144.11313	15.1
144.13792	1.5
145.02873	2.0
146.01230	4.9
146.99626	3.0
147.02228	11.0
151.04477	0.5
153.00697	1.7
157.01346	1.5
157.03490	1.5
158.01347	0.5
158.09261	4.2
158.99596	0.8
161.01176	0.9
161.03000	0.8
163.03969	1.7
164.02312	1.5
165.00731	2.9
172.09639	0.5
172.10840	4.3
173.03024	0.7
174.99229	1.2
175.04576	0.8
177.00659	1.2
183.01678	0.8
185.02945	2.1
189.01920	1.2
189.07053	0.8
189.13483	18.2
189.15906	4.4
193.00229	1.7
203.04080	1.1
207.02922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.25783	1.1
55.05499	2.3
67.05495	1.6
69.03423	5.6
69.07063	2.3
69.63854	8.0
75.01161	1.2
77.40478	1.2
79.05476	4.3
81.07051	2.4
83.04981	1.2
85.02877	2.2
87.00846	1.2
91.05470	7.7
93.07038	1.7
95.04958	1.7
101.60177	1.1
105.07031	20.5
107.08586	4.2
109.06502	1.8
115.05435	2.2
117.07026	6.3
119.04947	1.7
119.08577	32.1
121.10133	1.2
128.06252	6.2
129.06990	5.6
130.07758	4.0
131.08563	10.1
133.06454	2.9
133.10133	10.5
141.06984	13.1
142.07744	1.3
142.54063	1.1
143.08548	9.9
144.09280	3.2
145.06512	2.0
145.10132	23.9
145.26248	1.1
146.10898	1.9
147.08031	13.3
147.11676	25.2
155.08543	3.3
156.09349	67.2
157.09668	2.9
159.08018	12.3
159.11679	13.9
160.08812	3.3
161.09590	6.4
161.13252	9.1
171.11685	74.9
172.12033	2.4
174.10385	17.1
189.12732	100.0
190.13084	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.2
55.05507	7.3
57.07057	2.4
59.05008	1.8
65.03931	1.6
67.05495	6.5
69.03421	5.5
69.07058	5.7
70.69857	4.1
79.05484	6.4
81.07043	6.0
83.04981	2.6
91.04987	0.9
91.05479	21.3
93.07050	7.7
94.07505	1.3
95.04952	5.5
95.08602	1.8
97.06548	1.2
103.05431	2.3
105.07026	48.5
107.04949	2.2
107.08588	9.9
109.06525	2.7
115.05447	3.2
116.06232	1.6
117.07024	12.2
119.04916	4.7
119.08579	58.1
121.06517	6.2
121.10141	4.7
123.08047	1.8
128.06224	6.0
129.06998	8.3
130.07761	3.7
131.04877	1.3
131.08563	25.9
133.06435	6.0
133.10126	26.3
135.08023	4.9
141.06966	9.4
142.07747	3.3
143.08533	12.1
144.09308	5.0
145.06467	6.3
145.10129	21.4
146.07315	2.0
146.10831	2.0
147.08041	39.5
147.11673	28.9
155.08572	2.5
156.09346	59.4
157.09969	2.2
159.08060	19.6
159.11685	39.1
160.08823	4.7
161.09619	8.5
161.13239	27.3
162.13652	1.3
171.11684	53.1
172.12065	1.3
174.10399	21.7
181.20567	1.4
189.12730	100.0
190.13025	2.2
199.56128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05498	4.4
57.07066	2.1
65.03926	2.0
67.05493	5.6
69.03408	3.9
69.07069	5.1
69.34326	1.5
71.37189	2.8
73.97881	1.6
74.89876	1.2
79.05499	6.9
81.07049	4.6
83.04989	2.2
91.05487	18.8
93.07044	6.2
95.04965	4.1
95.08618	2.0
103.05441	1.7
105.07035	44.0
107.08588	7.1
109.06510	1.9
115.05431	2.7
116.06212	2.7
117.07017	13.7
119.04925	2.9
119.08578	62.3
120.08877	2.1
121.06480	4.6
121.10096	2.3
128.06212	8.0
129.07025	9.2
130.07777	5.1
131.08569	35.2
133.06485	4.7
133.10133	23.3
135.08006	2.1
141.06969	12.6
141.24559	1.3
142.07796	2.8
143.08548	12.4
144.09323	10.3
145.06494	3.8
145.10132	15.9
146.07263	2.1
146.10948	3.0
147.08052	31.7
147.09201	2.1
147.11697	26.3
150.90990	1.7
155.08556	5.3
156.08061	3.1
156.09341	64.1
157.10059	2.2
159.08086	11.8
159.11690	78.3
160.08792	6.4
161.09607	5.5
161.13263	23.9
171.11693	74.3
172.11850	1.8
173.09604	1.7
174.10396	16.8
189.12740	100.0
190.13126	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
53.73315	1.7
55.22193	1.7
67.05489	2.9
69.03411	6.3
69.07037	3.6
79.05476	6.3
81.04350	1.7
81.07039	3.7
86.09751	2.0
86.62543	1.6
91.05459	15.8
92.13121	1.7
93.07032	2.1
93.89088	1.6
95.04996	2.2
105.07024	33.5
107.08593	5.6
115.05453	2.0
116.06228	2.4
117.06999	6.2
119.04927	2.6
119.08573	39.4
121.06540	2.8
127.79824	1.7
128.06224	10.8
129.06981	8.5
130.07782	3.6
131.08525	11.8
133.06427	4.4
133.10103	11.1
141.06953	15.8
143.08553	15.0
144.09308	3.8
145.10117	27.2
146.07291	1.8
146.10838	2.7
147.08025	20.2
147.11694	26.5
155.08481	4.7
156.09343	81.2
159.07983	9.2
159.11700	27.3
160.08810	2.8
161.09593	5.1
161.13248	12.4
171.11679	84.1
174.10382	12.4
175.53365	2.3
188.37250	1.8
189.09140	5.8
189.12729	100.0
190.13036	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96447	1.3
55.05499	2.6
55.52145	1.3
57.03419	1.2
67.05516	2.2
69.03436	10.1
79.05474	4.2
81.07031	2.0
91.05476	13.5
93.07018	3.3
95.04997	2.8
95.08599	2.1
105.07023	19.0
107.08558	4.0
115.05456	3.8
117.07016	6.5
119.08575	34.5
121.10123	1.9
128.06241	7.3
129.06970	5.8
130.07808	9.2
131.08569	11.2
133.06425	1.6
133.10141	13.2
141.06979	19.0
143.08533	9.8
144.09320	3.7
145.06485	2.7
145.10114	20.9
146.10806	1.6
147.08035	10.7
147.11679	17.9
149.88551	1.4
155.08513	4.8
156.09338	80.0
157.09727	1.7
159.08089	10.3
159.11687	15.3
160.08853	1.8
161.09550	1.9
161.13322	3.0
166.00026	1.3
171.11678	85.7
172.12019	3.2
174.10405	12.7
189.12727	100.0
189.16356	5.2
190.08618	2.8
190.12982	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.1
67.05487	1.8
68.49321	1.2
69.03426	6.3
79.05473	3.4
81.07066	2.1
84.04520	1.3
86.06718	1.1
90.85048	1.2
91.05478	12.2
93.07047	2.1
95.08572	1.2
96.68203	1.1
103.05468	1.3
105.07018	22.4
107.08572	4.5
109.06488	1.5
115.05452	3.5
117.06982	6.2
117.66827	1.1
119.04930	1.2
119.08569	24.7
121.10140	2.3
128.06230	6.6
129.07001	6.0
130.07768	4.9
131.08566	10.7
133.06479	3.9
133.10098	9.1
141.06969	19.7
142.07765	1.9
143.08511	9.6
144.09302	2.9
145.06441	4.3
145.10110	18.5
147.08054	9.3
147.11696	16.6
149.02284	1.4
155.08580	5.8
156.09332	88.4
157.09712	3.4
159.08026	9.3
159.11681	20.7
160.08810	1.8
161.09608	2.9
161.13234	2.4
171.11674	89.1
172.11955	3.1
174.10408	14.4
189.12724	100.0
189.16245	3.3
190.05014	1.7
190.08580	1.2
190.13036	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41381	0.9
55.01866	1.8
55.05508	7.0
56.96570	4.6
57.34150	1.0
58.70893	0.9
59.04990	1.0
65.03933	1.7
67.05505	6.2
69.03398	2.4
69.07074	8.0
70.61355	2.8
77.03915	1.2
79.05490	8.7
79.18709	0.9
81.07045	10.0
83.04945	1.7
84.04501	1.3
85.02874	1.1
91.04907	1.4
91.05474	22.6
93.07036	8.5
95.04955	4.9
95.08606	11.5
103.05437	1.6
104.06286	0.8
105.07024	40.9
106.07300	1.6
107.04917	1.8
107.08596	8.2
109.06509	8.8
109.10139	2.1
115.05429	2.2
116.06205	2.0
117.07009	7.3
119.08575	54.3
120.08872	1.2
121.06489	3.9
121.10122	5.3
126.45551	0.9
128.06236	6.0
129.06999	7.1
130.07755	3.5
131.04878	1.5
131.07585	2.1
131.08549	23.9
132.05702	5.5
133.06470	3.6
133.09129	1.6
133.10123	27.6
135.08040	2.5
138.05931	1.0
139.02229	1.4
141.06998	5.7
142.07816	2.0
143.08585	9.9
145.06461	3.7
145.10104	18.2
146.07315	2.5
146.10912	7.5
147.08043	16.3
147.11681	53.7
148.11969	1.6
155.08508	1.6
156.09332	27.7
158.01251	1.3
159.02003	1.1
159.06848	1.7
159.08064	26.9
159.11656	2.5
160.08835	2.7
160.12445	1.9
160.53201	1.0
161.05951	0.9
161.09648	6.0
161.13245	11.0
166.09100	1.9
167.01749	15.6
169.02283	1.9
171.10263	1.8
171.11684	23.7
173.01779	4.4
173.09593	7.3
174.02502	2.3
174.10379	30.5
174.52931	4.5
175.10909	1.3
176.02336	5.0
178.02707	1.2
178.52515	1.6
179.52171	5.0
181.01462	5.8
182.02287	1.6
187.03329	13.1
188.02261	5.7
188.52666	28.1
189.02853	2.5
189.05399	2.2
189.09129	3.5
189.12729	100.0
189.16356	19.8
189.53534	1.0
190.08607	3.2
190.13045	3.8
196.03871	53.9
196.54021	4.4
197.02716	1.3
197.53169	5.8
198.54164	5.4
198.99126	2.4
200.03484	4.2
207.54662	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.4
59.04991	2.9
59.57670	1.4
67.05486	3.4
69.03419	8.1
69.07051	4.5
70.63020	2.6
79.05499	9.5
81.07056	15.0
83.04961	3.1
91.05479	24.1
93.07035	11.5
95.04954	4.7
95.08583	1.7
95.60400	1.4
97.06471	2.4
103.05471	2.5
105.07026	75.4
106.07372	2.7
107.04970	1.9
107.08591	8.1
109.06481	3.6
115.05433	2.6
116.06186	1.7
117.07017	5.8
119.04942	4.5
119.08575	100.0
120.08881	3.2
121.06494	12.4
121.10170	2.3
128.06218	6.9
129.07019	6.5
130.07741	4.1
131.08569	25.4
132.05678	2.6
133.06494	5.6
133.10133	21.4
135.08044	4.9
141.06978	7.3
142.07690	2.7
143.08560	17.2
145.06502	4.0
145.10118	22.9
146.07243	2.2
146.10883	9.1
147.08037	40.5
147.11682	81.6
148.12027	2.5
155.08562	2.0
156.09343	41.5
157.09792	2.2
159.08044	14.1
159.11679	10.7
160.08812	9.7
161.09612	13.4
161.13243	31.5
171.11674	45.8
172.11983	1.5
174.10402	19.8
185.88737	1.3
189.12733	91.7
190.13120	2.2
193.85916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.4
64.05914	1.5
67.05488	1.5
69.03416	8.4
69.07063	2.0
69.37861	1.2
71.08340	2.5
79.05476	4.0
81.07036	5.7
91.05472	14.9
93.07036	7.3
95.04906	2.1
97.06497	1.4
101.83243	1.2
103.05416	1.5
103.49764	1.1
105.07018	33.5
107.08565	5.5
109.06479	1.6
115.05457	1.7
116.26958	1.2
117.06995	5.8
119.04944	3.4
119.08568	46.1
119.30489	1.1
121.06490	2.7
121.10081	1.7
128.06198	5.1
129.07033	6.5
130.07742	5.7
131.08568	10.9
132.09337	2.3
133.06468	3.9
133.10121	11.8
141.06996	11.5
142.07729	1.5
143.08556	13.2
144.09337	2.5
145.06471	2.2
145.10120	25.1
146.10861	2.6
147.08037	18.5
147.11673	30.6
155.08542	3.4
156.09331	71.8
157.09674	3.4
159.08041	8.3
159.11676	15.7
160.08810	3.4
161.09598	5.8
161.13257	15.5
171.11681	93.2
172.12042	1.7
173.09625	1.6
174.10423	12.4
189.12726	100.0
190.13072	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.86984	0.6
55.01854	0.5
55.05510	0.6
67.05499	0.8
69.07067	0.8
71.56911	0.7
79.05475	1.4
81.07053	2.1
91.05462	4.9
93.07032	1.7
95.04984	0.9
95.08599	2.3
103.05460	1.8
105.07036	6.5
107.04964	0.7
107.08604	1.3
109.96845	0.5
115.05460	2.6
116.06264	0.7
117.07009	2.1
118.07788	0.8
119.04933	1.5
119.08572	7.3
121.06535	0.8
127.05425	0.5
128.06215	21.1
129.07002	54.8
130.07736	1.8
131.04926	8.7
131.08566	10.2
133.06479	2.1
133.10123	5.3
134.47710	0.5
141.06999	1.1
143.08557	3.7
144.05684	1.0
145.06491	8.6
145.10120	2.5
146.03593	1.0
146.07259	10.0
147.04420	0.8
147.08049	2.5
147.11705	4.2
155.06026	1.8
156.05682	0.8
156.09319	6.6
157.06483	24.3
158.07272	10.8
159.04422	6.2
159.08069	2.5
159.11646	1.1
160.05139	0.6
161.05998	2.4
161.09598	5.4
161.13220	1.9
171.08022	0.9
171.11693	5.3
173.05989	2.0
174.06763	75.6
175.07164	1.7
189.09102	100.0
189.12674	8.8
189.16370	2.9
189.90393	0.6
190.09604	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	188.0916
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.17038	0.3
53.03926	0.4
55.05500	0.7
56.05032	2.4
57.03435	1.6
59.04999	2.4
59.89001	0.3
60.04529	1.8
60.04784	0.3
61.02925	8.5
64.98144	0.3
67.04221	0.3
67.05518	0.5
68.05037	0.8
69.03433	1.6
69.36063	3.3
70.02952	4.0
71.04996	1.6
72.04506	0.6
72.08152	0.5
73.46666	0.4
75.04455	0.6
80.58797	0.4
82.06590	4.4
83.04975	5.9
84.04504	100.0
85.02904	20.6
85.03442	0.6
85.04835	0.7
86.06051	0.9
87.04471	6.0
91.05469	0.9
98.06107	0.6
99.04472	0.5
100.07623	2.2
102.05555	0.5
105.07035	1.2
110.06045	4.2
111.04440	2.2
112.04002	0.6
118.06564	0.5
119.08608	1.2
126.05512	4.6
128.07068	5.6
129.05490	1.2
132.08925	0.5
133.10121	0.7
142.08591	0.5
145.09016	0.3
145.10201	0.6
146.06029	0.5
146.08116	1.0
146.10487	1.5
147.08037	0.4
147.11717	0.8
169.35655	0.3
170.08150	0.8
188.03551	0.4
188.07397	0.7
188.09178	8.0
188.10603	0.5
188.15167	1.4
189.12741	0.8
189.16452	0.8
192.54266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.67488	0.3
55.05522	0.5
56.05029	0.4
56.96565	1.4
60.04499	0.4
61.02929	0.8
67.05518	0.5
69.03422	0.7
69.07072	0.4
70.02962	0.3
70.47704	1.3
71.08671	0.4
72.08161	0.4
73.23068	0.3
81.07069	0.5
82.06583	0.7
83.04981	0.7
84.04502	6.3
85.02887	1.9
86.06071	0.4
87.04487	0.6
91.05481	7.7
92.05814	0.3
93.07064	0.4
95.05017	0.5
98.97574	3.5
100.22724	0.3
103.05460	0.7
105.07029	1.9
110.06008	0.4
115.05444	15.5
116.04924	0.4
116.05721	0.8
116.98618	1.6
117.05777	1.8
117.07012	6.1
118.06536	83.2
119.06877	1.4
119.08560	1.7
128.06198	0.5
128.07068	0.7
129.07024	0.8
131.00177	0.6
131.08560	0.7
132.08061	0.9
132.08943	0.6
133.10121	0.7
134.99644	1.3
142.06516	14.0
143.07318	15.8
143.08522	1.2
144.04437	1.1
144.08075	24.1
145.06508	1.7
145.08440	0.6
145.10106	0.6
146.06000	100.0
147.06374	2.5
147.08040	1.1
149.01230	1.2
155.06015	0.9
156.09352	0.9
157.06398	0.5
158.99602	0.5
160.07544	1.4
160.09630	0.6
161.08202	0.4
161.09593	0.8
161.13226	0.4
170.06003	30.3
171.06343	2.2
171.11650	1.3
173.01216	0.6
174.06766	1.0
174.10397	0.6
177.00748	1.8
188.07040	21.7
188.09003	0.9
188.15176	0.6
189.07474	0.7
189.09052	1.4
189.12732	2.6
191.02263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0916
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.59224	0.3
55.05501	1.3
56.05029	2.5
56.96540	0.4
57.03431	1.2
58.06601	0.5
59.04988	2.3
60.04524	1.2
61.02923	8.3
64.15030	0.4
67.04249	0.4
67.05495	0.5
68.05013	0.7
69.03433	1.1
69.08939	0.3
70.02959	3.0
70.21170	1.5
71.05000	1.6
72.04506	0.8
72.08179	0.4
74.06075	0.4
75.04448	0.5
79.05491	0.6
81.03408	0.5
81.07069	0.5
82.06577	5.0
83.04982	5.3
84.04501	100.0
85.02901	20.5
85.04828	0.7
86.06070	1.1
87.04463	4.9
91.05474	1.0
93.07031	0.4
95.08624	0.9
96.04478	0.6
98.06062	0.5
100.07610	3.1
102.05509	0.5
105.07036	1.8
106.21136	0.4
107.08628	0.6
110.06035	3.3
111.04420	1.9
112.03964	1.0
118.06537	0.5
119.08558	1.2
124.07592	0.4
126.05508	4.7
128.06245	0.4
128.07074	5.9
129.05478	1.4
129.07014	0.5
131.08536	0.8
132.08896	0.6
133.10159	1.1
142.08615	0.5
143.08600	0.4
145.08952	0.4
145.10083	1.6
146.06000	0.7
146.08095	0.9
146.10466	2.7
147.11679	0.9
156.09325	0.4
160.09702	0.6
160.12093	0.8
170.08127	0.9
174.81723	0.4
188.07677	0.5
188.09210	8.1
188.15208	2.0
189.12799	0.4
189.16388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48714	0.7
53.03950	1.2
53.77678	0.6
55.05510	3.9
56.96564	8.4
57.03470	0.7
57.07084	2.0
65.03944	0.7
66.34447	0.7
67.05499	5.4
69.03448	1.9
69.07059	4.7
70.00394	3.9
79.05487	3.9
81.03422	2.4
81.07055	6.7
84.04501	2.6
85.02866	1.2
88.02222	2.4
91.05474	17.7
93.07043	5.1
95.08597	3.8
103.05487	1.2
105.07031	14.8
107.08591	1.6
114.05444	0.8
115.05467	4.0
116.06243	4.3
117.07014	13.3
118.06505	0.9
118.07316	1.0
119.08584	13.1
128.06210	3.0
128.07063	1.2
129.07008	7.6
130.07753	6.1
131.04964	1.1
131.08566	45.6
132.08873	1.3
133.10155	4.3
135.05734	0.9
139.65434	0.8
141.07007	2.0
143.08553	11.6
144.05724	2.4
144.09320	3.4
145.06464	3.1
145.10120	100.0
146.05962	0.9
146.10513	1.7
154.06396	1.1
154.07658	0.9
157.08910	1.3
157.10115	10.2
158.07288	1.4
158.10905	6.8
159.06937	1.4
159.08051	3.6
159.11687	22.1
160.11955	0.7
169.01671	0.8
169.10150	1.6
170.10869	0.8
172.05186	2.2
172.08853	2.4
172.12477	10.8
173.00894	0.7
184.09196	0.8
187.07579	7.4
187.11205	10.8
187.14812	63.2
188.09207	1.2
188.15144	3.2
196.46255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.74951	1.2
70.75337	0.8
91.05478	6.1
103.05474	0.5
115.05457	7.3
116.05004	0.6
117.05754	2.6
117.07005	5.5
118.06540	76.1
119.06882	1.3
128.04924	0.7
129.47171	0.4
132.08090	0.9
142.06519	7.0
143.07303	13.3
144.04414	0.8
144.08083	25.7
145.06522	1.3
145.08429	0.7
146.06007	100.0
147.06328	2.8
155.06029	0.8
160.07564	1.0
170.06006	8.7
188.07056	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05515	4.0
56.96575	5.9
57.07070	4.1
65.72868	0.8
65.84519	0.7
67.05505	11.6
69.03417	2.2
69.07068	6.9
69.40980	0.7
71.57440	0.9
79.05495	9.0
81.03400	2.2
81.07056	8.0
83.08625	2.1
84.04492	2.4
85.02896	1.5
88.02206	4.5
88.02686	0.8
91.05479	28.0
93.07044	8.0
95.04942	1.9
95.08593	4.8
103.05468	1.1
105.03389	1.0
105.07029	23.2
107.08603	4.7
109.02855	0.8
109.10163	1.4
115.05462	3.1
116.06264	1.9
117.07015	23.6
119.08581	19.5
120.08881	1.0
121.10079	3.8
128.04910	1.0
128.06223	1.9
129.07013	5.5
130.07809	6.0
131.08566	59.3
132.08910	2.2
133.10170	5.0
141.07080	1.0
143.08562	5.0
144.09322	3.2
145.10120	100.0
146.10393	4.1
156.08025	2.1
157.10130	2.5
158.10896	2.5
159.06996	1.8
159.08130	1.2
159.11697	14.6
163.07042	0.9
172.08804	1.1
172.12506	1.6
175.08835	4.0
184.09285	1.7
186.59630	1.3
187.11275	5.4
187.14821	69.6
188.15157	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	187.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05505	0.9
56.05030	0.7
56.96555	0.8
57.07070	4.2
57.93514	0.4
59.04967	0.5
61.02921	1.2
65.03955	0.5
67.05495	2.0
69.03419	1.5
69.07061	1.0
70.02946	0.6
71.04976	0.5
71.08619	0.4
77.97143	0.4
79.05493	1.8
80.95658	0.4
81.03419	1.7
81.07047	2.7
82.06570	0.9
82.94733	0.4
83.04961	1.0
83.08617	0.6
84.04498	14.4
85.02913	3.8
87.04453	0.9
88.02204	1.6
91.05474	5.9
93.07032	1.0
95.04944	1.1
95.08615	1.1
95.18763	0.4
96.35825	0.4
103.05463	0.9
105.03408	1.2
105.07025	11.4
107.08596	1.0
110.05973	0.7
115.05451	1.4
116.06175	0.9
117.07005	8.8
119.08573	7.9
126.05495	0.7
128.06218	3.0
128.07082	1.1
129.06984	5.7
130.07773	7.9
131.08566	11.8
133.10074	2.2
134.57645	0.4
141.06979	1.7
142.07742	1.6
143.07487	0.8
143.08551	9.8
144.05643	0.6
144.09334	4.5
145.06450	1.4
145.10114	100.0
146.10475	2.8
154.07776	2.1
157.10118	9.2
158.07275	0.5
158.10889	4.3
159.06929	0.8
159.08096	0.8
159.11682	13.6
160.11963	0.6
166.70665	0.5
169.10143	5.0
171.07912	0.4
172.08836	4.8
172.12459	8.8
185.13284	0.9
187.07602	0.6
187.11191	9.2
187.14809	43.8
188.09088	1.1
188.15140	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.36309	0.5
51.91685	0.5
53.03944	1.3
53.84373	0.4
55.01861	1.4
55.05507	2.3
56.15320	0.5
56.96564	1.4
57.07070	3.6
67.05501	9.3
69.03435	1.2
69.07059	3.3
70.62232	1.5
79.05495	9.2
81.03437	2.6
81.07057	6.8
83.08637	0.6
84.04494	1.0
85.02915	0.6
86.95297	0.5
88.02208	2.1
91.05479	23.6
93.07042	5.9
93.45768	0.5
95.04961	4.0
95.08612	3.8
103.03310	0.5
103.05488	2.0
105.03387	0.5
105.07030	26.3
106.07407	0.7
107.04951	2.3
107.08577	3.3
109.60414	0.5
111.67898	0.5
115.05434	3.1
116.06252	2.3
117.07012	23.3
119.04910	0.5
119.08580	21.0
121.06466	0.8
121.10147	2.2
128.06210	2.2
129.07002	9.5
130.07787	7.8
131.04951	0.8
131.08565	51.2
132.08864	1.4
133.06503	0.9
133.10159	3.4
141.06949	2.6
142.07796	5.1
143.08566	7.9
144.05684	0.5
144.09343	8.6
145.06483	6.5
145.10120	100.0
146.07324	0.6
146.10419	2.7
153.06992	0.9
154.07768	3.0
157.06528	0.7
157.10129	8.1
158.06058	0.5
158.07272	1.3
158.10915	2.9
159.06926	0.9
159.08064	3.1
159.11690	25.2
160.12021	0.9
169.10129	3.6
172.08830	2.7
172.12436	3.0
185.13268	1.3
187.11200	13.9
187.14819	59.9
188.15199	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.48714	0.7
53.03950	1.2
53.77678	0.6
55.05510	3.9
56.96564	8.4
57.03470	0.7
57.07084	2.0
65.03944	0.7
66.34447	0.7
67.05499	5.4
69.03448	1.9
69.07059	4.7
70.00394	3.9
79.05487	3.9
81.03422	2.4
81.07055	6.7
84.04501	2.6
85.02866	1.2
88.02222	2.4
91.05474	17.7
93.07043	5.1
95.08597	3.8
103.05487	1.2
105.07031	14.8
107.08591	1.6
114.05444	0.8
115.05467	4.0
116.06243	4.3
117.07014	13.3
118.06505	0.9
118.07316	1.0
119.08584	13.1
128.06210	3.0
128.07063	1.2
129.07008	7.6
130.07753	6.1
131.04964	1.1
131.08566	45.6
132.08873	1.3
133.10155	4.3
135.05734	0.9
139.65434	0.8
141.07007	2.0
143.08553	11.6
144.05724	2.4
144.09320	3.4
145.06464	3.1
145.10120	100.0
146.05962	0.9
146.10513	1.7
154.06396	1.1
154.07658	0.9
157.08910	1.3
157.10115	10.2
158.07288	1.4
158.10905	6.8
159.06937	1.4
159.08051	3.6
159.11687	22.1
160.11955	0.7
169.01671	0.8
169.10150	1.6
170.10869	0.8
172.05186	2.2
172.08853	2.4
172.12477	10.8
173.00894	0.7
184.09196	0.8
187.07579	7.4
187.11205	10.8
187.14812	63.2
188.09207	1.2
188.15144	3.2
196.46255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03944	0.4
55.05512	0.8
56.95827	0.4
56.96564	0.6
57.03432	0.6
57.07072	3.1
59.04996	0.4
61.02916	1.2
65.03930	0.5
67.05499	1.5
69.03417	1.1
69.07052	0.9
70.02949	0.6
71.04985	0.5
71.58043	0.6
73.27327	0.4
79.05493	2.1
81.03416	1.1
81.07050	2.4
82.06577	0.7
83.04958	0.8
83.38738	0.4
84.04503	15.0
85.02898	4.8
87.04458	0.8
87.62246	0.4
87.62840	0.4
88.02201	1.0
91.05472	5.4
93.07047	0.8
95.04955	0.8
95.08601	1.1
100.07594	0.7
103.05537	0.4
104.31314	0.3
105.03381	1.0
105.07025	12.1
106.07355	0.5
107.05006	0.3
107.08572	1.0
109.02916	0.6
110.06026	0.5
111.04395	0.4
115.05446	1.6
116.06232	1.2
117.07014	7.8
119.08576	9.5
126.05495	0.8
127.05765	0.4
128.06207	3.2
128.07104	1.2
129.05542	0.7
129.06998	6.0
130.07788	8.3
131.08565	11.0
133.10127	1.8
135.35432	0.3
135.60985	0.3
136.29988	0.3
141.07027	1.6
142.07758	1.4
143.08556	10.0
144.09338	4.1
145.06425	1.5
145.10112	100.0
146.10428	2.4
152.22212	0.4
153.07039	0.7
154.07790	2.3
156.09300	0.5
157.10126	8.9
158.07278	0.6
158.10907	5.1
159.06950	1.1
159.08093	0.9
159.11693	16.0
169.10114	4.7
170.10744	0.4
171.08131	0.4
171.11707	0.4
172.08829	4.2
172.12463	7.7
185.13191	0.5
187.07582	0.6
187.11205	9.2
187.14809	46.0
187.22456	0.6
188.09187	1.1
188.15164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03953	1.2
55.05506	2.0
57.07067	4.7
58.63557	0.6
65.03919	0.6
67.05500	9.6
69.03427	0.7
69.07059	4.2
71.58079	0.9
79.05482	8.9
81.03407	1.8
81.07048	6.7
83.08613	1.2
84.04490	1.8
85.02882	1.0
86.12246	0.5
88.02184	2.7
91.05474	26.7
93.07038	4.9
95.04971	0.9
95.08597	3.9
103.05437	1.2
104.04011	0.5
105.07023	22.9
107.08590	3.6
113.00059	0.6
115.05446	2.2
116.06230	2.2
117.07007	24.5
119.08572	20.2
120.09039	0.6
121.10121	2.5
128.06218	1.7
128.07086	1.2
129.07013	5.9
130.07791	5.5
131.08556	59.3
132.08870	1.4
133.10123	5.0
135.83058	0.5
141.06915	0.8
143.08553	6.1
144.09288	3.2
145.10109	100.0
146.10378	2.6
157.10101	3.6
158.10876	2.3
159.06976	1.7
159.11679	13.3
159.13031	0.8
169.10080	0.8
170.10855	0.7
172.08783	1.1
172.12469	1.9
173.00772	0.8
185.13225	1.0
187.07527	1.0
187.11304	3.3
187.14803	68.5
188.15195	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	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70633	0.3
53.03967	0.5
55.05514	1.1
56.05031	0.6
56.96567	0.7
57.03431	0.8
57.07078	3.5
58.97692	0.3
59.04994	0.4
60.04539	0.5
60.28725	0.3
61.02927	2.0
65.03942	0.4
67.05508	2.4
69.03431	1.1
69.07082	0.6
70.02950	0.9
71.04971	0.4
71.56953	0.4
71.57368	0.5
79.05502	1.9
81.03418	1.6
81.07064	3.0
82.06589	0.6
83.04990	1.1
83.08649	0.4
84.04504	19.5
85.02901	4.6
87.04460	1.5
88.02222	1.3
91.05476	5.3
93.07050	1.6
95.04960	0.7
95.08617	1.0
100.07658	0.5
103.05472	0.9
104.04087	0.6
105.03391	0.8
105.07028	12.2
107.08585	0.9
110.06063	0.7
111.04444	0.7
115.05386	1.7
116.06237	1.1
117.07017	9.0
119.08569	9.8
126.05495	0.8
128.06230	3.3
128.07091	1.1
129.07013	5.4
130.07790	8.9
131.08571	13.0
133.10147	1.6
141.06958	1.9
142.07809	1.3
143.08557	11.7
144.05698	0.4
144.09349	4.3
145.10118	100.0
146.10460	2.4
152.53595	0.4
153.07060	0.4
154.07730	2.4
156.09338	0.4
157.06554	0.8
157.10129	10.0
158.07251	0.5
158.10912	4.9
159.06918	0.8
159.08086	1.6
159.11691	13.9
169.10117	4.4
170.10968	1.0
172.08868	4.3
172.12474	10.2
185.13261	0.4
187.07510	1.1
187.11217	8.8
187.14816	43.4
187.22502	0.5
188.09137	1.7
188.15140	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12109	0.6
52.89592	0.6
53.03935	2.0
53.73763	0.7
55.01870	1.0
55.05513	1.4
57.03431	0.9
57.07073	1.1
57.77781	0.7
62.08244	0.6
65.03955	1.2
66.11153	0.7
67.05505	8.4
68.28293	0.6
69.03115	0.8
69.03424	6.5
71.56909	0.9
79.05495	6.8
81.03400	3.3
81.07059	3.6
84.04504	4.1
85.02894	1.7
88.02203	1.3
91.04977	1.2
91.05486	16.2
92.91828	0.7
93.07059	4.3
95.04966	9.1
95.08589	1.3
95.92479	0.7
97.02896	0.8
99.04422	0.7
103.05461	3.0
105.07028	32.0
107.04961	2.4
107.08600	1.2
109.02905	0.9
115.05423	7.0
116.06252	3.6
117.07015	22.6
118.06549	1.8
119.04900	1.2
119.08588	9.2
121.06472	1.7
128.06226	7.6
128.07080	0.8
128.81442	0.9
129.07008	18.3
130.07788	11.3
131.04918	3.2
131.08560	29.4
133.06506	0.8
133.10091	2.1
141.06975	9.2
142.07828	3.7
143.08568	11.0
144.05695	13.5
144.09344	20.6
145.06473	17.0
145.10117	43.5
146.06081	1.2
146.07243	1.9
147.07986	1.2
153.07027	2.5
154.07761	11.1
155.06018	0.9
157.06508	5.3
157.10130	9.4
158.07266	8.7
158.10950	0.8
159.07007	1.5
159.08070	22.9
159.11685	47.9
161.95613	0.8
167.08574	1.0
169.10118	19.9
171.08092	1.8
172.05194	6.6
172.08818	25.5
172.12444	3.6
187.07567	22.2
187.11171	100.0
187.14754	14.6
188.07803	1.0
188.11533	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
55.31382	0.5
56.96542	0.6
57.03432	0.7
59.04951	0.5
61.02921	0.7
65.03941	0.5
67.05486	2.1
69.03432	2.5
69.07097	0.7
69.64033	3.4
71.34708	0.4
72.04513	0.6
74.26526	0.5
79.05472	1.8
81.03414	2.7
81.07052	1.8
83.08606	0.8
84.04505	3.3
84.08124	0.5
85.02887	1.9
88.02201	2.4
91.05471	5.4
93.07008	1.2
95.04955	1.4
95.08585	1.2
97.02891	0.6
103.05441	0.8
104.04025	0.6
105.07024	11.2
107.08567	0.7
109.02868	0.9
115.05463	2.3
116.06242	1.7
117.07009	8.0
118.06522	1.8
119.08576	13.6
128.06238	3.6
128.07060	0.9
129.06993	17.4
130.07811	2.6
131.04935	1.2
131.08560	18.9
133.10129	0.7
135.63176	0.5
141.07005	2.1
142.07761	1.5
143.08548	5.0
144.05690	4.9
144.09331	23.6
145.06477	3.7
145.10117	18.0
146.05966	1.2
146.07149	0.5
147.07988	0.6
153.07028	0.6
154.07727	2.3
157.06448	1.7
157.10133	3.8
158.07260	1.7
158.10887	1.0
159.06953	1.6
159.08057	6.8
159.11684	32.1
160.11943	0.6
160.32306	0.5
169.10077	3.1
171.08026	1.0
172.05209	3.0
172.08836	14.5
172.12413	1.9
173.00723	0.6
186.10406	0.8
187.07605	10.1
187.11168	100.0
187.14723	10.5
188.07182	0.9
188.11461	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	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.32316	0.4
53.41368	0.4
54.33599	0.3
55.05507	0.7
55.20827	0.4
56.96558	1.3
60.78016	0.4
67.05497	1.2
67.33649	0.4
67.97148	0.3
69.03433	1.5
69.99958	1.4
70.00355	0.7
70.06584	0.6
71.04990	0.5
74.84232	0.3
77.29864	0.3
79.05482	1.3
81.03416	1.8
81.07043	1.2
83.04939	0.4
83.08634	0.6
84.04505	3.0
85.02921	1.0
88.02227	2.5
91.05467	3.6
91.05930	0.4
93.07064	1.1
95.04980	0.9
95.08601	0.7
100.07623	0.4
103.05453	0.6
105.07024	3.6
109.02899	0.7
115.05415	3.7
116.06239	1.9
117.07010	3.6
119.08582	2.2
121.06535	0.5
127.03974	0.5
128.06210	1.5
128.07091	0.8
129.06999	3.0
130.07777	1.5
131.04944	0.9
131.08563	5.9
132.09003	0.4
134.99783	0.3
141.06998	1.6
142.07765	0.4
143.04865	0.4
143.08580	1.6
144.05699	57.0
144.09326	1.4
145.06320	2.3
145.10118	12.0
154.07739	0.7
155.04881	0.6
155.06133	0.4
156.05701	0.5
157.06438	0.7
157.10129	1.5
158.07249	1.0
159.06911	1.0
159.08061	5.1
159.11691	5.8
169.10138	1.0
172.05182	43.7
172.08670	1.9
172.12517	0.7
173.00793	0.6
173.05563	1.5
187.07535	100.0
187.11072	8.9
187.14784	7.1
188.07909	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	185.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47160	0.9
53.03938	2.4
54.03445	1.4
55.01846	2.1
55.05511	8.5
55.93530	0.9
56.05036	7.8
56.96562	40.9
57.03432	1.7
57.07051	1.3
58.06580	3.0
59.06100	2.0
60.04506	4.1
60.95839	1.2
61.02916	2.6
63.95646	0.9
65.03933	1.7
67.05497	8.9
68.05028	7.6
69.03430	5.6
69.04549	1.1
69.07065	6.0
70.02936	1.5
70.06586	18.7
70.93099	3.1
71.04993	2.5
71.95252	1.4
72.04507	1.6
72.08147	11.3
73.02898	2.4
74.06069	3.2
74.97602	1.6
79.05486	5.8
80.05030	5.8
81.03416	5.3
81.04546	1.3
81.07043	3.1
81.95061	1.2
82.02938	2.0
82.06577	9.3
82.94815	2.9
83.03676	1.1
83.04978	2.8
83.06106	4.9
84.01551	2.5
84.04503	8.4
84.08139	19.6
84.96010	2.2
85.02885	8.1
85.04040	1.2
85.06511	1.2
86.03654	1.2
86.06067	5.1
86.09218	2.0
86.09701	22.7
87.04479	1.5
87.10002	1.1
91.05476	1.7
93.07010	3.1
94.06558	21.3
95.01307	5.2
95.04970	8.2
95.06087	2.8
95.08573	1.5
95.56427	1.1
96.04475	6.0
96.05241	1.3
96.08121	28.0
97.02880	2.8
97.04018	2.7
97.06509	3.5
97.07641	1.7
98.06062	7.6
98.07123	0.9
98.09674	3.4
98.97562	8.3
99.04443	2.3
99.09190	1.3
100.03969	2.9
103.05486	1.9
104.04998	1.1
106.06551	2.6
107.04915	1.5
108.04435	1.1
108.68410	1.2
109.02847	1.7
109.07611	3.3
110.06031	48.4
110.07150	5.7
111.04420	2.4
111.05552	3.0
111.09187	12.4
112.03951	1.4
112.07602	23.8
113.06025	1.0
113.07104	1.1
114.05526	7.9
116.81735	0.9
116.98608	15.9
119.01910	8.9
120.02018	3.8
121.00810	1.6
121.01664	2.1
121.06735	1.7
121.07608	14.0
122.06021	18.2
123.04414	12.0
123.05515	5.9
123.07993	1.1
123.09215	2.3
123.97429	2.4
124.04671	1.1
124.07571	3.9
125.02336	2.9
125.05983	1.6
125.07050	3.2
126.05488	4.4
126.09142	1.5
127.03983	1.2
127.08660	3.0
128.06235	1.5
128.98601	2.5
129.10207	4.2
130.06488	2.1
130.08635	1.0
131.01915	2.1
131.97366	1.1
133.01535	3.4
134.01289	1.0
134.99640	20.2
136.06192	2.6
137.02943	4.2
138.03085	1.7
138.05511	1.2
138.98940	1.6
139.01802	3.8
139.03899	2.1
139.08653	96.7
139.12257	4.3
140.07057	33.1
140.08936	2.0
141.01791	1.0
141.10117	1.3
143.96474	1.1
144.52361	1.1
146.99667	3.7
147.01871	1.2
149.01195	2.9
149.04294	2.7
149.07076	2.2
150.05446	1.5
153.00677	4.5
153.01823	1.9
156.07697	2.0
157.03479	1.0
157.04964	1.5
157.06421	1.2
157.09723	19.8
158.01167	2.2
158.08125	1.4
159.03291	2.4
160.02786	2.5
160.97551	1.3
161.01178	2.4
161.97348	1.4
162.00673	1.8
162.95871	1.5
162.99104	2.0
163.01779	2.9
165.00746	2.5
167.05371	2.7
167.08134	39.1
167.11763	2.5
168.10123	1.7
168.11392	2.2
171.02931	1.5
175.02724	1.1
176.02199	1.4
177.00716	1.7
181.02879	8.7
184.08310	1.1
185.04494	2.2
185.07301	3.4
185.09204	100.0
186.07593	2.9
186.09512	1.7
191.96056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05025	1.5
56.96563	0.4
58.06583	0.9
60.08159	19.0
67.05509	0.5
69.79060	2.5
70.06586	0.4
71.04928	0.3
71.07367	12.2
86.09699	100.0
87.10020	2.0
98.98460	21.0
101.95036	1.5
104.10742	4.5
105.03421	0.4
106.03694	0.5
119.96073	0.6
120.97911	0.7
124.99995	81.6
126.00415	0.5
137.97072	1.7
138.98962	0.7
143.01007	2.2
155.98120	1.5
166.02649	0.5
184.07333	75.2
185.07608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	33.4
71.56526	72.8
92.97358	28.6
114.05521	67.2
119.01907	100.0
135.79666	37.5
142.01703	46.4
160.02800	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
51.02374	0.3
53.03931	0.5
54.03454	0.3
55.01871	0.5
55.05500	0.9
56.05025	0.9
56.96558	8.6
57.03428	1.3
58.06598	0.5
60.04506	0.3
60.08154	0.5
61.02914	0.6
63.52340	0.3
65.03933	3.3
65.92628	0.5
67.05500	1.4
68.05019	1.3
69.03429	1.4
69.04588	0.3
69.07056	1.4
70.06588	3.6
71.04976	0.5
71.07358	0.3
71.19696	0.4
71.20004	0.3
72.04519	0.4
72.08128	0.5
72.93783	0.5
73.02909	1.2
74.06081	0.3
74.97594	0.6
78.65662	0.3
79.01832	0.5
79.05485	0.8
80.04995	0.6
80.94965	0.9
81.03403	0.5
81.04534	0.6
81.07037	0.7
82.02925	0.3
82.06577	1.7
83.04969	0.4
83.06084	0.9
84.04504	1.4
84.08139	0.8
84.96019	0.3
85.02876	1.8
86.03578	0.5
86.06054	1.1
86.09705	3.3
87.04469	0.7
90.94781	0.4
91.00488	0.3
91.05458	0.4
92.01285	0.3
92.05000	2.5
93.03384	0.3
93.07031	0.4
94.06560	0.8
95.04974	1.5
95.06091	0.7
96.04485	1.4
96.05285	0.4
96.08112	0.7
97.02890	1.6
97.07643	1.2
98.06044	1.0
98.97567	2.8
98.98453	1.0
99.05592	0.6
101.00821	0.4
104.04974	0.6
104.10746	0.8
105.03355	0.8
105.07058	0.4
106.03736	0.5
107.01821	0.4
107.04958	0.4
107.67229	0.3
108.04444	0.3
108.22650	0.3
109.07635	0.6
110.01247	0.5
110.06039	3.0
110.07161	0.9
110.09648	0.8
111.04433	0.3
111.09190	0.6
112.01045	0.5
112.07586	0.9
114.02958	0.5
114.05537	0.7
114.09164	0.3
115.88469	0.3
116.98609	3.7
119.01900	6.7
120.01994	0.3
120.04467	2.2
120.08099	0.5
121.01598	0.5
121.02866	0.6
121.06496	0.4
121.97555	0.8
122.02410	0.5
122.06039	0.9
122.97379	0.3
123.04418	1.9
123.05209	0.3
124.03910	1.0
124.04772	0.5
124.07569	2.4
124.08439	0.4
124.11251	0.4
124.93896	0.4
124.99991	2.1
125.02386	0.3
125.07104	0.7
126.05511	0.3
128.02336	1.4
128.98602	1.0
129.06967	0.3
130.02957	0.3
133.01561	1.0
133.02812	0.4
134.05954	0.3
134.99637	4.4
136.06088	0.4
136.11226	0.3
137.02924	4.8
137.05975	0.6
138.05481	8.2
138.06534	0.5
138.09119	1.3
138.10193	0.6
139.03906	0.4
139.08658	1.0
140.07056	0.3
141.06635	0.4
142.01872	0.3
142.03485	1.2
143.00130	0.4
146.99625	1.3
148.03915	82.0
149.01224	0.3
149.04269	1.7
149.05966	0.4
149.07086	0.5
152.98709	0.3
153.00671	0.9
153.47624	0.3
154.04987	0.4
157.07632	0.3
157.09691	0.6
158.01260	0.6
160.02808	1.6
160.04532	0.7
160.95985	0.4
160.97513	0.5
161.01239	1.1
161.02927	0.7
162.99107	0.4
165.00772	0.5
165.96497	0.6
166.04984	100.0
166.12263	0.8
167.05359	1.6
167.08180	0.9
173.01254	0.6
177.00696	0.7
178.03827	0.6
179.02295	0.4
179.03975	0.4
183.97562	0.7
184.02893	0.7
184.04353	0.5
184.06030	7.8
184.07414	2.3
184.09497	1.6
184.10991	0.6
184.13332	0.8
185.09245	1.0
197.01305	0.5
202.03807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27571	0.3
56.02580	0.3
56.05045	1.8
56.96541	0.3
58.06611	0.8
59.07367	0.4
60.08162	19.0
69.13955	0.3
69.28416	1.7
69.28853	1.7
70.06590	0.7
71.07371	13.2
80.97417	0.4
81.07053	0.3
86.09704	100.0
87.10044	1.9
98.98466	20.8
101.95050	1.7
104.10744	4.0
105.03391	0.6
106.03725	0.4
110.05996	0.4
116.11750	0.3
116.99473	0.6
119.01900	0.3
119.96076	1.2
125.00001	83.1
126.00311	0.7
129.06989	0.6
136.70026	0.3
137.97128	1.9
138.09053	0.4
138.98950	1.1
143.01074	2.1
143.08615	0.3
155.98155	0.8
160.98717	0.6
166.02666	0.8
184.07339	78.4
185.07651	1.3
188.84648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
56.05023	1.6
56.89935	0.4
56.96560	0.9
58.99860	0.7
70.03571	1.5
72.26282	0.4
82.01419	0.6
82.99841	1.0
83.06107	4.0
90.88927	0.4
95.04984	0.8
98.97588	0.7
98.98491	0.8
100.02465	1.2
101.00873	12.4
105.03391	0.4
114.38712	0.4
116.98615	0.6
118.03539	6.2
119.01920	100.0
120.02048	1.0
121.01656	1.0
124.02425	2.2
129.83546	0.5
134.99742	0.9
136.04558	7.0
137.02956	48.9
141.05092	1.2
142.03499	38.9
152.85411	0.4
158.06630	0.6
158.99907	0.4
159.06145	5.0
160.04556	43.9
161.02957	3.7
161.04366	1.1
165.05078	2.0
177.00954	4.6
177.04205	0.6
178.01146	1.0
178.04019	0.6
178.05608	15.1
179.04021	8.1
179.05577	0.9
183.04573	0.6
183.06149	4.7
184.04454	0.6
201.07211	4.5
202.05576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59671	1.6
53.03932	6.6
53.12671	1.5
55.01865	2.7
55.05512	9.3
56.96553	3.0
57.03422	5.6
57.07052	5.4
61.49966	1.6
64.67106	1.5
67.05496	23.4
69.03419	3.5
69.07068	9.1
69.69526	11.9
71.04996	9.5
74.65907	1.5
79.05484	8.4
79.64095	1.5
81.03397	1.9
81.07050	42.3
83.04952	3.9
83.08591	4.3
85.02882	1.8
85.06529	7.3
91.05478	15.0
93.07042	9.2
95.04961	28.0
95.08597	14.9
96.05316	2.4
97.06528	4.8
98.21495	2.0
98.98460	43.0
99.04401	2.5
99.08071	4.0
105.02708	2.9
105.03377	31.3
105.04491	2.9
105.07011	14.4
107.08563	8.0
109.06489	5.3
109.10130	6.3
111.08061	4.1
115.05454	5.3
116.99486	2.6
117.07010	10.9
119.08559	8.5
120.65595	1.5
121.10159	12.2
123.04420	15.4
123.08078	4.6
123.11692	22.9
125.09608	2.7
127.01535	7.6
127.07528	2.2
129.06979	8.9
140.04649	5.5
141.06975	100.0
142.07819	8.4
143.08539	2.4
147.11664	21.1
153.06978	9.1
154.07762	6.3
155.07207	2.8
155.08534	45.5
160.04642	1.8
165.09081	1.9
165.12732	9.1
167.08530	3.4
168.09314	15.7
178.05634	2.0
181.10042	3.4
183.06537	2.5
183.08087	2.9
183.10048	3.3
183.11676	47.5
183.13536	2.9
184.12149	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	183.1379
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
51.73808	3.1
53.03941	8.9
55.01871	7.9
55.05505	17.8
56.96558	3.5
57.03440	7.2
57.07059	10.6
57.56269	3.2
67.05497	45.9
69.07056	16.7
70.77759	5.6
70.78094	8.1
71.04980	24.0
71.08622	3.2
79.05487	18.4
81.03433	4.5
81.07043	100.0
83.04990	9.2
83.08603	10.1
85.06535	20.0
88.99647	4.0
91.05465	23.5
93.07032	23.6
95.04958	50.0
95.08595	29.9
97.06524	13.0
98.98455	80.6
99.04436	4.3
99.08088	10.5
99.35217	3.4
101.44408	3.8
105.03381	46.6
105.07038	32.1
107.08582	13.9
109.06501	6.4
109.10123	8.0
111.08083	14.1
111.75471	3.3
113.06035	5.3
113.09538	3.5
117.06985	8.2
119.08566	32.1
121.10117	28.7
122.07162	3.8
123.04420	23.1
123.08031	8.8
123.11690	70.0
125.02367	5.1
125.09581	6.1
127.01569	12.6
127.07572	4.7
129.06995	7.5
137.05952	6.5
137.09628	4.1
139.11139	3.5
140.04659	10.7
141.06964	53.2
141.71136	3.4
142.07578	4.1
147.11670	61.0
153.06963	9.8
155.04752	4.0
155.07112	6.7
155.08551	33.6
165.12743	24.4
168.09326	12.2
183.07983	7.8
183.10089	5.6
183.11649	50.3
183.13377	4.6
183.13901	5.1
199.12047	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03958	1.1
55.01862	1.9
55.05510	13.3
56.05038	1.0
57.03426	1.5
57.07074	5.0
58.02961	49.3
59.03273	1.0
59.64175	0.7
65.03937	1.4
67.05506	33.1
68.05833	0.9
69.03410	0.8
69.07067	89.5
69.51795	6.9
70.06593	4.3
70.07385	2.0
71.04976	0.8
72.08150	1.8
74.06062	1.6
79.05492	9.1
81.06584	1.6
81.07056	29.5
82.06593	0.9
83.04970	2.2
83.08148	1.0
83.08619	10.4
84.04514	1.0
84.08138	12.7
86.06059	1.7
91.05476	8.2
93.07043	15.8
95.04961	4.5
95.08617	9.9
97.06524	5.2
97.83690	0.8
98.06040	3.4
98.09679	3.7
98.20824	1.6
98.97572	2.5
98.98450	3.1
100.07616	8.3
105.03388	1.3
105.07030	21.4
105.97695	0.9
107.08591	23.7
108.08917	0.8
109.06515	3.4
109.10155	66.5
110.10464	1.3
111.08090	1.0
112.07618	3.7
114.09159	16.4
116.98598	1.2
117.98953	1.1
119.08582	2.8
121.10149	1.9
123.11701	10.5
124.11221	1.0
126.09145	17.0
126.12769	2.3
128.10744	0.8
133.10129	33.8
134.10448	2.1
134.99672	2.0
135.10680	1.6
135.11687	25.5
136.00017	1.0
136.11153	0.8
137.13243	1.4
138.12778	32.3
139.13080	1.2
140.10648	1.5
140.14305	1.8
147.11665	7.3
151.11179	12.2
153.12735	13.6
154.15916	2.4
155.63934	0.7
159.92773	0.7
164.14365	2.7
165.12720	3.7
166.53189	0.9
173.11243	0.7
182.15404	100.0
183.15707	5.2
188.04158	1.5
197.37663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03944	1.3
53.10012	0.6
55.01870	4.6
55.05505	1.5
56.05029	1.7
56.96564	35.2
57.03149	1.3
57.03435	17.6
57.73831	0.6
58.99854	1.8
61.02925	5.5
63.10605	0.6
67.92846	0.6
69.03431	9.6
70.91914	1.0
70.92253	1.1
70.98116	1.3
71.01350	1.5
71.04987	1.9
71.95244	1.0
73.02517	0.8
73.02917	14.9
74.97594	1.3
75.01940	0.6
77.00889	3.0
78.95282	1.4
81.03418	5.2
82.01404	0.9
84.04479	1.1
84.96031	5.6
85.02903	13.4
86.03673	1.1
87.04449	1.2
88.02702	0.8
88.99141	0.7
89.00797	1.2
90.01529	1.1
91.05478	40.8
93.01908	0.9
93.07021	1.3
94.02686	1.3
94.06506	0.6
95.04968	19.8
96.01517	1.4
96.02425	1.2
97.02885	10.1
97.81226	0.6
97.96805	1.3
98.01284	1.9
98.97582	22.2
99.04449	1.7
99.52966	0.8
99.97932	0.8
100.02486	7.6
101.00880	4.8
102.02411	2.7
102.97041	1.2
103.02387	1.2
103.03226	0.7
103.05463	2.7
104.01253	0.7
105.00360	0.6
106.02686	0.8
107.04950	1.9
108.08092	0.8
109.02881	2.7
109.06525	1.4
110.01291	4.1
110.97570	2.7
111.02196	1.0
111.02938	3.5
111.51839	1.0
112.07584	0.8
113.00874	2.9
113.01634	0.7
113.02432	0.8
114.02399	1.0
115.02405	1.5
115.03179	0.9
115.03935	1.1
115.97861	1.0
116.97818	1.1
116.98624	17.4
117.02020	1.4
117.02920	1.0
117.98977	0.9
118.01099	0.8
118.03543	6.3
118.06500	1.7
119.01881	21.7
119.04940	40.9
119.97877	1.3
120.03464	0.9
120.98078	0.6
121.06485	1.7
122.05996	1.1
122.94204	0.7
123.02937	1.5
123.04429	53.9
124.04753	0.7
124.52537	0.7
124.99071	0.6
126.02532	0.9
127.03937	2.3
128.02315	6.5
128.98611	6.1
129.02908	1.2
129.03877	0.7
130.52527	0.6
131.00276	1.3
131.01901	38.1
132.01923	1.1
132.03448	2.1
133.03493	3.5
134.99663	12.3
135.03079	1.3
136.00032	1.6
136.07574	100.0
137.02931	4.4
137.05968	0.8
137.07999	1.3
138.03397	1.9
138.05486	0.8
139.53070	0.8
140.02243	1.1
140.07074	0.8
140.98595	1.2
142.03534	1.2
143.00145	2.4
143.01915	8.0
144.99811	4.4
145.01610	0.7
145.03471	4.0
146.99654	6.8
147.01373	1.5
147.04382	18.1
149.01180	1.2
149.02950	16.9
150.01823	0.6
151.04521	1.7
152.07129	0.7
152.98602	0.7
153.00729	1.3
154.03485	18.3
155.00090	1.1
155.01895	6.0
155.03038	0.7
155.03723	0.9
156.05028	1.5
157.01640	0.6
157.03459	3.4
158.01340	0.8
158.96295	1.0
158.99664	6.3
159.01436	1.4
159.03159	0.6
159.05118	0.8
160.04591	1.0
161.01242	5.4
161.02963	11.0
162.93837	0.7
162.99121	1.3
163.00841	1.0
163.04507	1.1
164.05682	1.5
164.07062	1.7
165.00742	1.6
165.05464	22.5
167.01920	1.3
168.01433	1.8
170.99699	3.0
172.04546	9.3
173.01268	2.5
173.02979	12.1
173.04353	0.6
174.04466	0.7
174.99226	0.7
175.04500	0.9
177.00710	11.6
177.02438	9.2
179.02289	1.8
181.97971	0.8
182.03040	2.2
182.05780	12.2
182.08095	7.3
182.11708	1.1
182.99690	0.7
183.01782	0.6
183.03427	0.6
185.02962	7.0
187.04526	0.9
189.00716	5.3
191.02371	1.4
191.04027	1.1
193.00253	0.8
195.01816	2.1
195.03526	3.8
197.03033	1.5
199.04544	0.7
200.02361	1.1
200.04047	4.1
201.00681	4.4
203.03995	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.76305	0.2
53.03942	0.3
54.40206	0.2
55.01874	0.2
55.45463	0.2
56.96560	1.3
58.86203	0.2
58.99858	0.2
59.18200	0.1
65.03943	0.5
69.03421	0.3
70.98136	0.2
71.56438	0.2
73.02891	0.2
77.03938	0.3
85.02891	0.2
91.05476	33.0
92.05807	0.4
93.07035	0.6
95.04962	15.2
96.05272	0.3
96.52164	0.2
98.97578	0.7
100.02522	0.3
103.05468	1.7
105.04500	0.3
107.04935	1.6
108.08107	0.5
109.06505	1.3
111.51809	0.3
116.98633	0.6
118.03449	0.2
118.06535	1.4
119.04934	42.8
120.05286	0.6
120.52261	0.2
121.06489	1.4
123.04420	57.9
124.04746	1.2
128.02277	0.2
128.98639	0.2
130.53441	0.2
131.01871	0.2
136.07568	100.0
137.02905	0.2
137.05956	0.6
137.07932	2.1
144.99792	0.5
147.04399	19.8
148.04758	0.5
164.05667	1.1
164.07019	0.3
165.05464	23.0
166.05827	0.5
168.01440	0.2
177.00693	0.2
177.02414	0.3
182.06693	0.4
182.08119	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	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.30428	0.2
56.96556	0.4
57.35952	0.4
58.06593	0.3
65.03951	0.5
71.01371	0.4
71.01698	0.6
74.02434	1.0
79.05493	0.3
80.05013	0.3
80.48077	0.3
81.07036	0.5
83.06136	0.3
91.05473	36.9
92.05795	0.6
95.04961	4.7
98.98469	0.4
103.05461	1.1
107.04961	0.8
108.05264	0.3
108.08130	0.9
109.06544	2.2
118.06521	2.5
119.04932	36.8
120.05263	0.8
121.06507	0.5
123.04421	13.7
126.31282	0.3
128.02347	0.3
136.07567	100.0
137.05983	0.5
137.07913	1.6
137.08780	0.3
146.05948	0.4
147.04393	5.4
147.41656	0.3
164.07019	0.6
165.05482	5.5
177.00705	0.3
182.08084	2.8
182.11659	0.3
204.73232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
51.02374	0.3
51.63586	0.2
51.97213	0.2
53.03940	2.0
55.01865	0.3
55.05499	0.2
56.96548	0.3
57.03448	0.2
57.07076	0.2
58.71154	0.2
60.29208	0.2
65.03935	0.4
67.05502	0.9
67.49207	0.2
68.05019	0.4
69.03439	0.2
69.07072	0.2
71.57604	0.2
77.03918	0.6
79.05481	1.2
80.05030	0.4
80.17525	0.2
81.03413	0.4
81.07041	0.8
83.04987	0.3
85.02921	0.2
86.06055	0.3
91.05477	4.5
92.05800	0.2
93.05770	0.6
93.07044	3.8
94.06573	0.5
94.07359	0.3
95.04964	5.7
95.08599	0.3
96.04488	0.3
97.06532	0.2
98.97517	0.3
98.98471	0.8
105.03367	0.4
105.04513	0.7
107.08591	0.3
108.04468	0.5
108.08116	3.2
108.08855	0.3
109.06490	0.2
116.98644	0.3
118.06509	0.4
122.06027	0.9
122.06855	0.3
122.10476	0.4
123.04438	1.9
123.05413	0.3
125.06041	0.4
126.05519	2.0
126.06344	0.3
129.60976	0.2
134.59930	0.2
134.99661	0.3
136.07567	100.0
137.06097	0.2
137.07919	2.2
140.04684	0.6
140.07057	3.9
140.08160	0.8
150.09113	0.2
164.07054	41.6
164.11539	0.6
165.07408	0.9
182.00865	0.3
182.04523	0.4
182.08177	0.6
182.11731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94291	0.5
52.65764	0.5
53.03936	0.6
55.01859	1.1
55.05508	3.2
55.20910	0.5
56.96544	1.7
57.03445	0.7
57.07054	2.1
59.05000	5.1
67.05496	3.7
69.03436	2.6
69.07061	4.2
69.56272	3.6
71.04964	0.6
73.02888	0.7
79.05490	9.1
81.02913	0.6
81.07052	10.2
83.04967	1.3
83.08604	1.1
87.04446	0.7
91.05482	5.8
93.07040	24.5
93.07630	1.2
94.07374	0.9
95.04955	2.0
95.08602	19.3
96.08935	0.8
97.06516	2.3
98.97583	5.6
105.07013	5.2
107.04929	1.6
107.08588	44.7
107.30463	0.5
108.08892	1.0
109.06503	1.3
109.10138	2.3
111.04426	1.8
111.08080	1.5
115.09958	0.7
116.98621	6.9
117.07006	1.0
119.08567	5.4
121.06506	6.5
121.10136	22.7
123.08076	4.8
125.05966	4.8
130.07738	1.0
134.99649	4.6
135.11685	55.8
136.11989	1.9
137.09590	0.7
137.13206	1.0
139.07535	10.5
143.44522	0.5
145.09045	1.0
145.10112	15.3
147.92383	0.5
148.08821	0.7
153.00739	1.0
153.12772	3.1
163.11172	34.9
164.11511	1.4
181.12227	100.0
182.12523	2.8
189.82571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02373	0.6
52.62260	0.5
53.03936	3.3
55.01868	7.7
55.05508	18.5
55.98886	0.7
56.96297	0.9
56.96563	14.1
57.03437	3.3
57.07071	3.7
59.04994	1.1
65.03929	2.7
67.05504	20.2
69.03421	2.5
69.07066	10.8
70.06594	0.9
71.04985	2.1
71.17715	1.7
71.95252	2.4
73.02923	3.3
77.03914	1.1
79.05489	37.7
80.05828	0.8
81.03418	4.1
81.07053	25.1
83.04977	12.7
83.06094	0.7
83.08603	4.4
85.06534	1.4
91.05476	19.7
92.05789	0.7
93.03430	0.9
93.07039	58.6
94.07346	1.2
95.04965	13.8
95.08602	46.3
96.04433	0.6
97.02877	2.9
97.06525	10.5
98.97576	32.9
99.04443	2.1
103.05478	3.9
105.04539	0.9
105.07026	11.0
107.04947	12.8
107.08593	33.2
109.06523	3.6
109.10150	2.1
111.04450	3.2
111.08051	3.4
115.05433	1.7
116.06226	0.7
116.98615	54.8
117.07002	9.4
119.08569	8.2
120.05743	0.9
121.06505	14.4
121.10136	23.2
122.06042	0.9
122.07110	0.7
122.10444	0.8
123.04439	1.3
123.05466	0.8
123.08073	2.4
125.05984	16.0
129.06934	0.8
130.07777	4.0
133.10143	2.7
134.03596	0.7
134.99652	100.0
135.04358	1.7
135.08067	3.9
135.11687	35.2
136.00034	1.0
136.07567	1.5
137.05977	0.9
137.09634	1.1
138.06700	0.6
139.07538	2.9
139.11153	1.2
140.00192	2.6
140.08206	1.2
143.08504	1.0
145.10114	20.7
146.10522	0.8
149.02319	0.7
149.05983	2.1
153.00697	27.7
153.05464	0.7
153.09148	1.5
153.12752	1.3
158.01253	10.8
163.03885	1.3
163.07544	1.8
163.11174	43.9
163.14906	1.0
164.03400	0.6
164.07031	0.9
164.11577	1.1
165.06973	0.7
176.02295	2.7
181.02847	0.6
181.04945	2.7
181.06390	1.6
181.08563	2.3
181.09901	1.1
181.10477	0.9
181.12219	18.8
181.15779	1.1
182.00919	1.2
182.04489	1.3
182.12550	0.9
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
53.03940	1.7
55.01866	2.3
55.05509	2.4
56.96552	2.5
57.03423	1.4
57.07076	22.0
59.04995	3.5
65.78424	1.0
67.05509	2.1
69.03429	2.5
69.06704	1.0
69.07065	3.9
79.05489	10.6
81.03417	7.9
81.07063	4.4
81.49612	0.9
83.04982	51.2
85.06544	1.6
91.05487	5.1
93.07036	10.5
95.04967	16.6
95.08587	1.0
97.06531	27.5
98.20697	1.6
98.97564	5.1
105.07021	7.6
106.48426	0.8
107.04942	2.8
107.08589	13.5
109.06540	1.0
116.98635	7.8
117.07013	2.6
119.08595	5.6
121.06486	3.7
121.10136	14.4
125.05992	63.7
126.06326	1.6
130.07823	1.9
130.54765	0.9
133.06485	0.9
134.99655	12.1
135.08086	1.5
135.11690	8.1
135.75929	1.0
145.10124	12.9
148.08850	1.3
153.00746	3.4
158.01259	2.6
163.11180	100.0
164.11555	3.2
165.07008	1.7
166.07800	3.1
180.47839	0.9
181.04904	1.1
181.10146	3.5
181.12241	27.2
183.82025	0.9
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
51.94291	0.5
52.65764	0.5
53.03936	0.6
55.01859	1.1
55.05508	3.2
55.20910	0.5
56.96544	1.7
57.03445	0.7
57.07054	2.1
59.05000	5.1
67.05496	3.7
69.03436	2.6
69.07061	4.2
69.56272	3.6
71.04964	0.6
73.02888	0.7
79.05490	9.1
81.02913	0.6
81.07052	10.2
83.04967	1.3
83.08604	1.1
87.04446	0.7
91.05482	5.8
93.07040	24.5
93.07630	1.2
94.07374	0.9
95.04955	2.0
95.08602	19.3
96.08935	0.8
97.06516	2.3
98.97583	5.6
105.07013	5.2
107.04929	1.6
107.08588	44.7
107.30463	0.5
108.08892	1.0
109.06503	1.3
109.10138	2.3
111.04426	1.8
111.08080	1.5
115.09958	0.7
116.98621	6.9
117.07006	1.0
119.08567	5.4
121.06506	6.5
121.10136	22.7
123.08076	4.8
125.05966	4.8
130.07738	1.0
134.99649	4.6
135.11685	55.8
136.11989	1.9
137.09590	0.7
137.13206	1.0
139.07535	10.5
143.44522	0.5
145.09045	1.0
145.10112	15.3
147.92383	0.5
148.08821	0.7
153.00739	1.0
153.12772	3.1
163.11172	34.9
164.11511	1.4
181.12227	100.0
182.12523	2.8
189.82571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	1.6
55.05499	4.0
56.96552	2.8
57.07076	23.0
59.04987	2.8
67.05495	2.7
67.96320	1.0
69.03418	3.2
69.07059	4.6
71.04980	1.2
77.98291	1.2
79.05494	10.2
81.03414	7.7
81.07040	8.0
83.04979	52.5
85.06560	1.1
91.05476	5.6
93.07047	10.2
95.04966	18.8
95.08595	2.9
97.06532	28.2
98.97594	8.7
105.07031	8.1
107.04942	2.7
107.08589	13.8
109.06542	1.5
111.08077	1.3
116.98608	14.4
117.07019	2.6
119.08578	6.5
121.06518	3.8
121.10140	15.9
123.08059	1.5
125.05991	65.3
130.07767	3.9
134.99655	27.9
135.08075	1.8
135.11685	7.4
139.07446	1.0
140.00223	1.9
145.10109	13.7
151.94450	1.0
153.00703	9.0
153.06981	1.3
158.01251	6.1
163.03990	1.6
163.07600	2.1
163.11180	100.0
164.11522	3.3
166.07765	1.5
173.65146	1.1
176.02258	2.7
181.04840	1.5
181.06352	1.0
181.08615	2.2
181.10155	2.2
181.12222	27.3
182.05827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03952	1.0
55.01866	2.7
55.05501	3.6
56.96558	2.0
57.03412	1.1
57.07077	21.6
59.04991	4.2
62.10053	0.9
63.73228	1.1
65.03931	1.2
67.05499	3.9
69.03421	1.4
69.07051	4.2
69.45741	7.9
71.04990	1.0
79.05494	13.3
81.03423	6.3
81.07063	7.4
83.04979	56.7
83.92664	0.9
85.06569	1.5
91.05489	5.5
93.07051	11.7
95.04964	17.5
95.08601	1.3
97.06531	26.4
97.86821	0.9
98.97586	5.9
105.07025	8.3
107.04958	4.5
107.08592	14.4
116.62839	1.0
116.98623	7.6
117.07006	2.4
119.08604	4.6
121.06498	5.0
121.10153	18.4
125.05991	68.2
126.06344	1.9
130.07770	2.8
134.99654	17.1
135.08043	1.3
135.11679	9.2
140.00217	1.4
145.10120	15.0
148.08774	1.4
149.47461	0.9
153.00703	4.6
158.01234	2.8
163.03856	1.1
163.11180	100.0
164.11554	3.9
166.07729	2.5
181.04922	1.1
181.08586	1.5
181.09923	1.2
181.10492	1.2
181.12227	23.9
186.62787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01873	1.7
55.05510	2.5
56.96574	2.1
57.03434	1.1
57.07072	4.8
59.04990	1.0
59.06130	0.4
65.03932	2.4
67.05502	21.4
68.05014	0.4
69.03418	1.6
69.07059	2.1
69.80582	1.8
71.04994	0.6
74.61145	0.3
77.03903	0.4
78.04721	0.5
79.05490	15.7
81.03417	2.0
81.04534	0.5
81.07055	7.1
82.04220	0.4
83.04980	12.0
83.06067	0.4
83.08607	0.7
84.04531	0.4
85.02881	0.5
85.06544	0.9
91.05476	23.5
93.07038	10.1
94.07836	0.9
95.04967	9.2
95.05955	0.3
95.08602	6.3
97.06525	6.1
97.07599	0.4
98.97581	3.2
99.05535	0.4
103.05450	2.7
104.06230	1.2
105.04501	0.6
105.07030	5.9
107.04205	0.6
107.04950	15.7
107.08591	36.3
108.08913	0.4
109.06518	3.1
109.10152	32.7
110.10488	0.7
111.04454	0.8
111.08079	0.9
115.05447	1.2
116.98632	5.0
117.07011	4.2
119.06134	0.6
119.08576	30.9
120.08887	0.4
121.06507	9.5
121.10138	9.6
122.07281	69.4
123.04466	0.5
123.05529	0.6
123.08057	2.1
125.05988	13.7
125.09633	1.0
130.07767	1.1
134.99649	7.2
135.04433	1.9
135.08049	22.4
135.11673	3.2
136.07567	0.5
136.08531	0.4
137.09610	100.0
138.06676	0.5
138.09966	2.0
139.03923	0.5
139.07573	1.1
140.08156	0.5
145.10114	3.7
147.09158	4.3
148.05199	1.6
149.05952	0.9
153.00674	2.2
153.06929	0.4
153.09068	0.4
158.01248	0.6
163.03838	0.4
163.07535	7.4
163.11179	22.9
164.08147	0.4
164.11630	0.4
181.05098	2.0
181.06369	0.5
181.08586	13.5
181.12190	5.3
182.08961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	1.3
55.05507	2.8
56.96559	2.7
57.03427	1.1
57.07073	3.6
59.05002	0.8
65.03935	2.5
67.05502	20.1
68.05018	0.6
69.03426	1.3
69.07049	1.7
69.34836	2.5
69.35254	0.8
70.06588	0.5
79.05489	15.5
81.03431	1.7
81.04559	0.3
81.07051	7.4
83.04975	8.1
83.08610	0.6
84.04456	0.3
85.02892	0.9
85.06518	0.4
91.05475	24.8
92.05792	0.6
93.03384	0.4
93.07039	9.2
94.06537	0.3
94.07822	0.7
95.04958	8.0
95.05984	0.4
95.08603	6.2
97.02879	0.4
97.06525	5.5
98.35475	0.3
98.97581	5.4
99.04449	0.5
103.05471	3.0
104.06253	1.5
105.04529	0.6
105.07031	6.4
107.04947	16.4
107.08586	37.8
108.08932	0.8
109.06522	3.5
109.10149	32.0
110.10504	0.5
111.04425	1.1
111.05576	0.3
111.08067	1.1
115.05430	1.7
115.07469	0.3
116.98611	7.3
117.06994	5.1
119.05025	0.5
119.06054	0.9
119.08574	30.7
120.08868	0.6
121.05645	0.7
121.06499	10.0
121.10136	7.1
121.10928	0.6
122.07278	69.8
123.04446	0.4
123.05554	0.5
123.08031	2.4
125.05980	8.8
125.09638	0.7
130.07755	0.5
134.99658	12.1
135.04462	1.7
135.08047	23.0
135.11661	2.8
136.07544	0.5
136.08487	0.6
137.09605	100.0
138.06731	0.4
138.09924	2.2
139.03821	0.6
139.07515	1.2
139.09726	0.5
140.08170	0.8
145.10127	2.7
147.09161	4.1
148.05170	1.1
149.05942	1.1
149.07066	0.5
153.00706	3.2
153.05502	0.6
153.07076	0.4
153.09053	0.6
153.12691	0.4
158.01225	1.0
163.03859	0.8
163.07530	7.2
163.11171	16.1
163.14818	0.4
164.06944	0.5
164.08209	0.4
167.06996	0.4
181.05113	2.4
181.06631	1.1
181.08580	13.9
181.10806	0.7
181.12177	5.4
182.04382	0.5
182.94769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
54.03458	2.8
55.01863	8.8
55.05507	12.0
56.05028	11.2
56.75032	2.3
56.96563	25.2
57.03426	8.3
57.07075	6.3
58.06586	3.4
59.06125	6.5
60.04522	4.0
65.03945	13.7
65.13313	2.6
67.02990	4.0
67.05501	16.5
68.01414	2.2
68.05025	14.6
68.99786	3.8
69.03426	10.4
69.04557	3.7
69.07066	6.5
70.06589	11.6
70.41518	2.2
71.01343	3.6
71.04987	5.1
71.06107	3.0
71.56366	2.4
72.04524	4.1
72.08144	3.3
74.02442	5.9
74.06091	3.6
79.05491	25.3
80.05021	7.7
81.03412	10.7
81.04539	8.8
81.07063	12.8
82.02955	3.0
82.06593	4.9
83.01360	3.0
83.04972	9.2
83.06091	17.9
83.08624	4.7
84.04510	9.6
84.08147	6.9
85.02921	9.8
85.07665	4.6
86.09707	3.4
87.05588	2.7
89.03919	7.4
90.04685	5.1
91.05479	38.5
93.03384	5.2
93.07043	19.9
94.06562	8.8
95.04977	25.5
95.06080	11.8
95.08602	7.8
96.04485	4.2
96.08099	3.7
97.02890	8.9
97.06531	7.2
97.07657	9.5
98.06060	4.3
98.97588	20.5
99.04469	3.1
99.05577	9.2
101.07194	2.7
103.05438	3.2
105.04475	3.2
105.07053	7.8
106.06579	3.1
107.04958	23.9
107.06068	4.4
107.08570	22.7
108.04519	5.7
108.05739	7.0
108.08132	5.2
109.02866	3.3
109.04819	3.9
109.06513	8.6
109.07631	8.6
110.05997	5.5
110.07176	8.4
111.04449	35.5
111.05163	3.5
111.05563	3.8
111.08043	7.2
111.54999	5.1
112.55740	100.0
113.05942	11.3
114.06648	3.2
114.72226	2.5
116.98600	34.2
117.03394	9.7
117.07024	6.4
118.06551	3.5
118.88576	2.2
119.01849	6.3
119.04930	22.2
121.02914	3.8
121.03983	2.7
121.06474	13.2
121.10136	15.2
122.06027	27.4
122.07140	13.7
123.04417	13.9
123.05457	6.1
123.08022	3.7
124.08714	9.1
125.06001	15.4
125.07098	7.2
126.55491	23.8
133.07088	5.5
134.05948	3.3
134.99660	51.4
135.04434	27.3
135.05347	4.8
135.06795	74.2
135.08029	18.3
135.11697	7.5
135.56963	8.4
136.03899	4.5
136.07587	54.7
136.08681	8.5
137.06013	9.6
137.07053	3.9
137.09641	4.1
138.06615	3.1
139.03922	26.5
139.07542	5.6
139.09816	2.9
140.08191	8.9
141.08952	3.4
141.90363	2.6
145.02872	7.7
145.10146	3.2
146.99661	3.2
149.02322	3.9
152.06224	5.2
153.00758	14.4
153.05429	6.4
153.06680	4.6
153.09111	4.7
154.09767	6.1
158.01263	5.0
158.99731	4.4
163.03912	40.1
163.07526	7.5
163.09857	4.8
163.11200	10.2
164.07060	10.2
164.08228	8.1
164.10703	15.5
164.11826	2.6
166.79398	2.6
167.48076	2.5
177.00783	8.9
181.01357	4.4
181.04912	16.2
181.06442	24.8
181.08458	12.9
181.10835	24.2
181.12263	12.1
182.04453	5.3
182.11732	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	180.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.01853	0.2
55.05510	0.2
56.96562	5.0
57.07051	0.1
58.59525	0.1
61.12965	0.1
62.87767	0.1
65.03932	0.2
67.05482	0.4
69.03419	0.3
69.07050	0.2
71.01202	0.2
71.01537	0.3
71.95251	0.5
72.63241	0.1
78.50224	0.1
79.05489	0.7
79.63887	0.1
80.04998	0.2
81.07053	0.5
83.04973	0.3
91.05460	1.7
93.07036	2.8
95.04962	0.8
95.08607	0.3
96.08909	0.2
97.96774	0.1
98.97578	3.1
101.02352	0.2
102.63028	0.1
103.05457	9.1
104.05762	0.2
105.03375	0.2
105.07021	0.2
106.03681	0.2
106.06559	0.2
107.08574	0.5
108.04465	0.5
110.10511	0.1
116.98609	4.7
116.99449	0.2
117.06991	0.2
118.06503	0.2
119.08515	0.1
120.08094	100.0
121.06496	5.4
121.08425	2.8
121.10117	0.3
125.05943	0.3
131.04915	1.1
134.05986	0.3
134.10571	0.1
134.99644	7.3
135.08041	0.5
135.11665	0.3
137.05939	0.2
139.03891	0.4
140.00209	0.2
148.04831	0.2
152.07045	0.3
153.00688	2.0
158.01233	0.8
162.09006	0.1
163.07535	0.6
163.11205	0.4
165.09070	0.3
166.07805	0.2
175.02776	1.9
176.02310	0.2
180.06532	0.6
180.08022	0.3
180.10172	1.2
180.17497	0.1
181.04909	0.3
181.08591	0.5
181.10062	0.2
181.12257	0.3
193.03831	1.7
193.78516	0.1
198.04407	0.2
199.06326	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02385	0.6
52.73609	0.5
53.03944	4.7
53.18947	0.6
53.33162	0.5
55.01867	9.2
55.05509	29.9
56.96567	1.1
57.03442	3.2
57.07070	2.8
59.05009	1.0
64.55476	0.5
65.03941	4.0
67.05502	100.0
68.05827	1.0
69.03423	1.9
69.07069	16.1
71.04986	2.0
77.03891	0.6
77.25172	0.5
79.05492	66.5
80.05807	0.9
81.03415	24.3
81.07054	91.5
82.07400	1.1
83.04978	33.5
83.08614	13.1
84.05296	0.9
84.24873	0.6
85.06541	3.2
91.05479	52.8
92.05804	1.1
93.07040	41.9
94.06558	0.8
94.51581	0.6
95.04970	16.0
95.08605	71.9
95.99232	0.6
96.08932	1.1
97.06528	29.4
97.10165	2.6
98.06844	0.8
99.08081	1.5
103.05541	1.0
105.04530	1.0
105.07028	27.9
106.06602	0.7
106.07284	0.6
107.08593	12.0
108.04478	1.1
109.06508	6.9
109.10155	12.4
111.08073	8.6
113.09639	6.4
117.07023	2.4
119.04917	1.8
119.08581	30.8
121.06483	0.9
121.10127	5.4
123.04411	3.1
123.08061	5.5
123.11727	1.1
131.08589	1.2
132.29074	0.6
133.02858	2.1
133.06546	1.0
133.10126	18.3
135.11705	5.9
136.05121	0.7
136.07550	1.3
137.05930	0.9
137.09602	3.2
147.04404	2.2
151.03915	1.3
159.11671	1.2
161.05943	1.4
161.09534	0.8
161.13243	12.1
162.05452	0.6
179.03351	6.3
179.06580	1.9
179.08313	1.1
179.10681	1.8
179.14301	36.3
180.14630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.2
55.01848	2.9
55.05272	1.3
55.05509	18.2
57.03440	3.9
57.07069	7.0
59.04992	1.8
59.74670	0.8
65.03934	3.0
67.05502	58.5
68.05836	1.1
69.03414	4.3
69.07069	9.3
69.72328	5.6
71.04978	4.6
77.03895	0.8
79.05488	24.0
81.03390	1.9
81.07050	100.0
82.07374	1.4
83.04976	2.3
83.08607	5.9
85.06524	2.9
85.10178	1.4
91.05475	14.0
93.07038	27.3
94.07361	1.0
95.04964	20.2
95.08601	72.6
97.06508	4.4
97.93729	0.8
103.05483	0.8
105.07023	22.4
107.04950	1.8
107.08563	10.7
109.06509	22.5
109.10149	23.7
110.23668	0.8
111.08096	1.9
117.07015	1.5
119.04912	1.4
119.08572	16.9
121.10157	6.5
123.04444	3.1
123.08067	21.4
123.11668	1.3
133.02847	2.7
133.10126	9.7
135.11673	4.2
136.08914	0.8
137.09615	7.6
137.13243	1.0
147.04395	3.3
151.03862	1.3
151.11237	1.2
151.14810	4.1
161.05946	1.7
161.09546	1.0
161.13277	10.2
162.27145	0.8
179.03395	8.5
179.06964	1.8
179.10715	2.5
179.14301	31.2
180.14679	1.7
197.71718	0.9
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
51.59924	1.2
53.03933	2.8
55.01854	3.0
55.05267	1.4
55.05508	19.9
56.96535	0.9
57.03429	6.2
57.07072	6.3
59.05001	1.4
65.03920	2.8
67.05500	92.4
68.05824	1.2
69.03426	6.9
69.06731	1.1
69.07065	15.3
69.66025	6.6
71.04982	6.4
71.08597	1.0
79.05486	23.4
81.03402	5.8
81.07051	60.5
83.04960	4.2
83.08606	4.1
85.06519	2.5
85.10167	1.9
91.05479	16.1
93.07039	27.5
95.04963	23.0
95.08602	100.0
95.92931	0.9
96.08931	1.5
97.06515	2.8
103.05477	1.4
105.07026	18.7
107.04987	2.0
107.08581	13.6
109.06505	14.0
109.10150	48.6
110.10478	1.1
111.08071	1.3
117.06998	2.5
119.04932	1.0
119.08572	18.9
121.06418	1.0
121.10125	4.1
123.04421	2.9
123.08057	20.6
123.11670	1.0
131.08534	1.1
133.02841	1.9
133.06471	1.3
133.10103	9.4
135.11684	4.6
137.09612	22.3
137.13225	1.8
147.04381	4.4
151.03879	1.6
151.11185	2.2
151.14807	7.7
161.06021	1.3
161.13202	6.7
179.03368	8.1
179.06604	1.7
179.08455	1.4
179.10799	1.3
179.14299	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02367	0.5
52.50083	0.4
53.03941	1.7
55.01872	4.8
55.05505	8.2
56.96563	2.6
57.03436	7.7
57.07067	2.2
59.05002	0.6
59.41967	0.5
65.03930	2.7
67.05499	46.0
68.05824	0.6
69.03419	3.4
69.06677	0.5
69.07062	10.7
71.04975	3.8
76.45499	0.5
79.05487	32.4
80.05788	0.6
81.03414	0.6
81.07050	100.0
82.07383	1.8
83.04979	8.2
83.08616	4.5
85.06540	10.4
87.61110	0.5
91.05474	35.3
92.05822	0.9
93.07037	43.4
94.07349	1.1
95.04967	8.0
95.08598	74.0
96.08956	1.7
97.06522	19.3
97.07149	1.1
99.08086	8.3
102.80499	0.5
103.05458	1.1
105.03382	2.2
105.07022	39.4
106.07364	0.8
107.05030	0.7
107.08580	17.5
108.04469	0.7
108.08080	0.5
108.51659	0.4
109.06516	6.6
109.10143	8.7
111.08079	5.7
113.09686	0.8
115.05475	0.6
117.06995	2.3
118.06514	0.7
119.04924	3.8
119.08570	54.6
120.08918	0.9
121.06478	0.7
121.10137	15.3
122.10506	0.5
123.04437	2.6
123.08048	10.7
123.11680	2.0
131.08548	1.2
133.02823	2.2
133.06517	1.6
133.10118	33.4
134.06039	0.9
134.10461	0.8
135.04413	0.7
135.07977	0.8
135.11681	30.9
136.07521	1.2
136.11980	0.9
137.05952	1.4
137.09598	5.0
137.13277	2.5
146.03554	0.6
147.04407	4.0
151.03882	1.0
151.07510	0.9
151.11156	1.9
159.11725	1.2
161.05954	2.0
161.09642	1.3
161.13243	78.3
162.13567	2.6
175.02762	1.2
179.03403	7.1
179.06555	2.3
179.10939	2.4
179.14296	72.3
180.07980	1.6
180.14627	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	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
56.05045	0.8
56.96558	0.7
64.71590	0.3
67.05508	0.4
69.92149	1.1
69.92546	0.5
72.04514	1.7
75.16991	0.3
75.54267	0.3
79.05495	0.6
80.05009	0.5
90.04245	0.6
91.05476	1.4
92.05003	0.5
93.05807	0.7
93.07045	0.6
94.06538	0.6
95.05000	0.5
95.06084	0.7
105.07015	0.8
106.06564	0.6
107.08578	0.6
115.05450	0.5
117.07031	1.7
118.03716	0.8
118.06544	15.1
119.04969	0.5
119.07335	12.4
120.08122	0.7
132.08112	1.5
134.09651	78.1
135.09981	2.4
137.08244	0.6
146.03200	0.9
150.05446	0.6
160.11220	1.4
162.09151	4.0
163.09906	1.4
178.12268	100.0
179.03374	0.8
179.12628	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	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13607	4.8
56.05037	7.2
56.96569	49.0
57.07091	8.1
68.05042	6.2
69.04533	5.8
70.11717	10.4
70.12122	15.5
81.07062	4.9
83.06094	5.3
91.05449	8.0
95.04977	7.9
95.06086	18.2
98.97596	7.3
100.02475	17.2
101.00915	7.9
103.02448	7.2
105.07024	15.4
109.06525	5.8
118.03503	13.4
119.01924	100.0
119.04919	11.4
124.85026	4.7
128.72156	4.9
133.01727	8.6
133.03516	26.2
133.10098	8.6
134.02980	25.4
134.99698	6.1
137.02956	43.4
137.08231	26.7
147.04437	10.3
151.04501	21.3
152.04036	5.7
155.99687	19.8
156.05040	13.8
156.97557	5.9
157.03436	11.9
157.04596	7.1
157.87802	5.6
161.02969	6.4
161.05965	6.8
174.00760	46.4
174.04381	7.7
174.06161	10.6
174.98543	13.2
175.04381	5.9
179.00604	5.8
179.03842	22.1
179.09319	8.3
179.10698	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	178.0821
Annotation	O-Ureido-L-homoserine
Peak:m/z	Relative Intensity
50.83014	0.3
52.61798	0.3
56.05030	27.2
56.96549	0.4
57.04561	1.3
57.05363	0.5
58.04062	0.3
59.54043	0.2
62.02439	1.2
63.19820	0.3
69.45146	0.3
69.50922	2.3
70.02959	0.8
71.03732	0.8
72.04510	100.0
73.02903	0.7
73.04862	1.4
74.02438	2.0
74.06078	3.2
75.03214	0.3
76.05122	2.9
77.04821	0.8
77.05461	0.7
82.02943	1.1
85.03982	0.3
85.38667	0.2
86.02412	0.5
86.29935	0.3
89.04766	6.2
89.05287	0.4
89.07144	4.3
97.15164	0.2
97.15977	0.2
100.03965	0.7
102.05540	1.3
103.05862	0.4
104.41399	0.3
113.56793	0.3
115.05038	12.1
117.06607	6.7
117.07376	0.5
118.05009	15.7
119.05349	0.8
135.07635	12.1
151.26529	0.3
155.46768	0.3
161.05571	17.3
162.05899	0.3
172.95282	0.3
178.08247	1.8
193.24161	0.3
198.71060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02370	0.9
53.03931	4.2
55.01848	1.9
55.05510	17.2
57.07069	2.4
65.03938	3.3
65.76011	1.0
67.05502	56.0
69.06721	1.2
69.07064	13.9
70.93863	0.8
70.96011	2.6
71.08619	1.0
72.04510	1.5
76.05111	1.9
77.03910	1.2
79.05489	79.3
80.05825	1.1
81.03400	1.1
81.07053	46.3
82.07368	1.2
82.87914	0.8
83.08617	9.5
89.03893	5.0
90.53889	0.9
91.05479	22.8
93.07040	93.5
94.07372	1.5
95.04967	8.4
95.08602	57.2
96.08961	1.2
97.06522	2.1
97.10155	4.0
98.98464	21.1
103.05433	1.3
105.04501	1.3
105.07024	10.1
107.04960	4.4
107.08588	46.0
109.06501	3.5
109.10149	19.6
115.05479	0.8
117.03368	5.9
117.07000	6.5
119.08569	3.5
121.06493	3.0
121.10136	100.0
122.10441	2.4
123.08054	0.9
131.08557	7.6
133.10143	8.7
134.03662	1.3
135.08040	2.8
135.11681	36.8
136.12036	0.8
145.02831	6.9
149.02324	3.2
149.05939	3.4
149.07008	1.1
149.09613	1.9
149.13243	5.4
159.08037	1.5
159.11690	10.4
170.93520	0.8
177.05449	3.8
177.06746	1.8
177.08978	1.7
177.12744	21.5
177.16383	37.2
192.84676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.98082	0.7
52.32227	0.7
53.03947	3.1
55.01869	2.0
55.05505	16.0
56.05038	0.8
56.39233	0.7
57.07069	2.3
60.12868	0.7
61.60904	0.7
65.03937	1.6
67.05501	50.8
67.79668	0.7
69.07064	13.5
70.96799	1.6
71.04960	0.8
71.08634	1.2
72.04514	1.7
74.54173	0.6
76.05145	1.9
77.03921	0.9
78.04668	0.8
79.05488	74.3
80.05840	1.0
81.03417	1.2
81.07053	42.4
83.04996	1.2
83.08611	9.0
89.03915	8.3
90.04282	1.1
91.05476	27.0
92.05814	0.9
93.07037	90.7
94.07368	1.8
95.04968	10.6
95.08600	50.9
97.06513	2.0
97.10164	3.0
98.98463	23.8
103.05460	1.7
105.03374	1.1
105.04516	1.1
105.07032	10.0
106.04155	1.0
107.04962	1.4
107.08585	47.5
108.08887	1.2
109.06525	3.0
109.10152	20.8
111.08064	1.1
116.99484	1.1
117.03360	11.0
117.07033	6.2
119.06047	1.0
119.08562	4.5
121.02846	1.4
121.06518	3.8
121.10136	100.0
122.05994	0.8
122.10455	3.1
123.08083	1.0
129.07007	1.0
131.04898	1.2
131.08566	8.4
133.06476	1.3
133.10101	7.5
134.03593	2.1
134.05983	0.7
135.04434	1.9
135.08032	2.2
135.11687	39.6
136.12036	1.1
145.02831	10.3
149.02316	3.6
149.05984	5.6
149.09624	1.8
149.13251	5.2
159.08084	1.3
159.11690	8.3
160.07495	0.8
160.65279	0.7
177.05394	6.2
177.06451	1.0
177.06810	1.4
177.09120	2.6
177.10469	0.9
177.12740	18.7
177.16371	40.2
178.04794	0.8
178.13109	1.1
178.16751	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62938	0.9
53.03947	1.8
55.05508	13.8
56.96545	1.5
57.07062	1.9
61.48677	0.8
65.03924	2.5
67.05505	9.4
69.03435	1.2
69.07066	33.4
71.57030	1.3
71.57387	1.0
72.04491	2.4
72.92578	1.1
76.05124	5.4
78.04696	2.4
79.05491	19.0
81.07053	15.1
83.08147	1.4
83.08616	20.0
84.53408	0.8
89.03914	24.1
91.04964	1.6
91.05479	16.7
93.07040	41.2
95.04969	5.5
95.08606	36.4
97.10140	1.7
98.98465	27.5
98.99109	1.5
103.05453	3.1
104.21313	0.8
105.04496	1.1
105.07029	14.5
106.04158	2.6
107.04964	1.8
107.08593	80.4
108.08897	2.3
109.00906	0.8
109.06515	2.8
109.10153	11.7
116.06321	0.8
116.99528	1.5
117.03369	36.4
117.06995	2.9
118.05014	1.8
119.08574	3.9
120.08937	1.0
121.06487	3.2
121.10139	100.0
122.10410	2.0
123.08080	1.0
124.05162	1.1
124.85142	0.8
127.54660	1.1
131.08595	4.9
131.09442	0.9
133.07509	0.9
133.10118	1.9
134.03624	5.7
135.04385	3.6
135.08035	2.3
135.11691	19.4
140.01062	0.9
145.02840	38.8
146.03169	2.4
149.02301	4.2
149.05975	13.1
149.09639	1.8
149.13281	5.2
159.08083	1.6
159.11688	2.1
160.03824	1.0
160.07370	1.0
163.03902	1.5
177.05424	14.6
177.06656	1.2
177.09097	2.6
177.12755	7.8
177.16379	44.1
178.05035	1.4
178.08591	1.0
178.16722	2.4
186.05484	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	2.6
55.01868	1.9
55.05506	11.4
55.59964	0.8
56.04996	1.0
57.07061	1.9
60.93464	0.9
63.02361	1.4
65.03926	3.3
67.05502	25.5
69.03424	33.9
69.07063	13.1
71.04980	2.8
72.04501	2.2
76.05112	1.9
78.04697	3.7
79.05061	1.5
79.05489	19.3
81.03399	0.8
81.07051	33.4
83.04967	3.7
83.08602	1.2
83.74817	0.9
85.06512	1.6
89.03912	43.0
90.04223	1.8
91.04897	1.7
91.05476	29.4
92.05722	0.9
93.07037	54.5
94.07352	1.4
95.04964	52.3
95.08141	0.9
95.08611	9.2
97.06520	7.7
98.98464	5.6
100.85458	0.8
103.05450	4.0
105.06302	1.4
105.07021	27.5
106.04162	5.2
107.04935	3.6
107.08587	97.5
108.08922	3.1
109.06513	22.4
111.07251	0.8
115.05429	3.2
117.03372	66.0
117.07014	18.0
118.03720	1.8
119.06041	1.1
119.08575	23.1
121.06495	35.0
121.10133	44.4
123.08037	3.5
124.05233	1.5
126.28506	1.0
129.06999	8.8
130.07771	2.3
131.08566	25.8
133.06512	4.6
133.07385	1.1
133.10117	19.5
134.03656	9.7
135.04428	4.8
135.08046	58.6
135.11679	18.9
136.08380	2.0
142.07799	1.8
143.08644	1.1
144.09344	12.5
145.02837	71.5
146.03156	3.3
147.08072	2.3
147.11649	1.1
148.08789	2.5
149.05965	26.2
149.09622	4.7
149.13246	24.4
150.06332	1.0
157.10014	1.9
159.08034	1.3
159.11690	44.2
160.07536	2.3
160.12016	1.4
162.03096	1.4
162.10381	2.8
163.03873	1.6
177.05464	17.7
177.09152	3.3
177.12735	100.0
178.13087	4.0
186.05560	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	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03936	2.0
55.01861	2.0
55.05513	4.9
56.05018	1.6
56.96535	0.7
57.07048	1.1
58.04075	0.7
64.90688	0.5
65.03940	1.8
67.05505	8.5
69.03082	0.7
69.03429	9.8
69.07067	8.9
69.57864	4.2
72.04509	4.5
76.05125	3.0
77.03924	1.0
78.04713	1.9
79.05488	13.1
81.07054	21.8
83.04961	2.2
83.08615	1.4
85.06525	1.1
89.03912	20.9
90.04252	0.8
91.05478	21.8
92.05775	0.8
93.07041	48.3
94.07361	1.3
95.04961	14.5
95.08613	7.6
95.15316	0.6
97.06512	2.1
98.98454	5.4
102.05561	0.9
103.05476	3.0
105.04511	0.7
105.07024	19.8
106.04185	2.7
107.04948	2.4
107.08591	40.7
108.08890	1.2
109.06515	6.9
109.10136	0.6
115.05431	2.0
116.06255	0.9
117.03382	31.9
117.07019	13.4
118.03686	0.8
118.05006	1.4
119.08579	12.1
120.08049	0.8
121.06501	100.0
121.10136	21.6
122.06753	3.0
122.10457	0.8
123.08100	0.8
124.05220	0.7
129.06993	6.1
130.07751	1.8
131.04913	0.7
131.08563	15.8
132.08919	1.0
133.06488	2.0
133.07506	0.9
133.10118	7.6
134.03647	4.1
135.04454	3.7
135.08054	14.0
135.11679	7.9
140.52589	0.5
142.07732	1.0
144.09329	8.2
145.02840	33.7
146.03168	1.7
147.08020	0.8
147.11655	2.2
148.08786	0.6
149.02377	1.0
149.05975	11.5
149.09579	3.0
149.13257	29.4
150.13480	0.7
157.10100	1.9
159.08055	1.9
159.11690	28.7
160.07350	0.8
160.11960	1.7
162.03078	1.1
162.10400	0.7
177.04012	1.0
177.05464	8.9
177.09128	2.2
177.12744	44.6
177.16350	1.9
178.13094	2.5
186.05586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01614	0.5
53.03947	1.1
55.01871	0.7
55.05506	1.1
57.07056	0.7
57.58087	0.5
59.06129	0.7
62.35571	0.5
63.02382	2.0
65.03937	1.0
67.05495	1.3
69.03397	0.6
69.07056	2.2
69.63490	2.9
72.04508	2.3
74.27325	0.4
76.05134	2.0
78.04709	6.1
79.05484	4.1
81.07041	2.4
83.08643	1.0
89.03913	63.3
90.04247	1.7
91.05479	8.1
93.07035	7.1
94.36118	0.5
95.04953	3.7
95.08597	2.2
98.98460	5.5
103.05460	4.0
105.03390	1.5
105.07035	2.4
106.04163	5.6
107.04945	0.6
107.08579	6.2
109.06514	1.2
115.05483	0.6
117.03374	94.8
117.07004	1.4
118.03699	2.5
118.04979	1.0
119.04944	0.7
119.08572	2.6
121.02791	0.6
121.06496	19.3
121.10146	6.2
122.06055	0.6
124.05222	2.2
131.08560	2.9
132.04424	0.5
133.10123	1.0
134.03630	11.9
135.04407	10.3
135.08020	2.4
135.11687	2.4
136.08763	0.8
144.09338	0.7
145.02838	100.0
146.03156	2.9
149.02342	0.7
149.05972	30.9
149.09637	0.7
149.13211	0.8
150.06355	1.0
158.05989	1.2
159.07986	1.0
159.11705	2.4
162.03111	2.2
163.03905	2.9
174.15425	0.5
177.05458	22.9
177.09073	1.9
177.12743	5.5
177.16382	1.8
186.05504	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	1.5
55.05506	2.0
56.05036	0.9
63.02383	1.8
67.05495	2.5
69.03403	1.3
69.07064	3.4
70.83704	1.2
70.84039	1.0
72.04512	1.9
76.05128	2.0
78.04711	4.0
78.18646	0.6
79.05491	4.7
81.07063	6.2
81.21661	0.6
83.08633	1.2
89.03916	56.6
90.04256	1.1
91.05479	10.0
93.07040	15.5
95.04965	5.3
95.08594	4.0
98.98450	2.9
103.05464	2.7
105.03331	0.9
105.07024	6.0
106.04189	3.5
107.08591	12.4
109.06522	1.9
109.10149	1.3
112.33529	0.6
115.05476	0.7
117.03380	91.6
117.07027	4.6
118.03702	2.5
119.08591	4.3
121.06503	36.2
121.10126	8.0
124.05221	1.2
129.07013	2.1
130.07825	0.6
131.08560	6.4
133.06540	0.8
133.10138	1.7
134.03641	12.3
135.04427	9.9
135.08073	3.4
135.11697	2.6
144.09399	2.8
145.02844	100.0
146.03165	2.9
147.04402	1.3
149.02348	0.7
149.05977	28.7
149.09613	0.7
149.13264	9.1
149.77475	0.5
150.06334	1.0
158.06006	0.8
159.08095	0.7
159.11685	8.7
162.03117	2.6
163.03893	2.6
177.05461	19.7
177.09103	2.4
177.12750	12.2
177.16382	2.3
178.05859	0.8
186.05556	1.8
190.12328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03948	2.1
55.01876	1.2
55.05505	6.6
55.53490	0.5
56.05039	0.6
56.96563	0.9
57.03410	0.8
57.07075	0.9
63.02379	2.6
65.03941	1.3
67.05503	4.7
69.07065	15.2
71.57465	0.9
72.04501	1.0
74.06035	0.6
76.05106	3.2
76.60810	0.5
78.04712	5.3
79.05482	10.2
81.07047	6.0
83.08614	7.7
85.22428	0.6
86.01875	0.6
89.03914	62.4
90.04234	1.1
91.05470	13.0
93.07037	22.5
95.04953	4.8
95.08603	20.3
97.10166	1.1
98.98465	18.3
103.05451	3.9
105.03407	1.2
105.07027	7.0
106.04180	3.9
107.04976	1.0
107.08591	38.6
109.06519	1.6
109.10132	5.5
116.06293	0.7
116.99506	1.2
117.03374	100.0
117.07002	1.4
118.03696	3.4
118.04986	1.0
119.04955	1.2
119.08582	3.7
121.02901	1.0
121.06499	2.8
121.10138	46.1
123.08047	0.9
124.05214	2.5
127.80960	0.6
131.04964	0.8
131.08553	3.3
133.07581	0.7
133.10114	1.6
134.03633	13.0
134.05891	0.8
135.04414	10.6
135.08055	1.3
135.11681	7.9
144.09282	0.7
145.02838	99.2
146.03192	3.4
149.02324	2.5
149.05972	32.2
149.09627	0.6
149.13202	3.1
150.06335	0.7
158.05980	3.3
159.07994	1.3
159.11673	1.9
162.03134	2.7
163.03882	3.4
177.05446	29.4
177.06596	1.1
177.08855	2.8
177.12769	6.4
177.14799	1.2
177.16359	20.4
178.05794	0.7
186.05498	6.9
186.48637	0.6
187.05757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.0
55.01862	0.7
55.05512	1.3
56.96547	0.5
61.70701	0.4
63.02381	1.5
65.03931	0.7
67.05498	0.9
69.03390	0.4
69.07082	2.4
70.05298	2.5
72.04516	1.4
76.05132	1.5
78.04721	5.1
79.05492	3.5
81.07056	2.0
83.08618	1.7
89.03916	63.4
90.04251	1.1
91.04952	0.8
91.05478	6.9
93.07037	5.4
95.04970	3.4
95.08609	4.3
98.98466	3.4
103.05473	2.5
105.03409	0.9
105.07017	1.4
106.04170	6.0
106.24720	0.5
107.04953	0.6
107.08591	6.4
109.10158	1.6
110.62738	0.5
117.03379	94.1
118.03724	2.1
119.04933	0.9
119.08527	0.7
121.06490	2.5
121.10150	7.8
124.05197	2.0
131.08548	1.2
133.10115	0.7
134.02603	0.9
134.03639	11.2
135.04414	8.7
135.11705	2.8
145.02843	100.0
146.03162	3.2
149.05980	29.3
149.13263	1.0
150.06291	1.1
154.71916	0.5
158.06018	1.6
159.08078	0.5
159.11667	0.8
162.03082	2.4
163.03909	2.1
177.05469	22.4
177.09065	1.6
177.12704	1.2
177.16389	3.4
186.05544	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00558	0.5
60.05647	6.2
61.05354	0.9
61.05974	1.4
66.41591	0.5
69.87888	3.6
70.06587	13.6
71.06316	1.0
71.06921	13.9
72.04511	1.3
72.08154	0.8
76.05137	2.9
82.96278	0.7
97.29173	0.6
98.20780	0.7
113.09106	0.7
116.07101	1.6
116.14059	0.6
117.07439	4.3
118.05074	0.7
121.96840	0.6
122.19048	0.8
130.09741	0.8
131.10101	1.7
132.02107	100.0
133.02460	2.0
150.03171	2.1
159.09573	1.2
176.01091	19.8
176.12294	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	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.1
56.96564	40.2
58.99848	2.3
69.03438	2.3
69.43749	18.3
69.56079	1.8
71.95273	2.6
75.12555	2.0
79.05483	3.0
89.03925	4.8
91.05508	2.9
98.82453	2.0
98.97588	87.9
98.98456	15.7
100.02417	2.3
105.02184	5.2
107.08604	3.2
116.98620	95.0
117.03378	7.8
117.99020	2.3
118.03537	2.7
119.01931	9.7
119.06915	1.9
121.01685	10.8
123.03251	2.3
127.02520	2.1
131.01906	22.5
131.08582	3.3
134.02872	2.5
134.99661	100.0
135.03181	16.0
136.02768	3.9
137.02954	4.5
139.02679	3.8
140.00174	3.1
145.02898	6.7
149.02986	7.2
149.06033	4.1
153.00703	27.3
153.04237	6.9
154.03473	12.6
155.01837	2.8
158.01314	5.3
172.01482	11.4
172.04597	9.1
172.94287	7.0
173.02927	7.6
173.04158	6.3
176.02420	2.2
177.00941	5.9
177.04185	11.1
190.95267	14.8
191.05200	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.28997	0.7
52.21251	0.7
53.03946	1.9
55.05508	9.7
57.03432	1.5
57.07074	1.1
58.01527	0.8
60.05645	1.6
65.03933	0.8
65.97005	0.7
67.05506	4.8
69.07069	21.1
70.06580	6.2
71.48936	1.3
79.05493	7.7
81.07056	19.8
83.08624	3.2
91.05479	22.0
92.90459	0.8
93.07039	12.0
95.04971	1.6
95.08609	11.3
98.98465	87.8
99.71242	0.9
103.05451	2.0
104.06262	1.1
105.07029	47.7
106.07334	1.7
107.08593	11.3
109.06522	0.9
115.05463	2.1
116.07097	2.0
116.99461	4.8
117.07018	6.4
118.00970	0.8
119.08578	100.0
120.08128	0.8
120.08855	1.6
120.09444	0.7
121.10145	3.0
127.24030	0.7
129.06947	2.1
130.06497	1.3
131.04918	0.9
131.08560	10.8
132.05719	0.7
132.09299	0.9
133.10127	94.4
134.10449	3.9
140.01073	1.7
142.07808	0.9
144.09291	1.0
145.09029	1.3
145.10112	10.2
146.10867	3.4
147.08054	1.6
147.11694	22.4
151.93954	1.1
157.04283	1.2
157.10150	1.2
159.11696	1.9
160.05231	1.0
160.12471	6.4
173.13242	2.3
175.03867	1.4
175.07585	2.7
175.11235	5.4
175.14819	81.7
176.15157	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03926	1.2
55.05509	10.8
55.90511	0.8
56.96563	1.6
65.03913	1.2
67.05502	6.6
69.07063	17.7
69.60530	0.7
70.06578	3.8
71.57430	1.5
79.05486	8.5
81.06580	1.5
81.07050	26.5
83.08600	2.2
91.05476	31.8
93.07043	12.1
95.04948	1.6
95.08603	17.1
98.98460	24.1
103.05435	2.2
105.07024	73.0
106.07357	1.6
107.08582	13.4
109.10189	1.8
115.05466	2.8
116.05056	1.1
117.05750	2.0
117.07018	6.7
119.08573	100.0
120.08919	3.4
121.10108	2.9
129.06999	2.3
130.06544	1.2
131.08557	10.5
132.09296	1.7
133.06451	1.6
133.10121	75.1
135.05577	0.9
142.07780	2.6
142.89746	0.8
144.04401	2.9
145.06523	0.8
145.10112	5.8
146.10895	4.1
147.08038	2.2
147.11673	24.0
148.12048	1.5
157.10083	2.6
160.05157	3.6
160.12473	2.8
162.05472	1.5
169.07431	0.9
175.07501	5.6
175.11281	7.8
175.14815	95.2
176.06952	1.2
176.15256	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03950	0.5
55.00582	0.5
55.01877	0.8
55.05508	8.9
57.07072	1.3
58.71959	0.5
60.05637	2.6
60.57727	0.5
65.03931	0.7
67.05507	2.6
69.07063	24.2
69.52493	0.5
70.06592	8.3
71.01588	1.4
71.04975	0.5
74.81400	0.4
77.03919	0.5
78.04707	0.5
79.05490	4.1
79.55940	0.5
81.07051	9.2
83.08620	4.4
83.86211	0.5
87.55901	0.5
91.05476	18.3
93.07021	5.2
94.10088	0.5
95.04971	0.6
95.08602	7.0
98.98460	15.2
102.57558	0.5
103.05460	1.8
103.82286	0.5
104.06251	1.3
105.03384	0.6
105.07020	31.0
106.07349	1.2
107.04971	0.9
107.08580	6.0
109.06474	0.8
110.10921	0.5
115.05450	18.3
116.05634	0.9
116.06333	1.1
116.07110	1.6
116.99472	0.8
117.07006	9.1
118.07790	0.7
119.04939	1.2
119.08571	100.0
120.08817	2.9
121.10136	3.3
128.06221	1.9
129.07002	2.6
130.09747	1.2
131.04924	1.5
131.08551	6.5
132.05692	6.3
133.10118	82.0
134.10452	2.8
135.11609	0.8
143.04936	1.9
144.05659	4.5
144.09326	0.7
145.06491	1.2
145.10118	9.2
146.10872	1.5
147.04488	0.7
147.08023	3.3
147.11670	13.0
155.06053	0.7
157.10098	0.8
158.10759	0.6
159.11659	1.2
160.05185	28.8
160.12448	4.6
161.05568	2.1
173.13272	2.4
175.07523	27.0
175.11366	2.2
175.14807	77.5
176.07944	1.4
176.15218	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
50.37934	0.6
53.03942	0.9
55.05510	9.4
57.07088	1.0
60.05640	2.6
65.03928	1.0
67.05499	2.8
69.03398	1.2
69.07067	22.8
69.57243	3.5
69.57658	1.3
70.06592	8.7
70.07408	0.5
71.04984	0.6
73.02952	0.5
74.27689	0.5
79.05495	4.4
79.12022	0.6
81.07056	8.6
83.08616	4.9
88.72813	0.6
90.85383	0.6
91.05482	18.8
93.07030	4.3
95.04987	1.2
95.08601	7.3
97.02909	0.6
98.20807	0.8
98.98464	30.3
103.05463	1.3
105.07027	35.3
107.08588	8.2
111.47848	0.6
115.05476	2.8
116.06299	0.8
116.07105	1.8
117.07023	6.5
118.07809	1.1
119.08577	100.0
120.08833	2.8
121.10148	2.5
128.06239	1.0
129.06987	2.2
130.06540	1.0
131.08577	7.0
132.05623	0.6
132.09315	0.7
133.10126	87.9
134.07118	0.8
134.10468	1.9
142.07722	1.4
145.10115	9.1
146.10812	1.6
147.04416	0.7
147.08032	1.5
147.11690	16.2
157.10106	1.9
159.11684	1.4
160.05188	5.2
160.08839	1.6
160.12477	4.8
160.14745	0.6
173.13203	1.9
174.11948	0.6
175.07542	5.5
175.11205	4.9
175.14824	81.4
176.15305	2.9
178.54156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03935	1.4
55.05514	7.8
59.80179	0.9
60.05635	1.7
65.03934	1.3
67.05502	11.3
69.03416	1.1
69.06728	1.4
69.07066	19.6
70.06581	2.9
79.05497	12.3
81.06586	1.5
81.07049	25.9
83.08585	2.8
91.05476	43.5
93.07043	15.5
95.04945	2.1
95.08598	19.6
98.98463	58.6
103.05460	3.4
105.07025	88.9
106.07333	2.8
107.08588	15.7
109.10135	2.7
115.05473	1.5
116.99502	1.8
117.07024	8.3
119.08575	100.0
120.08915	2.9
121.10164	4.9
129.06996	2.8
130.06522	1.2
131.08569	11.3
131.28220	0.8
133.06502	1.1
133.10124	62.0
134.10478	2.6
135.98927	1.0
142.07750	1.5
145.10101	4.4
146.10876	3.6
147.04399	1.1
147.08070	1.6
147.10521	1.0
147.11688	20.7
148.12041	1.2
157.10132	2.5
159.11632	1.5
160.05202	1.6
160.12442	2.6
173.13258	2.1
175.07550	2.5
175.11287	7.5
175.14816	86.1
176.15231	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.67398	0.7
55.05508	8.1
57.07071	1.1
64.42550	0.6
65.03952	0.6
67.05497	2.8
69.07066	15.3
71.57654	0.8
71.58176	0.9
79.05495	4.6
81.07056	8.8
83.08615	3.0
91.05479	15.9
93.07035	4.8
95.08607	6.2
98.98463	27.6
103.05475	1.7
105.07027	34.7
107.08595	6.7
115.05466	1.8
116.99489	1.4
117.07013	6.1
118.07866	0.7
119.08578	86.3
120.08910	2.8
121.10148	1.9
129.06985	2.7
131.08571	7.5
132.09402	1.3
133.10127	88.5
134.10497	1.4
142.07762	1.8
144.09337	2.0
145.10117	19.3
146.10770	1.6
147.11681	36.2
148.12059	1.4
157.10129	2.6
159.11673	7.5
160.12476	13.8
161.13219	2.5
165.03908	0.7
173.13264	2.0
175.07466	0.9
175.11255	3.5
175.14821	100.0
176.15266	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
57.49687	0.2
57.83516	0.3
60.05647	29.7
64.13228	0.2
64.73974	0.2
68.05033	0.3
70.06590	100.0
71.04996	2.1
71.06925	1.0
72.08159	4.7
87.04505	0.4
88.07611	0.5
97.07651	0.8
98.06078	0.6
112.08730	4.0
113.07162	0.6
114.10319	0.6
115.08704	0.6
116.07089	20.5
117.07506	0.3
130.09756	10.0
132.02142	1.1
141.06627	0.3
157.10835	0.8
158.09250	4.6
175.04428	0.5
175.11902	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	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.1
60.05645	34.1
68.05009	0.2
70.06588	100.0
70.77469	0.3
71.04992	1.7
71.06316	0.2
71.06913	1.4
72.08152	4.3
74.97602	0.2
83.47327	0.1
84.08145	0.4
88.07643	0.5
97.07655	0.5
98.06053	0.6
98.97593	0.6
98.98481	0.3
112.08727	4.1
113.07101	0.3
114.10297	0.8
115.08700	0.6
116.07085	23.0
116.98623	0.7
117.07448	0.3
119.01856	0.2
130.09756	11.9
133.09715	0.2
134.99686	0.2
141.06546	0.2
150.99136	0.3
157.10762	0.8
158.09235	5.7
158.10529	0.3
169.00218	0.3
175.11893	14.8
176.12202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.31793	0.5
51.92768	0.4
55.01843	0.4
55.05513	1.8
56.96557	3.1
57.03432	100.0
57.10006	0.5
58.03765	1.4
59.53788	0.5
60.05644	0.8
62.06577	0.4
65.09175	0.4
66.37359	0.4
67.05496	1.9
67.80016	0.5
69.03423	0.6
69.07067	2.4
69.88767	2.5
70.06590	2.4
76.47060	0.5
79.05505	2.4
81.07061	2.2
91.05478	12.1
91.06017	0.9
91.88239	0.4
93.07053	1.7
95.04994	0.7
95.08597	1.2
97.02920	0.5
98.98460	29.7
105.07025	10.5
107.08581	0.8
115.05447	0.9
116.97214	0.8
116.99518	1.0
117.07016	5.4
119.08571	52.4
120.08914	1.4
128.06169	0.5
129.06993	1.8
131.04884	0.4
131.08543	1.7
133.06471	1.3
133.10121	7.4
142.07750	2.0
145.06473	1.0
146.07269	1.4
147.08031	3.9
147.11687	4.1
148.06395	0.5
151.93956	0.8
157.10088	1.7
160.08734	0.6
160.26166	0.5
175.03825	0.7
175.07645	1.3
175.11168	26.2
175.14737	5.8
176.11584	0.7
189.91693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03935	0.4
53.68270	0.4
54.22502	0.4
55.01868	1.0
55.05509	3.9
56.94309	0.5
60.05642	3.8
65.03930	1.1
67.05504	3.6
69.03429	1.9
69.07068	3.8
69.45123	0.4
70.06590	11.6
70.45651	0.4
70.82569	1.1
72.08132	1.0
72.93787	0.8
77.03924	0.5
79.05485	2.4
81.07051	3.2
83.04958	0.8
83.08640	0.4
90.94810	1.1
91.05478	11.4
93.07052	3.2
95.04949	1.2
95.08624	2.3
98.98462	27.8
103.05461	1.5
105.07025	36.5
106.07357	0.6
107.04945	1.3
107.08581	2.3
109.06516	0.6
112.08701	0.6
115.05451	2.5
116.06290	0.7
116.07076	2.8
116.99496	1.1
117.07018	3.9
119.04932	1.3
119.08580	32.4
120.08109	0.4
120.08899	0.6
121.06496	15.6
121.07375	0.8
128.06187	0.8
129.07007	3.0
130.06578	2.4
130.09734	1.7
131.04887	2.7
131.08543	3.1
132.04434	1.7
132.05649	1.7
132.09410	0.7
132.95851	2.4
133.06490	11.2
133.10124	15.2
134.06947	0.6
135.08049	2.6
141.06929	1.1
142.07779	7.4
145.06482	14.3
145.10139	2.8
146.07259	13.5
146.08415	0.9
146.10948	0.4
147.04416	0.9
147.08041	17.6
147.11681	20.0
148.08533	0.6
148.12025	0.6
150.96924	2.5
157.07619	1.2
157.10097	6.3
157.14163	1.6
158.05992	1.9
158.07135	1.0
158.09294	0.9
159.08040	2.5
160.05235	2.6
160.08838	28.6
161.09190	1.0
173.09634	2.0
173.13226	0.4
175.07835	3.3
175.11169	100.0
175.14732	10.7
176.11571	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.08466	0.6
53.03941	0.9
55.01867	1.5
55.05505	4.7
56.96556	2.6
57.03430	21.2
58.86459	0.7
59.04981	0.8
59.13922	0.7
60.05632	2.3
60.27646	0.6
65.03937	2.1
66.20991	0.6
67.05495	11.1
69.03421	2.1
69.07053	3.9
70.06586	5.7
71.57732	1.2
79.05482	10.8
80.27355	0.6
80.30984	0.7
81.03430	1.0
81.07040	6.8
83.04961	0.8
91.05470	34.3
93.07031	4.0
95.04961	12.8
95.08598	3.6
97.02898	1.1
98.98455	89.8
103.05457	2.6
104.06224	1.1
105.07018	38.1
107.04930	9.2
107.08553	3.7
113.82426	0.7
115.05441	4.5
116.06268	1.1
116.07042	1.5
116.99492	5.0
117.07021	10.3
118.06586	0.8
119.04901	2.3
119.08566	100.0
120.08894	2.4
121.06502	5.5
128.06238	4.1
129.06999	9.1
130.06477	1.2
131.04935	6.8
131.08546	6.3
132.05710	4.8
133.06479	31.7
133.10117	25.2
134.06894	1.1
135.08029	3.7
140.01085	1.1
141.07030	1.5
142.07771	12.4
144.05830	0.8
145.06470	14.7
145.10088	4.6
146.07249	39.2
146.10941	0.8
147.04355	1.8
147.08031	75.5
147.11659	16.9
148.08391	1.5
148.11972	0.9
151.93889	1.0
157.04225	1.0
157.07622	3.0
157.10114	10.2
159.08008	1.5
159.52353	1.1
160.05167	3.0
160.08820	10.3
173.09671	0.9
175.03835	1.3
175.07582	7.2
175.11162	93.1
175.14754	16.2
176.11604	3.8
176.14297	1.4
181.03281	1.1
182.04100	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03918	0.9
55.01878	1.6
55.05509	4.1
56.96563	3.0
57.03434	96.9
58.03761	1.8
60.05637	2.1
65.03934	1.1
67.05505	4.4
69.03435	1.1
69.07073	4.8
70.06590	8.1
70.11892	2.9
79.05479	3.9
81.07047	9.4
83.04954	0.8
83.08614	1.6
91.05473	27.9
92.90021	1.0
93.07030	5.0
95.03437	0.9
95.04971	2.7
95.08599	5.0
98.98461	100.0
103.02384	0.8
103.05455	2.2
105.03424	1.0
105.07030	26.1
107.04932	1.1
107.08563	4.9
109.06516	0.8
110.91115	0.9
115.03952	0.7
115.05428	5.4
116.06295	0.9
116.07084	2.6
116.99508	6.0
117.07021	9.2
119.04923	2.5
119.08572	95.7
120.08886	2.3
121.06482	1.1
121.10190	0.9
128.06221	1.8
129.06992	5.1
130.06523	1.6
131.04921	1.8
131.08536	4.8
132.05695	2.6
133.06458	3.1
133.10124	30.2
136.87369	0.7
140.01035	1.4
142.07784	4.9
144.05661	1.3
145.06482	2.8
145.10101	2.3
146.07306	6.7
147.04413	1.9
147.08041	13.1
147.11668	10.4
151.93976	1.0
157.10110	4.4
160.05234	6.6
160.08838	2.2
160.12454	2.0
173.13194	0.9
175.03848	1.9
175.07533	12.8
175.11171	50.5
175.14793	23.6
176.06981	1.5
176.11496	1.6
176.14284	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	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01861	1.0
55.05515	4.9
56.05836	0.4
56.94282	0.5
56.96567	0.5
60.05646	3.9
65.03941	1.0
67.05505	5.2
68.05828	0.4
69.03417	2.4
69.06789	0.4
69.07068	4.5
69.70571	0.8
69.70985	1.9
70.06591	13.1
70.07391	0.9
72.08136	1.2
72.93776	1.4
74.27197	0.4
79.05482	3.2
80.05814	0.5
81.07053	7.1
83.04974	0.8
83.08606	0.7
85.43525	0.4
90.94816	1.4
91.05476	14.4
93.07027	5.0
95.04949	1.4
95.08604	4.0
97.02879	0.7
98.98463	30.2
103.05454	1.6
104.06223	0.6
105.07026	41.0
106.07327	0.8
107.04963	1.9
107.08596	3.8
108.95864	0.7
109.06505	0.4
109.10148	0.9
115.05437	3.2
115.52532	0.4
116.06290	0.8
116.07064	2.9
116.99466	1.2
117.06996	4.0
119.04954	1.9
119.08577	41.8
120.08868	0.9
121.06496	16.1
121.10138	0.8
127.37225	0.4
128.06227	0.7
129.07005	3.7
130.06497	2.1
130.09723	0.6
131.04942	2.5
131.08545	3.7
132.04445	1.8
132.05737	2.1
132.09068	0.4
132.95821	1.7
133.06488	10.1
133.10121	22.8
134.07115	0.5
134.10416	0.4
135.08011	3.5
141.07011	0.7
142.06773	0.6
142.07788	8.2
144.05615	0.4
145.06480	14.6
145.10094	3.8
146.07259	15.9
146.10936	0.5
147.04475	0.8
147.08047	19.0
147.11682	22.7
148.08510	0.7
148.11986	0.5
150.96854	2.9
157.07616	1.4
157.10107	5.8
157.14168	2.5
158.05988	1.7
158.07156	0.7
158.09171	0.9
159.08047	2.2
160.05205	2.9
160.08829	31.0
160.12466	0.9
161.09174	1.1
173.09589	1.9
173.13185	0.7
175.07698	3.8
175.11171	100.0
175.14774	18.7
176.11497	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02382	0.8
53.03954	1.8
55.01868	2.9
55.05511	3.7
56.42313	0.8
60.05645	5.7
65.03946	2.1
67.05494	5.0
69.03440	3.1
69.07062	6.5
69.51123	5.5
70.06588	18.3
70.44498	0.5
72.08140	1.2
77.03887	0.7
78.04697	4.2
79.05492	9.9
80.33358	0.6
81.03428	0.7
81.07053	15.9
83.08611	1.2
88.06293	0.6
89.03901	1.2
90.94836	0.8
91.05475	67.9
92.05817	1.1
93.07037	12.5
95.04956	3.0
95.08607	13.6
98.21541	1.1
98.98457	39.6
103.05457	7.8
104.06244	19.9
105.03380	2.5
105.04559	0.7
105.07027	33.7
106.07384	0.8
107.04948	10.0
107.08594	6.3
109.10153	2.5
110.80824	0.7
115.05446	53.4
116.06218	3.1
116.07082	4.3
116.99504	1.9
117.07015	28.5
118.07290	0.9
119.04979	3.3
119.08571	85.9
120.08920	1.8
121.06517	1.4
121.10152	0.9
125.41660	0.6
127.05414	0.8
128.06212	22.5
129.07011	16.3
130.06508	1.2
130.09734	1.8
131.04906	9.1
131.08536	6.0
132.05702	64.8
132.95872	0.9
133.06396	1.9
133.10121	36.8
135.04430	0.6
135.07939	0.8
142.04156	0.7
142.07788	2.0
143.04953	5.4
144.05701	6.3
145.06474	9.1
145.07510	1.0
145.10115	3.0
146.07178	1.8
146.10902	0.8
147.04364	1.8
147.08038	44.0
147.11685	13.1
148.08528	1.3
150.96945	0.9
155.06027	3.2
157.06467	0.9
157.07593	1.7
157.10068	3.3
158.09254	1.6
160.05183	78.2
160.08731	1.3
160.12479	1.4
161.05565	3.8
173.13275	1.1
175.07532	100.0
175.11205	7.1
175.14809	40.4
176.07971	3.4
176.14194	0.9
182.81326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01869	1.1
55.05510	3.2
60.05648	5.8
65.03938	1.5
67.05499	1.8
69.03401	0.6
69.07072	6.1
69.34602	6.4
70.06593	18.2
72.08153	1.0
78.04703	0.8
79.05494	3.0
81.07049	6.5
83.08627	1.0
91.05479	20.8
93.07036	3.2
95.04954	1.4
95.08611	4.0
95.45331	0.5
96.08090	0.6
97.02892	0.6
98.98461	37.8
103.05473	2.4
104.06255	3.8
105.03398	1.7
105.07024	17.0
107.04980	1.2
107.08594	2.7
115.05452	58.5
116.06232	3.7
116.07109	3.8
116.99506	1.9
117.07017	14.4
119.04907	2.8
119.08578	40.6
128.06206	4.5
129.07016	8.7
130.06505	1.5
130.09775	1.2
131.04913	5.4
131.08575	3.3
132.04523	0.7
132.05708	15.2
133.06505	0.7
133.10123	28.2
142.04131	1.0
142.07768	2.1
143.04932	9.5
144.05696	13.8
145.06500	3.2
145.10098	2.7
146.03642	0.7
146.07220	1.0
147.04424	2.6
147.08031	10.6
147.11681	8.3
148.08490	0.7
155.06071	1.4
157.10109	2.4
158.05994	1.2
159.04456	1.0
160.05190	90.0
160.12497	0.9
161.05598	3.7
175.07538	100.0
175.11209	5.8
175.14812	24.2
176.07846	2.0
176.14317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03942	0.6
55.01869	0.4
55.05508	9.4
55.16772	0.2
56.05016	0.3
56.96566	1.2
57.03423	0.5
57.07082	0.4
59.04997	1.7
60.04524	0.8
62.54595	0.3
65.03956	0.8
67.05508	1.9
69.03435	0.5
69.07059	0.5
70.02965	0.3
70.06610	0.4
71.04974	0.2
71.56284	0.5
72.93783	2.8
76.02220	0.4
79.05485	2.0
81.07056	3.6
83.04977	7.7
86.09706	0.9
87.04469	0.6
87.05602	0.6
88.96955	0.3
89.02392	0.5
90.94816	1.9
91.03557	0.2
91.05478	13.5
93.07043	1.1
95.08610	0.4
99.04453	0.5
101.05389	0.4
101.06022	6.0
103.03307	0.7
103.05461	0.6
105.07027	12.0
107.08591	0.5
108.95882	1.0
111.04440	6.9
111.09172	0.5
113.06001	0.6
115.05443	2.7
116.06243	3.1
117.07027	5.1
118.06578	0.4
119.08579	8.9
120.08947	0.3
127.07515	0.9
128.06187	1.5
128.07022	0.3
128.10751	0.7
129.05513	3.7
129.06998	9.6
130.07802	2.4
131.08563	100.0
131.97449	0.5
132.08875	3.0
132.95857	0.3
133.06473	0.3
133.10117	1.6
142.07756	1.1
143.08556	15.6
144.05661	0.3
144.09354	5.7
145.06467	1.2
145.10117	20.5
146.05998	0.6
146.10455	0.5
149.01221	0.4
149.96097	0.7
150.96844	1.6
155.05907	0.5
155.07036	4.4
156.09312	1.7
157.10075	0.6
158.10904	20.4
159.11261	0.7
167.97145	0.6
171.11661	2.0
173.05887	0.7
173.08203	5.3
173.13255	53.0
174.05440	0.4
174.13628	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	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01879	0.6
55.05507	16.6
56.96547	0.8
57.03442	0.9
57.07069	1.2
59.04993	3.1
60.04506	0.6
61.06609	0.5
65.03941	1.0
67.05507	3.1
69.03426	1.1
69.07078	1.2
70.73399	1.7
71.04971	0.7
72.08160	0.7
72.93782	5.2
77.03927	0.5
79.05494	2.7
81.07047	5.3
83.04983	14.1
85.06528	0.9
86.09711	0.8
87.04487	0.7
89.02404	0.7
90.94807	3.6
91.04897	0.8
91.05476	17.2
93.07035	1.9
95.04947	0.7
95.08626	0.8
95.63786	0.5
99.04462	0.9
101.06014	10.4
103.03315	0.9
103.05505	1.0
105.07026	15.7
108.95847	1.1
111.04446	12.1
113.05991	1.8
115.05428	3.3
116.06241	3.9
117.07024	8.0
119.08578	15.6
123.61871	0.5
127.07539	2.1
128.06248	2.7
128.07043	0.7
129.05511	7.3
129.06995	13.8
130.07794	4.0
131.08562	100.0
132.08904	2.4
132.95816	0.9
133.06470	0.5
133.10127	2.0
141.06938	0.7
142.07813	1.5
143.08557	25.6
144.09354	9.4
145.06467	1.7
145.10118	33.8
146.06018	2.8
146.10526	0.7
149.63567	0.5
149.72647	0.5
149.96121	1.1
150.96878	2.1
155.07028	8.0
156.09363	2.0
157.10112	1.3
158.10910	32.3
159.08035	0.9
159.11252	1.0
167.97169	1.6
171.11681	2.6
173.05934	0.7
173.08160	10.5
173.13257	78.9
174.05466	0.8
174.13597	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03935	1.0
55.05507	9.8
57.03428	0.8
57.07067	0.6
59.04993	1.7
59.61990	0.4
65.03912	0.8
65.48143	0.4
66.39584	0.6
67.05489	2.6
69.03426	0.8
70.68178	1.5
71.04984	0.5
71.08622	0.7
72.93749	1.1
73.31455	0.4
76.02208	0.6
77.40125	0.4
77.56236	0.4
79.05482	2.0
81.07044	3.2
83.04977	9.3
84.04498	1.1
85.02915	0.6
85.43808	0.5
87.04469	1.0
89.07991	0.5
90.90369	0.6
90.94805	1.4
91.05477	15.6
93.07043	1.0
95.04957	0.6
97.85635	0.4
99.04477	0.7
101.06008	6.8
103.03294	0.9
103.05441	1.3
105.07022	12.8
111.04429	7.8
111.05194	0.5
113.05990	1.1
113.96471	0.5
115.05419	3.3
116.06229	3.9
117.07022	8.8
118.06543	0.5
119.08572	17.2
126.05472	0.5
127.07543	1.4
128.06203	3.1
129.05516	5.0
129.06984	13.8
130.06912	0.6
130.07782	4.5
131.08556	96.0
132.08890	2.2
133.10127	3.4
142.07755	1.6
143.08549	34.9
144.09343	10.7
145.06493	0.9
145.10109	30.1
146.05984	0.8
146.10503	0.8
149.94016	0.9
150.96834	0.6
155.07008	4.0
155.08499	1.4
156.09329	2.3
157.10085	1.4
158.07271	1.8
158.10896	47.4
159.11594	2.8
171.11682	2.1
173.08167	7.8
173.09639	4.5
173.13246	100.0
174.13681	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.30335	0.4
50.45894	0.3
53.03944	0.5
55.05508	12.2
55.43844	0.4
57.03431	0.6
57.07077	1.7
59.04997	1.7
62.89997	0.4
67.05504	4.0
69.03417	0.5
69.07079	0.5
69.71274	0.6
69.71679	2.5
71.06123	0.4
72.93792	0.5
76.02229	0.7
77.51323	0.3
79.05490	4.4
81.07053	3.6
82.15353	0.4
83.04980	11.7
83.05464	0.9
85.06603	0.5
87.04477	0.8
89.02388	0.8
91.05479	19.5
93.07059	3.9
95.04964	0.7
95.08591	2.3
96.04474	0.6
98.98454	0.5
101.06011	6.6
103.03281	1.7
103.05447	0.5
105.07026	12.4
107.08607	0.9
111.04437	7.2
113.06007	1.3
114.05591	0.4
115.05447	3.3
116.06253	2.4
117.07015	16.5
117.07854	0.8
118.06582	0.7
119.08570	6.4
123.16087	0.4
127.07496	0.5
128.06215	1.6
129.05505	6.0
129.06998	6.9
130.07797	3.4
131.08565	100.0
132.08818	3.2
133.10135	0.7
143.08556	5.5
144.09351	3.4
145.06491	0.6
145.10124	20.9
146.06044	0.5
146.10443	1.0
155.07040	6.6
155.08316	0.8
158.07370	0.9
158.10941	4.8
158.31764	0.4
171.11671	1.2
173.08244	7.5
173.09752	1.6
173.13258	59.7
174.05463	0.5
174.13809	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	171.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76214	10.3
56.96560	41.5
70.33285	41.1
71.73798	10.0
97.99154	12.3
116.00187	20.3
119.02008	10.2
124.02007	11.1
128.00188	40.6
131.99002	12.1
134.01218	26.6
137.20203	10.9
145.02884	16.1
146.01233	100.0
151.54538	10.6
163.03909	22.9
164.02345	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05508	2.2
56.05028	6.3
56.96561	100.0
58.06595	2.7
60.05643	1.1
68.05026	2.6
69.03439	0.5
70.02971	0.7
70.06592	6.7
71.42471	1.0
71.95265	3.3
72.04520	2.3
72.08157	1.4
72.96043	1.8
74.02450	1.2
74.06081	1.3
74.97591	2.5
77.00897	0.9
81.04558	0.8
82.02947	2.2
82.06583	0.7
83.04978	1.8
83.06098	1.3
83.97631	1.1
84.04520	1.9
84.08139	1.0
84.96043	1.1
85.07668	0.7
85.99203	1.9
86.06076	0.7
97.52127	0.8
97.96807	1.1
97.99182	1.6
98.06066	0.5
98.97572	16.6
98.98191	0.9
99.05593	1.2
100.02493	0.8
100.03950	3.0
101.00861	1.1
101.06037	2.2
102.05559	1.4
103.02897	4.0
103.52122	0.8
104.00240	1.2
104.01945	0.7
106.53821	0.6
107.03116	0.6
107.54771	0.6
108.03915	1.1
109.02830	0.6
109.99171	0.8
110.97561	3.0
111.04454	1.6
111.09208	0.6
112.03371	0.7
113.06042	0.6
113.07133	2.2
114.05527	1.9
115.54491	1.3
116.00204	2.9
116.03690	1.8
116.98605	30.3
117.04462	1.5
118.03484	5.9
119.00121	0.6
119.01908	9.5
119.02702	0.7
120.02002	3.4
120.26682	0.6
120.53675	2.0
121.01630	2.6
121.02953	0.9
121.54451	7.2
122.03655	2.7
122.04604	1.4
125.01085	0.6
125.98647	0.7
126.06654	1.0
127.05070	1.1
128.00188	3.6
128.03442	2.9
128.98586	10.2
129.00566	0.8
129.05464	1.6
129.54167	8.1
130.03418	3.6
130.54976	2.8
131.00183	0.7
131.01915	1.5
131.04169	1.2
132.03320	0.7
132.05098	1.1
132.99924	0.8
133.03484	1.3
133.05257	0.8
134.01202	2.7
134.99648	58.3
135.54204	0.9
136.03488	1.5
136.04562	3.3
137.02940	5.0
138.03062	1.1
138.54692	20.3
139.02751	1.4
139.03940	2.4
139.04910	1.6
139.55496	1.2
140.00247	1.8
141.03392	0.6
141.04970	2.1
142.01804	1.4
142.03488	1.0
143.99641	2.9
144.03351	1.0
144.05112	1.5
144.54657	4.1
145.03874	1.8
145.04926	1.0
145.54036	0.6
146.01245	9.0
146.99641	46.5
147.01596	3.9
147.04968	0.9
147.06119	0.8
147.99083	4.0
148.01611	1.2
148.04533	1.0
149.01176	3.3
150.00781	0.6
150.05545	2.0
150.49565	0.6
152.00082	0.7
152.02284	0.6
153.00697	17.3
153.55231	0.7
154.03474	1.0
155.04541	2.0
155.07043	1.3
156.05486	1.2
157.55444	0.7
158.01228	6.7
158.02231	0.5
160.02859	0.7
161.02937	0.9
162.00734	9.7
162.99194	1.6
163.01141	0.6
163.03989	0.8
164.02264	3.9
165.00711	17.2
165.02771	1.1
166.00223	3.7
166.09784	0.6
168.26630	0.6
168.50615	1.0
169.02907	0.9
169.06506	0.7
170.01222	2.8
171.04469	0.7
172.02829	1.5
172.04626	0.8
172.07260	2.6
172.95241	2.6
173.04211	1.0
173.05573	0.7
173.08125	1.2
175.03964	0.6
176.02251	2.9
177.00940	0.7
180.01738	3.8
182.03384	1.2
183.04468	1.1
185.02443	0.6
187.03957	1.5
188.02374	1.2
189.02246	0.6
190.00301	1.1
190.04045	1.0
190.05722	0.7
190.96312	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03952	3.9
55.01860	5.3
55.05517	8.1
56.05020	3.1
56.96555	6.6
57.03438	2.9
57.07076	11.5
59.04971	3.2
59.06091	3.3
65.03932	8.3
67.05182	2.1
67.05506	32.2
68.05019	3.7
68.99767	4.9
69.03413	4.7
69.07064	11.0
70.06580	4.0
71.04974	7.8
71.56345	3.6
72.04488	1.8
72.08154	3.9
79.05482	7.9
81.03416	13.4
81.07053	21.3
82.06573	2.8
83.04948	3.3
83.06124	2.6
83.08635	8.8
84.04500	2.0
84.08146	3.0
85.02869	4.0
85.06516	4.0
91.05470	5.9
92.04994	3.0
93.03455	1.9
93.05750	2.4
93.07037	9.7
95.04958	8.2
95.06882	1.7
95.08607	10.7
96.08121	5.2
97.02865	2.5
97.06513	2.4
97.07636	1.9
98.07139	1.7
99.04435	3.9
105.07025	4.9
107.08599	6.8
109.02882	20.8
109.06528	10.6
109.07636	3.4
109.10156	88.6
110.06034	6.6
110.07159	4.5
111.00809	16.9
111.04475	8.7
111.05581	2.9
111.08080	100.0
111.09196	9.7
111.95359	1.7
112.08406	4.1
113.05999	2.3
115.05452	2.8
119.01923	3.6
123.04399	7.5
123.08069	8.5
123.11685	3.8
124.07581	4.6
125.04893	1.7
125.05962	2.6
126.03140	21.4
126.05605	1.7
127.03925	2.8
127.11194	78.3
128.07071	2.1
128.11501	3.0
133.10118	2.5
134.06029	1.9
141.05457	48.5
141.06909	10.3
146.96227	2.6
151.03920	4.1
151.07559	2.8
151.11142	4.5
152.07086	4.1
152.08202	2.6
153.01805	1.9
154.07826	3.7
155.08594	2.0
163.97713	1.7
169.05034	15.3
169.06372	3.4
169.07565	6.2
169.10016	5.7
169.12238	7.9
170.04425	1.8
170.05788	3.7
170.08124	4.6
170.09645	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	169.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12727	0.8
55.05507	2.1
56.20298	1.0
56.96297	1.1
56.96563	17.6
57.03416	1.0
57.07077	1.9
58.89667	0.9
58.99850	1.3
59.06119	1.6
65.03939	1.5
67.05509	2.0
67.92509	4.6
68.05028	2.3
69.04550	5.2
69.07053	0.9
69.92541	1.8
70.06590	2.5
71.55859	1.5
72.08142	1.5
77.00897	2.0
79.05486	1.4
81.03407	3.5
81.07060	2.4
82.06583	1.6
82.94838	6.8
83.06103	1.7
83.95178	1.7
84.08138	1.5
84.94864	2.6
85.93484	0.8
86.00919	3.4
95.01917	1.1
95.04974	1.0
95.08578	1.3
98.97598	3.7
100.02473	5.5
100.95890	1.4
101.00855	8.7
102.04047	3.7
103.02448	8.3
104.01958	14.4
104.52966	1.2
105.00381	2.0
105.02113	1.1
109.02877	4.7
109.06491	1.1
109.07643	2.7
110.07273	0.9
111.00806	2.4
111.03782	1.3
111.04465	2.8
111.09213	6.0
115.02304	0.9
116.98629	5.7
118.03500	8.0
119.01917	100.0
120.01980	5.5
120.03251	1.3
120.05082	2.0
121.01645	5.9
121.03481	5.7
122.02057	2.5
122.03004	13.8
123.01362	1.3
123.02110	11.1
123.02921	1.7
123.08041	1.1
123.09099	1.1
123.97468	1.1
124.02422	1.0
124.97816	1.8
125.06046	1.2
125.97520	1.2
126.03130	3.4
126.03969	1.0
126.93716	1.2
127.02577	1.2
127.03479	4.5
128.01895	9.5
129.04057	1.1
129.65025	0.9
131.01900	2.8
132.05058	1.8
133.01660	2.7
133.03453	3.5
134.99640	8.4
136.04561	4.1
137.02950	64.7
138.03104	4.5
138.04076	0.9
139.02715	3.9
140.03032	2.1
141.03102	7.3
141.05472	10.5
141.06485	1.3
141.06897	0.9
142.03491	15.9
143.03635	1.2
144.03307	1.5
144.05055	20.9
145.03464	17.3
145.04597	17.4
146.02919	56.3
146.06657	2.0
146.99600	1.2
147.01427	5.5
147.03146	3.8
147.05054	3.7
149.02962	1.3
150.06078	1.3
153.00728	2.3
153.51326	2.2
156.01537	1.0
159.03122	1.1
159.05077	1.2
160.04590	6.3
161.06674	1.4
162.04376	1.1
162.06120	5.6
162.95821	2.4
163.04501	5.1
163.05692	1.1
163.96248	2.0
164.02112	1.1
164.02565	1.2
164.03947	15.4
164.07741	1.9
164.95935	1.6
165.02332	2.3
165.06158	2.3
169.01743	1.0
169.03339	2.4
169.04610	14.4
169.07191	2.6
169.08528	2.0
169.09798	1.8
170.02985	2.1
170.04961	1.3
170.06628	1.7
170.09456	1.1
171.01411	2.2
171.04974	1.0
175.08112	1.0
177.00975	1.4
186.99152	3.5
187.02776	4.2
187.05705	15.6
187.07990	6.1
188.04118	1.2
188.07718	2.1
189.02473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1382
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03929	3.1
55.01851	2.7
55.05265	1.1
55.05510	17.3
56.05029	5.1
56.96563	4.2
57.03438	6.9
57.07072	2.4
58.06594	2.0
59.06114	2.0
65.03941	5.0
66.57048	0.8
67.05499	36.9
67.81658	0.8
67.92500	0.8
68.05030	4.0
68.05814	1.3
68.99769	1.1
69.03442	4.6
69.07065	9.0
69.23462	0.9
70.02924	1.5
70.06586	98.4
71.04975	3.2
71.06905	1.9
71.56385	1.0
72.08147	2.6
73.02916	1.1
79.05482	25.9
80.05002	3.4
80.05798	1.5
81.03416	6.9
81.04523	1.6
81.07049	100.0
82.02933	1.0
82.05309	1.4
82.06587	5.1
82.07376	3.1
82.94858	0.8
83.04982	7.3
83.06108	4.4
84.04489	2.7
84.08132	4.8
85.02887	2.8
85.04002	1.3
85.06548	1.4
85.07666	2.1
86.06045	2.5
91.05474	96.0
92.05806	2.4
93.07035	11.3
94.06550	5.8
94.07358	1.9
95.04967	14.0
95.06084	3.7
95.08601	10.2
96.04501	1.9
96.05228	2.0
96.08115	2.1
97.02856	1.5
97.06515	3.8
97.07645	5.4
98.03678	1.2
98.06037	2.5
98.07190	1.3
99.04436	1.3
99.05531	1.1
105.07017	15.2
106.06580	1.2
106.07346	1.5
107.08589	12.6
108.04453	4.0
108.08110	3.0
108.08917	2.3
109.02868	10.9
109.06510	24.6
109.07630	11.7
109.10160	4.0
110.06034	2.3
110.06868	4.1
110.07903	1.3
111.00777	6.6
111.04445	5.1
111.05587	2.0
111.08086	1.6
111.09238	8.7
112.07591	2.3
113.06030	0.9
113.07143	1.3
121.10140	2.0
122.02321	1.0
122.06015	4.4
122.07062	1.1
122.09666	7.8
122.10445	1.1
123.04415	4.1
123.05525	1.5
123.08096	4.7
123.09167	2.8
123.11695	12.5
124.03951	1.8
124.04739	1.2
124.07591	1.9
124.08595	1.8
125.06002	1.8
125.07103	2.4
126.03123	10.2
126.05501	4.3
126.06471	1.6
126.09205	0.9
126.10233	2.1
127.03921	2.2
127.05032	1.0
127.08725	1.0
131.26202	0.9
133.10120	7.6
138.06671	1.1
138.10207	1.1
139.11150	2.3
140.03362	1.4
140.07045	2.7
140.10591	1.0
141.05452	23.3
141.06580	0.8
141.10191	1.1
150.05554	4.5
150.06520	0.9
150.09123	3.3
150.10199	1.7
150.12744	7.7
151.03868	3.5
151.04970	1.0
151.07526	1.8
151.08646	2.5
151.11185	20.8
152.07059	0.9
152.11681	0.9
154.02570	1.2
154.07744	1.6
162.96959	1.4
163.97722	1.0
168.02911	1.3
168.06514	4.2
168.07758	4.3
168.10138	2.5
168.11307	7.6
168.13829	91.6
169.04932	7.1
169.07532	2.4
169.08685	1.9
169.09784	1.3
169.14240	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02365	1.0
52.80802	0.7
53.03940	4.2
55.01863	8.4
55.05502	7.3
57.03420	2.3
59.06103	1.0
65.03925	2.0
66.04708	0.9
67.05498	11.6
68.05013	1.5
69.03427	9.5
69.07064	2.0
70.06564	1.5
71.04976	1.2
71.33535	0.8
71.33865	1.2
72.08128	0.8
72.24429	0.7
76.16619	0.6
78.04702	3.2
79.05488	52.2
80.05832	1.0
81.03401	2.1
81.07049	16.8
82.06582	1.1
83.04974	3.6
83.06094	0.8
83.08606	0.7
85.02911	1.0
87.83672	0.8
91.05472	45.4
92.05791	1.1
93.07035	81.1
94.07363	1.6
95.04955	11.9
95.08590	4.0
96.04505	0.9
97.06522	3.1
103.05461	3.5
105.04554	1.3
105.07021	44.1
106.04181	1.6
106.07875	1.6
107.04953	8.2
107.08584	100.0
108.05713	0.7
108.06898	0.7
108.08194	0.8
108.08926	2.8
109.02892	0.9
109.06511	33.6
109.07654	2.5
109.10145	10.6
110.07018	0.9
110.08414	1.3
111.04459	1.8
111.08057	2.3
111.09205	2.0
115.05482	1.3
116.06193	4.7
117.07004	1.1
119.06065	1.5
119.07709	0.9
119.08558	12.3
121.06486	17.1
121.08440	2.2
121.10133	49.4
122.07267	12.8
122.10469	1.5
123.04405	5.6
123.08064	8.4
123.11734	0.8
124.05183	1.7
125.05999	1.8
125.09621	2.5
126.06567	0.8
129.07001	2.8
131.08551	30.1
132.08891	1.3
133.06546	1.0
133.07544	1.7
134.07234	1.0
137.09605	49.8
138.09964	1.4
139.07486	1.2
139.11179	0.9
147.08057	1.1
147.09138	1.2
148.83026	0.7
149.02359	1.4
149.09604	47.6
150.10147	3.1
151.03879	1.6
152.04675	1.1
164.37686	0.9
167.03372	1.1
167.07019	13.2
167.10667	17.0
167.11900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.24208	0.4
51.02375	1.2
52.31957	0.5
53.03941	4.0
54.03467	0.6
55.01868	6.3
55.05509	6.6
55.31877	0.5
56.05023	1.6
56.96540	0.6
57.03428	1.6
59.04997	1.1
59.06123	1.2
65.03931	3.0
66.04780	0.6
67.05502	11.3
68.05022	1.3
69.03425	14.4
69.07063	2.6
70.06570	0.6
71.01321	0.7
71.04980	1.8
71.56200	0.8
72.08157	0.9
77.03902	0.9
78.04716	3.5
79.05489	42.5
80.05846	0.8
81.03429	1.4
81.04517	0.7
81.07050	30.1
82.06564	1.7
83.04979	3.0
83.06107	0.9
91.05476	56.5
92.05779	1.0
92.06298	0.5
93.07039	100.0
94.06584	0.9
94.07365	2.6
95.04964	11.5
95.08592	4.7
97.02955	0.6
97.06529	3.2
97.07644	0.7
98.07182	0.7
103.05455	4.8
105.04538	1.5
105.07026	37.3
106.04190	0.7
106.07813	1.7
107.04285	0.9
107.04948	9.5
107.08588	92.5
108.04475	0.6
108.05732	1.0
108.08232	0.6
108.08928	2.2
109.02868	0.9
109.06510	67.2
109.07684	2.9
109.10146	17.3
110.06093	0.6
110.06881	1.1
110.08407	1.4
111.04427	3.3
111.08084	1.3
111.09193	1.6
111.64297	0.5
115.05453	1.8
116.06223	5.9
117.07011	0.7
119.06053	1.6
119.08569	15.2
121.01641	1.3
121.02888	0.9
121.06499	22.1
121.08295	2.3
121.10136	68.4
122.05995	0.9
122.07279	18.1
122.10494	1.6
123.04424	6.0
123.08077	9.3
123.08997	0.8
123.11704	1.3
124.05222	2.5
124.08705	0.9
125.02405	0.8
125.05980	1.8
125.09627	4.1
126.06602	0.7
128.02930	0.5
129.06996	3.5
131.08560	25.4
132.08891	0.6
133.07620	1.5
134.07274	2.1
135.04434	0.7
135.08049	1.0
137.09608	82.5
138.09952	2.7
139.02678	0.9
139.03893	0.8
139.07506	1.2
139.11142	1.5
147.08133	0.8
147.09146	2.2
149.02299	1.3
149.05965	1.6
149.09612	25.6
150.05460	1.0
150.10191	2.9
151.03911	2.2
152.04669	1.8
162.04329	0.6
167.03392	1.3
167.07034	19.5
167.09314	0.7
167.10667	13.7
167.12880	1.1
167.14200	0.6
168.06488	0.8
168.13808	0.7
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
53.03948	4.4
55.01878	6.2
55.05513	5.5
57.03434	0.8
65.03927	2.1
67.05502	10.0
69.03075	1.2
69.03430	15.0
69.07064	1.2
77.03906	1.1
78.04698	1.6
78.87880	0.6
79.05492	41.2
81.03410	0.8
81.07056	22.9
83.04975	2.3
83.08608	1.2
91.05479	52.4
92.05799	1.5
93.07041	100.0
94.07324	1.4
95.04974	10.9
95.08617	4.3
97.06561	1.3
103.05465	5.2
105.04517	0.9
105.07029	33.6
106.04150	0.7
106.07803	2.2
107.04959	9.2
107.08593	94.8
108.08931	2.2
109.06519	54.3
109.10152	16.2
110.06839	1.3
110.08418	0.7
111.04445	1.8
111.08070	1.8
115.05487	1.9
116.06255	7.6
117.07024	1.1
119.06043	1.5
119.08572	15.5
121.06507	19.8
121.10140	64.6
122.07285	17.8
122.10490	1.4
123.04436	2.6
123.08074	9.5
124.05252	0.9
125.06014	0.8
125.08852	0.7
125.09665	3.1
129.07011	3.8
131.08569	24.4
132.08951	0.9
133.06488	0.7
133.07574	1.8
134.07230	1.3
135.08022	1.3
137.09616	87.3
138.09972	2.7
139.11183	0.8
144.42133	0.7
147.08046	1.5
147.09166	3.2
149.02399	0.8
149.09619	25.2
150.05461	0.7
150.10205	1.3
152.04684	0.9
167.07024	6.3
167.10667	12.7
188.72871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02384	0.5
53.03938	2.9
55.01876	2.6
55.05510	13.8
56.96560	1.1
57.03438	0.5
57.07065	2.7
59.05000	3.1
65.03936	0.9
66.04699	0.7
67.05499	9.1
69.03420	3.8
69.07063	46.2
70.07388	0.6
70.25542	1.8
71.05000	0.6
77.03930	0.5
78.04698	6.6
79.05486	25.0
81.03397	1.0
81.07047	13.8
82.91512	0.5
83.04987	3.3
83.08600	3.1
84.96046	1.3
85.06550	0.5
91.05472	17.8
92.70451	0.4
93.03409	0.4
93.07036	84.9
94.04176	0.5
94.06544	0.6
94.07383	2.4
95.04957	8.0
95.08598	14.2
95.91323	0.4
96.05746	0.5
97.02901	0.8
97.05912	0.6
97.06524	10.1
97.10168	1.1
98.06019	0.6
99.94242	0.5
100.11214	0.9
103.05475	3.2
105.03368	0.7
105.04513	1.5
105.07021	27.0
106.04163	2.0
106.07815	1.9
107.04952	2.9
107.08579	5.2
108.04456	0.5
109.02865	1.7
109.06519	2.6
109.07589	0.5
109.10148	1.7
111.04433	1.6
111.08086	1.5
111.11699	6.9
119.08572	5.6
121.01678	3.2
121.02845	1.4
121.06546	2.6
121.10133	100.0
122.03625	0.8
122.06001	1.0
122.07119	0.4
122.10455	2.6
123.04432	10.4
123.05335	0.9
123.08057	8.5
123.11707	1.2
124.05195	3.7
125.05987	1.1
125.08239	0.7
125.09645	0.9
126.05571	0.4
131.08569	0.7
133.07608	2.0
135.04468	0.5
137.05963	1.2
138.06744	0.8
138.25371	0.4
139.02684	1.8
139.03798	0.7
139.07529	0.9
139.11177	2.9
144.03249	1.7
149.02328	1.3
149.09608	13.6
149.13235	0.5
150.05428	0.8
151.03880	1.9
152.04698	2.1
162.04297	1.2
167.03368	1.8
167.07031	28.6
167.08311	1.1
167.10657	26.1
167.14314	1.2
168.11069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	2.8
55.01870	12.2
55.05511	7.1
56.02219	0.5
56.05030	2.3
56.96560	3.5
57.03432	1.7
57.07089	0.6
59.04988	0.9
59.06118	1.8
65.03934	3.1
67.02989	0.5
67.05499	14.0
68.02632	0.5
68.05022	2.5
69.03431	4.0
69.04533	0.5
69.07064	4.2
70.02955	0.6
70.06591	3.1
71.01345	1.4
71.04983	2.3
71.56525	0.5
71.56915	0.6
71.95266	1.2
72.08152	1.6
78.04707	5.9
79.05489	68.0
80.05013	1.1
80.05822	1.3
81.03407	2.3
81.04542	1.5
81.07056	8.9
82.06570	3.3
83.01360	0.6
83.04976	5.6
83.06112	2.9
83.08640	0.7
84.04518	0.5
84.08167	1.4
85.02900	0.9
85.04019	0.5
85.06529	0.7
85.07668	1.2
89.78271	0.5
91.05476	35.6
92.05791	0.7
93.03413	1.1
93.07039	53.3
94.06576	2.1
94.07365	1.3
95.04964	12.3
95.06092	1.8
95.08604	4.7
96.04485	0.7
96.05687	0.5
96.08112	0.6
97.06531	8.7
97.07652	1.9
98.06063	1.0
98.07191	1.1
99.05557	0.9
102.94782	0.6
103.05496	2.5
105.04517	0.9
105.07025	52.7
106.04176	1.5
106.07307	1.2
107.04951	7.3
107.08588	100.0
108.04494	1.3
108.05638	0.8
108.08932	2.3
109.02874	1.5
109.06510	14.3
109.07624	7.4
109.10160	2.2
110.03609	0.6
110.06018	0.7
110.07188	2.4
110.08423	3.8
111.04458	3.0
111.05524	0.6
111.08086	2.7
111.09208	3.6
116.06225	2.8
119.04916	0.5
119.06068	1.1
119.08562	5.4
120.08065	1.3
121.01659	2.3
121.02877	2.1
121.06500	13.9
121.07629	1.0
121.08424	6.1
121.10139	35.1
122.03589	0.5
122.06045	1.5
122.07178	3.2
122.09705	0.9
122.10466	0.9
123.04433	10.2
123.08072	5.4
123.09133	1.1
123.11729	0.7
124.05238	3.8
124.08727	1.8
125.06035	3.1
125.07031	0.9
125.08218	1.4
125.09659	2.3
126.05530	0.7
126.06648	0.9
127.07432	1.2
129.07001	2.0
131.08565	35.7
132.08902	1.2
133.06509	1.4
133.07545	0.8
134.03644	0.5
134.07266	1.0
135.04425	1.1
135.07986	0.7
137.05983	0.7
137.09615	14.8
139.02766	1.2
139.03899	2.1
139.07530	2.2
139.11151	1.0
140.03439	0.9
140.08041	0.6
144.03181	1.4
144.95851	0.6
149.02336	3.1
149.05981	1.9
149.09615	68.0
150.00243	0.5
150.05478	1.8
150.06569	0.8
150.09084	0.6
150.10223	6.8
151.03883	1.9
151.07503	0.5
152.04710	1.9
155.55493	0.5
167.03429	2.8
167.07028	26.5
167.09305	1.4
167.10655	22.9
167.12851	2.3
167.14365	1.4
168.06544	1.5
168.11340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.49674	0.4
53.00288	0.4
53.03942	2.3
55.01868	1.5
55.05518	2.2
56.96567	3.0
57.03431	0.4
57.07055	0.5
65.03927	2.2
66.04715	8.5
66.05067	0.5
67.05504	3.2
68.99781	0.6
69.03426	1.8
69.07063	3.2
71.04961	0.8
71.09660	1.1
78.04695	2.1
79.05484	16.3
81.03408	0.8
81.04525	0.5
81.07051	6.3
83.04973	2.1
83.08615	1.7
84.96020	1.1
85.02892	1.4
85.06534	0.5
91.05469	5.9
93.03375	0.5
93.07034	4.6
94.04179	27.5
95.04474	0.6
95.04981	4.5
95.08588	1.7
97.02866	0.7
97.06516	1.8
105.03384	0.7
105.04520	0.6
105.07031	1.0
106.04151	0.6
107.04948	8.1
107.08587	3.7
109.02875	1.0
109.06512	3.8
109.10150	1.5
111.04436	1.4
111.08056	1.5
119.60806	0.4
121.01668	3.5
121.02888	0.5
121.06488	1.2
121.08399	0.5
121.10136	3.6
122.03639	50.4
123.04491	3.5
123.08086	0.5
123.11694	1.1
124.05236	2.4
125.05949	1.8
125.09591	0.7
135.04390	1.4
137.05963	100.0
138.06303	3.7
139.02745	2.3
139.03749	0.6
139.07530	3.2
142.96609	0.4
144.03238	1.7
149.02356	1.7
149.06010	0.7
149.09637	0.9
149.13234	1.4
150.05524	0.9
152.04654	1.5
153.05438	0.7
155.07013	1.7
162.04312	0.9
165.06633	2.0
167.03351	1.5
167.07025	59.8
167.10666	2.8
167.14259	2.1
168.07420	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	166.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01862	1.4
55.05502	9.7
55.95279	0.7
56.05034	3.8
56.96558	8.1
57.03416	2.2
62.98262	0.7
65.03927	1.8
66.95027	0.8
67.05499	7.4
68.05012	4.6
69.03423	42.2
69.07061	4.3
70.06588	24.6
71.04978	1.1
71.58011	1.3
78.04701	3.9
79.05064	1.2
79.05490	15.3
80.05006	3.8
81.07048	59.5
82.06564	2.2
82.07365	2.5
83.04940	1.6
83.08592	1.5
83.93024	2.7
84.04494	2.8
84.08125	3.5
84.96010	1.6
86.06060	43.5
91.05458	3.2
92.05801	0.9
93.07037	6.9
94.06543	3.6
94.07343	1.5
95.04972	5.2
95.08583	2.5
96.04478	1.6
96.05290	3.1
96.08119	31.7
97.02802	0.8
97.06502	2.2
98.06046	100.0
98.09647	1.9
99.06376	2.7
102.02238	1.0
103.05455	1.3
105.03377	2.1
105.07034	1.7
106.04174	2.0
107.04919	1.7
107.08575	2.9
108.04441	1.3
108.08088	0.9
108.08942	0.8
109.06521	2.5
110.06020	3.6
110.06820	0.7
110.09671	1.0
111.04438	1.7
111.08054	1.5
112.07596	23.6
113.54857	0.8
115.96468	1.8
116.97211	2.8
119.01913	3.8
119.95087	1.9
120.01987	10.1
120.03278	1.0
120.05230	0.8
120.08109	13.3
120.08886	1.9
120.53236	0.7
121.01672	5.5
121.06484	1.7
121.10138	3.5
122.05975	1.3
123.04436	4.0
123.06779	2.2
123.11682	0.8
124.03927	1.1
124.05154	2.0
124.07580	82.4
125.02409	0.9
125.07944	1.7
125.09668	1.1
128.97809	1.3
133.97485	1.3
134.03607	2.2
136.07590	1.3
137.02907	2.8
137.06010	1.3
137.98331	1.1
138.03041	5.8
138.05450	2.5
138.09100	1.8
138.12701	1.2
139.02684	3.1
142.03546	0.8
142.96701	12.1
143.03609	5.5
144.03226	3.5
148.11136	1.6
149.02344	2.6
149.06007	1.8
149.09601	2.2
152.04668	2.5
160.04575	0.9
161.04642	3.0
162.00716	0.7
162.04370	0.9
165.98315	1.7
166.04964	7.9
166.08476	6.2
166.12196	21.5
167.03357	2.9
167.07016	13.6
167.10674	2.4
167.14345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02388	0.3
70.18714	0.5
70.19129	0.9
74.47530	0.2
79.05500	2.2
91.05461	1.3
93.07027	3.3
95.04936	0.4
98.20876	0.4
103.05462	16.3
104.05817	0.4
107.04948	2.2
118.06519	0.4
120.08096	100.0
121.08447	2.0
121.35264	0.3
131.04910	1.5
131.51611	0.3
166.08684	0.6
175.51979	0.3
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
50.23012	0.1
53.03923	0.2
53.28391	0.1
55.01843	0.1
55.05504	0.2
56.96562	0.6
57.03432	0.2
65.03931	0.4
67.05502	0.5
68.04999	0.2
69.03417	0.2
69.07053	0.3
69.53626	0.4
69.54057	0.5
77.03901	0.3
78.04694	0.8
79.05479	1.9
80.05002	0.2
80.94944	0.1
81.07046	0.6
82.06573	0.2
82.07387	0.1
83.04983	0.3
83.93027	0.3
84.96024	0.1
91.05476	1.5
92.05000	0.1
92.05801	0.1
93.07036	3.1
94.04163	0.2
94.06593	0.1
95.04964	0.7
95.08591	0.3
96.04502	0.2
96.08945	0.2
97.02856	0.2
97.06507	0.2
102.00942	0.2
102.02145	0.1
103.05457	12.9
104.05779	0.4
105.07024	0.2
106.04160	0.3
106.06556	0.1
107.04300	0.1
107.04942	2.5
107.08590	0.3
108.04459	0.2
109.06501	0.2
110.10485	0.1
111.04495	0.1
116.97202	0.3
118.06524	0.3
119.01897	0.3
119.95102	0.2
120.02044	0.8
120.08094	100.0
121.01656	0.3
121.06526	1.0
121.08428	3.2
121.10152	0.2
122.06031	0.1
123.04427	1.5
123.08077	0.1
123.11713	0.2
124.05186	0.4
124.08620	0.1
125.05959	0.1
131.04916	2.2
131.05832	0.2
133.97427	0.2
134.01543	0.1
136.07582	0.2
137.02962	0.2
137.05962	0.4
137.98373	0.1
138.03050	0.5
138.05493	0.3
138.09067	0.2
138.12822	0.2
142.96706	0.9
143.03615	0.6
144.03195	0.2
148.04840	0.3
148.07555	0.2
149.02344	0.1
149.05948	0.8
151.03902	0.4
152.04709	0.2
156.30280	0.1
161.04796	0.2
166.04991	0.7
166.08534	1.4
167.03438	0.2
167.07025	4.0
167.10666	0.2
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	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02358	0.6
53.03939	1.6
55.01864	4.2
55.05507	8.5
56.96561	4.1
57.03421	6.5
57.07066	1.6
65.03931	2.1
66.48376	0.7
67.05497	54.0
68.05835	1.7
69.03423	6.5
69.07059	11.0
70.90929	1.0
70.91277	1.2
71.04980	2.7
71.95259	0.8
77.03898	0.9
79.05485	40.4
80.05812	1.4
81.03391	1.4
81.07047	82.4
82.07391	1.6
83.04976	11.4
83.08611	1.2
85.06530	7.2
91.05473	49.8
92.05815	1.5
93.07036	43.2
94.07354	1.0
95.04960	17.4
95.08598	27.3
96.08888	0.8
97.06517	11.3
99.08063	1.5
101.00861	1.1
103.05466	1.8
105.07021	81.1
106.07378	2.4
107.04951	2.1
107.08576	26.7
108.08933	0.9
109.06508	20.4
109.07637	0.8
109.10144	10.9
111.08053	1.3
115.56093	0.6
117.06983	2.6
119.01920	8.6
119.04916	2.9
119.08568	70.9
120.02000	1.0
120.08085	1.7
120.08921	2.8
121.10130	61.7
122.07278	4.5
122.10464	2.5
123.04459	0.8
123.08065	12.1
123.11703	9.4
127.07540	0.7
134.04871	0.7
137.02963	5.2
137.05971	1.4
137.09601	18.0
137.13213	3.2
142.03461	5.1
142.96680	1.2
143.05376	3.1
145.10071	1.7
147.04402	4.2
147.05479	0.7
147.11671	100.0
148.12021	5.2
149.61195	0.6
155.91595	0.6
160.04556	2.3
161.01276	0.6
165.09096	26.8
165.12737	91.8
166.05016	1.4
166.09499	0.8
166.13052	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	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.15874	0.2
53.03941	0.5
55.01883	0.2
55.05261	0.4
55.05506	3.9
57.07084	0.3
59.04992	0.2
65.03952	0.6
65.69334	0.2
66.89202	0.2
67.05500	4.5
69.03410	0.7
69.07064	2.2
70.20863	0.4
71.04995	0.5
78.58803	0.2
79.05483	2.7
81.03411	1.6
81.06575	0.4
81.07050	6.4
83.04976	0.9
83.08621	2.5
85.06527	0.3
88.00973	0.2
91.05470	3.4
93.07034	2.0
95.04961	100.0
95.08594	4.5
96.05276	2.8
97.06532	0.5
101.00841	0.3
103.05476	0.3
105.07017	3.7
107.04976	0.6
107.08588	8.1
108.08913	0.4
109.06506	16.3
109.09437	0.2
109.10143	3.9
110.06004	0.2
110.06831	0.4
116.97192	0.2
117.07067	0.2
119.01906	3.0
119.04932	1.5
119.08572	5.2
120.08125	1.1
120.08898	0.3
121.06448	0.4
121.10143	2.2
122.07256	1.7
123.04431	0.4
123.08066	1.3
123.11672	1.1
124.03963	0.3
133.02852	0.3
134.90854	0.2
137.02991	1.9
137.05040	0.2
137.05988	0.6
137.09613	4.6
137.13231	1.1
137.98355	0.2
138.05414	0.3
138.09044	0.2
138.09976	0.3
142.03481	2.2
142.96707	0.5
147.04387	2.2
147.08022	0.4
147.11678	6.1
148.11971	0.5
158.16049	0.2
160.04573	1.1
165.01825	0.3
165.04280	0.4
165.05510	0.5
165.07849	0.4
165.09097	7.9
165.12738	34.9
166.04982	0.6
166.09612	0.3
166.13072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.08687	0.5
53.03939	2.1
55.01861	3.7
55.05505	11.9
56.05027	0.8
56.96563	2.0
57.03433	6.3
57.07069	2.7
59.05007	1.0
65.03931	3.8
67.05499	67.0
68.05032	0.6
68.05833	1.7
68.99773	0.6
69.03430	5.9
69.07063	14.5
70.06583	1.3
71.04995	2.8
71.08624	1.1
71.57256	1.0
77.03893	0.5
79.05486	46.0
80.04993	0.7
80.05810	1.0
81.03401	2.1
81.07048	100.0
82.06573	2.4
82.07381	3.1
83.04972	9.8
83.06077	0.7
83.08620	4.1
83.92999	1.2
85.02923	0.6
85.06551	4.9
91.05473	47.6
92.05817	1.9
93.07037	41.8
94.06626	0.6
94.07373	1.8
95.04964	20.1
95.08599	57.7
96.04465	0.6
96.08893	1.0
97.02886	0.5
97.06520	9.6
99.08076	1.7
101.00867	1.8
101.02576	0.6
103.05427	2.7
104.19492	0.5
105.07021	60.8
106.06635	0.6
106.07281	2.7
107.04950	1.7
107.06084	0.7
107.08581	21.8
108.08883	1.1
109.02863	1.5
109.06509	16.2
109.07250	0.8
109.10147	37.6
110.06055	0.7
110.09743	0.6
110.10509	1.8
115.96394	0.7
116.97230	1.1
117.06990	2.1
119.01038	1.0
119.01907	21.7
119.04930	8.2
119.08571	49.4
119.69721	0.5
119.95119	0.9
120.02002	0.9
120.05261	0.5
120.08083	4.7
120.08907	2.4
121.06506	1.3
121.10132	42.0
122.07256	3.1
122.10409	1.2
123.04414	2.1
123.06704	0.8
123.08065	12.4
123.11697	10.6
124.03948	1.0
124.05104	0.8
124.08653	0.8
124.12025	0.6
127.07561	0.7
130.57442	0.5
133.02844	2.3
136.07545	1.0
136.08835	0.7
137.02963	13.9
137.05960	4.1
137.06882	0.8
137.09605	11.0
137.13237	1.5
137.98402	1.1
138.03021	1.5
138.05467	1.7
142.03484	15.3
142.96698	2.8
143.03595	1.2
145.10132	1.5
147.03218	0.9
147.04399	15.5
147.08051	1.7
147.11671	55.1
148.07553	1.0
148.08646	1.0
148.12013	2.0
160.04541	6.6
161.04674	0.8
165.01814	2.4
165.03056	0.7
165.05525	5.2
165.06682	1.1
165.07628	2.3
165.09048	14.4
165.12738	51.0
165.16400	1.4
165.98232	0.7
166.04939	3.0
166.08578	6.3
166.13072	2.1
167.67792	0.5
169.66986	0.5
179.50862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.63001	1.2
53.03936	3.5
55.01854	4.7
55.05297	1.1
55.05508	11.4
56.96558	4.4
57.03439	8.9
57.07063	2.1
65.03940	3.9
66.65111	1.2
67.05503	55.9
69.03426	8.2
69.07066	12.7
71.04965	3.7
71.57830	1.4
71.58212	1.4
79.05490	48.2
80.05016	1.2
80.05814	1.4
81.03405	3.6
81.07052	97.8
82.07361	3.3
83.04970	15.5
83.08609	2.4
83.93031	1.9
85.06525	5.6
90.31151	1.3
91.05478	52.4
92.05786	1.5
93.07039	51.2
93.69284	1.3
95.04969	42.9
95.08602	33.5
97.02904	1.3
97.06527	15.9
99.08055	2.5
101.00867	6.2
103.05451	3.3
105.07027	71.2
106.07343	2.3
107.04938	4.3
107.08588	24.9
109.02864	1.2
109.06511	29.6
109.10147	12.1
110.09689	1.7
114.40320	1.5
115.96449	1.8
116.97242	1.6
117.07014	3.9
119.01920	53.6
119.04948	10.8
119.08574	61.7
120.02008	4.5
120.04427	1.6
120.05235	1.4
120.08073	4.6
120.08872	2.2
121.06501	1.6
121.10143	49.1
122.07268	3.3
122.10450	1.6
123.04420	3.0
123.08072	16.0
123.11714	9.1
128.97824	2.8
133.97475	2.1
136.07590	1.8
136.08786	1.4
137.01974	2.3
137.02959	35.3
137.05980	9.3
137.09624	12.9
137.13290	1.6
137.98341	1.5
138.03084	2.3
138.05493	2.4
142.03499	30.9
142.96671	7.2
143.03618	4.2
145.10121	3.4
147.04424	11.7
147.08072	3.5
147.11682	82.0
148.12010	5.1
160.04555	17.1
165.01817	3.6
165.05519	8.2
165.09094	21.1
165.12749	100.0
165.98203	1.3
166.05009	4.6
166.08675	3.9
166.13084	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	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03928	1.7
55.01865	1.0
55.05508	5.6
56.96563	3.2
57.03413	1.6
65.03920	1.9
67.05499	36.4
68.99779	0.7
69.03409	1.7
69.07060	3.0
71.01346	0.5
71.04991	0.8
71.58083	0.8
77.00880	0.6
79.05489	8.0
81.03392	2.5
81.06590	1.0
81.07050	17.1
82.07360	0.6
82.99809	0.7
83.04973	7.7
83.08611	1.1
83.93046	0.9
91.05476	16.8
92.04984	0.5
93.07047	5.5
95.04363	1.1
95.04959	19.6
95.08592	10.9
97.06490	1.5
101.00864	4.2
101.02588	0.7
101.94070	0.6
102.02218	0.6
103.05443	1.9
105.07026	7.2
107.04946	5.7
107.08579	5.4
109.02850	0.7
109.06493	6.2
109.10146	28.7
110.10472	0.7
115.96426	1.2
116.97226	0.9
117.06979	2.6
118.03499	1.1
118.94326	0.6
119.01912	57.0
119.04919	8.0
119.08574	26.0
119.09264	0.5
119.09446	0.7
119.95072	1.0
120.01968	3.0
120.08095	3.4
120.08849	1.1
121.06487	2.4
121.10140	3.2
122.07278	18.3
123.04415	2.1
123.05499	0.6
123.08085	4.2
123.11720	1.5
124.02415	1.7
124.20618	0.6
125.05869	0.7
132.05774	0.7
133.02811	1.0
133.06816	1.1
136.07564	0.7
137.02953	38.7
137.06021	4.1
137.09604	60.9
138.03078	2.8
138.09961	2.0
142.03487	37.0
142.96687	6.5
143.03548	2.6
147.04407	11.1
147.08040	2.0
147.11668	6.1
148.03885	0.7
150.56354	0.6
160.04538	17.7
161.04724	0.8
165.01822	4.6
165.05438	6.1
165.09096	100.0
165.12714	11.2
166.04980	2.9
166.09415	3.0
183.06169	1.7
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	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03938	2.6
55.01873	6.5
55.05503	11.1
56.96558	6.2
57.03429	7.2
57.07069	2.3
65.03932	3.6
66.51482	0.6
67.05497	68.2
68.05017	0.7
68.05841	1.6
69.03419	7.6
69.07063	13.4
69.37557	2.4
69.37988	3.3
71.04980	3.3
79.05485	43.5
80.05001	0.9
80.05823	1.2
81.03409	2.8
81.07046	100.0
82.07387	2.5
83.04972	12.2
83.08602	3.3
83.93048	0.9
85.06532	6.8
91.05472	53.1
92.05808	1.8
93.07036	44.8
95.04958	23.4
95.08598	50.5
96.08919	1.0
97.06522	11.1
99.08090	1.1
101.00889	2.0
103.05442	2.8
105.07020	78.1
105.19775	0.7
106.06569	0.8
106.07344	2.1
107.04959	2.0
107.08582	28.6
108.08891	0.7
109.02879	1.4
109.06509	21.0
109.10143	34.4
110.10432	0.7
111.08047	0.7
115.96456	0.8
117.07059	3.0
118.03436	0.7
119.01051	1.1
119.01909	27.5
119.04930	6.0
119.08569	67.8
120.02011	2.7
120.04481	0.8
120.08074	4.4
120.08925	2.4
121.06539	1.1
121.10132	57.3
122.07262	7.5
122.10443	3.1
123.04461	1.7
123.08061	11.7
123.11697	11.8
124.08554	0.7
127.07583	1.1
133.02841	1.6
133.97433	0.7
135.08112	0.8
137.02946	18.8
137.05054	0.7
137.05954	3.9
137.07007	1.1
137.09593	23.6
137.13249	2.9
137.98369	0.7
138.03073	0.8
138.09961	1.2
142.03481	17.4
142.96707	3.6
143.03590	1.4
145.10112	1.7
147.04396	8.6
147.08028	2.0
147.11670	90.4
148.03857	0.8
148.07536	1.0
148.12001	4.8
158.79454	0.6
160.04550	7.7
161.04590	0.6
163.52544	0.6
165.01770	1.9
165.04224	1.1
165.05363	2.8
165.07776	1.2
165.09085	35.4
165.12732	78.4
165.98434	0.6
166.04985	2.3
166.08450	3.4
166.13113	3.5
178.31767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.01589	0.3
50.45490	0.2
51.02380	0.4
53.03941	2.1
55.01878	0.5
56.05038	0.3
56.96562	3.1
63.92951	0.2
65.03933	1.2
65.92628	1.2
67.05511	0.9
69.03439	0.3
71.40910	0.3
71.95259	0.3
77.03928	1.1
78.95271	0.3
79.05476	0.4
80.94949	2.6
81.03410	0.4
81.04546	0.6
81.07051	0.8
83.93638	0.2
84.08110	0.2
86.06135	0.2
89.57642	0.2
91.05475	21.3
92.05828	0.6
93.07026	1.6
94.04180	0.6
95.04961	77.9
96.05272	1.4
98.95985	0.2
98.97575	0.3
100.02421	0.2
101.00820	0.9
102.05527	0.2
103.05463	5.6
105.04506	1.4
105.06984	0.2
107.04963	0.4
107.06019	0.2
109.05272	0.2
109.06507	4.6
118.03479	0.2
119.01928	6.5
119.04934	56.0
120.05241	1.1
120.08091	0.4
120.52364	0.3
121.05106	0.6
121.06488	1.9
121.97546	1.4
122.07145	0.5
123.04419	100.0
124.04747	2.4
124.93898	1.2
136.06190	0.5
137.02948	2.8
137.05971	2.1
138.03052	0.2
142.03474	4.0
142.94928	0.8
147.04399	14.6
148.04747	0.5
148.06174	1.4
149.04538	0.3
149.08070	0.2
153.04016	0.3
158.96288	0.2
160.04572	1.6
160.95966	1.6
160.97298	0.2
161.01227	0.2
165.05403	1.8
165.07652	0.3
165.11435	0.3
165.96652	0.3
166.07277	3.4
166.08647	0.6
167.05626	0.4
173.01215	0.3
183.97469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02367	0.3
53.03945	0.6
54.03476	0.3
55.01859	0.5
55.05502	0.4
56.05034	0.9
56.96552	1.0
57.03444	0.3
58.06577	0.2
58.80022	0.2
59.06113	0.3
60.49846	0.2
65.03934	2.4
66.03446	0.2
67.05492	1.7
68.05025	2.0
69.03412	0.4
69.07078	0.2
70.06579	1.1
71.04997	0.3
71.19191	0.4
75.16249	0.2
79.05485	1.3
80.05013	0.8
80.94935	0.2
81.03411	0.3
81.04530	1.3
81.07050	1.6
82.06573	0.8
83.06095	1.8
85.07657	0.6
91.05472	33.1
92.05804	0.9
93.04529	0.3
93.07030	1.1
94.04178	0.4
94.06570	0.4
95.01283	0.2
95.04958	4.3
95.06076	0.8
95.08587	1.0
96.04490	0.2
97.06422	0.2
97.07621	0.9
98.07163	1.1
101.00838	0.4
103.05458	0.8
105.07018	1.1
107.04961	0.7
107.06055	1.0
107.08584	0.4
108.04558	0.2
108.05485	0.2
108.06833	0.3
109.02885	0.3
109.06521	1.5
109.07635	1.2
109.10142	1.3
110.06027	0.4
110.07167	0.5
111.05613	0.2
111.09200	0.2
117.07012	0.2
119.01929	6.6
119.04929	63.1
119.08566	3.0
120.05228	1.7
120.08104	2.2
121.06523	0.4
121.07616	0.7
121.10112	0.4
122.07182	0.9
123.04425	4.4
123.08047	1.2
124.08684	1.5
125.09531	1.1
133.02817	0.9
136.08606	0.2
137.02972	3.8
137.04994	0.3
137.05965	2.8
137.07013	0.2
137.09602	1.1
138.05507	0.2
138.09137	0.5
138.10255	0.7
142.03477	3.8
142.96704	0.6
143.03699	0.2
147.04395	100.0
148.04764	2.4
148.07596	0.5
148.08679	1.4
156.07651	0.2
160.04573	1.7
165.01802	0.6
165.04179	0.2
165.05486	2.3
165.06689	0.4
165.09103	1.7
165.11342	2.3
165.12738	0.6
166.04964	0.4
166.08591	0.4
166.09846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45720	0.7
53.71510	0.6
56.96560	1.4
60.05749	0.5
65.13497	0.5
67.11037	0.6
70.55721	0.7
70.56078	1.8
80.94946	0.7
82.99863	0.8
100.02491	0.9
101.00873	12.9
102.00928	0.7
108.05793	0.6
116.98591	0.7
117.64875	0.6
118.03515	1.3
119.01920	100.0
120.01981	4.4
121.02325	0.7
124.02419	3.3
137.02953	45.3
138.03082	2.1
142.03494	60.1
143.03661	2.7
160.04562	26.5
161.04713	1.0
164.84993	0.6
165.05066	3.2
183.06036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02382	0.3
53.03936	0.8
54.03458	0.5
55.01865	1.1
55.05501	0.8
56.05030	1.0
56.96559	0.5
57.03420	0.3
59.06117	0.4
65.03924	3.0
65.34008	0.2
67.05497	4.2
68.05021	1.8
68.99792	0.3
69.03426	1.5
69.04565	0.4
69.07062	0.4
70.06592	1.5
71.04973	0.2
71.56582	0.3
77.03922	0.4
79.05490	2.9
80.05016	1.1
81.03406	1.0
81.04541	1.3
81.07050	3.9
82.06564	0.8
83.04974	0.8
83.06111	2.4
85.07663	1.2
91.05470	42.1
92.05787	1.1
93.07041	2.2
94.04180	0.3
94.06551	0.4
95.04963	7.3
95.06068	0.8
95.08595	3.0
96.04514	0.3
97.06556	0.4
97.07656	0.7
98.07175	0.7
101.00850	0.5
103.05466	2.0
105.03366	0.4
105.07028	2.7
107.04929	0.9
107.06073	1.4
107.08578	2.5
109.02895	0.6
109.06509	2.5
109.07627	1.3
109.10141	2.6
110.07166	0.6
111.04440	0.3
111.09166	0.5
117.07017	0.7
119.01929	5.1
119.04928	67.3
119.08566	7.0
120.05234	2.1
120.08099	6.6
120.08881	0.3
121.06508	0.7
121.07617	1.2
121.10158	0.7
122.07166	1.9
123.04420	5.8
123.05360	0.4
123.08055	3.1
123.11721	0.8
124.08726	2.2
125.09484	0.9
132.05699	0.4
133.02814	0.7
136.08704	0.3
137.02983	3.5
137.05968	2.8
137.08032	0.4
137.09604	2.2
138.05528	0.3
138.06578	0.4
138.09207	0.6
138.10251	0.7
142.03482	2.8
142.96706	0.5
147.04395	100.0
147.08023	3.0
147.11694	1.4
148.04756	3.0
148.08650	2.0
160.04556	1.4
161.04562	0.2
165.01819	0.8
165.03072	0.3
165.05476	2.6
165.06566	0.4
165.07710	0.6
165.09071	5.6
165.11353	2.4
165.12762	1.4
166.04958	0.5
166.08636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61391	0.9
56.05033	100.0
60.67907	1.0
63.02702	2.4
71.55416	1.0
71.55920	1.3
74.02437	31.0
74.05659	2.0
74.06076	35.6
84.04501	13.3
85.02889	2.8
91.39053	1.0
101.00883	1.6
102.05537	99.4
103.05833	0.9
112.35664	0.9
119.01920	18.4
137.02942	8.2
142.03484	9.6
147.05707	0.9
158.96361	0.8
160.04546	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	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
54.07648	0.7
55.01862	1.5
55.05508	11.0
55.93683	0.6
56.96558	0.9
57.07076	1.4
65.03947	1.7
67.05502	12.9
67.56548	0.7
68.99782	1.4
69.03428	1.6
69.07060	21.7
69.17548	0.6
69.37127	7.3
76.02675	0.7
77.03905	1.5
79.05489	41.7
80.05002	1.2
80.05807	1.8
81.03409	1.7
81.07053	47.9
82.07393	1.3
83.04987	1.2
83.08612	10.7
89.03937	1.5
91.05479	20.2
91.48376	0.6
92.02626	2.3
93.07038	54.2
94.07366	1.2
95.04967	16.4
95.08597	38.4
97.06518	1.1
100.02485	1.9
103.02444	1.3
103.05453	15.2
105.03382	4.9
105.04518	3.0
105.07027	11.5
106.06624	0.8
106.07310	0.9
107.04952	9.0
107.08588	100.0
107.96552	0.6
108.08150	0.8
108.08911	2.7
109.06485	3.5
109.10167	2.4
115.05469	1.0
117.03384	1.4
117.05769	1.0
117.07027	3.3
118.03513	1.0
118.06499	0.7
119.04955	1.5
119.06034	1.5
119.08566	5.1
121.06522	2.6
121.10133	32.9
122.07110	1.1
122.09637	1.6
123.08018	0.8
130.06512	2.5
130.07774	1.2
131.04924	11.9
132.05333	1.0
132.08087	2.4
133.02782	13.7
133.06526	0.9
135.04404	18.3
135.08064	4.2
135.11687	11.4
136.04773	1.3
136.07587	1.8
136.08580	0.7
138.03058	0.9
145.02785	1.8
145.03960	1.3
145.06499	2.2
145.10130	3.7
148.08771	0.7
151.04488	2.9
161.13138	0.8
163.03891	59.1
163.07510	9.3
163.09764	1.7
163.11172	9.3
163.12355	1.5
163.14815	41.1
164.04340	3.5
164.07054	2.4
164.10693	1.1
164.15219	1.6
181.02953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	4.7
55.01847	0.9
55.05503	11.8
57.07067	1.1
57.19099	0.6
60.85079	0.6
65.03934	2.2
67.05497	12.4
67.09477	0.6
69.03419	1.2
69.07063	22.3
69.32151	6.7
70.07395	0.7
76.02679	1.2
77.03904	1.0
79.05489	38.5
81.07051	54.4
82.07388	2.2
83.08614	8.8
84.45820	0.6
85.03232	0.7
89.03892	0.9
91.05476	17.9
92.02602	1.0
93.07036	55.0
94.07361	1.2
95.04968	11.7
95.08600	36.5
96.08911	1.2
97.06550	1.1
97.42437	0.6
100.02489	0.8
103.02447	1.4
103.05463	8.4
105.03383	2.2
105.04507	2.0
105.07019	10.7
106.06597	0.9
106.07394	0.7
107.04948	5.5
107.08585	100.0
108.08884	3.6
108.47462	0.6
109.06490	3.8
109.10139	2.2
109.54437	0.6
115.05383	0.8
117.05724	0.7
117.07011	2.3
119.04929	1.5
119.06020	0.9
119.08579	3.4
121.03460	0.9
121.06530	2.1
121.10135	33.1
122.09643	1.1
122.10442	1.2
123.07997	1.3
130.06494	1.6
131.04907	6.9
132.08051	1.4
133.02695	7.3
134.03180	0.6
135.04416	10.9
135.08022	2.1
135.11664	11.5
136.04761	1.0
136.07581	0.8
136.12010	0.7
138.03151	0.7
145.02835	0.8
145.06470	1.1
145.10088	2.0
151.04512	2.6
161.13264	0.7
163.03894	32.9
163.05020	1.1
163.07530	6.2
163.09846	1.5
163.11153	7.2
163.14807	44.7
164.04219	2.0
164.07002	1.4
164.10689	1.2
164.15143	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01570	0.4
53.03943	3.0
55.01861	1.1
55.05507	10.8
57.07068	2.3
57.95824	0.4
65.03931	1.3
66.03490	0.4
67.05504	7.0
68.05019	0.5
69.03413	1.6
69.07062	24.2
69.52981	3.7
70.07391	0.5
71.08639	0.5
77.03922	0.7
78.89920	0.4
79.05485	28.0
80.05002	0.8
80.05791	0.9
81.03406	0.5
81.04540	1.1
81.07046	26.7
82.05348	0.5
82.07372	0.5
83.08612	7.2
85.02902	0.6
89.03902	4.3
91.05475	19.1
92.02620	1.0
92.05775	0.6
93.07035	49.1
94.07366	1.5
95.04964	8.4
95.06074	1.8
95.08599	22.9
96.06841	0.4
96.08926	1.1
97.07633	0.6
103.05464	6.2
105.03383	1.4
105.04516	1.5
105.07018	18.3
105.08911	0.4
105.82252	0.4
106.06582	0.7
106.07302	0.5
107.04959	5.8
107.08582	100.0
108.05589	1.1
108.08187	0.7
108.08875	3.7
109.06504	4.0
109.07627	1.0
109.10133	1.6
115.05443	1.0
117.03349	3.4
117.05739	0.9
117.07004	3.5
119.04908	0.9
119.06065	1.8
119.08563	6.2
120.05571	1.0
120.08073	0.6
121.06521	2.6
121.10133	39.4
122.07154	2.6
122.10391	1.1
123.08032	3.0
128.06161	0.5
130.06477	1.1
130.07767	1.9
131.04913	5.0
132.08058	1.3
133.02840	6.5
133.06517	0.5
133.10103	1.0
134.10953	0.6
135.04405	11.3
135.08028	4.3
135.11671	16.6
136.07553	1.6
136.08684	2.2
136.11987	0.6
145.02846	1.9
145.03862	0.6
145.06471	0.9
145.10120	4.9
146.07062	1.1
147.04382	0.8
148.08859	0.6
161.13234	0.9
163.03894	24.4
163.07510	3.7
163.08641	0.7
163.09766	3.0
163.11163	10.6
163.14810	35.2
164.04306	1.7
164.06989	1.2
164.08176	0.6
164.11682	0.6
164.15140	1.5
168.19850	0.5
179.13397	0.5
181.02849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02361	1.9
53.03944	10.4
55.01855	1.9
55.05511	15.5
57.07055	2.9
61.02901	1.0
62.95517	0.9
63.97287	0.8
65.03937	2.1
67.05503	43.7
68.80073	0.8
69.06727	1.3
69.07066	20.0
71.57387	1.3
73.02918	0.9
77.03933	2.0
79.05490	100.0
80.05803	2.3
81.03387	1.6
81.07053	66.5
82.07384	1.7
83.04976	0.9
83.08617	9.8
89.03893	1.2
91.05476	24.8
92.02611	5.9
92.05818	1.2
93.07041	87.3
94.07385	3.0
95.04367	1.9
95.04964	33.1
95.08604	60.0
96.05259	1.1
96.08918	1.6
97.10146	2.3
100.02489	1.3
103.05442	1.7
105.03371	7.1
105.04512	5.4
105.07032	10.3
107.04961	5.2
107.08591	80.3
108.08889	1.7
109.06520	3.1
109.10128	4.8
117.07008	3.9
118.03449	1.3
119.04911	1.2
119.08575	5.5
121.06500	2.1
121.10140	98.2
122.10463	3.5
130.06551	1.2
131.04837	1.7
132.08092	2.0
133.02846	30.2
134.03131	1.4
135.04405	37.0
135.08028	1.5
135.11702	11.3
136.04762	2.5
138.03111	1.8
145.10129	3.6
163.03899	99.7
163.07527	3.5
163.11142	13.4
163.14819	54.5
164.04306	5.3
164.07097	1.7
164.15198	2.8
181.06390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01587	1.0
51.02366	1.1
51.62319	0.4
53.03944	10.7
55.01858	1.9
55.05510	8.5
56.92199	0.5
57.07058	1.5
57.95034	0.6
61.02903	0.7
62.56253	0.5
65.03922	1.5
67.05501	21.4
68.05818	0.7
69.03418	0.8
69.07065	9.1
71.58499	0.9
77.03925	2.6
79.05488	49.7
80.05815	1.2
81.03404	1.6
81.07052	29.5
82.07373	1.4
83.08624	5.1
89.03899	1.4
91.05475	14.2
92.02613	6.0
93.07040	44.0
94.07363	1.7
95.04964	32.3
95.08600	28.1
96.05284	1.3
96.08917	1.1
97.10135	1.0
100.02478	1.5
103.05458	1.8
105.03393	7.5
105.04467	4.6
105.07033	6.0
106.06529	0.5
107.04950	6.3
107.08587	40.9
108.08887	1.0
109.06524	1.2
109.10156	2.8
114.06290	0.5
115.05460	0.5
117.03375	1.0
117.07037	2.9
118.03532	1.5
118.06539	0.6
119.04923	2.0
119.08591	4.2
121.06494	1.7
121.10134	45.0
122.09659	0.7
122.10459	0.9
130.06525	2.2
131.04909	1.1
132.08083	2.7
133.02843	33.0
134.03172	1.8
135.04408	34.8
135.08038	1.8
135.11662	5.7
136.04718	1.8
136.07483	0.6
138.03107	2.0
145.03979	0.6
145.06473	1.2
145.10077	2.5
152.02470	0.5
163.03893	100.0
163.07475	3.3
163.11163	8.9
163.12407	0.8
163.14822	22.2
164.04263	5.4
164.07054	1.1
164.15227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.00290	0.7
53.03942	11.6
55.01849	1.9
55.05506	16.9
57.03421	1.1
57.07057	3.3
61.02919	6.0
65.03926	3.2
67.05499	41.9
67.94759	0.9
69.03407	2.3
69.07063	18.3
69.60599	5.8
71.04970	1.0
73.02898	3.0
77.03911	2.3
78.04700	0.9
79.05485	100.0
80.05818	2.2
81.03399	2.2
81.07046	65.6
82.07364	1.7
83.08607	9.5
85.02896	3.4
86.73412	0.7
88.04100	0.7
89.03917	1.5
91.03946	1.6
91.05467	26.2
91.11546	0.9
92.02605	5.8
93.07033	89.9
94.07372	3.2
95.04957	34.4
95.05560	1.8
95.08595	60.4
96.05335	1.0
96.08915	2.2
97.02877	1.2
97.10159	1.8
98.20752	1.6
100.02449	1.2
103.05491	1.5
105.03384	8.1
105.04491	5.3
105.07015	10.4
107.04941	8.0
107.08581	77.2
108.04503	1.1
108.08911	3.2
109.06503	2.8
109.10154	4.6
115.05431	1.2
117.03395	1.0
117.07032	4.6
118.03493	1.2
119.04929	1.6
119.08566	5.8
121.06473	2.5
121.10128	91.1
121.38833	0.9
122.05951	0.9
122.10464	2.6
130.06522	2.5
130.07776	2.1
131.04892	1.1
132.08047	2.7
133.02844	30.1
133.10120	1.3
134.03185	1.3
135.04393	37.0
135.08063	2.5
135.10818	1.1
135.11682	10.3
136.04747	2.4
138.03101	1.6
145.10100	5.9
163.03883	97.1
163.07521	3.3
163.09845	1.3
163.11153	16.0
163.12440	1.2
163.14803	49.2
164.04381	5.3
164.07048	1.4
164.15158	3.0
183.79753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01608	0.9
51.02377	1.2
53.03943	12.3
55.01856	1.0
55.05518	4.0
57.03426	0.7
57.07072	0.9
58.23009	0.8
65.03925	0.9
65.47734	0.6
67.05496	5.3
68.29105	0.6
69.03398	0.8
69.07064	24.0
71.57278	0.9
77.03902	1.6
79.05489	28.8
81.03403	2.6
81.06580	1.5
81.07045	18.8
83.08615	4.3
85.02887	1.7
89.03912	2.1
91.05469	15.6
92.02612	5.7
92.05778	0.8
93.07039	33.7
94.07378	1.0
95.04960	29.0
95.08598	16.8
100.02463	1.9
103.05470	2.6
105.03394	6.9
105.04472	5.2
105.07030	8.1
106.06527	1.6
106.07262	0.8
107.04935	6.9
107.08588	82.1
108.08892	2.3
109.06491	3.0
115.05441	1.2
117.03368	0.9
117.05712	1.2
117.07008	2.8
118.03513	1.7
119.08576	3.1
121.06472	1.5
121.10134	25.6
130.06512	2.4
131.04877	2.0
132.08051	2.7
133.01826	1.7
133.02841	33.2
134.03198	1.8
135.04407	34.4
135.08029	2.2
135.11684	10.3
136.04759	1.4
138.03117	1.4
145.06462	1.3
145.10081	2.4
163.03893	100.0
163.07481	4.1
163.11150	13.3
163.12341	1.5
163.14815	47.7
164.04309	5.4
164.07054	2.0
164.10707	1.1
164.15144	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01595	0.7
51.02374	1.3
53.00298	0.6
53.03709	0.7
53.03944	12.0
55.01868	1.7
55.05255	0.8
55.05509	8.0
57.07065	0.7
61.02925	3.2
65.03930	1.3
67.05499	16.3
68.05832	0.5
69.03427	0.9
69.07061	7.6
70.64149	0.8
70.64511	2.2
72.93743	0.6
73.02886	1.7
77.03913	2.5
79.05488	49.6
80.05832	1.4
81.03414	1.4
81.07051	27.9
82.07375	1.3
83.04939	0.7
83.08614	4.5
83.45380	0.6
85.02880	2.1
89.03939	1.4
91.03963	1.3
91.05476	14.8
92.02608	7.4
93.07036	43.4
94.07369	1.5
95.04963	32.6
95.08600	29.5
97.02875	0.7
97.10165	1.6
100.02474	2.4
103.05476	1.9
104.59930	0.6
105.03391	7.6
105.04498	5.4
105.07023	6.5
106.06529	1.1
107.04942	5.8
107.08587	37.5
108.08879	1.2
109.06500	1.7
109.10151	1.9
115.05460	1.0
117.03302	0.6
117.05762	1.2
117.07009	3.5
118.03517	1.3
118.06532	1.1
119.04924	1.7
119.08555	3.7
121.06509	3.8
121.10135	46.2
122.09707	0.8
122.10477	1.8
130.06520	1.7
130.07761	1.9
131.04951	1.3
131.97429	0.6
132.08095	2.6
133.02843	31.9
134.03165	1.6
135.04419	36.0
135.08049	2.2
135.11711	5.9
136.04752	1.3
136.07535	0.6
138.03123	2.1
144.20296	0.6
145.06403	1.3
145.10136	3.2
154.26045	0.6
163.03896	100.0
163.07480	3.2
163.11160	11.8
163.12347	1.2
163.14821	21.7
164.04300	6.8
164.07066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50965	1.0
51.02361	2.1
53.03942	12.7
54.03455	1.3
55.01857	4.7
55.05506	15.4
57.07073	30.8
65.03939	3.1
67.05515	5.9
68.05016	2.4
69.03410	3.3
69.07068	10.3
69.69616	7.1
77.03915	4.0
78.95261	1.0
79.05484	29.1
80.05013	1.7
81.03409	3.0
81.04536	3.7
81.07050	12.0
82.05312	1.4
83.05002	1.3
83.08604	4.4
85.02888	1.7
89.03909	1.8
89.06024	17.6
89.42795	1.1
91.04903	1.8
91.05476	29.5
92.02602	6.2
93.07037	28.5
95.04368	1.8
95.04966	33.3
95.06069	3.3
95.08594	8.8
96.05315	1.1
97.07623	1.3
101.09646	2.2
103.05462	21.5
104.05718	1.4
105.03374	7.2
105.04500	6.6
105.07018	19.2
106.06525	1.4
107.04942	13.9
107.06094	2.2
107.07079	3.3
107.08585	42.1
108.05598	3.5
108.08096	3.8
108.08791	1.0
109.06502	3.8
109.07626	2.0
115.05429	3.6
117.03375	2.0
117.06992	10.1
118.06514	1.2
119.04922	3.7
119.06014	1.7
119.08559	8.4
120.04436	1.2
120.05624	2.5
121.06519	6.3
121.10139	23.2
122.06008	1.5
122.07140	7.0
122.09582	1.3
123.07961	3.8
123.62502	1.1
126.05503	2.6
130.06522	5.6
130.07768	4.0
131.04926	20.7
132.08072	3.6
133.02840	33.0
133.03809	2.3
133.06453	1.9
133.10091	2.0
134.03174	1.4
135.04420	32.5
135.08051	12.5
135.11707	10.5
136.04695	2.5
136.07571	84.2
136.08623	4.6
136.11168	1.9
138.03088	1.3
140.07054	3.3
140.28297	1.2
145.02846	1.7
145.03992	1.3
145.06493	7.0
145.10130	12.2
146.07104	2.9
147.08034	1.5
148.05180	1.1
148.08748	1.7
163.03896	100.0
163.07549	15.2
163.09766	9.8
163.11177	26.4
163.12100	2.0
163.14812	11.5
164.04327	6.0
164.07014	11.6
164.10588	2.3
164.14307	2.1
181.02797	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02369	0.8
53.03745	0.4
53.03941	4.3
54.03448	0.4
55.01869	3.2
55.05507	4.0
56.96557	0.5
57.03434	0.5
57.07058	0.6
65.03923	1.4
67.05499	3.5
68.05006	0.6
68.99792	0.6
69.03426	2.7
69.06680	0.4
69.07062	8.8
70.10765	1.8
70.11108	0.6
77.03919	1.1
79.05490	17.3
80.04996	0.8
80.05797	0.6
81.03411	1.1
81.04524	0.8
81.06580	0.8
81.07051	13.3
82.05333	0.5
83.04967	1.0
83.08621	2.1
89.03909	3.9
91.05473	13.4
92.02601	1.3
92.05804	0.4
93.07037	23.5
94.07378	0.6
95.04965	10.8
95.06059	1.4
95.08599	8.9
96.06875	0.6
97.07694	0.4
98.20747	0.7
100.02471	0.5
103.05463	16.3
105.03385	1.5
105.04492	2.0
105.07024	12.1
106.06528	0.5
107.04949	11.4
107.06083	0.8
107.08588	38.4
108.05614	0.6
108.08130	0.5
108.08871	0.8
109.06497	2.0
109.07619	1.1
109.10145	0.7
115.05443	1.4
117.03382	2.6
117.05760	0.7
117.07008	7.4
118.03568	0.6
118.06500	0.4
119.04949	0.9
119.06052	0.7
119.08585	5.7
121.06516	5.9
121.10132	15.0
122.07109	1.7
122.10454	0.6
123.07954	1.5
123.13354	0.4
126.05449	0.4
129.06998	0.5
130.06517	1.6
130.07762	2.2
131.04922	13.4
132.05243	0.4
132.08047	1.3
133.02843	7.9
133.06476	4.1
133.10092	0.9
135.04414	12.1
135.05354	0.4
135.08047	10.2
135.11684	6.8
136.04773	0.7
136.07579	10.8
136.08644	1.2
143.08578	0.8
145.02831	1.7
145.03894	0.5
145.06470	1.3
145.10109	9.8
146.06036	0.6
146.07143	0.8
146.10483	0.8
147.08044	5.2
148.08821	15.2
149.09250	0.7
163.03902	28.8
163.05006	1.1
163.07549	8.5
163.09975	3.5
163.11162	100.0
163.14803	12.5
164.04416	0.9
164.07031	1.6
164.08199	0.5
164.11546	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.4
50.75809	0.9
51.02381	2.5
51.60661	0.9
53.03939	13.6
54.03459	1.7
55.01871	8.2
55.05511	11.1
56.96549	2.8
57.03418	4.9
65.03933	3.5
67.05498	12.3
67.76334	1.1
68.05008	3.8
69.03429	14.3
69.07068	18.0
69.73120	1.0
69.92076	5.1
71.04981	3.8
71.16672	1.2
77.03920	3.6
79.05490	56.8
80.05016	2.0
80.05819	2.2
81.02927	1.3
81.03412	25.1
81.04530	3.5
81.07056	35.9
82.05303	2.6
83.04976	6.5
83.06116	2.0
83.08612	2.3
84.08138	1.7
85.02866	2.6
85.88507	1.1
86.60258	1.0
89.03912	14.9
91.05479	46.8
92.02612	4.8
92.04971	1.4
93.03386	1.4
93.04537	1.3
93.07040	55.2
94.06540	1.8
94.07362	2.1
95.04362	2.4
95.04961	40.7
95.06016	5.6
95.08607	27.6
96.06863	1.6
97.06530	1.1
97.07638	3.6
97.81885	1.0
98.21445	1.7
103.05462	70.6
104.05769	2.5
105.03400	6.7
105.04520	7.2
105.07027	80.4
106.06574	2.2
106.07353	3.3
107.04951	45.1
107.06100	3.5
107.08588	77.5
108.05572	4.0
108.08150	1.7
108.08916	1.8
109.06514	12.4
109.07645	3.4
110.06003	1.2
115.05444	8.4
116.06178	1.8
117.03372	9.4
117.05731	3.1
117.07012	29.3
118.06548	1.4
119.04942	4.6
119.06063	3.9
119.08566	26.9
120.05585	3.5
120.08108	2.1
120.08858	1.6
121.06506	22.1
121.09318	1.7
121.10133	41.1
122.06233	1.8
122.07128	11.7
123.07986	10.3
128.06197	3.5
129.06985	5.0
130.04176	1.7
130.06517	4.8
130.07779	22.2
131.04924	56.4
131.85661	1.2
132.05255	2.0
132.08124	7.0
133.02855	26.2
133.06450	3.6
133.10110	9.5
134.07324	1.7
135.04414	46.4
135.05412	1.7
135.08054	23.8
135.10730	2.4
135.11681	21.9
136.04764	2.3
136.07561	7.8
136.08675	8.2
137.07095	1.7
138.03023	1.2
139.01877	2.3
143.08566	3.7
145.02832	7.0
145.03899	2.1
145.06488	6.4
145.10115	62.6
146.07158	2.6
146.10480	2.3
148.05186	4.9
148.08803	4.3
163.03896	100.0
163.04997	3.6
163.07530	27.2
163.08618	2.5
163.09787	14.2
163.11136	75.1
163.14888	12.1
164.04390	5.7
164.07047	3.6
164.08199	1.3
164.11635	2.7
164.99197	1.3
181.02856	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.13843	0.9
51.02370	2.0
53.03939	9.8
55.01872	24.5
55.05509	15.1
56.06760	0.8
56.96563	1.2
57.03436	6.7
57.07070	2.0
65.03922	3.3
67.05503	29.1
68.05812	0.8
69.03429	10.2
69.07065	18.7
70.49870	0.7
70.71827	1.7
71.04978	2.0
77.03905	2.3
79.05490	79.8
80.05012	0.9
80.05798	1.3
81.03418	7.4
81.07053	40.7
83.04979	5.4
83.08597	3.1
89.03927	4.5
91.05479	55.7
92.02610	3.3
92.05800	1.5
93.07040	100.0
94.07354	1.7
95.04967	39.9
95.05997	1.6
95.08602	31.6
96.05302	0.8
97.06521	2.9
100.02455	0.9
103.04791	1.7
103.05460	26.2
105.03397	4.7
105.04526	4.6
105.07027	46.5
106.06587	0.8
106.07353	1.2
107.04951	32.6
107.08590	87.6
108.08900	2.4
109.06501	9.3
115.05435	6.7
116.06217	3.1
117.03349	1.9
117.05711	2.3
117.07014	44.3
118.06570	0.9
118.07307	1.7
119.04934	3.0
119.06071	0.9
119.08571	27.1
120.02069	1.0
120.08866	1.1
121.06502	26.1
121.10137	27.9
122.07168	2.4
122.09687	1.3
122.10467	1.4
123.08005	2.2
128.06219	2.5
129.07002	3.5
130.06517	3.4
130.07768	15.8
131.04927	15.7
132.08070	4.2
133.02850	18.8
133.06485	3.3
133.10101	4.1
134.07271	1.9
135.04417	25.3
135.08046	15.5
135.11684	32.0
136.04700	1.0
136.07574	1.4
143.08577	4.7
143.52371	0.8
145.02884	1.8
145.06458	3.1
145.10115	57.2
146.07155	1.1
146.10487	1.6
147.08037	1.1
148.08778	4.1
161.09560	1.3
163.03905	64.0
163.07539	9.1
163.11171	86.0
163.14816	15.5
164.04373	1.6
164.06996	1.9
164.11562	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	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
52.96131	0.5
53.00336	0.6
53.03943	6.1
54.03476	0.8
55.01869	3.3
55.05511	3.7
57.03434	1.7
57.07063	0.8
65.03922	3.2
67.05499	5.7
68.05011	1.2
68.99786	8.9
69.03422	4.5
69.07067	7.8
71.04992	4.0
71.33466	1.3
77.03895	1.1
79.05488	26.8
80.04996	1.3
80.05814	0.7
81.03391	1.4
81.04532	1.4
81.07051	8.2
82.05317	0.7
83.04955	1.9
83.08612	1.0
84.08119	0.9
85.02899	2.2
85.35150	0.6
89.03914	3.9
91.05475	31.6
92.02610	2.1
92.05790	0.9
93.07040	30.2
94.07391	0.6
95.01282	0.6
95.04961	17.2
95.06059	1.7
95.08588	4.8
96.06880	0.9
97.02827	0.9
103.05462	13.0
105.03384	2.6
105.04498	3.2
105.07024	17.7
106.06595	0.9
107.04948	13.6
107.06073	1.5
107.08586	30.6
108.05592	1.3
108.08932	0.8
109.06503	2.4
109.07625	1.0
111.04412	1.7
115.05415	3.2
117.03381	3.1
117.05775	1.3
117.06166	0.9
117.07008	13.2
119.04926	1.6
119.06065	1.5
119.08572	17.9
120.05569	0.9
120.08060	1.0
120.08869	0.7
121.06496	15.9
121.10138	19.5
122.07170	3.8
123.07964	3.2
128.06195	0.7
129.06966	1.4
130.06520	1.8
130.07767	4.9
131.04918	12.3
132.08105	1.8
133.02838	9.8
133.06456	2.1
133.10100	1.4
135.04420	18.2
135.08051	6.5
135.11691	11.8
136.04761	0.8
136.07556	6.3
136.08687	3.4
145.02887	1.5
145.06447	2.4
145.10121	17.7
146.07109	1.8
148.08827	1.3
163.03893	100.0
163.07523	9.6
163.09789	5.6
163.11145	40.7
163.14857	5.3
164.04285	4.8
164.07011	2.2
164.08195	1.1
171.39540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	1.8
52.12803	0.9
52.58215	0.8
53.03939	7.4
54.03468	1.1
55.01869	5.1
55.05508	10.4
56.59409	0.9
57.03420	2.1
57.07055	2.4
65.03915	2.4
67.05500	10.6
68.05011	2.5
69.03429	10.8
69.07065	12.7
71.04973	4.8
71.08028	2.0
77.03899	2.4
79.05489	42.5
80.04999	1.7
80.05820	1.6
81.03410	1.3
81.04506	3.1
81.07052	27.8
82.05298	1.9
83.04958	3.0
83.08580	3.1
84.08114	1.5
85.02905	1.1
85.88787	0.8
89.03902	5.3
91.05476	47.8
92.02605	2.7
92.05769	1.3
93.07040	55.5
94.07351	1.7
95.04375	1.2
95.04966	25.1
95.06041	4.0
95.08597	12.1
103.05463	38.7
104.04278	0.9
104.05745	1.4
105.03366	3.6
105.04485	3.9
105.07027	49.7
106.06571	1.6
106.07288	2.0
107.04945	17.4
107.06138	1.8
107.08588	100.0
108.05575	3.4
108.08159	1.0
108.08884	2.3
109.06513	6.1
109.07632	2.0
115.05453	5.2
117.03329	3.7
117.05701	1.1
117.07015	19.4
118.06548	1.7
118.07341	1.0
119.04977	1.3
119.06058	1.9
119.08575	26.1
120.05620	1.7
120.08084	1.3
121.02818	1.4
121.05666	1.7
121.06496	23.7
121.10136	48.8
122.07173	6.0
122.10464	1.6
123.07987	5.0
128.06200	1.5
129.06966	3.7
130.06523	2.5
130.07747	15.6
130.11084	0.9
131.04924	38.4
132.05267	1.2
132.08055	3.0
133.02853	11.9
133.06453	4.1
133.10109	2.5
135.04404	22.0
135.08043	16.5
135.11684	21.5
136.07516	2.6
136.08653	3.8
136.12000	1.4
143.08478	3.4
145.02832	2.4
145.06465	3.2
145.10115	42.3
146.06012	1.5
146.07092	1.8
146.10408	1.4
147.07971	2.4
148.05113	1.2
148.08789	5.0
163.03900	49.7
163.07535	19.4
163.09778	9.3
163.11142	67.2
163.14810	14.3
164.03192	1.5
164.04347	1.7
164.06964	5.5
164.08250	2.0
164.11496	3.9
164.14293	1.7
171.84157	1.0
181.02812	1.2
181.08536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0865
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03936	0.6
55.04203	0.2
55.05486	0.2
56.96535	0.4
63.92938	2.7
65.03949	0.2
68.05025	0.2
69.03421	0.3
70.06576	0.3
70.53381	0.2
70.92072	0.4
78.95277	5.3
79.05495	1.2
81.03397	0.2
81.93954	0.6
85.02869	0.4
89.03927	1.0
91.05486	1.0
92.02584	0.3
92.04993	1.4
93.07008	0.2
94.82613	0.2
95.04962	1.4
95.06089	0.4
96.96296	0.7
102.96876	0.2
103.05464	1.9
104.04956	0.2
105.03389	0.5
105.04521	0.4
106.06549	0.4
107.04934	0.9
107.06083	0.3
107.08594	0.5
115.13336	0.2
117.03364	0.8
117.05746	0.7
117.07011	0.3
118.06544	3.0
119.04951	0.3
119.06042	0.4
119.97880	2.4
121.06497	0.2
122.94212	2.3
123.07970	0.2
125.04126	0.2
130.06537	0.6
131.04913	1.7
132.06830	0.2
132.08087	0.4
133.02878	1.0
133.07607	21.9
134.07945	0.6
135.04416	2.3
135.08003	0.4
136.07454	0.2
136.08659	0.3
140.95256	1.2
145.02911	0.3
145.07602	22.0
146.08420	2.0
158.96300	3.7
163.03937	5.1
163.08656	100.0
163.96822	0.4
164.04321	0.3
164.09045	3.6
176.97424	0.2
181.02840	0.3
181.97853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	0.7
53.03943	2.4
54.03462	0.3
55.01871	1.5
55.05501	1.1
56.96558	0.4
57.00889	0.3
57.03424	1.1
58.50683	0.3
64.30888	0.3
65.03938	0.9
67.05494	1.7
69.03418	1.0
69.07066	1.6
69.87846	1.8
71.04990	0.4
77.03922	0.9
79.05489	12.2
81.03444	0.7
81.04514	0.6
81.07053	2.8
81.82069	0.3
82.05302	0.4
83.04961	0.5
83.08617	0.5
88.20024	0.3
89.03911	1.7
89.11917	0.3
91.05474	13.3
92.02626	0.8
92.06255	1.3
93.07034	6.2
95.04961	8.9
95.05569	0.6
95.06098	1.2
95.08586	1.8
96.06887	0.4
97.07664	0.4
102.04671	0.5
103.05461	100.0
104.05717	2.9
105.03410	1.7
105.04513	1.6
105.07025	12.3
106.06564	0.7
106.07304	0.3
107.04942	6.0
107.07861	0.6
107.08583	10.4
108.05589	0.3
109.06516	1.2
109.07642	0.4
115.05454	2.3
117.03362	1.3
117.07011	4.6
119.04935	1.9
119.06091	0.5
119.08552	2.0
120.05724	4.1
121.06506	3.5
121.10130	4.3
122.07150	1.4
123.07950	0.9
128.06235	0.3
130.06522	1.3
130.07767	1.5
131.04919	60.1
132.05228	2.1
132.08087	1.0
133.02844	5.0
133.06526	1.5
135.04425	8.2
135.08046	49.3
135.11612	2.4
136.04825	0.3
136.07545	1.0
136.08492	2.0
138.03088	0.4
145.02840	0.7
145.06516	1.4
145.10120	4.3
146.07138	0.5
147.04405	0.4
147.08025	1.3
148.05211	0.9
148.08832	3.5
149.05989	0.3
160.06171	0.3
163.03896	20.3
163.07536	34.9
163.09787	2.4
163.11148	22.8
163.14793	1.6
164.04292	1.3
164.06859	0.6
164.08177	1.6
164.11575	0.6
164.14249	0.3
176.47203	0.4
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
53.03956	1.5
54.64725	0.6
55.01863	1.5
55.05510	7.4
55.68738	0.4
56.05022	1.8
56.43814	0.4
56.96563	1.2
58.99593	1.1
59.06128	0.6
60.04548	1.0
65.03938	1.1
65.71615	0.4
67.05500	7.8
69.03434	1.3
69.07069	8.0
70.91252	0.4
71.56555	0.5
72.04494	0.8
73.02917	0.7
77.03918	0.8
79.05492	11.9
81.07056	17.0
82.05325	0.5
84.04498	2.5
84.08111	0.5
85.02892	0.8
89.03880	0.6
91.05480	24.9
92.05837	0.8
93.04542	1.2
93.07037	10.9
93.37208	0.5
95.04981	2.9
95.08604	4.8
98.06036	0.5
102.05533	0.6
103.05453	4.3
104.06250	0.8
105.03388	2.0
105.07027	100.0
106.06668	0.7
106.07317	2.8
107.04984	0.8
107.06075	0.5
107.08585	3.8
113.02349	0.5
115.05457	4.8
117.07031	7.4
118.04142	2.6
118.06570	1.7
118.07833	0.7
119.03568	0.9
119.08578	78.7
120.05611	1.2
120.08059	1.3
120.08929	1.9
121.06396	4.2
121.10159	1.8
128.06232	3.3
129.06975	0.5
130.07813	0.5
131.04929	1.9
131.08568	7.8
132.09303	1.6
133.02840	0.5
133.06496	7.5
133.10127	44.9
134.05995	1.6
134.07115	2.5
134.10468	1.8
138.98866	0.5
143.08530	3.8
144.08058	0.6
145.06491	0.9
145.10120	1.4
146.03619	1.7
146.07288	4.9
146.10930	2.4
147.04439	0.8
159.11766	2.6
161.05983	6.0
161.07132	1.2
161.08170	2.7
161.09598	20.3
161.13258	50.7
162.04085	1.5
162.05481	3.2
162.07718	0.6
162.09035	0.8
162.13605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0549
Annotation	5-Hydroxyindole-3-carbaldehyde
Peak:m/z	Relative Intensity
51.23364	0.8
53.03942	4.5
55.42395	0.6
56.05018	2.3
56.96556	1.8
60.04529	2.0
61.92871	1.5
65.03933	4.1
67.05487	1.1
67.53867	0.8
68.05022	1.6
70.02943	0.9
70.06568	1.1
71.56696	1.0
72.04515	1.7
74.06071	2.2
77.03922	1.2
78.04707	0.9
79.05492	16.2
80.05008	1.5
81.03418	1.0
81.04542	0.9
83.06129	0.9
84.04502	2.0
85.02895	0.9
86.06078	1.1
88.07626	1.8
89.03920	11.4
91.05489	6.7
92.02612	2.3
92.05006	1.6
93.03374	1.1
93.04520	0.8
93.07029	1.6
95.04971	11.7
95.06087	1.3
96.04475	1.2
98.06066	1.4
100.03988	0.9
102.05546	2.5
102.96861	1.1
103.05447	2.8
105.03398	3.1
105.04498	2.0
105.07063	3.7
106.06561	24.7
106.07285	1.6
107.04958	13.5
107.06081	3.0
107.06805	0.7
107.08594	3.0
108.05623	1.0
111.04437	4.7
111.74178	0.7
115.05441	1.2
116.04984	16.4
116.05788	1.3
116.07066	1.1
117.03381	3.6
117.05766	1.4
117.07029	5.1
118.06541	2.8
118.07352	4.5
119.03567	1.6
119.04923	2.2
119.06001	0.7
119.08600	1.2
120.02111	0.7
120.04447	3.1
120.05629	1.3
120.08103	8.7
120.08897	0.9
120.96517	2.5
120.97917	1.2
121.06475	2.1
122.07142	2.3
123.07970	2.3
130.06511	0.8
131.04913	1.5
132.08087	1.4
133.02866	12.1
133.05229	2.9
134.03711	2.0
134.06017	87.9
134.99684	0.8
135.04427	20.0
135.05487	2.1
135.06371	1.8
135.08022	2.5
135.09058	1.0
135.11656	1.0
136.08704	1.8
138.03168	1.5
138.98940	2.6
139.01814	4.1
139.33882	0.7
144.04451	23.7
144.05566	1.0
144.08076	2.1
145.02843	3.1
145.03889	1.3
145.04994	0.9
145.06468	1.6
145.08400	2.3
145.09784	1.5
146.05977	1.3
152.95505	0.9
156.96222	1.2
156.99915	1.0
162.05499	100.0
162.09013	9.2
162.12744	0.9
163.03903	49.2
163.05988	2.7
163.07533	3.0
163.08614	1.2
163.09781	2.1
163.11157	2.0
170.18297	0.7
180.04405	1.5
181.02859	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87546	0.2
52.59760	0.2
66.26717	0.2
69.71064	1.4
82.99812	1.0
84.41947	0.2
95.80623	0.3
98.97560	0.3
101.00876	8.7
102.00957	0.6
102.96880	0.3
105.06950	0.3
119.01915	100.0
120.01993	6.3
120.97886	0.3
121.01669	0.7
121.02415	0.4
124.02474	0.2
134.99667	0.3
136.04533	0.2
137.02950	54.1
138.03040	3.5
142.03490	2.9
143.03641	1.8
144.03241	0.4
157.03442	0.3
160.04541	1.3
161.02974	1.9
161.04736	2.0
162.04294	0.7
178.80183	0.2
179.04008	4.7
179.05673	0.8
180.04059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	0.9
55.05509	8.9
56.05033	0.7
56.96555	0.5
65.03929	0.6
67.05505	1.3
69.03407	0.4
69.06723	0.5
69.07072	6.7
71.08496	0.8
72.04512	0.7
72.08961	1.5
73.02926	0.7
77.03945	0.3
79.05485	4.4
79.28888	0.3
81.07048	5.5
88.11259	2.3
89.11597	3.8
91.05476	14.8
93.07040	4.7
95.04969	1.1
95.08611	1.0
103.05461	3.0
104.06250	0.9
105.03387	0.4
105.07027	39.1
106.07349	1.1
107.08596	3.1
115.05453	2.4
117.07011	5.8
118.04178	0.7
118.06538	0.6
118.07891	0.6
119.08575	100.0
120.08088	4.6
120.08929	2.8
121.06435	1.1
121.10133	4.5
128.06227	1.0
130.07791	0.5
131.08540	5.8
132.09282	1.1
133.06462	1.9
133.10123	36.3
134.07115	0.7
134.10477	1.7
143.08575	1.0
143.12614	1.9
144.09360	0.6
145.10092	0.9
146.07248	0.7
146.10898	2.7
159.11710	2.1
161.05978	1.8
161.08208	0.9
161.09602	4.6
161.13252	38.8
162.05444	0.9
162.13602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.5
53.03940	1.8
53.06018	0.5
55.01872	1.5
55.05509	8.7
56.05032	1.7
56.96560	6.1
57.04543	0.7
58.99578	1.2
60.04511	0.6
63.23604	0.5
65.03925	0.9
67.05506	5.1
69.03422	1.2
69.07066	6.5
70.85722	1.3
72.04494	1.4
73.01255	0.6
74.06060	0.7
78.04700	0.7
79.05489	10.9
81.06582	1.2
81.07054	20.8
85.02909	1.1
90.04640	0.7
91.05477	21.6
92.05810	0.6
93.04537	1.2
93.07037	11.7
93.07613	0.6
95.04965	3.4
95.08598	2.6
103.05463	5.7
104.06269	0.8
105.03380	1.1
105.07028	100.0
106.06615	0.9
106.07355	2.9
107.04932	0.7
107.08556	3.5
115.05453	7.2
117.07014	12.4
118.04138	2.5
118.06529	1.8
119.08577	77.6
120.05602	1.7
120.08107	1.3
120.08931	2.3
121.06398	3.1
121.10155	1.0
123.03876	0.8
124.04676	0.7
127.04071	0.6
127.05881	0.6
128.03052	4.0
128.06233	2.9
128.53258	0.8
129.06972	0.6
131.02548	0.6
131.04933	1.2
131.08586	5.6
132.09357	1.3
133.06494	6.6
133.10127	35.6
134.01338	0.7
134.06056	1.1
134.07126	2.2
134.09610	0.7
134.10495	0.7
135.03847	1.0
137.03607	1.9
143.04933	1.0
143.05972	0.9
143.08565	2.7
144.04475	1.2
145.06450	1.2
145.10074	1.3
146.03600	1.6
146.07227	2.5
146.08301	0.6
146.10895	2.5
158.54381	0.6
159.11702	2.9
161.05972	7.3
161.07048	1.1
161.08151	2.6
161.09607	13.9
161.13257	51.1
162.05479	2.9
162.09042	1.1
162.13670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83808	0.3
56.96562	1.6
58.00755	0.4
63.26413	0.4
69.76756	1.8
69.77172	0.9
70.55106	0.4
82.99822	0.8
90.56298	0.4
98.97563	1.9
99.97910	0.8
100.02502	1.1
100.97215	0.5
101.00873	12.5
101.54783	0.4
116.98615	1.5
117.96141	0.5
117.99053	0.5
118.03510	4.3
119.01921	100.0
120.02040	1.6
121.01672	1.2
122.17788	0.4
124.02466	0.9
134.99683	0.9
135.99976	1.1
136.02742	2.0
136.04547	4.3
137.02959	47.8
138.03084	0.9
139.02652	0.7
142.03500	20.3
143.03642	1.2
151.82188	0.4
154.59100	0.6
160.04555	21.4
161.02942	1.8
161.04652	1.2
165.05052	0.8
178.05611	7.5
179.04008	4.1
179.05513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.8
58.04081	19.2
68.53139	0.7
70.06586	1.2
71.55664	0.7
71.56104	0.8
72.04514	100.0
72.08139	0.8
73.04851	1.9
84.08148	1.7
98.97581	0.8
99.66469	0.8
101.00916	1.5
118.05012	61.1
119.01910	10.1
119.05349	0.9
121.01699	1.2
130.08621	0.8
132.03290	1.0
137.02954	6.0
142.03494	2.3
144.10106	0.8
160.04564	1.6
160.07179	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	160.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.5
55.01879	0.7
55.05512	0.7
56.05032	8.5
56.05292	0.6
56.96564	3.4
57.03437	0.6
57.04561	4.3
58.04083	18.8
59.04990	0.4
60.04509	0.4
61.04049	0.6
62.02444	0.4
68.05019	0.5
69.03429	1.7
70.02959	0.8
70.06597	3.2
70.87474	0.7
71.03751	0.4
71.06934	1.4
72.04514	100.0
72.08147	0.9
73.02914	2.1
73.04861	1.0
74.02447	1.5
74.06089	2.4
74.07193	0.9
76.05123	0.6
82.02924	1.6
82.06567	1.7
83.00809	0.4
84.04494	1.2
84.05625	0.6
84.08146	0.9
85.02917	0.8
86.06068	3.1
86.09696	0.7
87.04469	9.3
88.03988	0.8
88.99202	0.5
89.04763	3.4
90.05553	0.4
96.08126	1.4
98.06059	0.4
98.97572	1.8
100.03990	1.1
100.07606	0.9
101.00867	0.7
101.06010	1.2
104.07090	2.3
106.06161	0.6
110.06037	0.5
114.03805	0.5
114.06664	5.2
114.07436	0.8
114.09167	2.6
115.05037	2.3
116.04733	7.3
116.98647	1.6
117.06568	0.3
118.05015	59.9
119.01899	4.3
119.05346	1.2
120.02013	0.3
123.26332	0.3
125.07125	1.2
128.98656	0.3
134.99684	1.7
137.02945	1.7
142.03525	0.8
142.08638	2.0
144.06567	0.7
159.31215	0.3
160.03687	1.0
160.07175	26.7
160.09631	1.4
160.10785	5.0
161.02919	0.5
177.00691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03936	0.7
55.05495	0.5
56.96555	1.0
65.03931	0.4
67.05499	4.9
70.64143	1.0
76.93335	1.7
77.03900	0.3
79.05494	2.3
81.07059	1.4
85.02867	0.4
88.47586	0.3
88.91381	0.3
91.05472	22.4
92.05798	0.7
93.07028	0.8
95.04979	0.3
98.97556	0.6
101.19790	0.3
103.05466	1.5
105.07020	26.2
106.07364	1.0
112.96369	0.3
113.02347	0.5
115.05453	7.8
116.06239	3.4
116.98595	0.6
117.07006	40.2
117.95958	1.3
118.07337	1.3
118.96745	0.8
119.08571	13.4
120.08955	0.3
128.06210	2.1
129.06995	27.4
130.06410	0.4
130.06619	0.3
130.07779	27.2
131.08554	100.0
132.08890	4.8
133.06540	0.3
134.99675	0.6
135.97006	1.0
141.01746	0.5
142.07745	2.7
143.08556	2.2
144.09323	26.8
145.09639	1.8
157.10112	5.7
159.08185	1.7
159.11673	91.7
160.12022	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
56.05031	0.6
56.96562	3.4
57.03419	0.8
57.07065	1.9
58.06593	0.3
58.77522	0.3
59.06117	0.8
59.93111	0.5
65.03925	0.7
67.05499	3.6
69.03432	0.4
70.06573	1.6
71.04951	0.4
71.06122	0.3
71.56920	0.4
72.04520	0.8
72.08148	0.4
76.58892	0.2
76.93354	1.1
79.05495	1.0
81.03425	0.4
81.07071	0.4
84.04488	0.4
85.02904	0.5
85.06515	0.4
85.07660	0.3
85.89234	0.2
87.00791	0.6
88.11272	0.3
91.05473	8.8
91.06014	0.6
94.94394	0.6
95.04951	0.5
97.02889	0.4
98.97579	2.7
99.05577	0.3
100.03962	0.5
100.07619	0.3
103.05444	1.4
103.07542	0.3
105.07020	32.0
106.07351	0.9
108.94102	0.3
113.07117	0.8
114.05531	0.7
115.05443	4.0
116.06252	2.5
116.98605	3.9
117.01872	0.5
117.05722	0.6
117.07015	17.3
117.95962	0.6
118.04977	0.2
118.06509	1.4
118.07356	0.8
118.96760	0.9
119.08568	10.1
120.08912	0.4
128.06184	1.7
128.98520	0.4
129.06992	16.4
130.06596	0.5
130.07780	9.2
131.04881	0.8
131.08554	43.1
132.08052	0.9
132.08913	1.4
134.99643	4.5
135.97029	0.8
140.00218	0.3
141.01813	1.0
141.06961	0.7
142.07759	2.6
143.08543	1.6
144.05679	1.2
144.09329	27.3
145.09645	1.2
146.99628	0.5
149.04910	0.5
153.00679	1.2
157.10127	6.3
158.01222	0.4
159.08128	4.7
159.11674	100.0
160.07555	1.2
160.12032	4.7
161.01169	0.4
169.07608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.62873	0.4
53.03938	1.0
56.05028	0.9
56.96553	3.3
58.06591	0.7
59.06119	1.5
65.03937	0.5
67.05498	3.5
69.53221	3.4
70.06586	2.8
71.95267	0.4
72.04505	1.5
72.08150	0.5
76.03966	0.5
76.93349	1.7
79.05491	1.6
81.07036	0.7
87.00820	2.7
91.05476	13.5
92.05797	0.4
94.94408	0.5
95.04936	0.9
96.04499	0.4
98.97581	4.5
99.04408	0.5
103.05456	1.3
105.07027	31.0
106.07343	1.1
113.02370	0.6
113.07114	1.6
113.07859	0.4
114.05468	0.7
115.05463	5.5
116.06267	2.9
116.98612	5.3
117.01846	2.0
117.05713	0.8
117.07018	25.2
117.95964	1.6
118.04971	0.5
118.06518	1.4
118.07355	1.3
118.52532	0.4
118.96800	1.1
119.08580	14.4
128.06210	2.5
129.06995	24.6
130.06628	0.7
130.07800	10.0
131.04910	1.4
131.08563	48.2
132.04428	0.8
132.08060	2.1
132.08920	1.5
134.99669	4.7
135.96928	0.9
141.01794	1.4
141.06921	1.3
142.06564	0.8
142.07759	2.4
143.08522	2.1
144.05685	1.7
144.09338	36.0
145.09688	1.3
153.00685	0.8
154.96521	0.5
157.10121	6.4
159.08136	4.5
159.11681	100.0
160.05086	0.5
160.07486	2.9
160.12038	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.42709	0.4
52.19727	0.4
56.96561	1.6
59.85528	0.4
62.08411	0.4
65.03921	1.0
67.05505	3.7
70.39343	1.2
79.05489	1.3
91.04903	0.4
91.05480	8.8
98.97572	4.7
103.05462	1.3
105.07024	37.4
106.07347	1.7
115.05438	3.4
116.06242	2.3
116.98622	3.8
117.07008	18.8
118.07337	1.0
119.08576	17.1
120.08930	0.5
128.06172	2.5
129.06998	24.1
130.07829	7.8
131.08560	40.5
132.08917	2.2
134.99675	2.9
141.01787	0.4
142.07773	3.3
143.08574	2.8
144.09332	43.8
145.09621	2.1
157.10126	6.8
159.11681	100.0
160.07588	0.5
160.12024	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.01228	0.4
53.03947	0.6
55.05516	0.7
57.03440	0.6
65.03950	0.6
65.72558	0.5
67.05511	4.0
69.50286	2.9
69.50690	0.6
70.06593	0.5
71.09007	0.4
72.04525	0.5
76.93362	2.6
79.05493	3.6
81.07056	3.3
91.05482	18.9
91.71700	0.4
92.05822	0.5
93.07059	1.6
94.94408	0.8
95.04969	0.5
100.07598	0.5
103.05470	1.2
105.07031	26.8
106.07387	0.6
113.02380	0.5
115.05453	7.2
116.06255	2.9
117.07021	47.3
117.95997	1.6
118.07308	0.7
118.96732	0.6
119.08585	9.2
128.06215	1.5
129.07005	20.1
130.07793	13.0
131.08571	80.1
132.08923	2.7
133.06503	0.5
134.99590	0.5
135.97025	1.4
141.01819	1.1
141.07011	0.9
142.07785	2.0
143.08565	1.2
144.05682	1.5
144.09343	21.6
145.09744	0.5
157.10138	5.0
159.08098	8.1
159.11693	100.0
160.09715	0.6
160.12039	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54168	0.4
53.03951	0.7
55.05484	0.4
56.96551	1.8
57.03421	0.4
58.07395	0.7
59.93084	0.9
63.21022	0.4
65.03924	0.5
67.05493	2.8
69.03430	4.2
71.01340	0.6
71.56683	0.5
71.57156	0.9
72.04496	0.8
72.42364	0.6
73.02898	0.4
76.92939	0.9
76.93366	6.5
79.05482	1.3
81.07028	0.9
85.02905	5.1
91.05474	13.8
94.94395	2.1
95.01308	1.6
95.04939	0.6
97.02882	2.1
97.32415	0.5
99.00797	0.5
100.07611	0.7
103.05454	1.3
105.07027	26.1
113.02366	0.7
115.05437	6.2
116.06257	2.6
116.98629	1.0
117.07014	21.6
117.95979	3.5
118.06541	0.9
118.07329	0.9
118.96767	2.7
119.08578	16.9
120.08869	0.7
123.00806	1.2
128.06239	3.7
129.07004	25.3
130.07834	6.1
131.04881	0.7
131.08563	39.8
132.08917	1.2
134.99632	1.2
135.97006	3.4
141.01836	2.5
141.07002	1.3
142.07767	3.1
143.08583	2.8
144.05688	3.5
144.09343	38.4
145.06335	0.6
145.09743	1.5
153.00714	0.6
157.10117	4.5
159.02934	0.8
159.08076	12.9
159.11684	100.0
160.09708	0.9
160.12013	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.09864	0.4
50.16280	0.4
55.05499	0.6
56.96555	2.0
56.96806	0.4
57.03413	0.6
59.93113	0.5
65.03923	0.7
67.05506	2.9
69.03137	0.4
69.03428	3.5
71.57837	0.8
72.04493	0.7
76.92939	0.7
76.93365	5.4
79.05469	1.6
81.07046	0.8
85.02910	3.5
91.04903	0.7
91.05476	13.3
93.07017	1.0
94.94396	1.8
95.01301	1.1
97.02892	2.1
98.97545	0.6
99.00857	0.5
103.05434	1.2
105.07023	27.3
106.07370	0.6
112.95409	0.5
113.02345	0.6
115.05463	4.5
116.06245	3.3
116.98595	1.1
117.07011	21.2
117.95969	3.2
118.06540	0.9
118.07281	0.8
118.96734	1.8
119.08571	17.2
120.08864	0.6
123.00787	1.5
128.06206	2.6
129.06998	23.9
130.07811	6.6
131.04912	0.6
131.08559	37.6
132.08009	0.7
132.08916	1.3
134.99638	1.4
135.96994	3.2
141.01825	1.6
141.06990	1.0
142.07788	2.7
143.08614	2.2
144.05695	1.8
144.09344	38.3
145.09723	1.7
153.96774	0.5
154.96449	0.7
157.10135	5.0
159.02885	0.6
159.08099	9.3
159.11681	100.0
160.07545	0.6
160.12036	5.0
170.28125	0.5
171.62794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99275	0.3
54.00637	0.3
55.05495	0.6
56.05013	1.0
56.96564	3.3
57.03434	0.6
57.07059	1.3
59.06126	0.7
59.93096	0.5
65.03957	0.6
67.05499	4.1
69.03417	0.4
69.07038	0.3
70.06574	1.2
70.12680	1.6
71.08670	0.4
72.04504	0.8
72.08132	0.6
76.93353	1.2
79.05480	0.8
81.07040	0.4
81.44971	0.3
84.04495	0.4
85.02925	0.3
86.06028	0.6
87.00817	0.6
88.11257	0.7
91.05479	8.5
94.94389	0.9
95.04956	0.5
95.08628	0.4
96.04449	0.4
97.02893	0.7
98.97585	3.3
99.04449	0.6
99.05519	0.3
100.07643	0.5
103.05458	1.8
105.07027	29.8
106.07340	0.8
109.83104	0.4
113.02328	0.6
113.07096	0.8
114.05531	0.8
114.18727	0.4
115.05458	4.0
116.06273	2.3
116.98616	3.5
117.07018	19.3
117.95975	1.2
118.06577	1.6
118.07291	0.7
118.96754	1.1
119.08578	10.4
120.08935	0.3
120.32607	0.3
128.06190	1.6
129.07004	17.1
130.06459	0.5
130.07802	8.6
131.04895	0.9
131.08568	44.4
132.05556	0.3
132.08040	0.9
132.08897	1.9
134.99660	3.8
135.97025	0.9
141.01814	1.2
141.07013	1.2
142.06683	0.6
142.07727	2.4
143.08553	1.8
144.05676	0.8
144.09343	29.7
145.06462	0.4
145.09671	1.3
153.00705	0.9
153.96721	0.4
157.10126	6.8
158.01196	0.4
159.08116	5.1
159.11687	100.0
160.05107	0.5
160.07529	1.1
160.12027	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	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
52.25367	0.5
55.05509	0.8
56.05027	0.6
56.96559	3.6
57.03443	0.6
59.06115	0.6
59.93127	0.7
67.05509	1.5
70.06587	1.5
70.81662	0.9
71.04993	1.3
71.06133	0.5
71.95268	0.6
72.04520	1.3
76.93356	2.3
79.05475	0.9
81.07055	2.3
87.00836	1.6
91.05482	6.7
95.04975	0.8
98.97587	3.7
100.07657	0.7
103.05464	1.3
104.04959	0.6
105.07024	5.8
106.06577	0.6
115.05447	20.5
116.04954	1.3
116.06239	1.9
116.98623	4.7
117.01840	1.7
117.05762	17.6
117.06999	6.3
117.95982	2.1
118.06596	2.3
118.96758	1.3
119.08581	1.9
128.06152	0.5
129.07018	4.5
130.06519	29.1
131.04942	1.5
131.06917	1.9
131.08560	12.0
132.08083	100.0
133.08405	2.5
134.05850	0.5
134.99658	5.6
135.97009	1.4
136.00058	0.5
140.04922	1.4
141.01794	1.8
141.07039	1.1
142.06511	19.0
142.07634	1.0
143.07208	1.4
144.05699	1.7
144.09340	4.2
153.00710	0.6
157.10092	1.0
158.08394	1.9
159.08069	5.3
159.09164	74.1
159.11649	15.2
160.05202	0.6
160.07559	13.8
160.09503	2.4
160.12073	0.7
167.50308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03939	0.8
54.03452	0.6
55.01871	5.6
55.05514	2.5
56.05037	2.8
56.96294	0.7
56.96562	9.1
57.03434	2.1
57.07063	1.0
57.93563	4.3
58.02952	1.0
58.06586	1.5
59.06125	2.5
60.04523	2.3
60.05645	1.2
60.82386	0.4
67.05501	1.0
68.05029	2.5
69.03419	5.3
69.07055	1.6
70.02950	0.4
70.06590	22.9
70.94941	0.4
71.04980	0.9
71.06110	0.6
71.14680	1.1
71.95258	1.0
72.04525	2.8
72.08154	11.4
72.93771	0.5
73.04039	0.8
74.02415	0.6
74.06076	0.7
75.05569	0.6
75.08855	0.4
75.94601	2.2
76.03993	0.6
79.05482	1.1
80.05024	0.8
81.03406	1.4
81.04522	1.1
81.05788	1.7
82.02937	0.6
82.06561	0.9
83.04964	0.6
83.06108	2.7
84.04501	9.9
84.08138	4.8
85.02907	0.8
86.06065	6.3
86.09710	0.5
87.04465	18.0
87.05585	1.9
88.07645	0.5
90.05645	0.4
91.05472	1.1
93.95647	1.0
94.06565	28.8
95.04935	0.7
95.06087	1.6
95.06825	0.8
95.07358	6.9
95.08593	0.5
96.04490	28.6
96.07564	0.7
96.08133	9.6
97.04027	0.5
97.06516	0.5
97.07644	0.7
98.06053	39.1
98.09695	0.6
98.96180	0.9
98.97583	15.0
99.04472	0.4
99.05566	2.4
99.06265	0.7
100.03977	0.8
100.07596	1.0
102.05543	1.6
102.09168	1.7
103.05452	1.5
105.07043	3.8
110.07158	0.8
111.05554	0.5
111.07938	0.4
111.54986	0.7
112.03999	0.4
112.07593	11.7
112.08427	0.6
112.08754	1.1
112.11241	2.2
112.55746	10.9
113.05918	1.9
113.07144	1.7
114.05527	22.7
115.05451	5.3
116.07086	2.6
116.97256	14.0
116.98605	22.0
117.05772	4.1
117.06564	0.8
118.06557	2.1
119.01896	1.0
119.07327	12.8
122.06036	8.5
123.05562	0.7
126.55426	1.1
128.07114	0.5
130.06546	3.0
131.04947	1.3
131.08461	0.5
131.99515	0.9
132.08084	13.6
133.07065	0.5
134.01283	0.6
134.02982	1.4
134.99655	28.2
135.06781	1.9
138.05487	2.3
138.67061	0.4
140.00206	0.6
140.07062	100.0
140.10692	5.1
140.11835	5.1
141.01793	1.1
141.06458	0.6
141.07404	1.8
141.10271	0.6
142.06525	1.8
143.07292	0.6
148.96208	1.7
152.96907	5.0
153.00713	8.0
153.96822	0.5
158.01277	1.7
158.04588	0.6
158.06049	1.0
158.08127	24.8
158.09589	10.6
158.11752	3.8
158.12904	4.3
158.15402	1.9
159.07959	0.6
159.09189	9.1
159.11496	1.3
170.97981	1.4
175.98560	1.0
179.08475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18214	0.6
56.96561	24.3
63.85355	0.7
67.13046	0.6
69.23904	0.6
70.30281	1.2
70.30671	1.4
71.95261	3.4
96.02984	0.6
98.97576	90.3
104.52992	1.1
116.00240	0.8
116.01963	1.6
116.98612	100.0
117.98972	0.6
118.03525	2.2
119.01903	5.8
121.01673	2.3
129.53328	0.7
134.02979	8.1
134.04791	2.5
134.99649	69.3
135.03146	1.5
137.02979	3.6
140.00195	3.1
149.03462	1.3
152.04041	1.9
152.05867	2.8
153.00708	13.2
158.01245	3.2
158.09674	0.9
176.02402	0.8
176.05910	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	157.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63692	0.2
50.97927	0.2
52.09769	0.2
53.03932	0.2
55.01863	0.8
55.05505	1.3
56.05032	0.7
56.96560	6.1
56.96846	0.3
57.03425	0.5
57.93564	1.2
58.06593	0.5
59.06129	0.4
60.04518	0.4
65.03937	0.2
67.05486	0.4
68.05028	0.8
69.03412	1.0
69.04543	0.2
69.07054	0.7
70.02948	0.4
70.06587	67.7
70.95862	1.3
71.01371	0.3
71.04996	0.2
71.06916	0.9
71.56341	0.3
71.95284	0.3
71.95907	0.8
72.04517	0.4
72.08147	1.1
72.93787	1.7
73.02895	0.3
73.93826	0.6
74.93816	0.7
75.94594	0.5
77.47693	0.2
79.05449	0.2
81.03410	0.2
81.04546	0.3
81.07001	0.2
81.81841	0.2
82.06583	0.4
83.01326	0.3
83.04986	0.5
83.06117	1.0
84.04478	0.6
84.06396	0.2
84.08132	0.6
85.02902	0.3
86.06059	0.3
86.09698	1.4
87.04459	0.5
87.09216	1.3
88.96898	0.5
89.33964	0.2
89.94427	0.2
89.96903	0.3
90.94815	0.5
93.95647	0.3
94.06549	0.4
95.04939	0.3
95.06070	0.3
96.08190	0.2
97.02876	0.8
97.06519	0.6
97.07645	5.0
98.02351	0.2
98.06044	3.2
98.97581	5.1
99.04475	0.3
99.05569	0.5
99.09225	0.2
100.07590	0.2
101.06023	0.5
102.09191	0.3
102.22868	0.2
103.05460	0.7
106.97920	0.3
109.02830	0.2
110.01328	0.2
110.07148	0.9
111.00776	0.4
111.04452	0.5
111.04852	0.2
111.05546	1.9
111.06820	0.3
111.07487	0.8
111.09186	2.9
112.03893	0.2
112.07614	1.5
112.08727	0.3
112.98769	0.4
113.06054	0.2
113.07072	0.2
114.05542	0.3
114.09112	0.2
114.10252	0.2
115.08684	100.0
115.96461	0.2
116.07076	0.7
116.08374	0.3
116.09048	1.8
116.97246	4.4
116.98596	7.4
118.03503	0.3
119.01872	0.4
125.02363	0.3
128.06215	0.2
128.98573	0.5
129.06998	0.5
130.06512	9.8
130.99763	0.2
131.06876	0.2
131.99518	0.2
132.95821	0.6
133.95998	0.7
133.97475	0.2
133.98849	0.3
134.01233	0.4
134.02992	0.7
134.95747	0.3
134.99648	10.9
136.04500	0.3
139.04993	0.2
139.08635	3.1
139.98865	0.2
140.00180	0.3
140.07071	0.5
140.08156	0.4
140.11716	0.2
142.07726	0.3
146.99632	1.3
148.96185	0.4
150.96875	2.3
151.97098	3.2
152.53786	0.2
152.96922	1.6
153.00671	2.4
156.06799	0.3
157.01366	0.4
157.04941	0.4
157.06177	0.6
157.07593	4.1
157.09656	3.5
157.10880	0.3
158.01245	0.8
158.06015	1.7
158.08066	0.5
158.09575	1.5
158.11676	0.3
158.12920	0.3
165.00731	0.3
169.97844	0.2
170.97931	0.5
174.98921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.3
55.01865	0.9
55.05510	0.4
56.05032	0.5
56.96562	1.5
58.06599	5.5
60.75384	0.3
61.19269	0.3
65.87663	0.3
68.05041	0.3
70.06590	43.5
71.04985	0.4
71.06929	0.8
71.56316	0.4
72.08155	0.8
73.02895	0.3
81.03377	0.3
82.06576	32.8
83.06900	0.5
84.06432	0.8
84.08141	1.1
85.07642	0.3
87.09214	2.1
94.04845	0.6
94.06548	0.4
95.06091	0.4
96.06394	0.5
97.07655	0.7
98.06062	2.7
98.09680	0.4
98.97593	0.9
100.07632	0.4
110.07190	1.5
111.07514	7.0
111.09197	100.0
112.07563	0.8
112.08724	4.8
112.09540	1.7
113.07132	0.3
114.09171	0.6
115.08684	5.4
116.07075	1.6
116.98614	0.9
119.01920	0.7
121.01617	0.3
126.01859	0.9
133.01671	0.5
133.03441	0.6
134.99626	0.4
139.08604	0.4
146.99626	0.4
155.78897	0.3
157.09718	71.0
158.09123	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	157.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72742	0.2
55.01872	2.0
55.05494	0.4
56.02199	0.2
56.05019	0.5
56.96559	2.3
57.03428	0.2
58.06594	6.3
67.05485	0.3
68.05016	0.5
69.03407	0.4
69.41479	0.6
69.41902	1.5
70.02943	0.7
70.06583	44.2
71.01344	0.2
71.04992	0.5
71.06914	0.6
71.95249	0.3
72.04545	0.2
72.08148	0.6
82.06570	35.1
83.05051	0.3
83.05628	0.4
83.06096	0.8
83.06907	0.4
84.06426	1.0
84.08129	2.0
85.07645	0.3
86.09689	0.5
87.04462	0.4
87.09211	2.2
88.07625	0.2
90.15734	0.2
93.04521	0.5
94.04861	0.6
94.06520	0.3
95.06058	0.4
96.06403	0.8
97.02875	0.3
97.04016	0.3
97.06526	0.2
97.07655	0.7
98.06038	2.3
98.97583	1.2
100.07622	0.3
110.07170	2.4
111.07542	9.6
111.09189	100.0
112.07598	2.3
112.08726	2.6
112.09525	2.1
115.08678	6.3
116.07084	1.5
116.98602	1.1
119.01886	0.7
126.01866	1.2
128.98662	0.2
129.02922	0.4
130.06497	0.6
130.08583	0.3
133.01686	0.3
134.83575	0.2
134.99638	0.8
139.08614	0.3
140.07028	0.4
146.99718	0.4
157.09706	66.3
158.08051	0.5
158.09254	1.5
158.10097	0.9
160.97563	0.3
161.35060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.05028	1.1
56.96562	0.9
66.65879	0.1
68.05019	1.0
70.03390	0.4
70.06590	1.2
81.04542	1.1
82.05312	2.7
83.06095	13.3
83.28978	0.1
84.06414	0.1
88.02402	0.1
88.96848	0.1
93.04519	9.3
95.06081	7.6
96.06411	0.1
98.06044	0.1
98.09679	0.1
98.97577	0.3
99.95477	0.1
101.00849	0.2
102.07870	0.1
107.98642	0.1
110.07153	100.0
111.05549	0.6
111.06829	0.3
111.07487	2.3
112.08705	0.3
116.98631	0.2
118.03547	0.2
119.01917	1.9
119.02713	0.2
120.01945	0.1
128.00160	0.1
131.01900	0.1
132.05049	1.7
133.03488	0.2
133.05159	0.2
134.99693	0.2
137.02959	0.8
138.06671	0.2
139.05005	0.1
147.03777	0.4
150.06105	1.3
150.96893	0.3
151.04526	0.2
151.06195	0.2
155.06555	0.1
156.07671	5.9
157.08025	0.1
165.04779	0.3
174.06122	1.0
174.98578	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
54.03470	0.2
55.01861	0.3
55.05479	0.1
55.93520	0.2
56.05032	1.2
56.96561	6.5
57.03411	0.2
58.06597	0.4
58.99852	0.1
60.95853	0.1
60.99620	0.1
66.03427	0.1
68.05022	1.2
69.03413	0.3
69.04548	0.1
70.03594	0.4
70.06589	3.1
70.95859	2.4
70.98096	0.1
71.01340	0.1
71.95258	0.1
72.08138	0.3
72.93782	2.1
73.02908	0.2
74.09714	0.2
74.97611	0.2
75.01028	0.1
77.00889	0.1
78.52963	0.2
81.03427	0.1
81.04536	1.2
82.05315	3.1
82.06574	2.2
83.06097	14.1
83.50543	0.1
84.01552	0.2
84.04460	0.1
84.06438	0.2
84.08128	0.1
85.01466	0.1
85.02895	0.2
85.07671	0.2
86.06077	0.5
86.09708	0.1
87.09230	0.1
88.96892	0.8
88.99158	0.1
90.94815	0.5
93.02098	0.4
93.04522	9.3
94.04872	0.2
95.01347	0.1
95.01902	0.1
95.06084	8.0
96.01532	0.1
96.04515	0.1
96.06400	0.1
97.01437	0.1
97.02872	0.1
97.96798	0.1
98.06040	0.3
98.21407	0.1
98.97581	0.4
99.04458	0.1
100.02492	0.4
101.00883	0.7
103.02479	0.3
105.02045	0.2
106.97926	0.1
108.95839	0.1
109.52865	0.1
110.07156	100.0
110.97551	0.6
111.05563	0.8
111.06828	0.3
111.07510	2.0
111.09189	5.4
111.51798	0.3
111.98462	0.7
112.08733	0.1
113.96410	0.2
114.05523	0.1
115.02418	0.1
115.08681	1.0
116.98628	0.3
118.01161	0.1
118.03513	0.3
119.01912	5.8
120.01979	0.5
120.52329	0.3
121.01668	0.1
121.03497	0.3
126.01868	0.1
128.03445	0.1
128.08211	0.1
128.98595	1.8
129.99542	0.5
130.06335	0.1
131.00157	0.1
131.01913	0.2
131.97453	0.1
132.01978	0.4
132.05057	0.7
132.95819	1.8
133.01643	0.4
133.03450	1.0
133.05144	0.1
134.99623	0.1
137.02942	2.6
138.03036	0.2
138.05510	0.2
138.06567	0.1
138.09146	0.1
139.05022	0.2
142.03491	2.1
142.96420	0.1
143.03532	0.1
146.99635	3.1
147.03720	0.2
148.02824	0.1
149.01163	0.4
150.03058	0.1
150.06064	0.5
150.96877	5.0
150.98889	0.1
151.02682	0.1
151.04538	0.5
151.06229	0.1
151.97165	0.1
155.97401	0.2
156.03114	0.1
156.04126	0.4
156.07675	6.2
156.10135	0.3
156.11232	0.1
157.09711	3.7
160.02177	0.1
160.04559	0.8
160.97586	0.2
161.04631	0.1
165.00723	0.9
165.04938	0.1
167.02242	0.2
168.97910	0.4
170.01215	0.2
173.98482	0.3
174.06052	0.3
174.99129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	Histidine
Peak:m/z	Relative Intensity
52.82818	0.2
54.03476	0.5
55.01873	4.6
55.05508	0.5
55.93525	0.4
56.05038	2.2
56.96566	8.3
57.03432	0.6
57.23211	0.2
58.02947	0.3
58.06596	2.5
60.04506	0.4
60.05644	0.8
60.95846	0.3
67.05495	0.4
67.76649	0.2
68.05022	1.4
69.03428	1.4
69.04556	0.4
69.07065	0.3
70.02945	0.5
70.06590	15.4
70.42424	0.6
70.95860	4.4
70.98114	0.4
71.04997	0.5
71.95268	0.8
72.04516	0.3
72.07791	0.2
72.08147	1.0
72.93787	3.7
72.96033	0.3
73.02910	0.7
77.00889	0.2
79.05479	0.3
80.05017	0.2
81.03401	0.2
81.04545	1.2
82.04852	0.3
82.05315	2.9
82.06578	15.3
83.01337	0.4
83.05020	0.4
83.06100	12.8
83.50532	0.3
84.01568	0.3
84.04505	0.8
84.06414	0.3
84.08125	0.6
84.99252	0.3
85.02892	0.3
85.07664	0.5
86.06068	7.0
86.09719	0.2
87.04469	0.3
87.09206	0.5
88.96889	1.6
90.94823	1.0
91.05497	0.2
93.02129	0.3
93.04526	9.8
93.07041	0.3
94.06557	0.3
95.01295	0.2
95.05099	0.3
95.06089	7.7
95.06701	0.4
96.04484	0.6
96.08148	0.2
97.04018	0.3
97.06535	1.2
97.07630	0.2
97.96806	0.3
98.03613	0.2
98.06041	1.0
98.97579	2.0
100.02488	0.7
100.07606	0.5
101.00883	0.5
101.02412	0.2
103.02425	0.6
106.97944	0.3
108.95876	0.2
109.05245	0.2
110.07164	100.0
111.05594	1.6
111.07585	2.1
111.09198	42.3
111.51794	0.4
111.98469	1.3
113.10813	0.2
113.96428	0.3
114.05534	0.4
114.09196	0.2
115.02449	0.3
115.08689	2.4
115.97819	0.3
116.98617	1.7
118.01196	0.2
118.03516	0.6
119.01916	3.9
120.01937	0.3
120.05620	0.3
120.52348	0.4
121.01691	0.2
121.03475	0.3
121.05081	0.3
126.01904	0.2
128.03413	0.4
128.07178	0.3
128.08197	3.6
128.09172	0.2
129.99509	1.1
131.00034	0.2
131.01888	0.5
132.02043	0.3
132.05058	1.2
132.95828	3.1
133.01640	0.8
133.03458	1.4
134.99641	1.3
137.02951	1.9
138.05472	0.6
138.06607	0.8
138.09129	0.6
139.05019	0.3
142.03474	1.4
142.96516	0.7
146.99686	0.4
147.03732	0.3
148.02837	0.2
150.06114	1.1
150.96884	10.1
151.02701	0.4
151.04509	0.3
151.97003	0.2
155.97447	0.3
156.02957	0.3
156.06567	0.4
156.07674	7.0
156.08728	0.3
156.10194	2.6
156.11369	0.5
157.01372	0.3
157.09723	29.5
160.04489	0.4
160.97580	1.5
168.97871	0.3
173.98482	0.7
174.00745	0.2
174.06136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43563	0.2
53.03941	0.5
54.08161	0.2
55.01858	0.3
55.05507	6.3
56.05033	1.3
56.96551	0.8
57.03422	0.4
57.07077	1.3
58.06590	0.3
63.86870	0.2
65.03928	0.5
67.05497	2.6
68.05010	1.0
68.96320	0.7
69.03423	1.0
69.04541	0.4
69.07058	0.4
70.06587	1.6
70.94243	0.7
71.04987	0.6
71.06084	0.3
71.08627	0.2
71.56435	0.2
71.56837	0.3
71.94088	0.4
71.95235	0.2
72.04519	0.3
72.08117	0.4
72.93781	5.8
79.05486	2.6
80.04994	0.5
80.05785	0.2
81.03419	0.4
81.04530	0.3
81.07050	9.7
82.06580	2.0
82.07347	0.3
83.04975	1.5
83.06086	0.4
83.07346	0.7
83.08617	1.5
84.04497	0.7
84.08137	0.9
85.06524	0.3
86.97356	0.2
87.04471	0.3
88.95276	0.3
90.94825	2.1
91.05483	1.2
93.05794	1.1
93.07034	0.5
94.06551	0.5
95.04946	1.2
95.06093	0.9
95.08599	1.9
96.04486	1.1
96.08112	0.4
97.05276	3.5
97.06514	0.4
97.07642	0.3
98.06059	2.9
98.09690	2.3
98.98435	0.7
99.04439	0.5
108.04470	0.3
108.08107	3.6
108.08788	0.4
108.95857	0.6
109.02857	0.6
109.06506	7.2
109.07616	1.2
109.10138	1.7
109.98988	0.2
110.06033	6.0
111.04448	1.5
111.06812	5.4
111.07545	0.3
111.09203	0.6
112.01572	0.2
112.03985	0.2
112.04803	0.4
112.08799	0.4
113.05980	0.9
113.07114	0.5
113.10753	0.2
113.96384	2.7
119.08532	0.2
124.03969	0.2
124.07567	0.6
125.08387	1.1
126.05482	0.2
126.09150	3.9
127.03926	0.9
127.07563	0.4
127.99998	0.3
129.05472	0.2
130.96291	0.4
131.96332	0.4
131.97420	3.8
136.03940	0.2
136.07579	1.1
136.08498	0.3
137.02341	0.3
137.06026	0.4
137.07065	0.4
137.09602	0.8
137.10674	0.3
138.05499	0.6
139.06271	6.4
140.06635	0.3
148.97372	2.0
149.97156	0.7
152.07063	0.6
154.08617	100.0
154.98988	0.6
155.03358	0.6
155.07091	1.7
155.08952	3.7
155.10364	0.4
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
52.22206	0.7
53.03936	1.9
54.68907	0.7
55.01864	2.2
55.05504	8.7
55.60015	0.8
55.93510	2.4
56.05036	1.6
56.96548	1.7
57.03436	2.3
57.07071	100.0
57.13123	0.8
58.06588	0.9
58.07402	2.2
59.06108	1.3
60.04527	0.9
60.05635	2.5
63.88076	0.9
65.03931	3.5
65.19739	0.8
65.59305	0.8
67.01904	1.0
67.05496	13.3
68.05015	3.3
69.03414	3.2
69.04585	0.9
69.07062	4.8
70.06585	1.4
70.95859	28.4
71.04980	3.1
71.06097	1.0
71.57092	1.6
72.04495	1.6
72.08115	1.0
72.93783	77.1
73.93832	1.8
78.63223	1.0
79.05484	3.4
81.03416	2.8
81.04545	0.9
81.07046	9.9
82.06568	2.4
83.04980	9.5
83.06110	1.9
85.06538	9.9
87.05612	0.9
88.96891	10.6
89.02388	0.9
90.94816	25.8
91.05489	1.6
93.03368	0.9
93.07021	1.0
94.06556	1.1
95.01347	1.2
95.04955	6.4
95.06049	1.0
95.08594	6.5
96.05616	2.0
96.08116	3.3
97.03966	1.0
97.06495	1.9
97.07635	1.6
98.07158	2.3
98.98448	5.2
99.04449	4.0
99.08055	1.3
106.97937	1.7
108.95853	5.8
109.02853	3.1
109.06510	5.4
109.10139	5.8
110.06059	1.4
110.07159	7.9
111.04427	7.0
111.08044	1.8
111.09219	1.1
111.98466	9.2
112.01555	1.2
112.08702	1.7
113.02357	3.7
113.05991	5.9
113.07030	0.9
113.08260	1.0
113.96393	21.4
114.05467	1.1
114.06641	2.8
114.10343	0.9
123.04420	1.1
127.03894	5.4
127.07528	2.5
129.05492	1.4
129.99490	7.6
131.97430	24.4
132.95819	20.9
132.97462	0.8
137.02431	0.9
137.05951	2.7
137.07072	1.0
137.09596	2.3
138.05513	1.2
138.06589	2.5
138.10252	1.9
140.04657	1.9
141.06966	1.2
149.97220	4.0
150.96877	71.7
153.01062	0.9
154.90663	0.9
154.97806	0.8
154.99042	2.6
155.03362	3.5
155.05920	1.7
155.07043	12.3
155.08275	1.3
155.10664	1.1
155.12894	3.2
155.14291	3.5
155.97450	3.3
156.06552	1.1
156.07922	3.2
168.97952	3.9
173.98473	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00315	1.8
53.03944	4.9
55.01868	6.6
55.05510	26.9
56.05023	1.8
56.96565	7.6
57.03424	4.0
57.07061	3.9
59.05006	8.4
65.03939	55.9
66.04272	2.3
67.01863	25.4
67.05502	18.2
68.05016	3.4
68.96338	3.3
68.99794	15.7
69.03429	11.5
69.04523	1.9
69.07065	21.6
70.03746	1.3
70.06592	2.8
70.94255	13.2
70.95869	2.1
71.04642	2.2
71.04993	24.0
71.06105	1.4
71.57195	2.2
71.94092	4.4
71.95258	4.9
71.99281	1.3
72.04517	3.5
72.08148	3.1
73.06559	16.1
75.04466	1.4
79.01850	1.5
79.05495	37.2
80.05004	3.3
80.05798	1.6
81.03412	6.2
81.07053	85.2
82.04182	1.8
82.06582	2.2
82.07378	1.9
83.01339	3.4
83.04979	28.9
83.06094	1.4
83.08633	3.9
84.04501	1.9
85.02934	1.7
85.06538	2.7
88.95300	6.3
91.05486	18.5
92.99791	1.6
93.03413	7.8
93.07040	47.8
94.06554	2.4
95.04967	24.2
95.06087	3.7
95.08599	14.5
96.04494	1.6
97.02874	8.2
97.06534	25.6
105.04532	1.6
105.07046	5.2
107.04951	10.6
107.06054	1.6
107.08595	46.5
108.04487	4.0
108.05636	1.5
108.08179	1.6
109.02893	2.1
109.06534	8.3
109.07666	2.3
109.10146	12.9
110.03664	11.5
110.07230	3.2
110.09735	1.8
111.00837	1.5
111.04440	100.0
111.08074	16.2
111.09190	2.9
111.96871	5.1
112.04767	2.0
112.08769	6.9
116.81866	1.4
121.02869	1.5
121.06512	5.0
123.04421	3.8
123.08069	2.0
125.02332	3.4
125.06002	26.4
125.09619	4.4
126.05521	3.4
126.10309	1.2
129.97931	6.9
130.63931	1.4
130.96320	2.5
135.04416	3.8
135.08063	9.6
135.11708	18.2
136.03934	10.9
136.07581	7.1
136.08615	2.4
138.03134	2.9
138.06786	2.9
148.97374	9.0
149.01187	1.5
152.06262	2.2
153.01831	28.7
153.05496	20.1
153.06706	5.4
153.09117	13.3
153.11340	8.7
153.12749	20.9
154.04938	8.4
154.08563	2.7
154.09735	3.8
163.18835	1.4
166.98438	1.4
171.02896	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	153.1273
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
51.02386	1.0
51.44000	0.7
53.03933	3.3
55.01861	3.3
55.05262	1.2
55.05510	16.3
56.96553	1.2
57.03434	6.4
57.07087	3.7
59.04984	2.1
65.03940	12.3
67.05501	49.2
68.99779	0.9
69.03408	3.4
69.07065	69.9
70.07397	2.0
70.92361	1.3
70.92697	1.6
70.94248	3.0
70.95846	0.9
71.04993	4.1
71.94090	5.7
71.95270	7.1
79.05489	39.3
81.03405	1.0
81.07051	49.2
83.04969	9.7
83.08619	8.7
85.02895	1.3
85.06529	2.8
88.95290	2.0
91.05479	10.5
93.03394	2.4
93.07038	60.4
94.07355	1.1
95.04957	5.3
95.08602	25.5
96.08931	1.0
97.02913	0.9
97.06526	25.5
105.07021	2.7
106.96311	0.9
107.04929	2.1
107.08590	66.0
108.04478	2.0
108.08884	1.5
109.02791	0.8
109.06519	3.5
109.10152	41.9
110.03677	4.6
110.10509	1.5
111.04453	21.6
111.08076	8.9
111.11719	1.0
111.96893	0.8
112.04778	1.7
112.96687	0.9
123.04351	0.9
123.07182	0.8
125.05978	8.9
125.09599	1.1
126.05505	1.5
126.06361	2.1
129.97858	1.5
130.97728	1.5
133.10136	1.0
135.04405	1.2
135.08075	1.6
135.11684	100.0
136.03917	6.3
136.07578	1.6
136.12004	3.3
137.05983	1.0
138.03113	1.6
138.05035	1.8
148.97362	1.4
153.05467	7.4
153.06416	1.1
153.07605	4.1
153.09134	4.6
153.12737	66.0
154.04950	4.7
154.08633	1.1
154.13145	1.6
154.15910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02372	1.4
53.03934	3.5
54.03455	3.5
55.01872	12.1
55.02990	1.9
55.05506	31.8
56.05013	4.0
56.96550	6.9
57.03433	6.6
57.04543	2.1
57.07060	2.0
58.06579	1.5
59.04979	4.1
59.06116	1.6
65.03936	51.1
66.04253	2.0
67.01857	1.5
67.02971	3.4
67.05497	27.7
68.05015	8.0
68.96326	7.0
68.99787	1.3
69.03423	17.6
69.04545	5.6
69.07056	12.8
70.06580	9.9
70.94257	9.8
71.01357	5.2
71.04977	4.9
71.06097	2.0
71.56221	1.7
71.95286	1.3
72.04498	1.5
72.08151	8.0
79.01837	3.6
79.05489	77.1
80.04983	4.1
80.05798	3.0
81.03410	19.5
81.04531	7.7
81.06583	2.0
81.07046	35.0
82.02924	1.1
82.06563	4.7
83.01366	1.3
83.04973	25.4
83.06088	5.7
83.08611	6.4
84.04491	2.2
84.08119	3.8
85.02885	3.2
85.04035	1.1
85.06515	1.2
85.07642	2.4
86.97359	2.2
87.04472	1.6
88.95285	3.0
91.05473	40.4
91.94752	1.0
92.05005	1.3
93.03407	7.5
93.05798	1.7
93.07035	39.8
94.04214	1.8
94.06544	4.9
95.04964	44.6
95.06050	10.3
95.08606	14.5
96.04470	3.7
96.05598	3.9
96.06844	1.2
96.08112	2.8
97.02869	4.9
97.03982	2.7
97.05246	2.9
97.06514	18.4
97.07632	4.4
98.06024	4.6
98.07162	2.0
98.09654	3.3
99.05567	1.6
104.98363	1.4
105.07019	15.9
106.96290	2.5
107.01300	1.7
107.04945	21.2
107.06094	2.2
107.08583	74.5
108.04458	2.4
108.05573	4.2
108.08096	6.4
108.08920	4.5
109.06506	36.6
109.07614	12.4
109.10153	12.4
109.98948	1.9
110.03639	9.5
110.06030	6.3
110.07165	2.6
110.08458	1.2
110.10506	1.1
111.04434	83.9
111.05586	2.2
111.06876	5.6
111.08059	19.9
111.09202	6.3
111.96854	3.0
112.04813	2.5
112.07580	2.7
112.08717	12.1
113.05860	12.6
113.10719	1.1
115.05448	9.7
117.06213	1.9
117.07008	21.1
118.07332	1.2
119.06056	3.4
121.02820	1.9
121.06440	1.7
123.04430	3.3
123.05537	1.1
123.08090	7.3
124.07555	1.3
125.02333	1.6
125.05984	25.9
125.08303	1.4
125.09631	11.1
126.05504	2.7
126.06605	2.5
126.09133	4.1
126.10226	4.6
127.05068	2.4
127.99956	3.3
129.97881	3.0
130.96281	5.2
135.04442	6.2
135.08047	60.0
135.09109	2.1
135.11661	4.8
136.03903	9.1
136.04889	1.8
136.07538	4.8
136.08620	7.3
137.05936	1.4
137.07042	1.7
138.03117	4.0
138.05592	1.8
138.06728	12.8
139.06256	6.2
143.03377	4.2
148.97342	21.8
149.01210	1.6
153.01799	14.5
153.04131	1.3
153.05441	23.1
153.06541	4.6
153.07709	4.3
153.09109	33.7
153.10197	2.9
153.11322	20.5
153.12695	8.6
153.14639	1.4
154.04967	7.3
154.08617	100.0
154.09673	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02367	0.7
53.03945	2.4
54.03462	0.5
55.01863	1.6
55.05499	1.9
56.05024	2.0
56.05843	0.5
56.96563	6.4
57.03434	1.1
58.06577	0.5
60.04535	0.6
61.04757	0.4
65.03615	0.5
65.03939	8.0
67.02985	1.1
67.04231	0.4
67.05491	3.3
68.05026	4.2
68.70131	0.4
69.03410	1.6
69.04551	1.4
69.07050	1.7
70.02942	0.8
70.06587	4.9
70.94254	0.4
70.96169	1.2
72.04499	0.5
72.08159	0.7
77.03923	0.6
78.03442	0.9
79.01814	0.7
79.05491	24.5
80.05020	5.5
80.05785	1.0
81.03408	3.2
81.04529	1.6
81.05804	1.5
81.07042	2.4
82.06577	3.6
82.07388	0.6
83.04974	2.3
83.06091	2.5
83.14070	0.5
84.04498	1.1
84.08137	1.0
84.96046	0.5
85.02895	1.3
89.03910	0.8
90.70757	0.4
91.05468	2.3
92.05817	0.6
93.03402	1.1
93.05805	0.6
93.07021	2.4
94.04173	0.6
94.06562	3.8
95.04961	5.3
95.06083	1.7
95.07336	1.2
95.08616	1.5
96.04498	2.7
96.08128	5.3
97.02910	0.8
97.06522	1.9
97.07648	5.0
98.06023	0.6
98.97567	1.1
103.53365	0.4
105.04498	0.7
106.06554	32.4
107.04951	100.0
107.08600	1.6
108.04471	2.9
108.05301	2.3
108.08163	2.4
109.02885	6.8
109.05257	0.7
109.06494	2.0
109.07631	5.8
109.10166	0.9
110.03581	2.5
110.06052	2.5
110.07169	1.2
110.08455	1.0
110.09697	0.8
111.04440	13.8
111.05569	1.2
111.08064	1.1
111.09216	3.0
112.06339	0.6
112.07607	0.4
112.09970	2.0
113.05869	2.0
116.98631	1.4
118.06546	0.4
121.02859	0.5
123.04416	2.5
123.06807	0.6
123.09159	0.8
124.02248	0.4
124.03969	2.2
124.04755	0.7
124.07590	13.1
124.08508	0.8
124.11242	0.7
125.02443	0.5
125.05991	5.4
125.06928	0.8
125.07924	0.5
125.09581	0.7
125.10737	0.5
128.04568	1.3
128.98615	1.3
133.01720	0.6
134.06021	21.6
134.07109	1.8
134.09688	0.9
134.99657	1.9
135.04413	52.6
135.08083	1.2
135.09178	3.8
136.04761	1.1
136.07581	1.2
137.08359	1.3
137.09428	0.7
146.97446	0.9
146.99670	3.4
147.05138	0.5
150.09108	0.7
151.03909	5.1
152.01685	3.0
152.03485	4.0
152.04527	0.8
152.05696	11.4
152.07066	28.3
152.08183	3.7
152.10686	8.8
152.11826	4.7
153.01964	0.7
153.04083	6.0
153.05467	3.3
153.07545	1.5
153.09116	1.2
153.10226	0.9
153.11340	1.0
153.12766	0.8
153.13879	0.8
156.91222	0.4
165.00662	0.5
170.04483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01405	0.3
55.02986	0.8
56.96550	1.7
65.03929	0.7
69.85049	0.6
69.85447	1.5
74.10801	0.3
80.02493	0.4
82.04058	0.9
107.03540	0.8
109.05105	2.8
110.03516	15.0
110.06013	0.4
110.97578	0.3
111.04454	0.7
124.07561	0.3
128.04550	9.1
134.04596	2.2
134.05992	1.1
135.03006	17.1
136.01401	0.7
136.03304	0.4
137.78886	0.3
146.99683	0.9
152.05658	100.0
153.04057	53.3
153.06053	1.9
153.10216	0.3
154.02489	0.8
154.04366	1.0
166.85197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
53.01405	0.3
55.02986	0.8
56.96550	1.7
65.03929	0.7
69.85049	0.6
69.85447	1.5
74.10801	0.3
80.02493	0.4
82.04058	0.9
107.03540	0.8
109.05105	2.8
110.03516	15.0
110.06013	0.4
110.97578	0.3
111.04454	0.7
124.07561	0.3
128.04550	9.1
134.04596	2.2
134.05992	1.1
135.03006	17.1
136.01401	0.7
136.03304	0.4
137.78886	0.3
146.99683	0.9
152.05658	100.0
153.04057	53.3
153.06053	1.9
153.10216	0.3
154.02489	0.8
154.04366	1.0
166.85197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.27357	0.9
52.87942	0.8
53.03946	5.1
55.01860	2.0
55.05505	8.1
56.96559	1.3
65.03938	78.7
65.19884	0.9
66.04271	2.3
67.05507	14.3
69.03398	1.5
69.07060	11.4
69.54491	5.0
69.54910	2.7
79.05489	33.9
81.03404	1.2
81.06584	2.1
81.07050	39.5
83.08616	1.9
91.05467	17.3
92.06281	1.2
93.03394	17.1
93.07037	45.5
94.07387	2.4
95.04974	7.9
95.08591	6.8
98.03654	3.1
103.05477	2.4
105.04491	1.4
105.07024	5.6
107.04946	19.2
107.08585	32.1
109.06561	2.1
111.04436	16.2
119.08569	1.5
120.05714	3.7
121.02857	64.3
121.03960	15.1
121.06508	2.2
121.10130	9.3
122.03206	4.4
124.16901	0.8
149.02335	100.0
149.09612	7.7
149.13228	15.8
150.02657	6.5
150.03680	1.1
150.05508	1.4
167.03362	2.4
169.03510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02394	1.1
53.03923	3.7
55.01858	3.9
55.05492	1.4
60.65919	0.8
65.03937	77.6
66.04259	1.5
67.05478	2.5
69.03413	1.3
69.07058	1.8
69.70096	2.0
69.70513	5.0
70.96358	0.8
71.36366	0.9
78.04753	0.8
79.05490	24.2
81.07040	3.8
89.03946	1.7
91.05476	28.4
93.03394	17.8
93.07036	38.5
95.04971	7.5
95.06011	1.1
98.03648	3.5
103.05444	5.8
105.04523	1.6
105.07022	27.4
106.07787	3.0
107.04919	2.1
107.08588	6.2
108.15817	0.9
109.06508	3.7
110.08385	1.4
111.04438	19.0
115.05484	1.1
116.06213	2.3
117.03388	1.0
119.08585	5.0
121.02858	71.6
121.03962	14.6
121.06482	10.5
121.10136	19.1
122.03204	3.3
122.06023	1.3
122.07115	1.5
123.08041	2.8
131.08585	2.5
133.07538	1.3
149.02336	100.0
149.05994	8.8
149.07048	1.3
149.09613	67.6
149.13303	1.4
150.02673	5.9
150.10027	2.0
167.03415	2.0
169.03439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02377	1.2
53.03932	2.7
54.27390	0.8
55.01874	4.9
55.05501	2.8
61.69810	0.9
62.95449	1.0
63.02354	1.8
65.03937	80.7
66.04262	2.8
67.05490	2.3
69.03432	6.4
69.07044	1.2
69.24668	9.9
77.37022	0.8
78.04698	4.0
79.05492	13.7
80.04987	0.9
81.07063	3.9
83.04967	0.8
89.03350	1.0
89.03913	22.0
91.05477	26.0
93.03399	15.3
93.07041	22.0
95.04962	8.2
95.06096	0.8
96.16389	0.8
98.03670	3.4
98.21594	1.6
103.05489	5.4
105.03399	1.9
105.04507	1.1
105.07030	16.0
106.04179	1.8
106.07768	1.0
107.04980	2.1
107.08602	6.4
109.06514	3.8
109.07652	1.3
110.08405	1.6
111.04441	17.0
115.05446	1.5
116.06223	3.0
117.03378	8.1
119.04908	0.9
119.08563	3.0
121.02859	76.2
121.03957	18.0
121.06511	6.0
121.10136	9.7
122.03194	3.1
122.04194	0.9
123.08074	2.0
124.05249	0.9
129.06984	0.9
131.04950	1.1
131.08534	3.9
133.07599	0.8
134.03613	3.5
135.04390	2.0
149.02335	100.0
149.05969	9.7
149.09612	31.6
150.02693	5.6
150.03772	1.3
150.05452	1.4
150.10083	1.5
150.13878	0.8
167.03368	1.4
169.03482	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	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03938	5.0
55.01852	5.3
55.05498	3.2
65.03935	75.4
66.04280	2.9
67.05473	3.9
69.03408	4.7
69.07060	3.0
70.34388	6.4
71.24143	1.4
76.34332	1.6
79.05484	38.1
80.04974	2.8
81.07050	10.7
89.03913	2.7
91.05475	81.4
93.03398	17.4
93.07036	63.4
94.07374	1.7
95.04962	13.8
98.03641	2.9
98.21465	2.0
103.05471	12.8
105.07021	49.7
106.07781	5.5
107.04906	3.9
107.08589	15.0
109.06512	8.5
110.08387	2.0
111.04426	16.2
115.05465	8.3
116.06225	28.6
119.08561	10.9
121.02851	67.2
121.03951	15.9
121.06487	25.0
121.10134	39.4
122.03174	3.5
122.07090	1.7
123.08032	8.1
128.06183	1.6
129.06985	8.8
131.08559	24.5
133.07585	2.5
134.07262	4.7
147.08005	3.9
149.02327	100.0
149.05940	2.3
149.09607	77.2
149.13237	5.3
150.02676	5.3
150.10020	3.4
167.03392	2.8
168.21481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.20770	1.3
51.02370	1.4
53.03937	3.8
55.01654	1.3
55.01869	12.9
55.05520	2.9
56.49374	1.4
65.03936	74.2
66.04259	2.1
67.05489	4.4
69.03416	2.0
69.07044	1.8
69.56120	2.5
69.56528	7.8
78.82494	1.5
79.05486	39.1
81.03413	2.0
81.07059	7.5
81.30801	1.4
83.04982	1.6
91.05480	48.4
92.05819	2.3
93.03400	20.2
93.07038	43.2
93.07632	2.6
95.04972	8.6
98.03668	3.5
98.21577	2.3
103.05473	9.4
105.07021	43.5
107.04956	13.7
107.08585	30.4
109.06512	3.7
111.04437	17.1
113.74618	1.2
115.05441	1.9
116.06279	6.8
119.08574	2.5
121.02861	68.2
121.03961	17.0
121.06478	11.7
121.10143	13.2
122.03238	2.3
123.08067	1.9
129.06998	2.6
131.04929	4.2
131.08560	18.9
133.06464	3.0
134.07265	1.9
145.31067	1.6
147.29749	1.5
149.02338	100.0
149.08398	2.7
149.09610	40.2
149.13162	2.2
150.02693	4.1
150.05548	1.7
150.10170	2.1
165.50719	1.4
167.03448	2.2
169.03506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03946	4.3
55.01868	5.3
55.05493	2.1
56.96557	2.0
57.12514	0.9
61.08616	0.6
65.03936	72.8
66.04253	1.8
67.05487	1.9
69.03443	1.0
69.35936	0.7
69.84086	1.0
69.84501	3.2
77.03953	1.0
78.04709	1.0
78.94359	0.9
79.05489	20.5
81.03410	1.4
81.07060	4.7
89.03889	1.8
91.05473	29.6
92.05782	0.7
93.03395	14.4
93.07038	41.2
94.07371	0.9
95.04960	11.0
98.03645	3.7
98.20817	1.1
98.97591	1.8
103.05455	11.7
104.05849	1.0
105.04507	1.2
105.07022	30.2
106.07798	3.0
107.04948	1.6
107.08615	3.4
109.06518	4.0
110.08397	1.1
111.03701	1.3
111.04432	17.0
112.04768	0.7
115.05439	1.3
116.06235	2.3
116.98569	1.0
117.03327	0.7
119.08567	3.9
121.02854	71.8
121.03959	16.9
121.06497	6.4
121.10132	18.6
122.03199	3.4
122.04359	0.8
122.07127	1.6
122.10460	1.1
123.08098	3.4
131.04919	3.3
131.08563	1.3
134.07243	0.9
134.99654	0.9
149.02332	100.0
149.05957	4.1
149.09608	73.9
149.25433	0.7
150.02684	3.4
150.09988	2.7
154.51521	0.7
165.44000	0.7
167.03395	2.6
169.03447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
51.78502	0.7
54.45480	0.6
56.05027	4.8
56.96548	1.9
58.99577	0.8
65.03927	3.0
71.08377	1.3
74.00679	0.8
77.10495	0.7
77.25687	0.6
82.06565	2.2
83.06904	4.4
84.04496	100.0
84.08137	9.8
85.02895	2.1
85.04808	1.5
88.03984	1.1
88.41104	0.6
91.05470	25.5
94.44907	0.7
95.05035	0.7
97.02895	0.7
100.07581	1.6
101.01714	18.5
101.07202	2.0
101.07950	6.5
102.05538	4.2
119.04932	15.5
120.05279	1.0
128.90163	0.6
130.04980	21.3
130.08687	0.7
147.04373	4.7
147.08441	1.9
149.01311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.75149	0.6
52.48236	0.5
53.00318	0.5
53.03949	3.0
55.01868	3.3
55.05508	3.2
56.96561	1.0
61.01152	1.8
65.03938	78.6
66.04276	2.4
67.05503	1.9
68.99780	0.7
69.03436	2.0
69.07075	1.7
70.44143	0.5
71.56832	0.6
72.04523	1.3
77.03950	0.5
78.03779	1.2
78.04719	0.9
79.05490	18.8
80.05038	0.7
80.05812	0.6
81.04542	0.7
81.07049	4.4
87.80769	0.5
89.03927	1.3
91.05478	31.6
92.05820	1.0
93.03400	15.4
93.07040	27.9
94.03703	0.9
94.06585	0.7
95.04975	7.5
95.08641	0.9
98.03659	3.7
102.03757	1.4
103.05467	7.0
105.03377	0.6
105.04507	1.2
105.07031	23.8
106.07829	2.0
107.04966	2.1
107.08598	9.0
107.13411	0.6
108.04462	1.0
109.06530	2.8
109.07650	1.2
110.08438	1.8
111.04440	20.2
112.04745	0.6
115.05445	3.2
116.06226	8.6
119.08578	5.7
121.02873	69.4
121.03974	16.2
121.06483	8.0
121.10136	20.7
122.03197	3.1
122.04317	1.0
122.07132	1.6
122.10497	0.6
123.08044	3.2
123.08968	0.5
129.07011	2.9
131.04947	2.2
131.08562	7.5
133.06583	0.9
133.07602	1.4
134.07248	1.0
147.08012	0.9
149.02339	100.0
149.05998	2.3
149.09612	42.6
149.13268	2.1
150.02682	5.1
150.05530	0.7
150.10068	1.3
150.12755	0.8
167.03413	2.7
169.03551	1.4
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
53.00294	0.4
53.03941	0.3
56.49523	0.3
58.70518	0.3
62.83507	0.4
63.73298	0.3
64.92802	0.5
65.03934	12.4
70.74535	1.1
74.67384	0.3
79.05477	0.5
84.04471	1.1
84.08167	0.4
91.05470	100.0
92.05808	3.4
95.04942	0.9
103.05441	0.4
105.07043	1.1
117.06998	0.4
119.04928	70.5
119.08542	1.7
120.04481	0.5
120.05254	3.5
123.37381	0.4
126.75952	0.4
137.37550	0.4
143.37248	0.4
147.04393	19.0
147.08034	0.5
148.04776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55775	0.5
51.80650	0.5
52.17273	0.6
53.03928	1.1
55.05496	2.4
58.74226	0.5
60.04507	0.9
63.02377	0.5
65.03937	11.6
67.05501	1.2
68.75997	0.5
70.16675	1.6
70.17099	0.8
79.05480	2.9
84.04501	8.7
88.03977	2.0
91.05476	100.0
92.05810	3.6
93.07014	0.8
95.04972	1.5
100.23937	0.6
100.38348	0.6
102.05537	1.3
103.05453	2.8
104.06255	0.8
105.04526	0.7
105.07028	22.1
106.07329	0.7
107.04952	1.1
107.08597	1.9
115.05486	0.7
116.06226	0.7
117.07008	6.8
119.04933	66.3
119.08575	30.8
120.04518	0.8
120.05258	2.8
120.08910	1.2
123.96366	0.6
128.06241	1.0
129.06987	2.3
130.05031	2.0
130.06522	0.7
131.44925	0.6
132.05696	1.0
132.09328	2.6
145.10139	2.7
147.04413	18.0
147.08061	4.6
147.09132	1.1
147.11676	12.0
148.03804	0.7
148.04854	1.0
148.08522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03935	0.7
55.05507	3.7
55.97071	0.4
56.05024	0.5
56.25683	0.4
58.10922	0.4
60.04502	0.5
65.03935	10.1
67.05502	1.4
69.07067	0.5
79.05487	3.3
81.07037	0.9
84.04497	8.6
85.02914	0.5
88.03970	2.2
88.51637	0.4
90.04633	0.4
91.05473	100.0
92.04967	0.5
92.05804	3.2
93.07039	1.5
95.04949	1.5
101.07937	0.5
102.05537	1.3
103.05465	2.4
104.06223	0.6
105.04560	0.5
105.07023	27.1
106.07301	0.5
107.04942	1.0
107.08604	2.7
112.12450	0.4
115.05462	0.9
116.06188	0.5
117.07005	7.9
118.90385	0.4
119.04933	59.9
119.08570	38.5
120.04516	0.6
120.05264	2.4
120.08911	1.3
120.77771	0.4
121.07641	0.4
128.06169	0.6
129.06995	1.9
130.04997	1.4
130.06494	0.6
131.08577	1.1
132.05716	0.8
132.09343	1.9
145.10097	2.7
147.04404	18.2
147.05414	0.7
147.08051	5.7
147.09157	1.1
147.11671	12.8
147.12798	0.8
148.04779	1.2
148.08551	0.6
148.12024	0.8
160.54897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.20213	0.4
53.03930	0.5
56.96560	0.7
65.03608	0.8
65.03939	13.2
65.04282	0.7
69.26578	4.5
71.04591	0.4
79.05463	0.6
83.64278	0.3
84.04474	0.8
91.05478	100.0
92.05821	3.3
95.04982	0.6
98.21560	0.5
102.12286	0.4
103.05509	0.6
105.07022	4.9
116.68552	0.4
117.07058	0.7
119.04935	81.0
119.08582	5.1
120.05266	3.2
121.69981	0.4
121.91220	0.4
147.04408	22.6
147.08073	0.8
147.11687	1.7
148.04741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.37722	0.3
53.03936	0.4
55.05497	0.5
65.03937	12.7
66.04255	0.4
69.51653	1.6
69.52077	1.0
75.93782	0.3
79.05492	0.7
84.04478	0.3
91.05476	100.0
92.05814	3.5
95.04965	0.7
98.20717	0.3
105.07020	2.6
105.31060	0.3
117.07037	0.9
119.04936	77.1
119.08574	3.9
120.05264	3.4
146.72652	0.3
147.04405	20.2
147.08046	0.6
147.11676	1.3
148.04800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.40912	0.3
53.03938	0.4
55.05514	0.4
63.02380	0.4
65.03938	12.3
70.73299	0.9
70.94602	0.3
77.31417	0.3
84.04485	1.2
84.08140	0.4
91.05478	100.0
92.05004	0.3
92.05193	0.4
92.05795	4.7
95.04990	0.9
102.05585	0.4
105.07035	1.2
118.06581	0.4
119.04938	78.9
119.08566	1.2
120.04469	0.6
120.05255	4.0
121.07617	0.4
123.96456	0.8
124.89639	0.3
126.42195	0.3
129.05347	1.6
130.04991	0.3
145.19618	0.3
147.04414	22.8
147.06258	3.2
147.08070	0.5
148.03799	0.7
148.04785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.081
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
54.55170	0.3
55.05502	0.8
56.05033	2.0
56.96563	0.7
57.03437	0.5
58.02963	0.7
58.06585	0.4
59.25407	0.3
60.04511	0.4
60.05651	4.7
60.08152	0.6
67.04241	1.1
68.05035	0.4
69.03423	3.0
70.06599	0.5
70.36631	1.2
70.37045	0.7
72.04512	0.7
72.08147	2.6
73.08459	0.5
74.02444	0.4
81.03437	0.5
82.06575	56.9
83.04968	0.6
83.06095	0.6
83.06901	1.3
83.50388	0.4
84.04498	12.7
84.08131	3.7
85.02887	1.0
86.06062	17.0
87.04463	20.0
88.03999	0.6
91.05466	0.4
99.05566	0.5
100.07611	100.0
101.01736	3.0
101.02316	0.6
101.07235	0.5
101.07949	2.3
102.05571	0.6
104.07095	1.9
110.06044	0.5
111.05539	2.1
119.01898	0.4
119.04973	0.4
128.07065	2.9
128.08171	1.2
130.05003	3.6
146.08096	16.3
146.09227	5.2
146.10495	0.7
147.08482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13800	0.3
55.05513	0.8
55.98263	0.3
65.03936	12.3
67.05472	0.4
67.30276	0.3
70.05489	1.4
76.79987	0.3
79.05492	1.0
81.07056	0.3
84.04495	0.7
90.95910	0.3
91.05476	100.0
92.05798	3.8
95.04951	0.9
98.20808	0.5
101.07992	0.4
103.05444	0.9
104.06282	0.4
105.06394	0.5
105.07032	7.7
107.08558	0.5
115.05466	0.4
117.07005	2.4
119.04935	76.0
119.08569	8.0
120.05267	3.3
120.08837	0.3
129.04500	0.3
129.05400	0.3
129.07001	0.8
132.05699	0.6
132.09302	0.3
145.10083	0.5
145.57495	0.3
147.04405	21.8
147.08044	3.8
147.11719	2.6
148.04758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
50.91999	0.7
51.11761	0.6
51.23148	0.6
53.03942	0.8
53.55902	0.7
56.96561	0.9
58.06611	0.8
65.03938	9.3
69.53386	0.6
69.62017	0.6
70.74580	1.5
70.74912	1.0
70.95152	0.7
72.08145	2.8
76.55958	0.7
77.04849	0.7
82.06564	6.2
86.06087	1.2
91.05476	100.0
92.05827	1.0
95.04977	1.5
100.07613	12.2
103.05449	1.4
105.04530	0.7
106.68978	0.8
112.11275	0.8
117.05753	7.8
118.06537	88.6
119.04936	53.5
119.06731	3.6
119.08547	0.7
121.35658	0.7
123.96447	0.7
128.04959	26.8
129.05345	0.9
129.06853	0.6
136.30708	0.6
146.06004	60.2
146.08012	2.2
146.09688	1.4
147.04416	15.9
147.05487	1.0
147.06364	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.03944	0.9
65.03938	3.8
66.10638	0.7
70.69472	2.1
70.69824	1.0
72.08134	1.6
82.06580	3.5
83.55557	0.7
86.06028	0.6
88.69953	0.6
91.05474	55.8
92.05820	1.0
92.67064	0.7
95.04964	0.8
100.07587	5.9
103.05479	1.1
105.07080	0.6
113.30576	0.7
117.05751	9.6
118.06534	100.0
119.04939	15.2
119.06831	4.1
119.08571	0.7
128.04951	27.9
129.04475	0.9
146.06000	58.0
147.03403	0.7
147.04411	4.7
147.06351	2.2
160.54926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01860	1.5
57.03424	1.8
58.06588	1.0
62.92966	1.1
63.85707	1.0
65.03941	1.3
65.30389	1.0
67.05493	4.9
69.03415	2.7
70.69681	1.1
70.70017	2.4
71.04720	0.8
71.04995	9.2
72.08156	1.9
79.05481	4.3
81.03407	4.0
82.06577	6.5
84.04501	1.1
85.02900	4.2
86.06122	1.0
87.00758	1.0
89.03904	3.5
91.04902	1.6
91.05474	28.4
92.05799	1.1
93.71255	1.0
95.04977	1.5
96.71150	0.9
97.02863	1.5
99.04462	16.8
100.07615	10.1
103.05465	6.6
105.07026	100.0
106.07378	4.3
115.05449	21.5
116.06226	3.5
117.03365	1.6
117.07014	46.0
118.06527	2.9
118.07324	2.1
121.96631	2.8
127.03862	2.0
127.58406	1.1
128.04881	1.2
128.06229	11.4
129.06996	21.5
130.07782	74.1
131.08145	2.8
139.01840	2.8
143.08553	12.4
145.04997	1.1
145.06482	6.1
145.10118	95.7
146.05995	3.5
146.08104	4.0
146.10452	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.01864	3.5
56.96563	5.6
57.03421	3.2
62.92728	1.4
62.92992	14.3
67.05490	3.8
69.03408	4.2
71.01358	1.2
71.04994	15.0
71.17882	1.1
79.05478	4.9
81.03409	6.5
82.06587	13.2
85.02895	7.3
86.06072	3.6
89.03923	2.0
91.05482	37.1
91.07176	1.1
92.05828	1.3
97.00785	2.6
97.02883	3.8
99.04452	31.1
100.07619	25.2
103.05463	7.0
105.07030	100.0
106.07370	2.9
110.16759	1.1
115.04047	1.6
115.05453	22.8
116.06267	10.2
117.07018	72.1
118.06529	5.9
118.07357	4.1
121.96651	18.1
127.03919	3.8
128.05016	2.7
128.06200	11.1
128.07054	2.3
129.07001	22.8
130.07787	67.8
131.08104	2.6
139.01785	3.3
143.08557	12.2
144.98267	1.5
145.03891	2.8
145.04922	2.3
145.06496	4.4
145.10123	90.8
146.06003	7.3
146.07091	1.1
146.08133	6.4
146.10478	7.0
148.13884	1.2
159.63585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.01853	1.9
56.96556	1.3
57.03427	2.9
62.92992	8.6
65.03951	1.1
67.05490	1.4
69.03422	2.5
71.01353	1.1
71.04990	9.0
71.37486	1.1
71.37795	1.1
79.05501	4.0
81.03410	3.3
82.06571	7.5
85.02893	3.9
86.06062	2.1
89.03902	1.4
91.05478	24.1
97.02869	2.4
99.04453	19.4
100.07613	13.8
103.05459	4.4
104.90839	0.9
105.07029	100.0
106.07359	3.6
115.05450	12.6
116.06244	3.7
117.07014	34.2
117.07854	1.6
118.06523	3.2
118.07290	1.4
121.96641	12.7
122.47211	0.8
127.03928	2.1
127.05400	0.8
128.04985	0.8
128.05325	1.1
128.06219	10.5
128.07043	1.5
129.07004	17.7
130.07788	56.6
131.08102	1.6
137.98366	1.3
139.01826	2.7
143.08562	10.9
144.98251	0.9
145.03929	1.4
145.05084	1.4
145.06488	4.3
145.10118	90.7
146.06055	4.0
146.08131	1.8
146.10464	4.0
155.06042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01862	3.2
55.05476	1.1
56.05024	1.3
56.46304	0.9
56.96557	3.6
57.03433	4.4
58.06577	0.9
59.06111	3.2
59.36655	0.9
60.04521	0.9
62.92982	3.6
65.03924	1.3
66.09832	0.9
67.05499	4.0
68.05019	1.5
69.03432	4.9
70.06577	1.3
71.01337	1.8
71.04990	15.2
71.56693	1.3
72.08146	4.7
79.05492	4.9
81.03421	5.7
82.06581	14.3
84.04497	1.8
84.08150	1.1
85.02914	6.9
85.04006	4.7
85.07648	1.5
86.06068	2.8
86.34403	0.8
87.04465	1.0
89.03918	8.5
91.05480	37.1
92.05834	1.2
97.00794	2.2
97.02874	2.1
99.04454	30.4
99.05473	1.4
100.04794	1.2
100.07613	22.7
103.05486	6.6
105.07027	100.0
105.93110	0.8
106.07390	3.8
115.04687	1.5
115.05457	23.2
116.06224	3.6
117.03374	2.8
117.05730	1.7
117.07018	48.8
118.06586	9.4
118.07388	2.2
121.00896	1.0
121.01656	4.5
121.13847	0.7
121.96641	5.8
127.03957	5.0
128.04980	1.7
128.06227	14.1
128.07082	1.6
129.07011	21.3
130.07797	66.7
131.08144	1.7
139.01794	4.4
143.08542	12.1
144.08864	1.0
145.03929	1.2
145.05013	1.3
145.06480	7.2
145.07634	2.4
145.10123	85.1
146.05997	6.9
146.07030	1.6
146.08133	3.4
146.10483	4.7
155.06052	2.1
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
53.03935	3.9
55.01843	1.7
55.05489	1.2
62.92986	11.7
67.05494	2.1
69.03402	2.4
69.93153	1.3
71.05005	6.9
71.58049	1.5
79.05476	3.2
81.03413	3.5
82.06568	10.9
85.02908	2.8
87.04455	3.8
91.05473	21.4
91.13713	1.1
99.04456	17.5
100.07609	13.7
103.05458	5.0
105.07025	100.0
106.07337	3.3
109.64953	1.2
115.05454	10.8
116.06246	2.9
117.07011	29.8
118.06513	3.6
118.07317	2.1
121.96629	18.5
127.03872	3.0
128.06207	8.4
129.07018	12.6
130.07784	55.0
130.10933	1.2
131.08133	1.3
132.11914	1.1
143.08566	12.6
144.08919	1.3
144.98190	2.8
145.05034	1.5
145.06488	2.8
145.10115	94.3
146.05977	4.1
146.08115	2.6
146.10460	3.9
155.06081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
54.37939	2.1
55.01867	37.6
55.05504	3.2
56.96576	2.1
57.03423	6.8
62.17596	2.3
62.92985	9.6
67.05488	2.7
69.03418	4.0
71.01348	54.1
71.04993	12.9
75.04475	7.0
81.03405	5.0
82.06567	9.1
83.32426	2.2
85.02897	31.5
85.87653	2.2
91.05476	9.5
97.02875	5.8
99.04448	25.5
100.07618	10.0
101.02375	100.0
105.07029	27.1
115.05457	7.5
117.07004	15.9
118.06511	2.8
121.96658	11.0
127.03921	3.9
128.06229	2.4
129.06999	6.7
130.07799	17.2
139.01762	2.9
145.04980	3.4
145.06526	2.1
145.10107	25.0
146.05948	2.7
146.08113	2.9
146.54248	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	145.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01630	2.4
55.01874	37.4
55.05493	3.4
57.03426	6.7
62.92994	10.9
69.03438	4.6
71.01353	54.6
71.04993	14.8
75.04472	8.7
78.99993	1.8
81.03414	5.4
82.06582	7.9
85.02910	29.4
85.22441	2.1
89.03910	3.5
91.05477	7.4
97.02888	2.8
98.20719	4.9
99.04453	23.0
100.07625	10.5
101.02376	100.0
105.07025	25.4
115.05434	5.8
116.06217	1.8
117.07014	14.1
118.06572	2.3
121.96632	14.8
127.03905	2.3
128.06226	3.4
128.21164	1.9
129.07028	4.5
130.07790	15.8
139.01784	1.9
143.08571	2.0
145.04999	2.8
145.10121	25.1
146.06023	3.9
146.08186	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	145.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94696	0.1
53.03952	0.3
55.01873	0.2
55.05505	0.2
56.05038	0.2
56.96562	2.0
57.03430	0.3
58.06591	0.2
59.06123	0.4
60.04520	0.1
60.95861	0.5
60.99633	0.2
63.92924	0.1
65.29341	0.1
66.45168	0.1
67.05514	0.2
68.02563	0.1
69.03439	0.4
69.79560	0.5
69.79996	0.3
70.06595	0.3
71.04987	1.2
71.94101	0.2
72.04510	0.2
72.08154	0.2
74.06072	0.2
76.05836	0.1
77.00901	0.2
78.94907	0.1
79.00666	0.3
79.05477	0.2
81.03420	0.5
82.01458	0.1
82.06567	0.6
83.98853	0.1
84.96053	0.1
84.99563	0.6
85.02916	0.3
85.04031	0.5
85.07684	0.3
87.04467	0.2
91.05489	0.4
92.57278	0.1
94.29421	0.1
97.02902	0.1
98.97588	0.2
99.04444	2.3
100.02504	0.7
100.07605	0.6
101.00875	0.8
101.75200	0.1
102.91181	0.2
103.00613	5.6
103.01172	0.3
103.02426	0.3
103.97173	0.1
104.07137	0.1
105.07029	0.3
110.06049	0.2
115.05475	0.3
115.21406	0.1
117.07027	0.3
118.03460	0.7
118.06535	0.1
119.01915	10.0
120.02001	2.9
120.03210	0.7
121.01657	100.0
121.98234	0.2
122.01952	2.1
123.02084	0.5
126.02187	0.2
127.03898	0.4
127.08667	0.1
128.07030	0.1
130.07776	0.2
134.99551	0.1
135.03197	0.4
137.02945	8.0
138.03044	2.3
138.04265	0.6
139.02682	77.8
139.49673	0.3
139.99265	0.4
140.03024	1.5
141.03206	0.6
141.05095	0.7
141.96951	0.2
142.03513	1.3
142.05176	0.1
143.03609	0.3
144.03229	7.0
145.03532	1.3
145.04922	0.2
145.09821	0.3
146.05876	0.2
149.04814	0.2
153.04190	0.2
159.06149	1.1
160.04512	0.6
161.04674	0.2
162.04295	3.2
163.04697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0806
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.08151	0.3
53.03931	0.8
56.05009	0.5
59.06090	0.5
70.06579	0.3
70.36002	1.1
71.04966	0.9
71.97351	0.3
84.04543	0.3
85.02913	0.6
89.03878	0.6
91.05474	5.9
95.04934	1.0
95.40845	0.3
98.06017	0.4
99.04452	1.3
103.05458	4.3
105.04459	0.3
105.07005	0.5
115.05446	13.0
116.04955	0.7
116.05669	0.7
117.05789	4.1
117.07009	27.3
118.06519	0.9
118.07359	1.0
121.96610	0.3
123.30751	0.3
127.05434	1.3
128.04939	2.8
128.06209	0.9
130.07732	0.6
134.06006	0.5
139.01851	0.4
142.06540	0.9
143.07291	24.3
144.08070	100.0
145.06482	7.7
145.08406	5.0
145.10117	0.5
146.05971	1.2
155.06020	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	145.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01881	0.4
55.05511	0.4
56.05026	0.1
56.96564	2.0
57.03434	0.2
57.07139	0.1
58.06595	0.2
59.06118	0.6
60.95855	0.4
60.99614	0.2
62.00392	0.2
63.92931	0.2
67.05507	0.2
69.03418	0.5
70.06600	0.3
71.04990	1.2
71.56615	0.2
71.94131	0.1
72.04515	0.2
72.08153	0.3
74.06072	0.2
79.00658	0.2
79.05532	0.1
81.03408	0.6
81.07053	0.1
82.06583	0.9
84.96014	0.2
84.99564	0.6
85.02909	0.3
85.04015	0.6
85.07658	0.3
86.06062	0.2
88.07643	0.1
91.05473	0.4
93.06977	0.1
97.00815	0.2
97.01737	0.1
97.02882	0.2
97.07620	0.1
99.04448	2.7
100.02487	0.6
100.07606	0.4
101.00858	0.5
102.00922	0.1
102.91178	0.3
102.96839	0.1
103.00618	5.4
103.01254	0.3
103.02456	0.2
104.07098	0.2
104.49219	0.1
105.03428	0.2
105.07027	0.4
110.06010	0.2
115.05472	0.2
117.06999	0.5
118.03545	0.6
118.04230	0.1
118.06503	0.2
119.01919	10.0
120.02019	2.6
120.03194	0.8
121.01658	100.0
121.96609	0.2
121.98225	0.1
122.01182	0.2
122.01958	2.0
123.02079	0.4
123.04015	0.1
126.02166	0.3
127.03876	0.4
129.07004	0.1
130.07750	0.2
134.99596	0.2
135.03180	0.5
136.04591	0.1
137.02948	7.1
138.03040	2.7
138.04280	0.7
139.02686	79.0
139.99280	0.3
140.03027	1.7
141.03117	0.5
141.05089	0.9
142.03496	1.1
143.03596	0.3
144.03232	7.8
145.03598	1.4
145.04829	0.2
145.07529	0.1
145.09758	0.4
146.08095	0.2
148.06369	0.1
153.04207	0.2
157.00015	0.1
159.06160	1.0
160.04567	0.7
161.04643	0.2
162.04289	3.7
163.02730	0.2
163.04500	1.0
164.06642	0.2
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
52.06799	0.9
53.60153	0.9
55.01859	3.1
55.05502	5.8
56.96556	1.6
57.07072	5.1
57.78015	0.9
58.82893	0.8
59.04982	2.1
60.04536	1.0
60.95847	1.4
60.96672	0.8
65.03932	0.8
67.05494	3.2
69.03080	1.3
69.03427	16.3
69.07067	1.8
70.06589	1.3
70.14117	1.9
70.14506	1.5
71.01363	1.7
71.04992	27.0
72.04518	0.9
72.05315	0.8
73.06564	4.2
74.06076	0.8
79.05474	2.6
81.07051	1.4
83.01310	1.3
83.04980	4.7
83.08601	2.7
85.02887	1.6
85.06544	11.4
91.05480	1.4
97.00807	1.7
97.02895	7.6
97.10148	3.3
98.06054	3.5
98.21591	1.0
99.65447	0.8
101.95028	1.1
102.96890	1.3
107.08578	7.1
115.05439	1.8
117.25496	0.9
119.01878	1.1
119.91244	0.8
120.97902	2.3
121.18404	0.8
125.02338	7.7
125.09628	3.7
128.06218	14.2
129.07031	1.4
137.03018	1.0
138.03201	1.0
138.98921	3.9
139.01797	5.4
143.03389	100.0
143.08586	3.0
144.03751	4.9
144.08063	3.5
145.06493	1.3
156.99873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01875	4.4
55.05511	3.0
56.05032	5.0
56.96571	3.1
57.03422	1.9
57.05367	0.7
57.07059	1.1
58.02930	0.5
58.06584	2.4
59.04975	1.8
59.06113	2.3
60.04526	3.1
60.95842	1.2
67.05488	1.0
68.05022	1.9
68.99770	0.9
69.03426	14.5
69.05781	0.5
69.07063	4.8
69.40009	4.4
70.02966	0.6
70.06595	4.1
71.01342	0.6
71.04977	1.1
72.04504	1.3
72.08140	1.7
74.06076	1.4
75.05584	2.5
79.01834	0.6
79.05476	1.5
80.04990	1.9
81.03409	0.7
81.04519	0.7
81.05337	0.6
81.07057	3.8
82.06577	4.1
83.01338	1.8
83.04964	2.1
83.06103	5.2
84.04501	5.0
84.08139	8.4
85.02905	6.9
85.06525	2.0
85.07639	1.0
86.06057	3.9
86.09700	10.7
87.04447	0.7
87.05587	3.6
87.06820	1.4
91.05456	0.9
91.29984	0.5
95.06081	1.2
96.08114	1.9
97.00797	2.0
97.02881	9.3
97.03972	0.6
97.06512	0.6
97.07652	3.9
98.06063	4.8
98.09685	6.1
98.20754	1.1
99.04483	0.5
99.08092	1.8
101.00817	1.4
101.07134	1.7
102.05536	1.4
108.06892	0.8
108.08083	1.3
109.07629	2.4
110.08427	0.6
111.00773	1.1
113.07101	0.6
114.09167	0.9
115.03951	0.8
115.05469	1.0
119.01048	0.7
119.01901	11.1
120.02017	1.7
120.97870	1.3
121.00786	0.9
121.01604	0.9
125.02345	10.6
125.07088	1.4
125.10757	1.0
126.03768	0.5
126.05504	1.8
126.09143	1.9
127.08563	0.5
128.01047	1.9
128.06210	2.5
129.46545	0.5
130.92030	0.5
137.02966	6.9
138.03053	1.7
138.98924	2.0
139.01797	4.0
143.03387	100.0
143.08217	2.1
143.11780	16.2
144.03737	3.9
144.06555	2.3
144.08105	3.3
144.10204	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03939	0.8
55.01873	3.7
55.05510	4.3
57.03418	0.9
57.07069	3.7
57.41024	0.5
59.04976	1.5
60.04507	1.0
60.95839	1.4
67.05489	1.5
68.99762	0.5
69.03429	15.7
70.06577	1.6
70.10740	2.4
71.01333	0.8
71.04991	16.4
71.08602	0.5
73.06544	1.7
75.70685	0.5
78.99754	0.7
79.05482	1.1
81.07021	0.7
83.04984	2.8
83.08602	1.9
84.04500	1.2
84.08144	1.1
85.02887	2.4
85.06546	7.2
89.53252	0.5
91.05436	0.6
97.00796	3.0
97.02894	6.2
97.06525	1.2
97.10162	2.2
98.06047	2.5
99.05602	0.5
100.08723	0.6
101.07106	0.5
102.96842	0.8
105.07016	0.8
107.08595	5.5
111.07958	1.2
111.08701	0.5
115.05443	3.9
118.23199	0.6
119.01913	2.4
120.97904	1.7
121.00816	1.3
124.10617	0.5
125.02341	6.3
125.09642	3.4
126.05502	0.7
128.01028	1.2
128.06213	10.6
134.45522	0.5
137.02942	0.9
137.97160	0.6
138.98965	3.1
139.01834	6.6
143.03387	100.0
143.08525	2.2
143.10655	1.3
144.03743	4.3
144.06580	1.2
144.08070	2.4
145.06474	1.3
150.08823	0.5
156.99994	0.7
162.00574	0.6
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
53.00301	0.7
53.03929	0.8
55.01875	4.1
55.05504	4.6
55.22068	0.6
56.96547	1.6
57.03423	1.0
57.07080	4.5
59.04991	2.1
60.04517	0.6
60.95843	1.5
67.05489	2.9
69.03080	0.9
69.03428	14.3
69.07051	1.8
70.06586	2.1
70.38404	2.6
71.01359	0.8
71.04600	1.2
71.04990	21.4
72.04529	1.1
73.06567	3.5
74.06078	0.9
79.05464	1.0
79.65137	0.7
83.01357	0.9
83.05002	3.4
83.07693	0.6
83.08615	2.2
84.04482	0.9
85.02886	2.6
85.06543	10.3
85.84058	0.6
91.05444	1.1
97.00797	2.8
97.02889	7.2
97.06516	1.2
97.10168	3.2
98.06044	2.8
98.09676	0.7
101.00921	0.7
102.96837	1.1
105.07020	1.1
105.09063	0.7
107.08599	7.0
111.07935	0.6
115.05425	1.5
119.01919	2.3
120.97923	0.8
125.02368	7.0
125.09640	3.7
127.05499	0.7
128.01033	0.7
128.06215	8.1
137.02933	0.9
138.98932	2.8
139.01851	5.7
143.03392	100.0
143.08583	2.2
144.03709	4.1
144.06546	1.4
144.08070	1.5
157.00052	0.8
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
54.03459	4.1
55.01867	6.8
55.05510	3.4
56.05024	2.5
56.96564	49.1
57.03440	5.7
58.96155	1.1
58.99838	1.6
60.95851	1.9
61.02919	1.2
65.53259	0.9
66.86373	1.1
67.05474	1.8
68.05024	2.0
69.03426	5.5
69.07067	1.8
70.02936	1.9
70.04080	1.1
70.06579	1.8
70.86822	2.2
70.87161	1.5
70.99862	1.3
71.01360	2.6
71.95263	2.0
72.04514	1.8
72.08135	3.5
73.02919	2.0
73.07660	1.2
77.00901	2.0
79.05488	4.6
80.04990	1.4
81.04537	5.8
82.02938	2.6
82.06593	2.7
82.99857	1.1
83.01352	3.5
83.06096	1.5
83.97598	1.9
84.04548	1.4
84.08134	2.6
85.02899	3.4
86.06057	1.6
87.04466	1.6
95.06103	1.4
96.04513	1.3
96.08134	6.3
97.02890	3.3
97.04016	1.0
97.05129	2.2
97.06516	1.2
97.07645	1.3
97.99140	1.3
98.06018	1.2
98.97555	3.6
100.02467	1.9
100.07590	1.4
101.00862	12.7
101.07133	1.6
110.02403	3.9
111.00785	3.0
113.03487	2.5
114.05497	1.1
116.98598	2.9
118.03526	7.6
118.98180	1.8
119.01916	100.0
119.99588	1.1
120.02034	1.6
124.05067	3.0
124.07593	2.2
124.08678	2.2
125.02339	1.5
125.06145	1.2
125.07164	2.8
126.09221	1.0
131.01906	1.2
133.03404	1.1
136.04564	5.9
136.99301	1.5
137.02948	53.0
142.03474	9.2
142.05052	1.7
142.06042	2.4
142.08594	3.9
142.09683	1.5
142.12273	1.3
143.01289	2.4
143.03407	13.0
143.05611	1.2
143.11784	1.6
146.99597	1.3
160.04526	9.1
161.02933	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70498	0.9
56.96564	55.0
70.36272	1.0
71.07203	2.0
71.95266	7.6
81.04530	3.2
94.03943	0.9
94.72978	0.9
95.99511	0.9
96.04478	1.0
96.23515	1.0
98.97583	89.4
116.98617	100.0
117.98929	1.4
122.07093	1.3
123.06766	1.0
134.99654	70.8
140.00218	3.1
140.06998	0.9
141.05135	1.0
153.00717	13.2
153.16200	1.0
158.01279	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95601	1.6
56.08360	1.7
57.76184	2.0
70.99572	6.6
76.12187	1.6
100.02488	2.5
101.00912	9.3
103.58229	1.9
113.14315	1.7
114.62766	1.7
118.03535	13.6
119.01917	100.0
120.02011	2.4
136.04556	11.2
137.02956	66.0
142.03488	19.3
160.04588	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.0
55.01867	2.5
55.05502	1.9
56.05025	3.1
56.96563	23.4
57.03425	2.3
58.96161	1.7
58.99847	1.6
61.94930	0.9
68.05044	1.4
69.03419	3.6
69.65052	0.7
70.06593	2.4
70.99848	1.4
71.04969	1.3
71.55713	1.0
71.56062	1.0
72.04492	1.0
72.08155	2.3
72.96043	1.3
73.02895	1.3
74.97614	1.1
77.00900	4.4
79.05491	1.2
81.03411	1.1
81.04540	14.1
81.04983	1.6
82.02934	3.7
82.06580	2.6
83.00792	1.1
83.01332	1.3
83.06088	1.7
83.97629	1.0
84.08130	2.6
85.02887	1.7
87.04427	0.8
95.01964	1.5
95.06079	4.9
96.04441	0.8
96.08144	2.7
97.02877	1.8
97.07645	4.8
98.97584	3.4
100.02479	1.9
100.07648	1.3
100.97173	1.6
100.98010	1.4
101.00874	12.4
103.02416	1.1
109.02879	0.9
109.43809	0.7
110.01326	0.8
110.06007	1.0
114.05553	1.3
116.34858	0.8
116.98606	2.6
118.01147	1.1
118.03511	4.6
118.98199	3.7
118.99049	2.5
119.01916	100.0
119.98184	1.0
120.02015	1.3
124.08693	2.4
125.02322	1.0
125.07121	3.3
129.01755	0.9
131.01904	1.3
133.03503	0.9
134.99655	1.8
136.04578	4.1
136.99248	3.5
137.00134	2.3
137.02948	49.8
137.99326	1.1
138.03081	0.8
142.01807	1.2
142.03503	8.1
142.08646	2.4
142.09705	1.3
143.03387	7.3
143.08182	1.8
160.02821	2.1
160.04552	6.4
161.02919	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	7.0
54.43769	1.0
56.03777	2.2
56.05033	16.8
56.66567	0.9
56.96563	48.2
57.04551	2.1
57.93554	2.8
58.02956	1.5
58.06598	1.3
58.39042	0.9
58.95395	1.1
59.06114	3.8
60.04523	1.0
61.03997	0.9
67.05499	1.6
68.05016	5.6
69.04559	1.8
70.74836	1.8
70.75166	2.1
71.06106	3.5
71.07952	1.0
71.95251	6.5
72.04489	1.3
74.33415	0.9
77.75053	0.9
80.05022	0.9
81.04538	9.2
82.02928	3.3
82.05299	1.8
83.04993	1.0
83.06092	10.1
83.45449	0.9
83.52892	1.0
84.04493	3.3
86.63459	0.9
87.05592	0.9
94.06570	2.3
95.04975	1.4
95.06081	15.1
96.04494	3.2
96.05618	8.5
97.06380	2.8
97.07635	1.5
98.07160	8.1
98.97578	67.6
99.05578	6.5
100.06339	1.9
112.03970	1.7
113.02380	1.6
113.07124	5.4
116.97218	4.7
116.98611	88.6
117.98926	1.2
122.03249	1.0
122.06207	1.4
122.07144	7.8
123.05540	10.4
134.99646	100.0
135.03102	4.6
135.80264	1.1
136.00073	1.6
136.02742	1.7
140.00195	2.0
140.03348	1.5
140.07133	1.3
140.08168	17.0
141.01852	3.0
141.06555	2.4
153.00694	25.0
153.04135	1.2
158.01266	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82253	0.9
51.92570	0.8
56.70571	0.8
56.96562	45.4
57.96451	1.0
69.88207	5.4
71.20453	0.8
71.95261	6.9
80.83138	1.0
88.38022	0.9
98.97580	90.0
116.98615	100.0
118.65977	1.0
122.05968	1.3
134.99654	77.7
140.00195	2.9
140.06010	1.8
153.00713	15.1
154.22174	0.9
154.66441	0.9
158.01248	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00322	0.6
53.03938	3.7
54.03473	3.4
55.01879	9.4
55.02993	0.8
55.05509	8.2
56.03759	1.6
56.05035	8.5
56.96563	22.3
57.03415	0.7
57.04551	0.8
57.93567	2.2
58.02946	1.0
58.06588	1.4
59.04988	1.3
59.06109	2.4
65.03938	25.0
66.03512	0.5
67.01862	5.8
67.02995	1.0
67.05169	1.0
67.05502	10.4
68.05029	2.3
68.99438	1.1
68.99790	16.6
69.03425	6.9
69.04544	1.2
69.07055	1.9
69.44038	4.3
69.44449	1.1
70.02972	0.5
70.06586	2.8
71.01353	3.2
71.06110	2.7
71.95256	3.1
72.04519	0.9
72.95808	0.7
79.01864	0.9
79.05482	2.1
80.05004	1.6
81.03410	0.8
81.04543	5.1
81.07047	0.8
82.02936	1.6
82.05338	1.0
82.06565	1.1
83.04980	13.7
83.06086	6.7
84.04510	2.7
84.05642	0.6
91.05474	2.6
93.03401	12.7
93.07036	4.0
94.06555	1.4
95.04961	8.1
95.06088	6.4
95.08589	1.9
96.04509	1.0
96.05626	5.8
96.08097	0.7
97.02886	5.1
97.06468	5.5
97.07645	2.6
98.06081	0.8
98.07173	10.8
98.97579	20.8
98.98491	3.5
99.05575	3.5
100.06380	0.8
105.04546	0.8
110.03687	0.8
111.04437	47.9
111.08066	1.1
111.09213	0.6
112.03972	1.6
112.04719	1.3
112.05949	0.7
112.07584	0.7
112.08765	4.0
113.07124	3.1
115.03949	0.6
116.97361	3.9
116.98615	34.8
121.02867	5.3
121.03982	0.8
121.06506	1.3
121.10136	1.0
122.06254	1.0
122.07152	7.3
123.05547	7.7
124.05242	0.9
125.02380	0.7
132.00490	0.6
134.02983	0.7
134.99649	50.4
139.03899	100.0
139.07585	2.9
139.08701	1.5
139.09752	7.1
139.11246	1.3
139.12268	1.2
140.00177	1.5
140.03362	0.9
140.04269	5.6
140.07146	1.1
140.08170	8.6
141.06554	1.0
153.00696	13.7
158.01279	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02379	0.2
53.01579	0.2
53.03941	1.2
53.20481	0.2
58.37204	0.2
60.96182	0.2
65.03941	2.4
66.10596	0.2
67.05501	2.1
69.94592	1.0
69.95007	0.4
78.03460	1.2
79.04223	0.5
92.04999	4.9
93.05775	1.7
94.06561	31.2
95.04941	0.4
95.06901	0.7
96.04481	6.0
110.06034	27.6
111.06374	0.7
120.04467	0.2
133.00179	0.2
138.05490	100.0
139.05835	3.8
154.04990	1.1
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
53.03933	1.4
54.03458	0.6
55.01851	1.0
55.05499	1.0
56.03772	0.6
56.05024	0.7
56.96548	0.7
58.06574	0.3
58.26988	0.4
65.03938	3.8
67.05505	2.9
68.05029	2.4
68.05811	0.6
68.58263	0.3
68.99754	0.3
69.03416	0.8
69.04545	1.2
69.07063	0.6
70.02940	1.3
70.06583	0.8
71.36562	0.6
72.04510	0.8
78.03454	2.4
79.02972	0.5
79.04223	2.2
79.05484	0.8
80.05009	2.3
80.05769	0.4
81.04541	0.6
81.07052	0.7
82.02921	0.4
82.06583	2.2
82.07384	0.6
82.49412	0.4
83.04971	1.1
83.06085	1.8
84.05565	0.3
91.05444	0.9
92.05009	2.2
92.05846	0.4
93.03383	0.4
93.04504	1.1
93.05765	1.0
93.07042	1.2
94.06566	5.0
95.03721	0.4
95.04973	2.5
95.06068	0.8
95.07410	0.3
95.08615	0.5
96.04488	30.8
96.06876	0.8
96.08122	0.4
97.04015	1.0
97.04812	0.6
97.06500	1.0
97.07634	1.4
98.04784	1.3
98.07162	1.0
98.98459	1.0
106.02198	0.3
106.02895	0.4
108.03799	0.6
108.04483	6.4
109.05246	1.0
109.06435	0.3
109.07665	0.5
110.06049	6.8
110.06778	0.7
110.09708	0.4
110.10427	0.5
111.03182	1.6
111.04422	4.0
111.05563	2.7
111.09193	0.7
112.08723	0.7
120.04463	1.9
120.05588	1.1
121.02871	1.6
121.03983	0.4
121.06471	0.7
121.07606	1.4
122.07196	0.7
123.04009	0.5
123.06803	1.8
123.07607	0.5
124.03956	5.1
131.62495	0.3
138.01958	1.6
138.05496	100.0
138.09108	2.7
138.10201	3.0
139.03937	2.2
139.04846	0.6
139.05867	3.6
139.07536	0.7
139.08604	0.3
139.09775	1.2
139.11153	0.4
154.04974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
50.77911	1.1
51.02369	1.1
53.03944	6.7
55.01852	2.6
55.05507	8.7
55.91580	1.1
56.96550	1.4
57.07080	7.2
64.08600	1.1
65.03915	4.6
66.04714	5.9
66.07223	1.0
67.04230	1.0
67.05504	40.8
68.05009	1.5
68.05814	1.4
69.03410	1.7
69.07069	5.6
71.57163	1.6
79.05067	1.9
79.05492	22.9
80.04993	1.2
80.05790	1.8
80.06229	1.4
81.03403	3.0
81.07056	77.6
82.06566	1.5
82.07369	3.6
91.05485	14.7
93.07044	12.2
94.04189	46.5
94.06546	4.3
95.04983	13.0
95.06102	1.4
95.08605	100.0
96.04472	3.2
96.08916	3.4
97.06403	1.2
105.04492	1.3
107.04984	6.8
109.06506	12.3
109.10157	7.7
110.06055	5.3
110.07137	2.1
110.09735	1.0
119.04896	1.7
119.08569	1.7
120.04512	1.9
121.02850	1.4
121.06512	2.1
122.03649	50.0
122.07258	5.4
123.03945	2.2
137.02507	8.8
137.05949	64.7
137.09604	6.8
137.13235	4.1
138.01778	4.6
138.05464	14.5
138.06419	3.9
138.09097	2.8
138.10147	1.2
141.32790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03941	5.7
55.01840	1.5
55.05508	7.6
56.96544	2.2
57.07075	10.0
59.12194	1.1
65.03941	5.2
65.62733	0.9
66.04721	8.5
66.15266	1.1
67.05502	41.5
68.05023	1.1
68.05816	1.3
69.03413	1.6
69.04547	1.5
69.07059	9.8
71.19064	2.7
71.94637	1.0
77.03902	1.2
79.05061	1.7
79.05486	20.1
81.03404	4.0
81.07050	80.6
82.07359	2.9
91.05480	13.3
92.04975	1.0
93.07044	11.8
94.04180	41.4
94.06544	3.3
95.04466	1.0
95.04989	8.7
95.08602	100.0
96.04465	2.2
96.05643	2.0
96.08920	4.9
97.06367	3.2
105.04472	1.2
107.04959	6.8
107.08552	1.7
109.06506	11.7
109.10122	6.5
110.06001	2.5
110.07152	2.8
111.05557	1.0
119.04930	1.4
119.08552	1.9
120.04427	2.8
122.03644	42.6
122.07274	6.3
123.03938	1.5
137.02470	8.9
137.05940	54.4
137.09601	8.7
137.13237	5.3
138.01727	1.5
138.05461	11.8
138.06384	3.0
138.09091	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02404	0.9
53.03951	5.2
54.03504	1.1
54.40945	0.6
55.01903	3.3
55.05513	4.2
56.03785	0.9
56.96593	2.1
57.07098	2.0
65.03941	6.2
66.04720	11.6
67.05501	43.3
68.05067	2.1
68.05856	1.3
69.03453	3.4
69.04578	2.9
69.07096	3.0
71.57664	1.4
72.92070	0.8
77.03925	1.4
79.05490	16.4
81.03427	4.4
81.04529	4.4
81.07053	30.1
82.06586	1.3
82.07407	1.1
83.06111	1.2
91.05478	26.0
92.05024	0.8
92.05836	0.9
93.07045	11.5
94.04182	72.0
94.06552	5.0
94.07843	2.1
95.04447	1.3
95.04976	13.9
95.08599	29.8
96.04511	2.2
96.05629	2.2
96.08933	1.4
97.04046	0.8
97.06393	8.3
98.04823	2.0
103.05470	2.6
104.06281	1.5
105.04512	2.1
107.04951	31.4
107.08588	1.4
109.06499	8.2
109.07670	1.0
109.10150	29.3
110.06036	5.4
110.07169	5.9
110.10432	1.0
111.05581	2.0
113.46352	0.7
115.05452	0.8
117.07000	1.7
119.04960	1.9
119.08585	12.6
120.05559	0.8
121.06495	10.1
122.03643	80.5
122.07280	100.0
123.03976	2.8
123.06812	1.4
123.07629	4.2
135.08055	2.9
135.77965	0.8
137.02512	7.1
137.05956	95.3
137.08237	2.6
137.09607	63.5
137.13213	2.5
138.01753	1.6
138.05470	20.3
138.06422	4.3
138.09077	1.6
138.10019	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.7
53.03945	2.8
54.03468	0.8
55.01870	1.3
55.05500	0.8
65.03934	3.8
66.04719	11.1
67.03010	0.3
67.05123	0.4
67.05502	6.1
68.05033	0.6
69.03429	0.9
69.04543	0.9
69.07075	0.5
72.04531	0.6
77.03930	1.3
79.05490	10.5
80.05820	0.4
81.03448	1.4
81.04535	2.0
81.07052	7.2
82.06579	0.3
83.06099	0.7
89.87544	0.3
91.05477	9.0
92.05038	0.4
92.05806	0.5
93.07040	2.4
94.04181	76.9
94.06551	1.5
95.04492	1.2
95.04990	7.5
95.06084	0.9
95.08600	3.6
96.04478	0.8
96.05596	1.2
97.06389	3.7
97.07688	0.4
98.04813	0.5
105.03390	1.2
105.04509	1.1
107.04951	11.2
108.05264	0.4
109.06513	3.7
109.10139	1.9
110.06035	1.5
110.07175	3.4
110.07890	0.5
111.05578	0.7
119.04950	0.8
119.08630	0.7
120.04496	0.8
120.05574	0.4
121.06478	0.5
121.07618	0.4
122.03642	87.3
122.07245	3.7
123.03915	2.8
125.06005	0.6
135.04419	0.9
137.02547	1.9
137.05963	100.0
137.09543	3.0
138.01796	0.6
138.05467	4.9
138.06369	4.1
138.09184	0.7
138.10190	0.5
156.22604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.9
53.03707	0.8
53.03943	10.5
55.01860	1.3
55.05491	1.5
56.96554	1.2
65.03931	4.3
66.04716	9.0
67.05506	3.6
68.99781	1.4
71.09731	0.7
71.10052	0.8
77.03905	1.5
79.05486	46.8
80.00537	0.5
80.05810	1.0
81.03394	1.6
81.07051	20.5
84.34261	0.6
85.46016	0.5
91.05490	5.4
93.07031	1.4
94.04179	25.2
94.04778	1.3
95.04386	1.1
95.04966	19.3
95.08588	3.0
96.04494	0.5
105.03400	2.9
105.04505	2.5
107.04937	2.3
109.06509	63.4
109.10162	0.8
110.06102	1.0
110.06769	2.6
119.04906	0.7
120.04450	1.4
122.03605	4.1
122.07271	1.5
137.02440	2.2
137.05963	100.0
137.09602	1.6
138.01767	1.2
138.05403	1.3
138.05585	0.8
138.06328	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.29962	0.7
51.02376	1.7
52.03560	0.9
53.03941	12.5
55.01849	2.6
55.05503	0.9
56.96552	1.8
60.17515	0.7
62.12059	0.7
63.24697	0.8
65.03944	3.8
66.04715	9.4
67.05232	0.7
67.05502	8.0
69.03418	1.2
69.94854	2.7
69.95258	1.4
77.03909	3.4
79.05489	51.8
80.05840	1.5
81.03411	2.6
81.07053	24.8
87.07972	0.8
91.05039	0.8
91.05480	7.6
93.07030	3.2
94.04182	27.3
94.06580	1.0
95.04385	1.5
95.04968	20.3
95.08591	6.1
96.04469	1.9
105.03393	2.3
105.04508	2.9
107.04942	4.2
108.25227	0.8
109.06510	70.0
109.10126	2.4
110.06074	1.1
110.06835	2.7
113.32601	0.7
119.04972	1.1
119.08582	1.6
120.04454	1.8
122.03615	4.7
122.07295	3.6
137.02505	5.3
137.05960	100.0
137.09537	4.1
138.01750	2.7
138.05441	2.7
138.06331	3.3
138.09106	1.1
139.10223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03937	2.2
65.03930	2.4
66.04720	15.5
67.05492	1.2
69.77970	7.3
72.81782	1.3
79.05482	7.6
81.07040	3.5
90.02214	1.1
91.05472	5.3
94.04185	80.9
95.04491	2.4
95.05014	1.8
105.03400	1.1
107.04945	1.9
114.26222	1.1
122.03644	88.4
123.03987	4.2
130.25331	1.2
137.05971	100.0
138.06270	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	1.3
51.30112	0.5
53.03940	2.9
55.01855	1.4
55.05495	0.7
55.62795	0.6
56.96558	0.7
58.58919	0.5
65.03932	3.3
66.04718	11.5
67.05499	4.7
69.03434	0.5
69.90737	2.7
76.28039	0.5
77.03923	1.4
79.05491	7.1
81.03410	1.5
81.07047	5.8
91.05474	7.7
93.03414	0.6
93.07021	1.5
94.04179	76.5
95.04479	1.5
95.05000	5.1
95.08597	3.2
105.03379	0.9
105.04504	0.6
107.04936	4.2
109.06515	3.9
109.10152	1.3
110.06034	1.1
119.08567	0.8
120.04531	0.9
122.03642	90.1
122.07259	1.5
123.03970	2.9
135.04414	0.9
137.02510	3.4
137.05966	100.0
137.09598	2.5
138.01749	1.4
138.05466	2.2
138.06377	4.1
138.87830	0.5
140.14500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	1.4
53.03939	2.4
54.03470	1.0
55.01878	1.8
55.05510	1.3
56.03771	0.5
56.05044	0.4
56.96560	0.6
58.06588	0.4
65.03941	3.8
66.04719	13.2
67.05134	0.6
67.05502	9.7
68.05014	0.6
69.03438	0.5
69.04560	1.2
69.07072	0.6
69.37414	3.9
72.04534	0.4
77.03936	0.9
79.05486	8.4
79.05910	0.7
81.03438	1.6
81.04534	3.1
81.07053	9.5
82.06586	0.9
83.06111	1.0
89.50636	0.4
91.05474	10.3
92.05790	0.6
93.03397	0.5
93.07057	3.2
94.04182	77.3
94.06583	1.4
95.04497	1.5
95.05018	5.0
95.06067	1.0
95.08602	6.9
96.04503	0.8
96.05618	1.3
97.06394	4.7
97.07677	0.7
98.04792	0.5
105.03381	0.7
105.04512	1.2
107.04952	4.5
109.06522	5.4
109.07654	0.6
109.10157	4.2
110.06048	1.7
110.07198	4.0
111.05556	1.3
119.04914	1.0
119.08571	1.1
120.04456	0.9
120.05579	0.5
121.06477	0.6
121.07636	0.5
122.03642	88.0
122.07269	5.1
123.03961	3.5
135.04424	0.9
137.02527	2.7
137.05962	100.0
137.09567	5.8
137.13225	0.5
138.01761	1.4
138.05464	3.4
138.06393	4.5
138.09126	0.9
138.10210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03947	0.7
53.71030	0.3
54.03473	0.5
65.03928	3.0
67.02985	0.4
67.05505	1.0
68.05034	0.9
71.41552	0.7
71.41901	0.4
76.53568	0.4
79.05486	1.2
80.05012	1.8
80.05819	0.5
81.03416	0.6
81.04565	0.9
81.07059	1.8
82.06598	0.5
82.55676	0.3
91.05479	100.0
92.02489	0.8
92.05807	3.4
93.05772	1.3
93.07060	1.3
94.04080	3.9
94.06570	1.6
95.04958	1.0
95.06080	0.9
96.06867	1.1
97.06370	0.7
107.04938	4.5
108.04612	0.5
108.05312	1.2
108.08105	1.9
109.01103	1.7
109.05150	1.0
109.06509	4.0
109.07647	1.5
110.07169	0.6
112.05096	0.5
113.05893	0.7
117.05740	1.0
118.06551	5.9
119.03584	9.7
119.04935	19.5
120.05282	0.8
121.08937	0.4
122.03664	0.9
133.72485	0.4
136.02173	11.8
136.06194	63.0
136.07565	15.6
136.11165	0.6
137.02435	0.8
137.04587	7.1
137.05963	1.8
137.08087	0.5
137.09515	0.4
138.04858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.8
51.59457	0.9
53.03945	11.7
54.03456	2.8
55.01866	3.1
55.05503	2.5
56.05038	1.4
57.07056	2.1
62.44008	0.8
65.03931	8.2
66.04713	4.6
67.02984	1.7
67.05500	15.8
68.05026	8.5
69.03427	3.2
69.07056	1.3
69.95380	2.5
69.95787	3.4
70.02940	1.0
70.73621	0.8
72.06579	0.8
77.03920	3.0
78.04642	0.9
79.05490	12.8
80.05006	5.8
80.05814	2.9
81.03407	3.6
81.04523	4.3
81.07050	22.4
82.06576	2.2
91.05476	40.5
92.02480	1.4
92.05010	1.1
92.05813	4.9
93.05769	8.4
93.07031	18.2
93.07623	1.1
94.02940	4.7
94.04173	31.5
94.06555	2.1
94.07373	2.3
95.04962	28.4
95.06039	5.9
95.08596	18.9
96.05602	2.9
96.06868	10.7
97.06401	6.4
105.04509	4.2
106.07349	2.0
107.04958	10.6
107.08593	1.6
108.04460	3.2
108.05207	1.1
108.08114	8.9
108.08926	5.3
109.01091	9.3
109.06498	7.2
109.07629	10.7
109.10143	5.3
110.07154	4.7
112.05058	1.2
118.06521	3.5
119.03548	16.0
119.06051	2.1
119.08573	2.8
121.06476	1.8
122.03643	36.5
122.07278	8.6
126.05514	4.3
136.01082	1.8
136.02164	60.9
136.03891	7.6
136.06186	100.0
136.07562	45.8
136.08638	12.8
136.11089	1.2
136.12071	1.9
137.02402	4.1
137.04594	13.7
137.05975	57.3
137.08080	2.8
137.09583	8.7
145.91917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56731	0.2
63.62951	0.2
64.25778	0.2
67.02979	0.9
70.17982	1.1
91.05462	2.1
92.02466	0.9
94.04050	4.4
109.05107	1.1
109.65305	0.2
111.50660	0.2
112.05061	0.6
119.03542	15.0
119.04915	0.7
120.03909	0.3
131.01900	0.4
131.68712	0.3
136.06174	100.0
137.04579	11.2
137.06648	2.0
138.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02990	0.2
65.01385	0.1
66.72024	0.1
67.02985	0.8
69.90650	0.3
69.91059	0.5
82.04063	0.2
91.05481	1.5
92.02485	1.8
94.04052	5.1
99.10398	0.1
102.99429	0.1
107.04883	0.2
109.05131	1.3
112.05092	0.7
117.94241	0.1
119.03545	15.7
119.04939	0.5
120.03889	0.2
136.06180	100.0
136.34608	0.1
137.04579	11.9
137.06610	1.7
138.04958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02386	0.8
53.03942	6.1
55.01871	3.4
55.05268	0.7
55.05511	10.1
57.07068	1.6
58.68129	0.6
65.03937	5.6
67.05505	4.3
68.05022	2.2
69.03416	1.0
69.07059	2.4
70.34813	2.6
72.04509	0.7
77.03906	1.6
77.46600	0.6
78.04708	0.6
79.05492	33.5
80.05013	2.1
81.03412	0.9
81.04542	1.1
81.07040	3.2
82.06593	1.2
91.05479	95.3
92.05824	2.3
93.07040	49.0
94.02946	1.0
94.04053	1.4
94.07355	1.2
95.04964	16.9
95.06107	2.0
95.08610	1.5
96.06876	2.5
103.05473	2.5
104.06252	1.9
105.04529	3.0
105.07029	45.2
106.07250	1.0
106.07878	1.1
107.04952	6.2
107.08591	100.0
108.04521	0.7
108.08215	1.2
108.08863	3.5
109.01093	2.6
109.06513	16.0
109.07647	3.0
113.37456	0.7
115.05450	5.1
117.07001	6.1
118.06525	1.4
119.03592	3.9
119.06074	5.1
119.08581	22.3
120.09382	9.9
124.05226	0.8
133.10146	2.4
135.04425	5.1
135.05534	2.1
135.06525	1.1
135.08058	19.7
135.09010	0.7
135.11681	20.3
136.02161	20.8
136.03932	2.6
136.06187	34.1
136.07545	2.5
136.08662	3.2
137.04601	2.6
137.09650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	1.8
53.03949	8.2
55.01858	4.6
55.05511	11.3
56.96555	2.7
65.03939	6.8
67.02984	2.0
67.05503	22.0
68.05011	4.2
69.03425	2.7
69.07067	8.9
77.03896	1.1
78.04716	1.1
79.05486	80.5
80.05006	4.5
80.05824	1.5
81.03407	2.0
81.07053	23.8
91.05476	61.3
92.02570	1.1
92.05772	1.7
93.05781	4.0
93.07037	88.4
94.02922	5.5
94.04047	3.6
94.06509	1.3
94.07340	2.2
94.07846	1.6
95.04364	1.4
95.04964	20.7
95.06071	2.6
96.06864	2.9
105.04508	4.0
105.07027	19.5
106.07306	1.8
107.04955	14.1
107.06096	1.4
107.08588	74.8
108.04440	1.2
108.08113	2.8
108.08847	1.9
109.01089	11.0
109.05109	1.2
109.06519	8.9
109.07641	3.4
115.05435	4.4
117.06986	4.4
118.04035	1.3
118.06528	2.5
119.03539	14.8
119.06041	2.7
119.08542	4.4
120.09360	1.7
133.10097	1.2
135.04395	11.3
135.05499	3.9
135.06569	3.1
135.08066	26.3
135.09067	1.3
135.11681	28.9
136.02159	100.0
136.03766	11.4
136.06171	92.9
136.07512	8.2
136.08516	3.0
136.12035	2.3
137.04575	10.7
154.05009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
50.68978	0.4
53.03936	1.5
55.01856	1.2
55.05505	0.9
65.03942	4.4
67.05506	2.1
69.03406	0.4
71.03394	1.1
77.03944	0.5
79.05492	17.5
80.05793	0.6
91.05480	41.8
92.05754	0.6
92.06303	2.2
93.07040	3.2
94.04065	0.5
95.04955	3.0
96.06851	0.7
105.04512	0.5
105.06306	0.6
105.07021	10.1
105.07686	0.8
107.04940	2.2
107.08594	8.1
108.08934	0.4
109.01099	0.6
109.06514	4.4
115.05455	9.7
116.06315	0.7
117.07026	1.8
119.03575	0.8
119.06041	0.9
119.08563	0.5
120.05757	2.2
135.08049	100.0
135.11670	1.1
136.02132	3.9
136.03984	0.5
136.06183	5.7
136.08412	4.4
137.04657	0.7
147.09111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03947	5.8
55.01868	8.3
55.05499	3.1
56.96561	5.2
60.05079	0.7
65.03937	10.9
67.02991	1.0
67.05497	8.9
68.05017	3.2
69.03427	8.4
69.07053	1.1
69.38540	7.0
71.95274	0.7
79.05489	64.1
80.05011	3.6
80.05811	2.1
81.03400	1.6
81.07035	3.3
91.05475	100.0
91.64547	0.8
92.02546	0.9
92.05791	3.2
92.06287	1.7
93.05794	1.3
93.07038	32.2
94.02914	2.7
94.04051	2.3
94.07377	0.8
95.04961	15.2
95.06042	1.6
96.04484	0.9
96.06855	2.9
103.05449	1.0
105.04527	1.9
105.07029	27.7
106.07340	1.4
107.04948	10.0
107.06058	1.3
107.08585	47.7
108.04448	1.8
108.08111	1.9
108.08884	2.0
109.01122	6.0
109.05170	0.7
109.06513	14.6
109.07624	2.4
115.05457	23.0
116.05690	1.0
117.07016	14.5
118.06544	1.4
118.07338	1.1
119.03524	6.6
119.06036	4.8
119.08577	4.5
120.05688	2.2
120.09328	1.0
133.10152	1.1
134.04849	1.3
134.62715	0.8
135.04457	6.6
135.05499	2.0
135.06602	2.7
135.08046	36.3
135.11678	7.4
136.02159	62.6
136.03749	5.8
136.06172	58.6
136.07512	4.4
136.08583	3.7
137.04585	6.1
142.79883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03933	1.7
55.01864	0.9
55.05509	0.8
62.38555	0.4
63.55862	0.4
65.03937	4.8
67.05495	3.2
68.05017	1.0
69.03383	0.5
70.39825	1.7
77.03972	0.5
79.05493	20.3
80.05003	0.5
80.05820	0.8
81.03408	0.6
81.07052	0.7
91.05478	40.2
92.05791	1.0
92.06267	1.4
93.07040	4.3
94.04006	0.6
95.04974	4.0
95.06048	0.5
96.06873	0.9
105.07032	10.2
107.04946	2.6
107.08590	10.9
109.01087	1.1
109.06520	4.8
109.07643	0.9
115.05449	9.7
116.06251	0.9
117.07024	1.9
119.03535	1.8
119.06079	1.7
119.08567	0.6
120.05712	1.6
120.09338	0.5
121.51459	0.5
127.71316	0.5
135.04407	1.6
135.08051	100.0
135.11668	1.5
136.02164	7.0
136.03874	0.9
136.06177	13.3
136.08398	4.9
137.04587	1.2
148.33859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02362	0.7
53.03937	2.8
55.01869	13.9
55.05503	1.5
60.32557	0.7
65.03608	1.1
65.03935	10.8
67.05503	7.4
69.03426	12.6
70.82503	1.6
70.82844	0.6
79.05488	47.9
80.05015	0.6
80.05823	1.5
81.07038	0.7
91.05475	100.0
92.05769	3.6
92.06269	2.6
93.05801	0.8
93.07040	11.8
94.02927	1.3
95.04960	11.4
103.05469	0.8
105.04508	1.2
105.07022	31.3
106.07345	1.2
106.33017	0.7
107.04952	6.9
107.08584	43.1
108.04492	0.8
108.08915	1.9
109.01093	2.1
109.06509	17.7
110.06852	0.9
113.58622	0.6
115.05448	31.0
116.06306	1.2
117.06212	1.3
117.07011	17.8
118.07291	0.7
119.03543	1.8
119.06080	5.3
119.08569	2.8
120.05708	1.5
124.05228	0.8
135.04417	2.7
135.05449	0.9
135.08049	27.2
135.11685	3.3
136.02165	22.5
136.03911	2.8
136.06184	15.0
136.07408	1.2
136.08469	1.2
137.04550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.64539	0.4
55.01860	1.8
55.05502	1.0
65.03937	4.7
67.05505	3.3
68.05022	1.0
69.03425	0.7
69.07052	0.4
70.02129	1.7
77.03937	0.5
79.05491	21.3
80.04996	0.9
80.05859	0.5
81.07057	0.7
91.05479	46.1
92.02573	0.4
92.05791	1.4
92.06268	1.5
93.07043	6.1
94.02926	0.8
94.04050	1.2
94.07351	0.6
95.04964	4.8
95.06091	0.6
96.06860	1.1
98.21407	0.6
103.05492	0.7
105.04526	0.8
105.07027	10.7
106.07387	0.4
107.04955	3.3
107.08596	13.0
108.08106	1.3
108.08836	0.5
109.01103	1.1
109.06523	4.8
109.07638	1.5
113.43266	0.4
115.04678	0.8
115.05453	10.0
116.06245	0.7
117.07007	2.5
119.03571	2.1
119.04970	0.6
119.06068	2.4
119.08590	2.1
120.05693	2.1
133.06496	0.5
135.04527	2.2
135.08051	100.0
135.11578	1.9
136.02164	10.3
136.03928	1.4
136.06183	15.7
136.07445	0.8
136.08398	5.8
137.04562	1.9
138.85844	0.3
149.02870	0.4
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	Tetralin
Peak:m/z	Relative Intensity
53.03935	2.3
55.01844	1.3
55.05509	4.5
65.03940	1.7
67.05496	1.1
71.57181	1.8
74.02439	2.7
79.05488	13.5
90.86703	0.9
91.05476	48.8
92.05803	1.6
93.07050	5.9
95.04951	6.0
103.05477	7.7
105.07026	100.0
106.06617	1.5
106.07373	4.4
107.08585	1.0
115.05441	9.6
117.07016	11.1
118.06535	1.2
118.07801	13.3
131.08557	12.9
132.90479	2.7
133.06505	4.6
133.07578	1.5
133.10124	59.1
134.06000	2.1
134.10448	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03943	3.6
55.01865	0.9
55.05504	4.4
65.03929	1.9
67.05497	1.1
69.80939	4.3
74.02436	6.1
79.05483	14.0
87.05579	1.9
88.02203	0.7
91.05476	38.9
92.05780	1.6
93.07038	7.0
94.29243	0.7
95.04948	5.5
95.26534	0.7
98.20846	1.1
102.19425	0.7
103.05449	7.1
105.07021	100.0
106.07354	4.7
107.08598	2.0
115.05444	10.0
116.06205	2.3
117.07008	15.0
118.07799	11.6
123.07951	0.7
129.06967	1.1
131.08557	10.3
133.06523	5.8
133.10118	88.9
134.06012	1.7
134.10423	4.6
142.05437	0.6
145.62218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02359	0.7
53.03946	2.7
55.05508	4.3
58.05330	0.5
65.03935	1.8
67.05473	1.3
70.02940	0.6
70.85788	0.6
70.86128	0.7
74.02434	13.4
77.03913	1.1
78.04713	0.6
79.05486	14.8
81.04549	0.5
82.47499	0.4
84.07377	0.5
84.17622	0.5
87.05597	3.2
88.03986	1.7
91.05476	40.1
92.05802	1.2
92.06297	0.6
93.07035	7.8
93.07561	0.4
95.04964	5.2
103.05457	7.1
105.04550	1.1
105.07023	100.0
106.06640	0.9
106.07353	4.3
107.05006	0.5
107.06031	0.5
107.08586	1.8
115.05443	9.6
116.03439	1.0
116.06257	2.6
117.07008	13.3
118.06519	0.7
118.07809	11.6
119.08124	0.6
123.07970	0.9
129.07040	1.0
131.08557	10.9
133.06546	3.9
133.10120	79.5
134.06020	0.9
134.07048	1.0
134.10452	4.4
139.07529	0.5
143.80910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.02818	0.6
53.03933	2.6
53.41368	0.6
55.05505	4.4
56.15269	0.7
57.53453	0.7
65.03941	1.6
67.05498	2.0
67.21327	0.7
67.60177	0.6
71.57836	0.9
71.58231	0.9
74.02438	2.3
74.98887	0.7
77.03928	0.9
79.05488	13.7
84.75881	0.7
86.74417	0.6
91.05474	43.3
92.05811	2.4
92.06319	0.9
93.07041	5.0
95.04965	4.4
103.05472	7.4
105.03408	0.8
105.07021	100.0
106.06630	1.2
106.07357	3.2
107.08576	1.9
114.26224	0.7
115.05443	11.5
115.06178	1.2
116.06223	1.5
117.07003	12.8
118.07811	12.2
129.06967	1.5
131.08553	12.4
133.02858	1.0
133.06548	4.1
133.10118	57.2
134.06009	2.4
134.06976	0.7
134.09610	0.9
134.10474	2.9
135.18951	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03948	3.9
55.01862	0.9
55.05507	4.3
56.96560	1.0
65.03935	1.3
67.05482	1.3
69.52815	0.9
69.53232	3.7
70.37254	0.5
74.02439	5.9
79.05491	15.0
87.05573	1.0
88.03979	0.8
91.05475	38.2
92.05776	0.7
92.06280	0.7
93.07045	7.1
94.07389	0.5
95.04971	5.0
98.21510	0.7
103.05457	8.2
105.03359	1.0
105.07026	100.0
106.06614	1.0
106.07360	4.1
107.08569	1.4
108.64233	0.5
112.02222	0.7
115.04690	0.9
115.05455	12.0
116.06214	1.9
117.07013	15.3
118.07804	13.2
118.08544	0.4
119.08112	0.7
123.07958	1.0
129.07013	0.7
131.08560	9.8
133.06577	3.8
133.10123	99.3
134.06003	1.3
134.10466	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
53.03944	2.5
55.05511	4.3
60.28856	0.7
61.60968	0.5
65.03938	1.7
67.05504	0.8
69.68641	1.4
69.69039	3.9
74.02441	4.0
74.70667	0.6
77.03922	1.0
78.93589	0.6
79.05487	13.4
87.05621	1.1
91.05478	36.0
92.05810	1.9
93.07038	6.4
95.04968	4.1
97.83700	0.6
103.05449	7.9
105.07025	100.0
106.06621	1.2
106.07364	4.2
107.08601	2.0
107.42985	0.7
115.05452	11.3
116.06245	2.2
117.07013	14.0
118.07809	11.9
129.07018	1.4
131.08563	11.4
132.08914	1.0
133.06525	5.3
133.10123	77.9
134.06058	0.9
134.09613	0.9
134.10468	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.86930	0.3
51.02376	0.9
53.03947	2.1
55.01866	0.8
55.05507	4.8
65.03938	2.0
67.05493	1.6
68.26651	0.3
68.53647	0.3
72.84006	0.3
73.48625	0.3
74.02434	4.3
76.92307	0.3
77.03917	1.0
79.05488	13.3
80.05836	0.5
82.38474	0.3
82.38993	0.3
87.05579	1.2
90.66535	0.3
91.05475	36.5
92.05759	1.5
93.07037	8.6
93.27088	0.3
95.04960	4.8
103.05460	6.9
104.06292	0.6
105.07024	100.0
106.06640	0.6
106.07355	4.4
107.08593	2.3
109.06493	0.5
112.02200	0.3
115.05449	10.3
116.06317	2.0
117.07008	12.3
118.07806	11.7
119.08129	0.5
123.08007	0.8
124.85474	0.3
129.06996	1.0
131.08565	11.5
132.08937	0.5
133.02837	0.5
133.06508	3.9
133.10121	70.9
134.06012	0.4
134.06949	0.7
134.09575	0.6
134.10471	4.0
154.44749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67187	0.5
53.03942	2.8
55.01852	0.5
55.05513	4.9
65.03931	1.6
67.05500	1.5
69.69920	1.2
69.70348	2.0
72.44305	0.4
72.44721	0.4
74.02441	4.2
77.03918	1.0
79.05488	15.0
79.45333	0.4
84.31349	0.4
87.05585	1.0
91.05478	42.4
92.05795	1.7
92.06310	0.8
93.07040	8.0
95.04967	5.0
103.05460	8.5
104.05003	0.8
104.06223	0.6
105.03429	1.1
105.07024	100.0
106.06622	1.0
106.07339	4.4
107.08578	2.3
110.88177	0.4
112.02184	0.4
115.05455	12.4
116.03392	0.6
116.06293	3.1
117.07018	14.1
118.07806	14.1
119.08117	0.6
129.06996	1.2
131.08565	12.5
131.09528	0.9
133.02881	0.5
133.06541	2.4
133.10123	90.3
134.05998	2.0
134.06963	0.6
134.10464	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.00320	0.5
53.03946	2.4
54.98290	0.4
55.01863	1.2
55.05517	3.6
56.96567	1.1
65.03938	1.8
67.05498	2.1
69.23003	5.7
70.02949	0.6
74.02440	8.4
74.92269	0.4
75.41000	0.4
77.03933	1.9
78.04701	0.9
79.05488	14.6
79.31732	0.5
81.04533	0.6
85.53348	0.4
87.05577	2.7
88.03991	0.8
91.05476	36.1
92.05815	1.4
93.07044	7.3
94.07400	0.5
94.51236	0.4
95.04964	5.8
103.05462	7.7
105.03391	2.1
105.07026	100.0
106.06544	1.7
106.07366	3.6
107.08586	1.6
112.02136	0.5
115.05449	10.5
116.06253	1.8
117.07008	12.0
118.04164	0.6
118.06548	0.5
118.07813	11.1
123.07932	1.7
129.07039	0.9
131.08565	11.4
133.02855	2.2
133.06483	9.1
133.07584	1.7
133.10124	68.3
134.03717	0.6
134.06017	3.1
134.07106	1.4
134.09579	0.9
134.10460	3.4
137.04646	0.5
144.04698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29308	1.4
70.02951	7.2
70.06596	2.2
70.64489	4.2
74.02438	100.0
82.74786	1.6
87.05580	30.6
88.03996	8.4
116.03421	7.6
121.93552	1.8
139.25299	1.6
142.77003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
60.04496	1.7
61.01153	1.6
69.18158	1.0
69.38727	10.1
70.02962	7.2
70.96703	1.1
74.02438	100.0
87.02703	1.8
87.05585	29.8
88.03974	8.1
93.66506	1.1
99.00827	1.2
116.03461	9.6
116.96006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
51.02380	0.6
53.03946	2.2
55.01865	1.1
55.05505	2.3
55.77980	0.6
58.05345	1.0
58.06582	0.8
60.04514	1.2
64.66547	0.7
67.05525	1.0
70.02952	6.7
71.97086	0.7
73.59336	0.7
74.02438	100.0
75.02779	0.7
77.03934	1.4
79.05487	11.4
87.05588	28.1
88.03990	8.7
91.05476	20.6
92.05817	1.1
93.07050	3.8
95.04942	3.7
97.56232	0.6
98.02415	1.4
98.20742	2.4
99.00853	0.8
103.05484	4.9
105.03391	1.7
105.07025	59.4
106.06547	0.9
106.07323	1.6
115.05441	5.4
116.03444	9.6
116.06250	0.8
117.07008	6.0
118.07815	4.7
120.09000	0.7
131.08556	7.8
133.02881	1.0
133.06427	5.6
133.07573	1.5
133.10124	34.9
134.07098	1.1
134.10452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05016	0.8
56.96562	1.2
57.05820	0.9
58.06606	0.9
61.01139	1.9
69.07068	20.5
70.82116	1.1
72.60648	0.6
74.02438	1.4
78.13141	0.6
82.30040	0.6
86.09704	100.0
87.02695	2.0
87.10040	1.9
89.65769	0.6
120.00768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
57.03433	1.4
65.03938	2.0
65.24422	0.5
70.86394	0.5
70.86713	0.8
84.06445	0.5
85.04850	0.5
87.76080	0.5
91.05476	100.0
92.05805	3.7
95.04955	1.0
103.05466	9.4
104.05770	0.6
105.07014	0.6
113.07887	0.9
115.05453	6.4
116.06239	22.3
117.05761	0.6
117.06556	0.9
128.06215	2.0
129.07001	13.0
130.07346	1.8
130.24135	0.4
131.04875	1.1
131.08560	56.2
132.06540	0.9
132.08060	1.2
132.08911	3.0
133.06485	1.0
142.10141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
57.03434	1.5
65.03944	1.8
69.03420	0.7
69.49979	4.9
70.03748	0.6
84.04546	0.5
85.04836	1.0
85.08471	0.9
91.05476	100.0
92.05821	4.7
95.04983	0.6
98.21493	1.0
103.05465	6.4
105.07036	0.8
113.07938	1.7
115.05440	9.2
116.06236	24.1
117.05756	0.5
117.06586	1.7
128.06223	2.2
129.07002	14.4
130.07332	1.3
131.04878	1.6
131.06917	2.2
131.08557	57.5
132.06482	1.0
132.08052	1.3
132.08900	2.5
133.06488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01867	4.8
55.05499	6.4
56.05051	4.0
56.96569	76.6
57.03424	14.7
58.05345	4.4
58.06572	6.8
58.96157	4.5
60.04509	4.3
64.63439	3.7
67.05514	5.5
69.03450	4.4
69.44493	34.5
71.95267	4.2
72.04510	13.9
72.08173	6.0
72.93781	16.1
75.05600	13.1
77.00925	5.9
78.52997	4.0
79.05502	6.4
85.04008	4.4
88.51659	5.0
90.94808	6.0
91.05460	8.9
93.07050	5.6
95.01967	4.1
95.04980	4.4
98.97598	26.3
100.02476	38.6
101.00888	6.4
101.02554	3.9
102.02227	4.8
103.02403	5.1
104.04987	5.1
105.00788	3.9
105.07034	34.1
109.52204	10.2
110.31492	3.5
116.98641	36.0
118.03509	32.0
119.01920	100.0
119.03673	7.0
120.02041	8.9
121.01672	5.2
121.03484	4.5
127.02734	5.5
127.03508	23.8
128.01947	30.6
132.05116	57.8
133.05185	7.5
133.06442	5.3
133.10117	12.4
134.99658	66.5
137.02965	83.8
138.03075	11.6
142.03494	40.3
145.03528	7.1
145.04552	17.9
146.02986	12.9
149.97197	6.2
150.02522	3.7
150.05000	6.7
150.06126	65.9
151.06192	4.0
153.00740	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	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.49105	1.3
55.01871	1.5
55.05511	6.9
56.05035	13.8
56.96554	6.2
57.03412	2.3
57.07076	100.0
57.45440	1.3
58.06594	2.2
58.07409	2.4
59.06107	6.1
61.41624	1.3
67.05491	3.3
68.05031	1.8
69.03428	51.0
69.07064	5.2
69.97501	6.3
69.97918	3.4
70.03766	1.8
70.06602	7.5
71.04992	3.8
72.04504	4.4
72.08157	25.4
74.06071	1.5
74.09721	48.6
75.10021	1.7
82.06576	4.7
84.04505	99.5
84.08141	58.6
85.02900	2.6
85.04018	1.9
85.04826	3.2
85.07681	7.7
85.08459	2.7
87.09199	1.8
91.05480	29.3
94.06539	2.2
95.04956	5.8
98.20844	2.2
103.05467	30.0
112.05078	3.4
112.07606	94.7
113.07121	2.9
113.07922	3.9
114.45198	1.5
115.05442	3.9
116.06203	8.4
129.07008	7.1
130.02237	2.2
130.05121	8.3
130.06537	71.6
130.08640	17.4
130.09723	4.4
130.15913	82.0
131.04924	5.1
131.06882	5.0
131.08565	19.8
131.16273	4.2
149.24455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.66807	0.6
58.06585	0.6
63.30298	0.7
65.03930	1.1
67.14857	0.5
72.08167	0.9
78.58929	0.5
85.04832	0.8
85.08488	1.2
86.06070	0.7
86.09707	1.6
90.34334	0.6
91.05476	100.0
92.05807	2.8
92.40388	0.6
95.04998	0.8
98.21564	1.9
103.05464	10.9
105.06994	0.7
113.07924	0.8
115.05452	8.0
116.06234	24.7
117.06551	1.9
128.06219	2.4
129.06999	14.0
131.04933	1.0
131.08560	60.7
132.08916	3.5
133.06470	1.2
143.64442	0.6
148.54462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
53.00303	0.2
55.05502	0.2
56.05030	8.5
56.96553	1.5
57.03430	1.0
57.50393	0.2
60.05641	1.3
61.02919	0.3
65.79764	0.2
67.05489	0.2
69.03423	3.9
69.07056	0.4
70.06200	0.3
70.06584	5.5
71.04987	1.8
71.41092	0.4
72.04499	0.4
72.08146	1.1
81.03398	0.3
82.06577	0.8
83.00746	0.2
84.04498	100.0
84.08132	54.2
85.02894	5.5
85.04822	2.2
85.08456	1.4
87.04470	0.3
88.03990	0.3
95.01340	0.7
98.97581	0.4
102.05534	1.6
103.05463	0.3
112.03986	0.4
112.07587	5.5
113.02391	0.2
114.09168	0.4
116.98619	0.3
119.01839	0.4
122.46181	0.2
130.04999	7.5
130.06134	0.8
130.08630	5.3
130.09654	0.2
134.70805	0.2
134.99687	0.3
146.99603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02380	0.3
53.03936	1.7
55.02977	0.6
55.05496	0.9
56.05035	2.9
56.96562	1.4
57.03424	0.3
57.07068	0.3
58.06597	0.3
59.06107	0.7
60.04509	0.3
60.05611	0.2
63.34164	0.2
67.02969	0.3
67.05501	0.6
69.03427	9.0
69.07073	1.2
69.77147	0.2
70.06573	1.1
70.87161	0.7
71.04977	0.5
72.04520	0.3
72.08149	4.0
72.93770	0.3
73.04039	0.4
77.03918	0.6
81.03397	0.4
81.62585	0.2
82.06567	0.7
83.02448	0.3
84.04500	13.0
84.08139	10.4
85.02884	0.4
85.04846	0.4
85.07671	0.6
86.06070	0.3
88.07621	0.2
90.04305	0.5
91.05489	0.7
95.04963	4.6
102.04675	0.7
103.05461	18.0
104.05029	0.3
104.05774	0.4
105.04498	0.9
112.05076	0.3
112.07598	15.3
113.07925	0.4
113.11537	0.3
128.04956	2.4
129.89830	0.2
130.06519	100.0
131.05991	0.4
131.06866	3.9
142.06609	0.2
146.06017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.123
Annotation	octahydropyrrolo[1,2-a]pyrimidine
Peak:m/z	Relative Intensity
51.02372	1.7
53.00312	2.2
53.03704	2.3
53.03944	32.9
54.03475	8.2
55.01865	11.9
55.05511	11.0
56.05021	5.9
57.03430	5.6
57.07018	1.4
58.06581	2.7
58.43049	1.7
59.06103	1.9
60.04532	2.3
65.67122	1.7
67.01871	2.9
67.05497	7.2
68.05022	14.1
68.99764	1.5
69.03431	8.1
69.05360	1.9
69.07065	56.4
69.14021	1.5
70.02906	1.6
70.06593	8.1
70.57800	6.3
71.01349	6.0
71.04988	12.4
71.06112	6.6
72.08150	2.3
79.05496	1.8
80.05034	1.5
81.03415	85.1
81.04514	2.3
81.07040	3.7
82.03751	4.4
82.06579	19.4
83.06099	5.1
83.08611	6.9
84.04488	5.9
84.08154	3.8
85.07659	2.0
86.06065	4.4
91.05492	7.9
93.07046	11.9
95.01336	2.8
95.07351	2.6
97.07626	3.4
98.09729	2.2
99.04443	7.7
99.05560	2.3
99.09196	1.9
100.07639	4.2
102.30983	1.5
109.02874	82.3
109.07637	9.6
109.84145	1.6
110.02390	6.0
110.03123	2.8
110.06029	4.3
110.09676	36.5
111.09200	10.1
111.90192	1.5
127.03918	100.0
127.04984	9.7
127.08691	6.7
127.12313	62.5
128.04289	5.0
128.07076	4.9
128.10718	4.6
128.12698	2.7
135.60059	1.6
149.53723	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05509	0.2
56.05032	0.5
56.96562	3.7
58.99866	0.3
65.50199	0.2
68.05024	0.6
69.04561	0.4
70.49439	0.4
70.49840	0.3
71.04876	0.2
71.95253	0.3
77.00881	0.5
78.03473	0.2
78.04694	0.4
79.05464	0.3
79.25683	0.2
79.59596	0.2
80.05012	4.1
81.04553	1.0
81.05349	1.0
82.06590	0.4
82.92895	0.9
82.99843	0.4
83.06103	1.0
86.17372	0.2
89.00905	0.2
95.01325	0.2
95.05008	0.3
95.06107	0.2
96.04494	3.4
96.05297	0.6
97.02896	0.4
97.04791	0.3
97.05929	0.2
97.07677	0.3
98.03528	0.6
98.97585	0.4
100.02472	0.9
101.00869	8.3
101.02548	0.5
102.00982	0.6
102.02263	0.3
104.66451	0.2
106.06551	0.3
107.03249	0.3
107.06071	0.7
108.04369	0.7
109.05263	0.5
112.03973	0.6
116.98584	0.2
118.03529	0.9
119.01915	100.0
120.02012	5.6
120.03258	0.3
121.02337	0.3
124.03953	11.0
124.04924	0.4
124.05867	1.7
124.07589	1.3
124.08704	2.2
125.04381	0.3
125.07037	0.7
125.10691	0.2
133.03474	0.4
137.02948	64.2
138.03049	4.0
139.03386	0.2
140.03429	0.3
142.03494	5.6
143.03680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52297	0.1
58.99866	0.3
60.00630	0.1
70.98657	0.3
77.00864	0.1
82.01449	0.1
82.99796	0.8
83.01525	0.1
86.59346	0.1
100.02486	0.9
101.00867	9.0
101.02555	1.1
102.00959	0.5
102.02216	0.6
118.03529	0.9
118.59119	0.1
119.01913	100.0
120.01992	5.7
120.03288	0.2
121.02357	0.4
124.02440	0.2
133.03445	0.2
136.04477	0.2
137.02946	61.0
138.03046	3.8
139.03384	0.3
142.03490	5.7
143.03664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.03469	0.2
54.04287	0.2
54.11026	0.2
56.05030	0.2
56.96566	4.7
57.03438	0.3
58.67893	0.2
58.99865	0.8
60.00654	0.2
60.95877	0.2
68.05025	0.4
70.26728	0.9
70.99847	0.6
77.00909	1.1
78.03460	0.6
79.03770	0.3
79.05485	0.4
80.05015	6.0
80.05484	0.3
81.04562	0.4
81.05352	1.7
81.05760	0.4
82.01465	0.2
82.06573	1.2
82.92884	0.3
82.99851	0.5
83.06116	0.3
84.01571	0.3
89.00881	0.2
92.01308	0.3
95.01948	0.5
95.04964	0.2
96.04488	5.9
96.05262	0.3
97.02907	0.3
97.04833	0.7
98.97587	0.2
100.02471	1.2
101.00865	9.8
101.02562	1.8
102.00961	0.6
102.02197	0.9
107.03245	0.6
112.03972	1.1
116.98619	0.3
118.03513	1.1
119.01914	100.0
120.01990	5.4
120.03197	1.0
121.01582	0.2
121.02378	0.3
124.03949	21.4
124.05899	3.8
124.07593	0.7
124.08697	0.9
125.04292	0.8
133.03468	0.5
137.02950	65.3
138.03043	4.0
139.03329	0.3
140.03400	0.8
142.03485	6.4
143.03642	0.2
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	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03946	6.6
54.03475	2.8
55.01872	1.8
55.03806	0.8
55.05513	7.7
56.05031	3.5
57.07077	4.4
65.03936	3.3
66.03440	0.6
67.05501	36.1
68.05025	3.9
68.05827	1.3
69.04543	0.8
69.07055	2.0
69.30098	5.8
70.06596	1.4
77.03904	0.8
78.03446	1.8
79.05491	24.8
80.05011	33.5
80.05787	1.2
81.03412	1.8
81.04539	5.5
81.07050	100.0
82.01425	1.3
82.04868	0.8
82.05325	1.1
82.06594	1.0
82.07378	2.6
83.05653	1.3
83.06107	4.5
91.05505	1.8
93.07036	6.4
94.07854	1.2
95.01323	0.9
95.04963	34.4
95.06078	2.4
95.08601	27.4
96.04482	22.3
96.05334	1.1
96.08100	1.0
96.08920	0.7
97.07643	5.3
98.20768	0.9
100.02472	13.4
101.02596	1.0
102.36471	0.5
105.04520	1.8
105.07019	2.9
106.02901	1.5
106.07372	1.9
107.06069	5.0
107.06735	0.9
108.05740	4.6
108.07658	3.6
112.03960	13.3
118.03512	17.7
119.01906	12.5
119.03584	1.8
121.06492	0.7
121.10125	1.0
123.04443	6.9
123.05542	45.4
123.07359	2.0
123.08150	13.9
123.09178	2.1
123.09942	3.2
123.11705	12.4
124.03947	27.1
124.05865	1.4
124.07614	2.3
124.08698	9.9
137.02956	8.7
140.03406	5.6
141.05051	1.2
141.11385	0.6
142.03508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01560	0.4
51.02368	0.5
53.03948	6.2
54.03468	1.5
55.01864	0.8
55.05509	6.8
56.05032	2.9
57.03429	0.4
57.07069	4.5
65.03934	2.0
65.16803	0.4
67.04235	0.5
67.05500	20.3
68.05009	3.5
69.04545	0.5
69.07062	3.6
69.09827	0.4
70.06588	1.2
71.56165	0.6
71.56592	0.4
75.60896	0.4
77.03894	0.5
78.03452	1.1
79.05489	22.0
80.05015	15.9
80.05789	0.9
80.21786	0.4
81.03418	0.9
81.04556	3.4
81.07052	100.0
82.05315	0.9
82.06590	0.9
82.07392	1.7
83.05661	0.7
83.06095	4.2
91.05487	1.0
93.07026	3.3
94.07816	0.7
95.04963	30.1
95.06060	1.7
95.08599	17.6
95.53656	0.4
96.04485	9.4
96.05192	0.7
96.06425	0.5
96.08117	0.8
97.07653	2.7
100.02490	3.5
100.92693	0.4
105.04518	1.4
105.07027	1.7
106.02896	1.0
106.06612	0.5
106.07348	1.4
107.04961	0.9
107.06082	4.1
108.05745	3.3
108.07668	2.3
108.09373	1.1
109.02876	0.4
110.66926	0.4
112.03962	4.8
118.03511	3.7
119.01910	5.9
121.06505	0.7
121.10109	1.4
123.04434	4.0
123.05543	18.5
123.07323	1.1
123.08166	7.5
123.09170	1.0
123.09927	2.1
123.11700	17.7
124.03953	12.9
124.04931	0.7
124.05878	1.0
124.07588	0.8
124.08699	7.3
124.12011	0.4
137.02948	3.2
140.03404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03946	2.5
54.03461	0.3
55.01865	0.7
55.05510	6.0
56.05030	0.5
56.96561	0.3
57.03431	0.3
57.07072	3.4
65.03934	2.1
66.04719	0.3
67.05502	22.8
68.05029	0.6
68.05839	0.6
68.99781	0.7
69.07060	2.6
77.03915	0.5
78.03443	0.5
79.05490	21.5
80.05015	9.6
80.05804	0.8
80.06252	0.4
80.36970	0.2
81.03434	0.7
81.07052	100.0
82.01429	0.5
82.07384	1.9
83.06105	0.5
83.08620	0.2
91.05502	0.5
93.07041	3.2
94.07830	0.8
95.01321	3.0
95.04963	9.2
95.08603	14.0
96.04488	6.8
96.08944	0.5
97.07667	0.3
98.21527	0.5
100.02480	5.3
101.02618	0.4
105.03391	0.3
105.04504	0.6
105.07024	1.4
106.02917	0.5
106.06641	0.2
106.07379	0.4
107.04973	0.4
108.05739	1.8
108.07653	0.7
108.09356	0.7
112.03954	4.1
118.03516	6.2
119.01905	2.8
121.06609	0.4
121.10151	1.0
123.00808	0.4
123.04424	2.2
123.05547	13.3
123.08088	6.4
123.09106	0.3
123.09987	0.8
123.11699	10.6
124.03954	8.7
124.04736	0.3
124.05854	0.3
124.07607	0.6
124.08586	0.6
124.12014	0.4
131.40158	0.3
137.02943	2.0
140.03426	1.6
141.05025	0.6
142.94209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.03463	0.7
55.01879	0.4
55.05507	4.3
56.05036	0.7
57.07075	2.8
65.03934	1.3
66.04739	0.3
67.05502	17.1
68.05014	1.0
68.05836	0.4
69.07063	2.1
71.57682	0.5
77.03921	0.4
78.03470	0.5
79.05489	20.5
80.05013	9.7
80.05791	0.8
81.03375	0.5
81.07050	100.0
82.07373	2.9
83.06115	0.6
93.07033	2.4
93.26177	0.4
94.00655	0.3
94.07817	0.9
95.01353	0.6
95.04966	8.1
95.08599	11.4
96.03893	0.6
96.04494	7.2
96.05156	0.5
97.07632	0.7
100.02476	6.3
100.03127	0.4
101.02598	0.5
105.04529	0.4
105.07036	0.7
106.02865	0.4
106.07364	0.4
107.06112	0.6
108.05735	0.7
108.07674	1.1
112.03969	3.6
118.03516	6.8
119.01907	3.9
119.03593	0.6
121.10142	1.0
123.04443	1.3
123.05544	11.6
123.08110	3.8
123.10014	0.7
123.11696	11.5
124.03945	9.8
124.04836	0.7
124.05849	0.5
124.07545	0.6
124.08724	1.0
124.12109	0.4
137.02986	3.0
140.03418	1.7
141.05106	0.5
141.19807	0.4
142.03548	0.3
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
51.02373	0.7
51.39401	0.5
53.03941	5.0
54.03466	2.2
55.01880	0.8
55.05506	8.3
56.05036	2.3
57.07072	4.2
65.03935	3.1
66.03459	0.7
67.05503	28.8
68.05038	2.7
68.05833	0.9
69.07066	3.8
70.06587	1.2
71.57027	0.7
71.57391	0.6
75.41024	0.4
77.03944	0.5
78.03445	0.8
79.05488	21.8
80.05014	20.1
80.05808	1.3
80.06252	0.5
81.03426	1.5
81.04536	3.1
81.07052	100.0
82.04874	0.6
82.05331	0.4
82.06592	0.5
82.07403	2.8
83.06102	2.8
84.77105	0.4
91.05486	1.0
93.07043	5.3
94.07822	0.9
95.01311	0.7
95.04966	19.0
95.06054	0.8
95.08601	25.1
96.04491	11.5
96.06386	0.4
96.08148	0.7
96.08907	0.8
97.07645	3.0
99.26852	0.4
100.02475	7.6
101.02545	0.7
103.05489	0.5
105.04521	1.4
105.07021	1.6
106.02892	1.1
106.07352	0.7
106.63287	0.5
107.06047	3.3
107.07314	0.5
108.05740	1.2
108.07682	1.8
108.09386	0.9
112.03965	5.2
118.03516	9.0
119.01932	8.1
119.03596	0.8
121.10200	0.7
123.04439	3.3
123.05544	22.4
123.07337	0.9
123.08129	10.6
123.09145	1.0
123.09924	2.1
123.11695	13.6
124.03952	15.1
124.05894	1.0
124.07609	1.2
124.08691	7.1
124.58665	0.5
137.02965	5.9
140.03424	2.9
141.06534	0.5
142.03471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02377	0.7
53.03944	2.2
68.05024	0.9
70.32493	0.5
70.32877	0.7
78.03451	17.1
79.03789	0.3
80.05012	64.4
80.23882	0.3
81.05337	0.8
84.52738	0.3
95.04979	1.3
95.06097	0.7
96.04487	22.5
98.20688	0.3
100.02513	1.4
101.00875	1.0
105.04506	1.2
106.02910	24.8
107.03255	0.4
118.01180	0.3
118.03517	1.1
119.01912	7.7
123.05545	100.0
124.03950	5.7
124.05893	2.6
134.47012	0.3
137.02960	3.1
142.03392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03942	2.1
56.96560	1.4
67.05492	0.5
68.05029	0.9
70.59806	0.8
78.03452	2.7
79.05470	0.3
80.05013	66.0
81.05341	1.3
81.07042	0.2
95.04959	2.4
95.06094	0.7
96.04487	20.9
97.04826	0.3
98.97567	0.5
100.02484	0.5
101.00861	0.4
105.04530	0.7
106.02902	3.3
108.55054	0.2
116.98610	0.3
118.03532	0.8
119.01911	3.1
123.05545	100.0
124.03955	4.2
124.05910	1.8
137.02940	2.2
142.03497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02372	0.8
53.03943	3.7
55.01868	10.8
55.05504	1.9
65.03939	8.7
65.93336	0.4
67.05502	48.4
67.75698	0.5
68.05019	0.8
68.05830	0.7
68.99790	4.0
69.78519	2.7
77.03912	0.8
78.03445	0.7
79.05500	3.3
80.04563	0.9
80.05013	12.8
81.03405	0.9
81.04565	0.7
81.07050	12.6
82.01435	1.0
82.05244	0.5
95.01327	0.6
95.04965	54.1
95.08596	3.2
96.04489	6.6
96.05302	1.1
100.02480	11.0
101.00890	0.6
105.04531	1.5
106.02844	0.5
106.07352	0.8
108.05725	1.6
108.07626	1.1
112.03946	3.4
118.03516	12.7
119.01912	6.8
119.03674	0.8
123.04431	100.0
123.05524	15.5
123.08101	3.3
123.10004	1.1
123.11707	1.4
123.72565	0.5
124.03950	7.9
124.04773	2.6
124.07563	0.8
124.08654	1.2
137.02917	5.0
140.03441	1.4
141.05096	1.0
142.03494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.9
51.47515	0.7
53.03712	1.2
53.03946	15.7
53.62834	0.8
54.03469	9.5
55.01864	0.9
55.05508	7.0
56.00433	0.8
56.96577	1.1
58.02939	0.9
58.99586	1.0
65.03947	9.0
65.18243	0.7
67.02993	1.8
67.05502	7.6
68.05018	2.7
69.95715	3.2
69.96120	1.5
70.06581	2.2
76.02191	1.0
77.03935	2.9
78.04749	1.1
79.05491	69.8
80.05014	2.3
80.05839	1.3
80.06290	0.9
80.94401	0.9
81.03413	2.0
81.04541	18.7
81.05795	1.1
81.07044	3.2
82.05319	16.0
87.45760	0.8
91.05479	44.5
92.05811	1.4
93.07041	62.5
94.06559	4.2
94.07384	2.0
95.04968	34.2
95.06061	8.0
99.71148	0.8
103.05468	26.3
104.05787	1.8
105.04532	8.4
105.07027	100.0
106.06536	2.2
106.07262	2.0
106.07913	6.4
107.04926	1.3
107.07333	32.9
111.04426	1.5
112.03975	1.2
119.08577	13.7
121.02872	6.7
121.03973	2.1
121.06503	12.0
121.07466	1.6
121.07616	1.5
121.10143	35.1
121.11033	1.8
122.06116	3.6
122.07149	62.2
122.09658	29.3
122.10448	2.1
123.08067	12.0
129.43643	0.8
133.07619	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02378	1.4
53.03944	8.3
55.01867	1.3
56.96563	10.1
57.03433	0.4
57.19689	0.4
58.99850	0.6
60.04514	0.5
61.02920	0.6
65.03934	0.7
67.05498	4.0
68.05025	1.3
69.04552	4.1
69.88197	0.8
69.88601	1.4
70.98130	0.5
70.99870	0.5
71.95267	0.9
77.00822	1.5
77.03918	3.2
78.03451	8.4
78.04707	0.6
79.02974	0.6
79.03776	0.4
79.05490	0.6
80.05013	54.3
81.03419	1.2
81.05364	0.8
81.07055	1.1
82.01421	0.9
82.05338	0.6
82.92884	0.9
83.00766	0.8
83.06109	0.7
83.50533	0.7
84.01574	0.6
86.01281	0.5
94.04059	1.0
95.04963	79.0
96.04491	24.8
96.05624	10.9
98.20810	0.5
98.97588	4.3
100.02474	9.2
101.00871	9.5
105.03384	2.1
105.04496	4.4
106.02912	15.6
107.06081	0.5
108.04356	1.7
112.03966	0.7
116.98620	3.2
118.01150	1.1
118.03516	9.4
119.01914	100.0
120.05859	0.4
121.02337	0.5
123.04443	17.3
123.05545	72.7
123.06630	7.3
124.03947	44.3
124.05884	1.3
124.07590	1.4
124.08701	1.3
134.99661	1.6
136.02141	0.5
136.04544	1.6
137.02948	57.0
140.03430	0.5
141.05060	0.6
142.03470	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86625	0.3
51.02365	1.0
51.46166	0.3
53.03944	7.6
54.03471	0.4
55.05507	1.5
65.03938	2.6
67.05486	0.7
70.82469	0.7
70.82840	0.7
77.03905	1.8
79.05485	45.1
80.05820	1.4
81.03405	0.8
81.04538	0.5
81.07070	0.4
86.59097	0.3
91.04890	0.8
91.05472	17.2
92.05787	0.4
93.07031	15.3
94.06556	0.6
94.07367	0.6
95.01526	0.4
95.04956	15.6
96.05295	0.6
103.05457	26.2
104.05780	1.1
105.04565	2.6
105.07019	100.0
106.07289	1.2
106.07889	6.5
107.07325	5.5
117.70840	0.3
119.08569	14.0
120.05728	0.3
120.08917	0.5
121.02849	1.2
121.03925	0.7
121.05088	0.4
121.06516	2.7
121.10130	34.6
122.06049	0.7
122.07131	2.6
122.09647	5.5
122.10477	1.7
123.08053	12.4
123.08943	0.6
124.08356	0.6
133.07591	4.4
138.06732	0.9
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	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.86625	0.3
51.02365	1.0
51.46166	0.3
53.03944	7.6
54.03471	0.4
55.05507	1.5
65.03938	2.6
67.05486	0.7
70.82469	0.7
70.82840	0.7
77.03905	1.8
79.05485	45.1
80.05820	1.4
81.03405	0.8
81.04538	0.5
81.07070	0.4
86.59097	0.3
91.04890	0.8
91.05472	17.2
92.05787	0.4
93.07031	15.3
94.06556	0.6
94.07367	0.6
95.01526	0.4
95.04956	15.6
96.05295	0.6
103.05457	26.2
104.05780	1.1
105.04565	2.6
105.07019	100.0
106.07289	1.2
106.07889	6.5
107.07325	5.5
117.70840	0.3
119.08569	14.0
120.05728	0.3
120.08917	0.5
121.02849	1.2
121.03925	0.7
121.05088	0.4
121.06516	2.7
121.10130	34.6
122.06049	0.7
122.07131	2.6
122.09647	5.5
122.10477	1.7
123.08053	12.4
123.08943	0.6
124.08356	0.6
133.07591	4.4
138.06732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01577	0.9
51.02369	3.3
53.03942	27.2
54.03460	3.4
55.01857	2.5
55.05505	1.3
56.96547	2.1
65.03938	10.1
67.05505	1.9
68.05023	2.6
71.32236	1.8
76.58384	0.7
77.03908	3.4
79.05498	11.4
80.05005	1.6
81.03400	2.8
81.04525	7.5
81.05804	1.1
82.05309	10.9
82.96436	0.7
91.05475	80.8
92.05788	2.3
93.04525	1.0
93.07035	59.4
94.06565	3.5
94.07365	2.2
95.04960	71.0
95.05984	7.9
96.05298	2.4
102.04696	1.9
103.05459	100.0
104.05789	3.6
105.04518	13.0
105.07014	12.7
106.06573	1.0
106.07811	1.0
107.07323	8.8
111.04433	1.8
115.80145	0.8
117.35210	0.8
119.08595	1.1
120.05573	0.8
120.08082	0.8
121.02882	4.1
121.04020	2.5
121.06496	66.5
121.08343	1.5
121.10136	4.0
122.06121	1.2
122.07148	23.1
122.09647	8.4
123.08086	1.3
126.88716	0.8
133.27504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	1.2
51.02375	1.9
53.03943	19.3
54.03458	1.5
54.04286	0.3
55.01868	2.9
55.05504	0.6
56.05039	0.5
56.96567	2.1
58.99574	0.9
61.00070	0.4
65.03936	6.6
67.02989	0.6
67.05480	1.0
68.05042	1.7
70.01640	1.1
70.02047	0.9
76.02222	1.0
77.03924	3.4
78.04704	1.0
79.05485	3.7
80.05003	1.6
80.93185	0.5
81.03424	2.5
81.04530	3.7
81.05772	0.6
82.05315	5.5
86.99037	0.4
91.05476	58.4
92.05807	1.9
93.03388	0.7
93.04533	0.5
93.07037	42.6
94.06567	1.5
94.07336	1.9
95.04962	54.9
95.06068	5.4
96.05278	1.7
98.20786	0.5
98.75475	0.4
102.04688	2.2
103.05460	100.0
104.05077	0.3
104.05786	8.3
105.04510	11.3
105.07018	3.9
106.04801	0.5
106.06532	0.4
106.07799	0.4
107.07331	1.6
111.04420	1.2
112.04015	0.4
118.06591	0.4
119.04939	0.4
119.08560	0.6
121.02881	3.0
121.04003	1.2
121.06499	51.7
121.08348	4.1
121.10132	1.6
122.06013	0.7
122.07153	10.4
122.09637	2.6
123.08053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01590	1.3
51.02375	2.4
53.03943	13.0
54.03473	0.7
54.04279	0.4
55.01869	4.3
55.13589	0.2
56.96561	17.8
57.03429	1.7
60.95863	0.5
65.03936	3.8
67.02988	3.4
67.05493	0.8
68.02640	0.3
68.05025	0.4
68.99787	2.9
69.03425	0.7
70.98121	1.0
71.29063	0.5
71.29408	0.4
71.95264	0.8
73.02913	0.9
74.06034	0.4
74.97601	0.7
75.04449	0.3
77.00802	0.7
77.03916	4.4
78.04708	1.1
79.05498	2.4
80.04998	0.8
80.93202	2.5
80.94932	0.4
81.03423	4.0
81.04533	2.9
81.05804	0.4
82.05318	1.0
83.00787	0.6
83.01296	0.3
84.01570	0.4
84.96033	0.6
85.02912	1.2
86.01266	0.4
87.99960	0.3
88.99154	0.8
90.01531	0.4
91.00516	0.3
91.05476	74.7
92.01289	0.8
92.05809	2.3
93.07037	54.1
94.04049	16.3
94.06574	0.9
94.07365	1.8
95.04961	66.2
96.01550	0.2
96.05305	1.4
97.00526	1.2
97.02906	0.3
98.01262	0.2
98.94231	0.5
98.97570	3.1
100.02493	0.7
102.04682	2.6
103.05460	100.0
104.05094	0.4
104.05779	3.4
105.02108	0.3
105.04506	12.8
105.07030	1.3
106.01026	2.1
106.04819	0.3
107.00220	0.5
107.07312	0.3
111.00278	0.4
111.04433	0.9
112.03976	0.3
112.05083	0.4
113.37395	0.3
115.01563	0.3
116.98631	2.6
118.01027	0.5
118.03516	0.7
118.06548	0.6
119.01867	1.2
119.04906	0.3
120.97915	0.6
121.02824	1.0
121.05110	59.2
121.06499	68.7
121.10107	0.6
121.95792	0.7
122.05375	0.7
122.06042	0.5
122.07082	4.3
127.01511	0.8
128.98596	0.7
129.01859	0.7
131.01900	0.5
133.03455	0.3
134.99649	1.6
138.98909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03947	5.6
56.05025	0.9
58.88443	0.7
65.03928	5.7
67.05492	0.7
69.54056	4.0
69.54475	1.1
71.48982	0.6
74.06057	1.6
77.03915	0.7
78.04706	0.6
78.93098	1.6
79.05482	4.0
80.04983	0.7
91.05474	18.2
92.05004	5.2
92.05805	5.1
93.04529	1.2
93.07041	21.4
95.04963	11.1
102.04655	1.2
103.05458	100.0
104.05793	2.3
105.04502	2.0
105.07033	3.8
106.07807	0.6
115.18537	0.7
118.06534	1.6
118.07323	1.0
119.07312	2.2
119.08495	0.6
120.04484	3.7
120.05661	4.1
120.08096	82.0
121.02882	1.4
121.03939	0.9
121.06493	1.5
121.08421	2.4
121.10132	1.8
121.81375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.92905	0.2
55.01855	0.8
55.05506	1.2
56.05034	1.8
56.96562	26.0
58.99865	0.5
60.04502	0.3
60.95840	1.0
63.92943	0.3
65.03934	2.9
67.05488	0.8
68.05021	0.3
69.03411	0.9
69.80983	1.6
71.04948	0.3
71.95252	1.0
74.00635	0.2
74.06083	2.3
74.97623	0.6
77.00902	1.2
78.95257	1.5
79.05481	0.5
81.02914	0.2
81.03405	0.9
82.01425	0.3
83.04971	0.8
84.99755	0.8
87.50014	0.6
88.51681	0.3
88.95456	0.3
89.00861	0.7
89.01712	0.3
91.05469	1.8
92.02628	0.2
92.04993	1.3
92.05798	0.6
92.52750	0.3
92.98663	0.3
93.04531	0.5
93.07030	1.2
94.00276	0.5
95.01939	0.7
95.04970	1.0
96.50562	5.2
96.96314	0.8
96.99754	0.3
98.01414	1.6
98.97564	2.1
100.02477	3.3
101.02530	0.4
102.02211	0.8
102.96844	0.3
103.02416	1.7
103.05467	2.2
105.02186	0.8
105.07040	0.4
105.51059	2.0
106.00278	1.0
106.00951	0.3
106.02653	1.1
106.96519	1.0
107.01874	0.4
107.07399	0.3
108.01334	0.9
108.05058	0.3
111.04438	6.3
113.01894	0.4
115.97023	3.4
116.03117	0.3
116.98609	3.7
117.05654	0.4
118.01141	0.5
118.03516	3.3
118.04299	0.3
118.47298	0.4
119.01916	4.7
119.03586	0.8
119.04926	0.3
120.02007	2.5
120.03248	0.7
120.04481	1.1
120.05575	1.6
120.08095	1.8
120.97888	0.5
121.01628	1.1
121.02791	0.6
121.03499	2.8
121.06493	0.4
122.03613	0.5
123.03214	0.6
123.04026	0.4
124.97561	12.9
127.47802	0.7
131.01892	0.8
132.05083	0.4
133.03554	0.3
133.48918	0.6
133.98088	100.0
134.98126	0.5
134.99652	8.0
136.48347	4.5
137.02940	3.1
138.03030	2.6
138.98943	1.8
139.02710	1.2
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	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
51.02377	0.5
53.03942	1.6
54.04270	0.5
56.05029	0.6
56.96550	0.4
59.06118	5.2
60.04509	0.6
61.02920	0.3
62.49149	0.3
65.03935	13.7
66.04263	0.3
71.56448	0.4
73.35866	0.3
74.06075	1.0
77.03902	0.5
78.04710	0.9
78.93124	0.3
79.05493	3.9
79.85901	0.3
87.05598	0.8
91.05476	100.0
92.04996	2.2
92.05813	3.2
93.04561	0.4
93.07034	3.5
95.04956	3.8
96.05309	1.2
103.05461	10.2
104.05606	0.6
104.06235	5.5
105.04514	0.6
108.85270	0.3
109.06518	0.9
110.06049	0.6
110.22877	0.3
111.04451	0.3
115.05457	2.8
117.07011	10.0
118.06511	0.3
119.04937	9.8
119.06125	2.1
119.06792	0.7
119.08572	30.1
120.04470	1.9
120.05611	2.1
120.08112	5.4
120.08914	0.9
121.03967	0.3
136.05283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03938	1.6
56.05051	0.4
59.06121	4.1
60.04532	0.6
63.02370	0.4
65.03942	15.5
69.25291	4.0
74.06065	0.5
76.93397	0.4
78.04701	0.9
78.93141	0.7
79.05490	4.1
87.05595	0.9
91.05479	100.0
92.05007	2.2
92.05835	2.9
93.07040	3.1
95.04969	3.5
96.05321	1.2
103.05467	10.9
104.05614	0.5
104.06251	5.6
105.04525	0.6
109.06545	0.7
109.41466	0.4
110.06094	0.4
115.05470	2.7
116.96191	0.4
117.07019	10.2
119.03630	0.5
119.04941	11.4
119.06159	1.6
119.06799	0.8
119.08575	27.2
120.04522	1.5
120.05605	2.1
120.08102	5.3
120.08926	1.2
129.61818	0.3
138.48169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50528	1.1
56.05025	1.4
56.96567	13.4
59.06108	2.6
65.01421	2.0
65.03939	18.1
65.51583	1.1
67.02980	7.5
70.51295	1.8
74.06076	2.6
78.92510	0.9
81.03400	2.6
85.38434	0.9
91.05479	100.0
92.02489	18.7
92.05814	2.5
94.64154	1.0
98.01301	1.3
98.97581	1.7
102.81495	0.9
103.05450	2.9
118.03573	1.2
119.01920	3.0
119.03551	72.6
119.04948	14.0
119.06020	1.8
119.08591	1.5
120.01973	0.9
120.05590	1.3
120.08065	1.6
123.07066	1.0
126.39481	1.1
137.02939	2.1
137.04567	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63877	2.7
55.05489	3.4
56.96561	12.7
58.99838	2.6
59.06120	24.4
59.08876	2.7
60.04510	12.1
65.03929	10.2
65.62426	2.2
67.05505	14.4
69.03419	5.9
70.28970	5.2
70.29357	6.4
78.93104	3.7
79.05489	6.7
80.02937	4.1
80.06239	5.7
81.07032	4.2
81.35498	3.0
88.76917	2.8
89.51529	2.6
91.05477	100.0
92.05000	4.0
92.05821	2.6
93.07047	4.7
95.04969	5.0
98.52161	2.6
100.02474	11.0
101.00873	7.6
101.07140	3.5
103.02470	12.7
107.05247	9.7
107.55322	2.9
111.04486	3.6
116.05759	8.5
118.03503	12.0
119.01919	82.5
119.03671	3.9
119.06070	7.7
119.08614	12.9
120.02015	2.9
120.04480	3.0
121.03462	19.5
121.22415	3.0
126.58018	2.7
129.04005	5.2
133.03445	3.7
134.99651	3.4
136.02136	2.8
137.02954	59.2
137.03984	2.2
138.03011	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	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02377	0.4
53.03943	1.6
55.01884	0.2
56.05029	0.3
58.06594	64.3
59.04993	0.3
59.06120	2.7
59.07377	55.2
60.07713	0.6
65.03950	0.5
70.99834	0.6
72.08150	0.3
83.26796	0.2
87.05570	0.8
89.64520	0.3
91.05479	5.1
95.04961	4.7
96.04475	0.3
98.05413	0.2
98.32150	0.2
102.05512	0.3
105.04512	0.7
110.20958	0.2
117.07005	0.3
118.06535	2.6
118.08645	100.0
119.04877	0.3
119.06085	1.2
119.09046	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03945	0.8
55.05511	22.5
56.05031	0.7
56.05836	0.5
57.05813	1.8
58.06597	6.1
58.07559	0.2
59.05000	0.9
59.06114	0.9
59.07380	5.1
70.06591	1.0
70.72796	0.7
71.35810	0.2
72.04514	2.7
72.08154	100.0
73.08491	1.9
82.06583	0.3
87.04483	0.4
91.05484	2.0
95.04975	0.6
100.07626	0.4
118.06551	0.3
118.08652	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	1185.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04976	4.9
83.08611	3.2
85.02898	61.2
86.06058	0.3
87.04454	1.0
91.05465	6.5
91.70506	0.3
93.06541	0.2
93.07035	9.7
95.01328	2.2
95.04959	2.4
95.08597	25.9
97.02882	12.0
97.10150	2.2
98.21471	0.6
99.00823	0.5
99.04443	3.9
101.02370	48.9
103.03930	0.9
103.05483	0.5
105.07021	14.1
107.04920	0.3
107.08581	18.3
109.02865	1.2
109.06528	0.9
109.10146	20.8
111.04434	5.2
111.11708	1.6
113.02344	1.2
113.05985	0.3
115.03920	6.1
115.05442	0.6
117.05490	1.0
117.06995	1.5
119.08570	18.4
120.09339	0.3
121.10133	15.9
123.04437	0.6
123.11698	9.2
125.02371	0.3
127.03907	13.5
129.05472	11.3
129.06982	0.6
131.03407	0.3
131.08565	3.6
133.04964	1.7
133.10120	14.9
135.04446	0.3
135.11678	11.7
137.13245	3.8
139.03873	1.8
141.01819	7.2
143.08569	1.2
144.09308	0.5
145.04945	100.0
145.10103	7.5
146.05304	0.4
147.06509	4.8
147.10492	0.7
147.11674	12.4
149.13249	7.8
151.03865	0.3
151.14781	0.7
153.05429	0.4
157.04944	0.6
157.10139	1.4
158.10899	0.6
159.02888	2.6
159.11688	7.7
160.12529	0.6
161.13243	11.4
163.06042	1.1
163.14812	8.6
165.16426	0.3
169.04921	0.8
171.06496	0.8
171.11690	1.3
172.12387	0.5
173.13263	5.3
174.13989	0.4
175.14818	7.7
177.16376	13.9
179.17967	1.6
185.13269	1.0
186.14043	0.5
187.14801	7.0
189.16367	18.0
190.16673	0.4
191.17931	18.9
199.06065	0.5
199.14804	1.1
201.16365	10.8
203.17935	15.4
205.19496	4.9
207.06386	0.3
207.17461	0.8
213.16310	1.6
215.17955	7.4
217.07059	1.7
217.19493	14.7
218.19751	0.3
219.05043	0.8
219.21072	1.9
225.07545	3.2
227.17960	1.8
229.19510	8.2
231.08566	0.4
231.21039	7.2
241.19502	1.8
243.08638	3.1
243.21126	2.8
245.22711	1.4
255.04843	0.6
255.21066	2.9
257.22614	2.5
259.24048	0.5
261.09732	1.1
261.25766	0.3
269.22571	2.9
271.24185	2.0
273.06110	1.4
279.10684	4.1
283.24249	1.3
285.25717	0.6
287.07730	0.8
291.07080	0.9
295.23990	0.4
297.25714	3.2
299.27341	0.3
305.08698	1.3
307.10181	1.4
309.08109	1.0
311.27347	0.7
323.09714	0.6
323.27078	0.5
325.28833	0.6
336.28415	0.4
337.28839	1.1
349.23926	0.5
351.30527	0.5
365.32117	0.6
383.20718	0.5
405.34970	0.4
407.36685	54.1
408.37064	1.6
425.37744	3.7
553.42694	0.9
601.40686	1.1
896.80927	0.3
898.64246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03945	0.4
55.01868	0.2
56.05032	0.2
58.06597	72.9
59.05000	0.4
59.06120	0.8
59.07378	56.3
60.07713	0.6
60.08162	0.3
65.03933	0.2
70.17207	0.2
70.17621	0.3
72.08163	0.2
74.06052	0.2
77.03943	0.1
79.05476	0.1
87.05581	0.1
91.05480	1.9
91.44547	0.1
91.48527	0.1
92.03825	0.1
95.04958	1.8
96.04455	0.1
100.07627	0.2
102.05508	0.2
105.04487	0.4
115.90207	0.1
116.05815	0.1
117.07029	0.1
118.08648	100.0
119.04826	0.1
119.06077	0.4
119.09030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17420	1.0
53.03937	1.8
56.56852	1.0
58.06599	77.6
59.06111	3.9
59.07381	67.6
71.08354	3.0
80.67329	0.9
81.99409	0.9
87.05582	1.1
91.05479	4.8
95.04960	4.0
110.70573	1.0
112.60313	0.9
118.06503	3.0
118.08650	100.0
119.06072	1.6
130.73434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.0
53.03944	16.5
54.04301	1.3
56.05030	2.3
56.96582	1.2
58.02953	2.1
58.06590	3.6
59.06123	6.1
59.07355	1.1
59.93097	2.1
60.04518	4.0
65.03944	6.0
70.47681	1.0
71.06649	1.5
72.04514	4.9
72.08154	5.2
75.05618	1.3
76.93371	14.8
77.03910	2.5
89.07404	1.2
91.05479	82.2
92.05817	1.2
94.94403	5.0
95.04964	34.4
97.05052	1.1
105.04517	6.0
106.32709	1.3
112.95450	1.6
113.04649	1.0
115.88212	1.0
117.05772	7.4
117.95974	1.6
118.06544	100.0
118.08669	3.6
119.04948	3.9
119.06078	1.7
119.06886	3.3
119.08579	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	118.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03940	1.9
53.18779	0.3
58.06596	66.3
59.04990	0.4
59.06123	4.9
59.07378	52.5
60.07711	0.5
65.03940	0.6
71.48611	0.4
72.08161	0.3
72.59535	0.3
74.06070	0.3
77.03917	0.5
81.03443	0.3
83.91774	0.2
84.15157	0.3
87.05569	1.4
91.05476	5.1
92.04995	0.3
95.04962	6.0
104.67305	0.3
105.04491	1.4
110.06047	0.3
117.07016	0.5
118.06610	2.7
118.08646	100.0
119.05040	0.3
119.06073	1.6
119.06808	0.3
119.09109	1.5
119.50541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02388	0.3
53.03947	1.8
58.06598	72.7
59.04998	0.3
59.06118	2.6
59.07379	56.7
60.07707	0.8
65.03946	0.3
71.11069	0.7
72.08172	0.4
74.06097	0.4
77.03924	0.4
79.05518	0.3
87.05559	0.3
91.05476	4.5
95.04958	4.2
96.04478	0.5
105.04503	0.5
118.08649	100.0
119.04978	0.3
119.06075	0.8
119.09068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02374	0.4
52.43607	0.4
53.03942	1.6
57.87038	0.4
58.06597	2.7
59.07381	2.8
59.93112	0.4
65.03937	0.8
69.88905	2.1
72.04519	0.4
72.08162	0.5
76.92972	0.4
76.93354	2.6
77.03905	0.4
80.85933	0.3
91.05475	50.9
92.05786	1.2
94.94398	1.4
95.04962	6.2
100.24809	0.4
105.04496	1.2
112.95414	0.4
115.05448	100.0
116.05750	2.7
116.06306	1.5
117.07009	94.3
117.95987	0.5
118.06523	3.4
118.07345	3.3
118.08643	6.5
133.06525	0.4
135.96968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.02375	1.3
52.54311	1.4
53.03938	7.1
56.05021	1.2
58.02949	1.7
58.06604	1.5
59.06114	4.3
59.93091	1.4
60.04519	1.5
60.06446	1.4
65.03924	2.5
70.81534	4.1
72.04510	3.6
72.08157	3.0
76.93359	10.7
77.03922	1.4
91.05480	62.1
92.05806	2.4
93.41120	1.3
94.94389	2.3
95.04965	15.3
117.05775	7.7
118.06540	100.0
119.06091	1.6
119.06860	2.8
119.08571	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01595	1.6
51.02378	7.1
53.03944	41.1
53.04202	2.1
55.01856	3.2
57.79127	0.8
58.06588	2.9
59.07373	2.3
59.93100	1.0
62.49672	0.8
65.03925	3.8
67.05498	0.9
76.93364	6.1
77.03923	8.4
78.04692	1.4
79.05489	5.7
81.03414	4.2
91.05476	100.0
92.05814	2.2
93.07024	3.3
94.94392	2.4
95.04962	96.6
96.05302	1.9
98.20698	1.8
103.05473	7.5
104.06232	9.4
105.04517	16.5
109.06533	1.2
115.05424	5.0
116.05771	6.6
117.07004	19.1
118.06544	47.0
118.07341	4.6
118.08632	4.3
119.06084	1.3
119.06837	1.7
119.08572	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	1153.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02983	0.1
81.03410	0.8
81.07049	0.7
83.04974	2.3
85.02892	5.2
85.06497	0.2
87.04420	0.1
88.77660	0.1
91.04961	0.1
91.05470	1.1
93.06482	0.1
93.07031	1.3
95.04957	1.2
95.08604	0.3
95.61023	0.1
97.02876	0.5
97.06519	1.5
99.04447	0.8
101.06011	0.1
103.05430	0.3
105.03355	0.2
105.07014	2.6
107.04940	0.5
107.08582	1.0
107.64455	0.1
109.02872	0.5
109.06504	0.8
111.00804	0.5
111.04431	0.9
111.08080	0.1
113.06008	0.1
113.75272	0.1
115.03858	0.1
115.05410	0.2
116.06150	0.1
117.07007	0.7
119.04915	0.4
119.08561	0.6
121.01990	0.1
121.02850	1.9
121.05666	0.1
121.06483	1.1
121.10127	0.5
123.04381	0.3
123.08031	0.1
125.05974	2.1
127.03897	0.7
127.07543	0.3
128.06187	0.2
129.04486	0.1
129.05467	1.1
129.06947	0.4
130.07774	0.4
130.38817	0.1
131.04857	0.1
131.08549	0.9
133.02831	0.4
133.06508	0.4
133.10103	0.3
135.04378	0.2
135.08017	0.2
135.11641	0.3
137.02341	0.5
137.05959	0.6
139.07518	0.3
141.06926	0.2
142.07686	0.1
143.06987	2.1
143.08536	0.3
144.09352	0.3
145.04904	0.1
145.06439	0.6
145.10103	4.1
147.04398	0.5
147.06566	0.3
147.07962	0.3
147.11653	0.2
149.05902	0.1
149.09592	0.1
151.07513	0.5
153.01808	2.1
153.05423	0.2
153.06874	0.1
154.07729	0.3
155.07002	0.1
155.08514	0.2
157.05032	0.1
157.06421	0.4
157.08559	0.3
157.10004	0.1
158.07236	0.4
159.06537	0.1
159.07991	0.4
159.11676	1.7
161.05922	0.1
161.09535	0.2
161.13222	0.1
163.06044	0.1
163.07491	0.1
163.09856	0.1
163.11168	1.6
165.01819	1.3
165.05499	0.1
165.06944	0.1
167.07034	0.3
167.08340	0.1
168.07346	0.1
169.10092	0.6
171.04410	0.2
171.06488	0.1
171.07925	0.1
171.11661	0.1
172.08815	0.2
173.05928	0.1
173.09601	2.3
175.03864	0.1
175.07538	0.2
177.05507	0.1
177.09100	0.1
177.12767	0.6
179.08452	0.1
181.04877	0.2
181.06348	0.1
181.12204	0.1
183.02840	0.6
185.05974	0.2
187.11151	3.2
189.05305	0.1
189.09070	0.1
189.12703	0.2
191.07022	0.1
191.10641	1.6
197.05960	0.2
197.09573	0.3
203.07018	0.1
203.10664	0.1
205.12199	3.0
207.13704	0.1
209.11710	1.0
213.05424	1.0
215.10652	3.1
221.11789	0.1
223.13205	0.3
229.04967	0.1
231.06474	0.6
233.11697	3.0
234.12164	0.1
239.09102	0.2
241.04901	0.7
251.12753	3.0
257.04608	0.1
257.09930	0.1
258.05203	0.8
259.06055	0.4
269.04388	0.2
269.13809	1.4
275.11258	0.1
286.04749	0.1
287.05453	100.0
288.05777	2.1
299.05515	0.4
300.06335	0.1
311.05566	0.2
325.07056	0.1
329.06448	1.1
351.08759	0.1
353.06375	0.3
359.15033	0.1
361.16327	0.1
365.06573	0.1
377.15631	0.3
379.07977	0.1
379.17361	0.1
383.07541	0.1
395.07932	0.1
395.16943	1.2
397.08981	0.4
397.18475	0.1
413.09177	0.1
413.18042	2.0
415.10266	0.3
431.09720	0.1
433.11249	0.8
449.10739	26.2
450.11130	0.5
457.11081	0.1
505.20721	0.1
541.23053	0.1
559.23260	0.1
595.16425	0.6
657.76166	0.1
681.21649	0.1
699.22760	0.2
776.29413	0.1
839.51727	0.1
843.27301	0.1
861.27063	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	1153.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	0.7
81.06646	0.1
81.07045	0.6
83.04979	3.2
85.02901	6.9
85.06491	0.1
87.04440	0.2
91.05485	1.0
93.06485	0.1
93.07039	1.1
95.04965	1.0
95.08579	0.2
97.02382	0.1
97.02883	0.8
97.05926	0.1
97.06522	1.9
97.81601	0.1
99.04449	0.7
100.08633	0.1
101.05992	0.2
103.05424	0.2
105.03362	0.2
105.07027	2.6
107.04952	0.7
107.07954	0.1
107.08589	0.8
109.02882	0.6
109.06520	0.7
111.00797	0.4
111.04433	1.1
111.08042	0.1
113.05950	0.2
115.05409	0.2
117.05495	0.1
117.07010	0.7
119.04960	0.4
119.08577	0.6
121.01994	0.1
121.02858	1.6
121.05670	0.1
121.06495	1.7
121.10061	0.1
123.04450	0.1
123.08032	0.1
125.05991	2.8
127.03902	0.7
128.06250	0.3
129.05469	1.6
129.06944	0.5
130.06876	0.1
130.07768	0.4
131.04889	0.1
131.08560	0.9
133.02853	0.4
133.06487	0.5
133.10107	0.2
135.04359	0.2
135.08026	0.2
135.11668	0.2
137.02342	0.5
137.05943	0.5
139.07509	0.2
141.05470	0.1
141.06929	0.2
142.07733	0.1
143.07030	1.9
143.08568	0.4
144.05685	0.1
144.09354	0.3
145.04924	0.3
145.06474	0.6
145.10117	3.8
147.04407	0.4
147.06502	0.4
147.08002	0.2
147.11685	0.3
149.05878	0.1
149.09540	0.1
151.07530	0.5
153.00558	0.1
153.01819	2.0
153.05432	0.2
154.07709	0.3
155.08492	0.2
156.09290	0.1
157.05287	0.1
157.06488	0.4
157.08569	0.3
157.10089	0.1
158.07262	0.5
159.08055	0.5
159.11687	1.4
161.05934	0.1
161.09625	0.2
161.13229	0.1
163.06017	0.1
163.07480	0.1
163.11177	2.1
165.01822	1.2
167.06982	0.1
169.04947	0.1
169.06409	0.1
169.10127	0.5
171.02998	0.1
171.04433	0.2
171.06573	0.1
171.08000	0.1
171.11668	0.2
172.08813	0.2
173.05910	0.1
173.09613	2.8
175.07498	0.1
177.05511	0.1
177.12721	0.5
179.08511	0.2
181.12201	0.2
182.07281	0.1
183.02882	0.6
185.05960	0.3
185.09509	0.1
187.11180	2.8
188.11406	0.1
189.05504	0.1
189.09143	0.1
189.12714	0.2
191.10670	1.1
197.06070	0.1
197.09612	0.5
199.03821	0.1
199.06003	0.1
203.03586	0.1
203.07013	0.1
205.12234	2.2
209.11716	0.5
213.05466	0.9
215.10663	3.1
221.11623	0.1
223.13266	0.2
224.50087	0.1
227.12761	0.2
229.05075	0.1
231.06549	0.6
233.11708	3.7
237.07585	0.1
239.09126	0.3
241.04936	0.6
243.06592	0.1
245.15468	0.1
251.12779	2.3
255.08536	0.1
257.04446	0.1
258.05243	0.8
259.06024	0.4
269.04410	0.2
269.13898	0.5
275.11258	0.1
279.12402	0.1
285.93668	0.1
286.04578	0.1
287.05481	100.0
288.05811	2.0
297.07440	0.1
299.05530	0.6
311.05472	0.2
325.07001	0.1
329.06512	0.8
337.07083	0.1
341.06796	0.1
343.15555	0.1
353.06357	0.3
361.16382	0.1
365.06659	0.1
377.15909	0.1
379.07993	0.1
379.17673	0.1
395.07867	0.1
395.16937	0.6
397.09271	0.5
397.18454	0.3
413.09119	0.1
413.18008	1.3
413.23093	0.1
415.10071	0.3
431.09525	0.2
433.11282	0.7
449.10785	22.8
450.11023	0.6
523.21765	0.1
541.22717	0.1
559.23553	0.1
595.16785	0.4
610.19727	0.1
615.14789	0.1
699.22833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.03463	1.1
55.01872	2.8
55.02990	4.5
55.05508	26.4
55.93524	1.4
56.03760	0.5
56.05034	3.7
56.05829	0.5
56.96561	100.0
57.03421	1.7
57.04554	0.9
57.05340	0.3
58.02954	1.0
58.06593	1.4
59.03743	0.6
59.04998	2.6
59.06939	0.4
60.04522	0.7
60.05646	11.2
60.95856	0.8
66.03468	0.3
67.02969	1.3
67.05503	0.5
68.02190	0.5
68.05024	6.4
68.05837	0.4
68.99792	0.9
69.03426	3.0
69.04541	1.5
69.07059	3.9
70.02939	2.7
70.06590	4.1
70.90285	0.6
70.90680	0.7
70.98111	1.1
71.01354	0.4
71.02456	1.6
71.03297	2.3
71.04994	0.8
71.06074	0.5
71.06905	0.3
71.94104	0.9
71.95261	2.1
72.04517	3.7
72.05635	18.8
72.08150	29.2
72.93784	72.1
72.96036	1.3
73.04024	1.2
73.06435	1.3
73.07675	0.8
73.08494	0.5
73.93822	1.0
74.04398	0.5
74.04815	8.7
74.06078	1.3
74.50003	0.5
74.97603	2.4
75.01025	0.4
77.00823	0.5
79.05483	3.1
80.05012	2.5
81.04549	0.4
82.02943	0.4
82.04848	0.4
82.05311	0.7
83.00786	0.7
83.01320	0.9
83.50089	0.3
83.50537	6.9
83.97630	5.4
84.01556	0.7
84.04490	0.5
84.05634	0.3
84.08125	0.6
84.96016	0.4
85.02857	0.6
85.05245	0.3
85.07650	0.6
86.01325	0.3
86.06056	3.2
86.09701	0.9
87.04457	1.3
87.05587	2.0
88.05112	1.0
88.99160	0.9
89.00751	0.3
90.94822	23.4
91.00519	1.0
91.94853	0.5
92.51061	3.1
95.01315	1.0
95.01898	0.4
96.02763	0.5
96.04472	1.0
96.05598	1.2
96.08127	2.6
97.01186	1.9
97.02833	0.7
97.04038	0.6
97.06480	1.2
97.07645	20.0
97.50266	1.1
97.99165	0.8
98.01269	0.8
98.02391	0.5
98.03505	0.6
98.06033	0.6
98.08003	0.4
98.97572	1.2
100.02468	1.2
101.98660	2.3
102.02258	0.4
102.51265	0.7
104.01869	0.3
106.01015	0.6
106.50782	0.6
107.00218	0.5
108.95863	8.0
108.97031	0.3
111.02784	0.4
111.51852	1.8
112.07588	0.4
113.96392	3.3
113.98670	0.7
114.02688	1.0
114.03136	0.3
114.03833	2.9
114.05536	3.7
114.06680	3.0
114.09153	13.1
114.10268	39.0
115.00571	0.4
115.01542	0.4
115.03905	1.6
115.06199	0.3
115.08662	1.0
115.10642	0.6
116.00172	0.4
116.98612	1.1
117.51786	0.5
118.03533	1.6
119.01900	1.9
119.99689	1.5
120.52322	0.6
122.05624	0.3
128.98595	0.5
131.01926	0.5
131.97423	4.1
131.99680	2.7
132.05034	2.5
134.99620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	1.4
55.01871	1.8
55.03006	0.6
55.05508	1.7
55.93525	1.6
56.05048	0.9
56.47960	0.6
56.96565	100.0
57.03431	2.1
57.04561	1.4
58.02961	2.0
58.99863	0.8
59.03735	0.6
59.05011	1.1
65.03904	0.6
67.02985	4.2
68.02641	0.7
68.05038	1.5
69.03429	2.9
69.04560	1.1
69.07069	2.3
69.47762	3.4
69.48170	1.2
70.06592	1.6
71.06119	0.8
71.94106	2.6
71.95281	0.8
72.04517	51.5
72.08149	1.8
72.93789	89.4
73.02927	0.8
73.04045	0.7
73.93833	1.3
74.04823	24.3
74.97602	1.2
77.00906	2.2
79.05509	3.2
81.03421	1.3
81.04540	1.7
81.07052	0.6
82.05320	0.7
83.97625	2.0
85.02906	1.0
86.06063	3.1
86.09674	0.6
87.05597	3.7
90.94827	24.6
92.87212	0.6
96.04496	0.6
96.05601	1.4
96.08121	1.3
97.04009	1.1
97.06479	1.6
97.07651	1.0
100.02480	5.3
100.52447	1.3
101.98686	0.7
102.02267	0.9
103.02453	1.0
103.53696	0.8
105.00372	0.9
105.03423	0.6
108.95860	7.8
111.02945	1.8
113.96374	4.3
113.98644	1.7
114.02732	0.9
114.04002	2.9
114.05484	1.2
114.06664	8.0
114.07429	1.1
114.09161	13.0
114.10298	2.8
118.03515	4.1
119.01913	5.2
120.03354	0.8
121.01663	1.1
121.02826	1.1
130.05095	0.6
131.01898	4.6
131.97429	5.8
131.99687	4.1
132.05067	73.2
133.03470	1.5
133.05287	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	113.0348
Annotation	Maleic hydrazide
Peak:m/z	Relative Intensity
53.00293	1.4
53.03930	3.2
54.03476	4.3
54.06407	0.8
55.01857	3.2
55.05308	0.7
55.05509	8.3
55.19151	0.8
55.34807	0.7
56.05036	7.4
56.96563	83.8
57.03437	4.7
57.05784	1.2
58.06590	7.1
60.04504	1.4
60.05630	2.4
62.43539	0.8
65.03924	1.0
67.01872	4.5
67.02970	3.0
67.05501	6.8
68.01398	4.2
68.05023	10.9
68.99759	1.4
69.03425	2.0
69.04520	1.0
69.07050	0.9
70.02949	90.6
70.06588	8.5
70.72339	2.7
70.98118	1.0
71.03277	1.1
71.04968	2.1
71.94099	28.1
71.95261	8.6
72.04514	4.7
72.05629	4.4
72.08148	8.6
72.93786	41.9
72.96055	1.4
73.05281	3.6
74.04811	2.7
74.97602	1.8
77.00816	0.9
78.63103	0.7
79.05466	1.9
81.03412	1.9
81.04540	4.1
81.05785	1.2
83.06084	3.4
83.50546	4.2
83.72556	0.7
83.97635	3.9
84.01569	1.0
84.04488	1.2
84.06870	1.4
84.08127	1.4
85.02895	2.2
85.04062	0.9
85.07705	0.8
85.08476	1.2
86.06066	4.5
88.99135	1.2
89.95119	2.5
90.94820	12.0
92.51021	1.5
95.01360	3.8
95.02438	7.6
95.04964	2.0
95.06094	5.3
96.00850	59.7
96.02741	1.6
96.04478	3.8
96.08127	6.0
97.01187	1.0
97.07659	4.7
98.01306	1.3
98.97547	2.0
100.02477	1.9
108.95859	3.8
113.02346	24.1
113.03475	100.0
113.05402	4.0
113.06027	2.2
113.07134	6.8
113.07910	1.5
113.10743	4.7
113.96404	1.7
113.98692	0.8
114.03790	1.9
114.05515	1.7
114.09154	3.3
114.10285	9.6
115.97747	1.0
118.03500	1.8
119.01913	1.1
131.01898	0.9
131.97433	2.0
131.99652	1.8
132.05070	1.6
134.99669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
78.45463	0.1
79.05491	1.2
81.03423	0.8
81.07056	0.5
83.04979	1.8
85.02896	9.1
87.04424	0.2
91.05457	0.8
93.06988	0.2
95.04965	0.9
95.08556	0.3
97.02887	1.3
97.06490	0.2
99.04460	0.6
101.00246	0.1
103.05420	0.1
105.07011	1.0
107.04936	1.6
107.08537	0.3
109.02864	0.8
109.06469	0.4
109.10145	2.9
111.00753	0.4
111.04434	1.3
115.05443	0.1
117.05443	0.1
117.06952	0.3
119.08575	0.7
121.02848	2.0
121.06414	0.3
123.07990	0.1
125.05960	0.2
127.03904	0.9
128.06215	0.6
129.05479	1.9
129.06947	0.3
133.02805	0.2
133.10138	0.9
135.04335	0.2
135.07965	0.2
137.02274	0.4
137.05962	0.1
137.09604	4.5
143.07048	0.1
143.08537	1.2
145.04907	0.4
145.06421	0.4
145.10051	0.2
146.07234	0.2
146.68405	0.1
147.04381	0.5
147.06491	0.5
147.07988	1.8
149.05960	0.1
153.01802	2.2
153.05402	0.3
157.06468	0.2
159.07976	0.2
161.05965	0.2
161.09602	7.2
163.06012	0.1
163.11137	0.3
165.01828	1.3
165.09096	6.2
166.09398	0.2
171.02832	0.1
171.04326	0.2
174.06682	0.2
175.03770	0.1
177.05415	0.2
179.10667	0.8
183.02893	0.7
183.04282	0.1
185.05954	0.3
189.09076	0.6
197.05946	0.1
197.11600	0.3
207.10149	5.0
213.05457	0.9
225.11203	2.9
231.06511	0.6
239.09167	0.4
241.05002	0.7
243.12199	0.1
258.05267	0.8
259.05927	0.3
263.05545	0.1
269.04178	0.1
275.11298	0.2
287.05466	100.0
288.05795	2.4
299.05496	1.1
303.04855	0.3
311.05347	0.2
317.06552	0.9
325.06815	0.2
329.06522	0.9
353.06482	0.3
364.42392	0.1
365.06445	0.2
369.15442	0.2
371.17017	0.4
379.08090	0.2
382.73038	0.1
383.07401	0.2
387.16422	2.0
395.07596	0.3
397.09143	0.5
413.08536	0.3
415.10333	0.3
431.09436	0.2
433.11261	0.8
449.10770	22.4
450.11334	0.5
533.22394	0.3
595.16345	0.3
673.21191	0.7
679.28033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
82.21191	0.2
89.02656	0.2
90.91689	0.2
123.52740	0.2
138.04694	0.2
200.23431	0.2
311.25970	0.3
322.56979	0.2
332.74896	0.2
381.12915	0.3
396.12158	0.6
397.12964	1.5
398.13989	0.3
399.14819	0.4
400.15100	0.3
409.13071	0.5
410.13608	1.8
411.14560	4.3
412.15292	2.9
413.16098	2.0
416.15701	0.2
422.13776	0.3
423.15161	1.4
424.11182	1.1
424.15390	1.8
425.16205	8.8
426.16928	6.3
426.22620	0.3
427.17932	1.4
428.18631	1.4
437.17035	1.1
438.13065	1.8
438.17337	1.1
439.13528	12.9
440.13568	0.7
440.19135	4.3
441.19302	31.2
442.19580	1.4
451.13477	0.5
451.18622	0.4
452.14200	2.9
453.15292	14.9
454.15906	3.6
455.16537	0.3
456.18277	0.3
457.15027	0.6
458.15814	0.2
459.20618	0.4
463.14209	0.7
465.15497	0.9
466.12088	0.4
466.16760	0.3
467.17123	25.6
468.17914	11.9
469.18854	10.4
470.19098	0.6
471.16537	1.1
472.17355	0.7
478.16095	0.5
479.17392	0.4
480.18011	1.1
481.14685	13.2
482.15359	2.8
483.16449	0.5
485.18301	1.5
486.18805	0.4
487.19724	0.3
494.17050	0.8
495.16113	6.2
496.17139	11.4
497.18057	2.6
498.19110	0.4
499.16412	1.3
500.20541	0.3
508.19583	0.7
509.18237	2.5
510.18292	0.5
512.20752	1.1
513.17505	0.6
514.22754	2.4
522.17847	0.9
523.19794	1.7
524.20355	0.5
525.17786	0.3
526.18109	0.4
527.23376	3.1
528.21106	0.2
528.22504	0.2
536.18909	0.4
537.19318	0.7
539.19336	0.6
540.20068	0.4
541.20361	0.4
542.21094	1.0
545.23846	0.7
551.19611	0.5
555.22388	27.2
556.22607	1.4
568.19470	0.6
569.19861	0.3
573.23047	0.4
582.20898	0.5
583.21875	83.4
584.22089	4.4
585.21881	0.3
586.20526	0.4
587.24756	1.2
600.21143	0.3
608.00970	0.2
611.21136	1.6
614.23584	0.9
615.24536	7.3
616.25305	0.4
642.23334	3.3
643.23938	100.0
644.24164	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	1120.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	7.3
81.03419	2.2
81.07050	24.0
82.07390	0.4
83.04974	19.8
83.08614	6.1
85.02898	82.6
86.03222	0.7
86.06058	0.4
87.04462	1.3
91.03949	6.1
91.05472	7.0
93.07036	17.5
95.00760	0.5
95.01322	6.5
95.04957	2.6
95.08599	45.4
96.08910	0.5
97.02882	12.9
97.06559	0.4
97.10160	4.5
98.09909	0.3
99.00799	0.7
99.04433	2.0
101.02379	0.5
101.05996	0.7
103.03951	2.6
103.05444	0.6
105.07023	13.0
107.08585	27.0
108.08866	0.6
109.02890	2.1
109.06505	1.1
109.10146	28.0
111.04436	17.8
111.08042	0.4
111.11701	1.5
112.04789	0.5
113.02338	1.4
115.03904	1.3
115.05417	0.5
117.05453	0.4
117.06966	1.8
119.08572	23.2
121.06547	0.3
121.10133	28.0
122.10472	0.4
123.00814	0.5
123.04424	0.4
123.11698	15.9
125.05991	0.6
126.05520	0.4
127.03909	10.2
129.05467	35.8
131.03383	0.5
131.08557	5.5
133.10121	19.4
134.10495	0.5
135.11681	20.5
136.12065	0.5
137.05933	0.9
137.13252	10.2
139.03917	0.9
139.07539	0.8
141.01817	28.4
143.08543	1.0
145.04953	11.2
145.05875	0.3
145.10109	8.8
146.08163	0.9
146.10776	0.4
147.06511	23.2
147.11679	13.8
147.12646	0.3
148.11992	0.4
149.05989	0.4
149.13249	24.2
150.13646	0.6
151.03897	0.8
151.07430	0.4
151.14799	1.0
153.09105	2.6
157.04955	0.4
157.10098	1.1
159.02893	9.6
159.11682	6.8
160.12566	0.4
161.09650	0.7
161.13235	9.9
163.06009	20.4
163.14809	8.9
163.16090	0.7
164.09184	1.1
165.01802	0.4
165.05550	0.3
165.07574	2.3
165.08978	0.6
165.24858	0.4
167.07021	0.4
167.10713	1.0
169.04904	0.6
171.06532	1.0
171.11650	1.1
173.04469	0.4
173.13243	5.7
174.06010	0.3
175.14807	8.6
177.03915	2.1
177.05391	0.5
177.09074	0.4
177.16356	6.2
179.10651	1.9
179.17938	1.8
181.05014	0.4
183.06558	0.5
185.13252	0.9
186.13930	0.3
187.14818	3.9
189.16377	29.5
190.16739	0.4
191.10634	0.7
191.17932	48.0
192.18318	1.3
193.12292	0.5
193.19547	0.4
199.14787	1.5
201.03769	0.3
201.16365	34.5
202.16750	1.1
203.17943	40.0
204.18288	1.0
205.19501	27.3
206.19835	0.6
207.13759	0.4
207.17438	1.5
213.07564	0.7
213.16386	3.5
215.17941	15.5
216.18269	0.4
217.16179	0.5
217.19479	8.9
219.17465	1.1
219.21004	0.7
221.15392	1.2
221.19031	0.9
225.07538	0.9
227.17899	1.1
229.15942	0.4
229.19460	2.1
231.08676	0.9
231.17424	0.6
231.20988	2.3
233.15353	0.5
235.16927	5.9
237.07440	1.6
241.19455	2.2
243.04964	0.5
243.21054	4.8
245.22627	3.3
247.16917	19.4
248.17383	0.5
249.18456	7.5
250.18694	0.4
255.08618	5.6
255.21169	2.8
257.22693	2.1
259.17062	0.7
261.18463	8.0
269.06549	2.3
269.22543	2.1
273.09686	6.9
273.18506	0.5
275.19983	0.9
283.24170	0.5
285.06030	0.9
287.07590	5.4
287.20209	1.6
289.21558	2.0
291.10727	1.2
297.25754	0.5
301.21658	1.3
303.07129	0.7
303.23276	0.5
305.08643	8.6
309.11771	10.2
315.23187	1.3
321.08105	4.4
323.09753	3.4
323.27432	0.4
325.11258	0.7
326.14417	0.5
339.09195	4.1
343.26309	0.8
351.30542	0.6
355.26270	0.6
369.27371	0.4
393.35132	15.9
394.35669	0.6
411.36151	1.9
413.10840	0.5
421.34451	1.3
431.11923	0.5
437.34067	0.7
438.34628	0.4
439.35681	100.0
440.36023	4.7
455.35147	0.6
518.84747	0.4
549.38959	0.8
567.40204	0.5
752.64520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01893	0.5
55.01866	0.7
55.05520	0.4
56.05032	0.6
56.96561	8.8
57.04567	0.6
58.52730	0.3
67.01868	0.4
67.02996	2.3
67.05509	0.5
68.01386	2.4
68.05026	0.4
69.03415	0.8
69.04177	0.5
69.04554	11.6
70.02951	13.1
70.06588	5.9
70.81091	0.5
70.81438	0.8
70.94277	0.4
71.02473	0.8
71.94102	3.8
71.95246	1.3
76.73655	0.3
81.03416	0.6
84.05625	0.4
84.08146	1.6
84.35022	0.4
94.04057	5.5
95.02451	39.3
95.06085	0.9
96.00856	7.1
96.02770	0.5
98.01246	0.3
98.96247	0.3
100.02496	0.8
100.81821	0.4
112.05087	100.0
112.07623	1.2
112.11250	0.8
113.02332	1.1
113.03483	13.8
113.05431	0.9
118.03374	0.4
127.76836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	0.7
54.03462	1.2
55.01855	0.8
55.05516	0.2
56.05027	1.1
56.96557	2.4
57.03431	0.4
60.95848	0.3
64.69614	0.2
65.03931	0.2
67.01846	0.7
67.02983	2.5
67.05497	0.9
68.01387	2.1
68.02632	0.3
68.05023	1.2
69.03423	5.2
69.04545	12.2
69.05346	0.4
69.07059	0.4
70.02577	0.3
70.02943	4.5
70.06584	20.9
70.94257	1.0
71.02465	0.6
71.04982	0.3
71.06920	0.4
71.56686	0.2
71.94093	1.7
77.43082	0.2
81.03416	1.0
81.04532	2.2
82.06606	0.2
83.05634	0.3
83.06093	0.3
84.04486	0.7
84.06446	0.4
84.08132	2.3
85.02895	0.4
85.07611	0.2
86.06028	0.2
88.95275	0.2
89.95090	0.3
94.04047	6.2
94.06573	0.6
95.01421	4.3
95.02441	38.1
95.04858	0.5
95.06071	1.5
96.00845	2.2
96.02772	0.4
96.04480	1.5
100.02494	0.6
105.25388	0.1
112.05077	100.0
112.07583	5.6
112.08694	1.1
113.00006	0.5
113.02357	4.6
113.03481	4.4
113.04699	0.2
113.05359	1.4
113.06084	0.3
113.07128	0.7
118.03526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03889	0.1
77.56229	0.1
78.04697	0.4
81.03407	0.4
83.04974	1.5
85.02893	8.8
87.04471	0.2
88.83113	0.1
89.03904	5.7
89.62617	0.1
89.71508	0.1
91.05470	0.5
92.02625	0.2
93.03395	0.4
93.07030	0.1
94.04179	0.1
95.04945	0.4
97.02882	0.4
99.04410	0.4
103.05482	0.2
107.91230	0.1
109.02863	0.5
111.04428	1.3
113.05985	0.1
115.05466	0.1
117.03363	10.8
117.05487	0.3
119.04928	0.4
121.02866	0.4
121.06464	0.2
123.04395	0.2
124.05196	0.2
126.03088	0.1
127.03884	0.6
129.05461	2.3
131.04884	0.2
134.03624	0.9
135.04405	1.1
137.02312	0.2
137.05956	0.4
139.03868	0.9
139.05490	0.1
145.02823	23.3
146.03139	0.3
147.04388	0.6
147.06503	0.6
149.05959	3.7
149.07120	0.2
151.03886	1.0
153.01808	3.9
153.05415	0.4
158.05992	0.2
161.05911	0.1
162.03035	0.2
163.03935	0.6
163.06078	0.2
165.01842	0.5
167.06995	0.3
173.05870	0.2
175.03874	0.3
177.05446	41.9
178.05792	0.5
179.07072	0.2
181.04959	0.2
183.02827	0.2
186.05478	0.8
189.05458	0.1
191.07040	0.4
195.06523	0.9
200.04579	0.1
201.05479	0.4
203.03432	0.2
203.06940	0.1
205.05019	0.1
207.06491	0.9
215.06979	0.2
217.04990	0.4
218.05707	0.2
219.03043	0.1
219.06522	0.2
228.04115	0.7
229.04918	1.8
231.02820	0.2
231.06540	0.3
233.04494	0.1
233.08081	0.2
239.09109	0.4
243.06549	0.1
245.04361	0.5
246.05214	1.0
256.03586	0.1
257.04419	2.0
258.05249	0.1
259.09702	0.2
260.03082	0.4
261.07559	1.0
267.02911	0.1
271.05927	0.3
273.03854	0.8
273.06827	0.1
274.04688	3.7
275.11371	0.1
284.03134	0.4
285.03909	3.6
286.04510	0.3
287.02164	0.2
287.05475	3.4
287.08768	0.2
288.06067	0.4
293.12454	0.2
301.03500	0.2
302.04172	12.4
303.04846	0.9
303.08704	0.3
305.10010	0.5
315.05069	0.2
316.05759	0.2
317.06512	100.0
318.06876	2.1
321.09564	1.6
323.11179	0.8
329.06479	0.5
339.10724	2.5
341.06769	0.1
355.07983	0.1
359.07593	1.0
383.07559	0.3
427.10220	0.5
445.11160	0.3
449.10602	0.7
463.12354	0.6
465.10303	0.2
479.11792	30.1
480.12125	1.1
572.39008	0.1
625.17346	0.4
655.16260	0.2
799.19434	0.2
861.27917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04686	0.3
81.03429	0.9
83.04974	1.8
85.02897	14.4
87.04428	0.3
89.03404	0.2
89.03905	3.4
91.05444	0.4
91.83865	0.1
92.02583	0.3
93.03377	0.4
95.04930	0.4
97.02873	1.8
99.04417	0.5
109.02857	1.1
111.00782	0.2
111.04429	1.3
113.05988	0.2
114.62977	0.1
117.03369	6.6
117.05453	0.3
119.04919	0.3
121.02884	0.7
123.04395	0.2
126.03122	0.3
127.03915	1.3
129.05466	2.9
131.79573	0.2
134.03615	0.5
135.04390	0.5
137.02295	0.3
137.05927	0.2
139.03903	0.7
145.02829	16.3
145.04897	1.0
146.03197	0.3
147.04417	0.3
147.06499	0.6
149.05966	2.1
151.03897	1.0
153.01808	3.6
153.05420	0.3
163.03897	0.3
163.05960	0.2
165.01825	0.5
168.53586	0.1
171.06506	0.2
175.03911	0.3
177.05452	38.1
178.05824	0.6
183.02905	0.2
186.05467	0.3
189.28183	0.2
195.06509	2.0
200.04562	0.2
201.05515	0.3
201.07475	0.1
204.66368	0.2
207.06516	0.5
217.04970	0.3
218.05792	0.2
228.04156	0.6
229.04924	1.8
231.06512	0.2
239.09070	0.5
243.06279	0.2
245.04466	0.4
246.05260	1.0
256.03729	0.2
257.04422	1.9
261.07565	0.4
271.06085	0.2
273.03955	1.0
274.04675	3.3
284.03036	0.3
285.03900	3.5
287.05472	2.5
288.06082	0.3
302.04178	10.9
303.04727	0.4
305.10226	0.4
317.06519	100.0
318.06885	3.3
321.09726	0.3
323.11115	0.8
329.06631	0.8
339.10690	3.5
359.07544	1.2
383.07629	0.3
427.10049	0.7
445.11249	0.3
449.10629	0.5
463.12241	0.9
479.11804	27.7
480.12216	1.1
485.16406	0.6
542.28296	0.1
625.17316	0.4
631.22205	0.4
655.16815	0.7
829.06482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0716
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
51.41131	0.6
53.03934	1.6
53.75880	0.6
54.03458	1.5
54.04295	0.7
55.01862	1.4
55.05499	2.4
56.05035	29.5
56.96564	60.5
57.03431	2.6
61.02913	2.3
65.03924	1.8
66.03470	1.3
67.04241	2.5
67.05515	0.8
68.05021	5.2
68.95282	1.6
69.03444	1.6
69.04543	2.1
70.06586	1.8
71.01324	0.8
71.04996	0.7
71.56573	0.8
71.95251	4.6
73.02908	0.8
74.97615	0.7
75.01028	1.1
77.00775	3.8
79.05504	0.7
81.03422	1.9
81.04541	9.7
82.02907	0.8
82.03737	1.3
82.05325	9.0
82.06590	3.1
83.00786	2.1
83.05020	2.5
83.06102	100.0
84.01541	1.5
84.95997	1.7
85.02898	0.8
86.01299	1.6
89.00753	0.8
91.05502	0.8
92.01312	1.8
93.02100	0.9
93.04528	61.0
94.04865	1.6
97.02905	0.8
98.01289	1.9
98.97583	6.5
100.02458	0.9
105.00374	0.8
110.02402	1.6
110.06043	18.1
110.07169	62.5
110.97597	2.1
111.04446	2.6
111.05580	3.7
111.09202	4.9
112.03986	0.7
112.46582	0.8
116.98626	6.0
118.03551	1.6
119.01862	0.7
124.06940	0.6
128.98592	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	1109.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04673	0.3
81.03402	0.5
83.04968	1.5
85.02894	11.6
86.03212	0.2
87.04424	0.2
89.03903	4.4
91.05480	0.2
92.02605	0.2
93.03394	0.4
95.04975	0.3
97.02880	1.0
97.11983	0.1
99.04433	0.3
103.05466	0.3
106.04166	0.3
109.02879	0.6
111.00785	0.2
111.04433	1.1
113.05969	0.2
117.03363	7.5
117.05461	0.2
119.04928	0.3
121.02838	0.4
121.06476	0.1
124.05199	0.2
126.03105	0.2
127.03882	0.7
129.05466	3.0
134.03621	0.7
135.04401	1.0
137.02315	0.1
137.05963	0.3
139.03865	0.6
145.02824	21.2
146.03180	0.2
147.04352	0.2
147.06448	0.6
149.05956	2.9
151.03885	0.9
151.07419	0.1
153.00545	0.2
153.01801	3.8
153.05434	0.3
158.06000	0.1
161.05963	0.1
162.03099	0.2
163.03883	0.6
163.06015	0.2
165.01834	0.5
171.06525	0.2
173.05931	0.1
175.03957	0.2
177.05443	43.3
178.05824	0.7
179.06992	0.2
183.02965	0.2
186.05478	0.6
189.05492	0.2
195.06503	2.2
200.04683	0.2
201.05486	0.2
203.03299	0.2
207.06488	0.6
215.06981	0.2
217.04947	0.2
218.05765	0.4
228.04135	0.7
229.04939	2.0
231.02756	0.2
231.06483	0.2
239.09171	0.4
243.06499	0.3
245.04391	0.4
246.05238	1.1
257.04453	2.2
260.03171	0.1
261.07581	0.9
271.06058	0.2
273.03946	1.0
274.04684	3.4
275.11276	0.2
284.03293	0.4
285.03903	4.0
286.04480	0.2
287.05478	2.1
287.08661	0.2
288.06122	0.2
299.05347	0.2
302.04175	12.1
303.04718	0.5
303.08417	0.2
305.10092	0.6
314.04230	0.1
316.05792	0.2
317.06509	100.0
318.06866	2.8
321.09686	1.0
323.11145	1.0
329.06467	0.6
339.10706	3.8
340.11237	0.1
341.06461	0.2
359.07626	1.3
383.07510	0.3
409.09100	0.3
427.10126	0.6
443.09485	0.2
445.11298	0.6
449.10660	0.4
463.12549	0.7
479.11789	30.2
480.12088	1.3
485.16406	0.3
625.17273	0.4
655.16541	0.4
799.20636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04700	0.2
81.03395	0.4
82.97656	0.1
83.04969	1.2
85.02899	9.7
87.00014	0.1
87.04440	0.2
89.03909	4.8
91.05476	0.4
93.03400	0.2
95.04973	0.5
97.02859	0.4
98.20713	0.3
99.04439	0.3
103.05460	0.1
107.04929	0.1
109.02847	0.4
111.00784	0.6
111.04442	1.1
113.06001	0.2
117.03372	9.5
119.04922	0.2
121.02869	0.6
121.06526	0.1
123.04399	0.2
124.05173	0.2
127.03905	0.6
129.04509	0.2
129.05472	2.7
134.03638	0.8
135.04420	1.2
137.02327	2.5
137.05962	0.3
145.02837	22.8
146.03183	0.2
146.61870	0.1
147.04425	0.5
147.06499	0.6
149.02341	0.3
149.05977	3.0
153.01825	2.3
153.05450	0.3
155.04932	0.1
159.04422	0.1
161.05974	0.3
162.03159	0.1
163.03908	1.0
163.06065	0.2
165.01810	1.7
166.02576	0.3
172.05257	0.1
173.06018	0.3
177.05458	44.6
178.05780	0.4
181.33145	0.1
183.02913	0.6
183.04301	0.1
186.05449	0.6
187.03908	0.2
189.05473	0.1
191.03427	0.1
195.02881	0.2
195.06499	2.0
201.05438	1.1
203.07039	0.2
205.04948	0.4
207.02908	0.1
207.06563	0.1
213.05489	0.2
215.07037	0.1
219.02844	0.1
219.06577	0.2
228.04062	0.1
229.04944	3.3
229.32939	0.2
231.06487	0.2
233.08116	0.2
239.03532	0.1
239.09158	0.4
247.06064	0.7
257.04434	2.5
257.10303	0.1
261.04138	0.1
261.07547	0.4
274.04681	0.5
275.05438	0.2
275.11298	0.2
285.03961	1.3
287.05502	0.8
287.08743	0.2
288.05951	0.1
302.04221	0.4
303.04968	100.0
304.05267	1.5
305.10162	0.6
315.04843	0.5
317.06525	0.9
321.09680	1.2
323.11276	1.3
327.05038	0.3
333.06067	0.2
339.10730	3.6
345.06055	1.4
369.06085	0.3
411.07318	0.1
411.14194	0.1
413.08704	0.6
431.09610	0.4
449.10837	1.0
465.10266	26.5
466.10593	0.4
469.17368	0.1
479.11697	0.4
485.17340	0.2
611.15558	0.5
626.56976	0.1
641.14813	0.2
697.20483	0.1
785.18768	0.2
931.23804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02367	0.4
51.98129	0.4
53.00299	0.6
53.03703	0.8
53.03944	9.9
54.04279	0.4
55.01871	0.9
55.05507	10.5
56.05848	0.5
58.65269	0.4
65.03935	6.1
66.77860	0.4
67.05500	100.0
68.05034	1.2
68.05817	2.3
69.04551	0.8
69.07060	6.6
69.34570	0.9
69.34981	3.4
79.05486	12.4
79.19269	0.4
80.06269	1.6
81.03413	14.0
81.07050	31.3
82.06589	1.3
82.07397	0.9
83.06138	0.5
91.05488	1.6
94.04173	0.7
94.07819	1.6
95.04942	0.4
105.07020	0.5
107.08592	2.7
109.02883	4.0
109.06505	2.1
109.07632	1.9
109.10149	28.5
110.06028	4.2
110.07156	3.1
110.10473	0.9
126.87071	0.4
127.32350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	6.6
81.03402	1.6
81.07050	22.8
83.04978	14.1
83.08620	5.4
85.02898	55.0
87.04477	1.0
91.05467	6.9
93.07034	17.6
95.01285	3.8
95.04955	1.9
95.08597	45.4
97.02883	18.5
97.10157	4.4
98.02544	0.6
98.21613	1.0
99.04431	2.1
103.03941	2.0
105.07021	11.5
107.08585	26.8
109.02885	1.8
109.10148	25.4
111.04430	14.6
111.08100	0.7
111.11726	1.3
113.02363	1.9
113.06042	0.8
114.98332	0.6
115.03931	12.3
117.07037	1.2
119.08570	22.0
121.10130	27.3
122.00546	0.6
123.11693	15.7
127.03903	2.3
128.63797	0.7
129.05476	20.3
129.06911	0.9
131.08537	6.0
133.04971	4.0
133.10120	17.5
135.11684	20.9
137.05998	1.0
137.13240	8.5
139.03889	2.6
141.01817	15.7
143.08563	0.8
145.04958	2.8
145.10104	8.8
147.06512	12.8
147.11674	14.3
149.13257	22.3
151.03833	1.3
151.07526	1.0
151.14879	0.7
153.05449	1.1
153.09074	2.0
154.85568	0.7
157.04948	0.9
157.10072	1.4
159.02907	4.7
159.11668	6.0
161.13251	9.9
163.06021	1.6
163.14774	7.4
164.09225	2.4
165.07617	1.4
169.04910	1.4
171.06488	1.9
171.11661	1.0
173.13269	6.1
175.14821	9.4
177.16353	6.5
179.10715	1.4
179.17986	1.9
187.05879	0.7
187.14815	5.0
189.16359	27.8
191.17929	47.5
193.19458	0.7
199.14771	1.0
201.16371	34.4
202.16606	0.7
203.17938	38.5
205.19501	28.8
206.19835	1.0
207.17369	1.4
213.16344	2.4
215.17937	14.8
217.07079	3.8
217.19466	8.8
219.05008	1.8
221.15405	1.6
225.07549	6.5
227.17961	1.2
229.19536	1.9
231.08617	1.4
231.17355	0.8
231.21017	3.4
233.15431	0.9
235.16901	5.6
241.19453	3.1
243.08620	6.0
243.21049	4.2
245.22659	3.3
247.16922	22.0
249.18546	6.8
255.05069	1.2
255.08682	0.7
255.21078	2.4
257.22598	2.2
259.08078	0.8
259.16898	0.9
261.09644	2.4
261.18466	7.2
269.06616	1.1
269.22650	1.4
273.06033	2.4
273.09842	0.7
275.20175	0.9
279.10693	11.8
283.24246	1.5
287.07709	2.3
287.20047	1.4
289.21362	3.4
291.07001	1.7
301.21628	1.8
305.08743	4.0
309.08209	2.3
309.11609	1.3
315.23096	1.4
323.09659	1.9
339.09149	0.9
343.26505	0.8
355.26337	1.4
393.35202	15.0
394.35638	0.9
401.10645	1.1
411.36179	2.3
421.34555	0.8
439.35681	100.0
440.36377	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01601	0.5
51.02385	0.8
53.03943	15.2
53.54565	0.3
54.04288	0.6
55.01870	8.8
55.05505	5.5
57.28495	0.3
60.12735	0.3
65.03934	7.8
66.04722	1.8
67.04244	0.9
67.05499	43.7
67.93573	0.3
68.05030	2.5
68.05799	0.5
68.95287	0.3
69.04559	1.0
69.07056	2.8
69.36914	0.6
69.37320	2.3
79.05486	57.8
80.05025	0.4
80.05836	0.9
80.06283	0.5
81.03412	15.5
81.07047	50.2
81.26942	0.3
82.03765	0.4
82.06572	2.1
82.07385	0.8
83.06116	0.4
87.00487	0.3
91.05473	17.7
91.61893	0.3
92.05006	0.5
92.05797	0.4
94.04176	5.6
94.07806	0.8
95.04430	0.4
95.04960	3.1
105.04507	0.5
106.71069	0.3
107.04957	2.0
107.08590	1.3
109.02856	3.0
109.06507	100.0
109.07688	3.5
109.10146	13.9
110.06036	5.9
110.07095	4.1
110.10493	0.5
111.04428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	0.5
81.03419	0.3
83.04980	3.2
85.02902	14.6
87.04470	0.4
91.03950	0.6
91.05517	0.1
92.02624	0.4
93.03407	0.3
95.04956	0.3
95.61926	0.1
97.02894	0.8
97.06495	0.2
99.04437	0.7
109.02866	0.5
109.06515	0.1
111.00768	0.2
111.04441	2.6
112.32805	0.1
113.06001	0.3
114.22042	0.1
117.05497	0.4
118.69788	0.1
121.02863	0.5
123.04430	0.2
125.05997	0.2
127.03922	0.9
129.05475	4.4
135.04323	0.1
137.02367	0.2
137.05980	0.2
139.03882	0.6
141.05486	0.1
145.04985	0.3
147.04428	0.2
147.06522	1.6
149.06000	0.1
151.03902	1.2
153.01819	3.3
153.05411	0.9
154.81187	0.1
157.04974	0.2
159.06630	0.1
163.03946	0.3
163.06015	0.6
165.01857	0.5
171.06474	0.5
177.05479	0.6
179.06953	0.1
183.02945	0.2
183.06538	0.2
200.04659	0.1
201.05495	0.4
201.07446	0.2
203.03336	0.1
213.07574	0.2
217.05060	0.3
218.05757	0.3
228.04146	0.6
229.04962	1.9
233.41197	0.1
239.09119	1.1
245.04523	0.5
246.05241	0.9
247.02275	0.1
248.35568	0.1
255.08636	0.2
256.03812	0.1
257.04416	1.9
257.10181	0.6
260.03152	0.2
261.07605	0.3
271.06189	0.2
273.03986	0.9
273.09195	0.1
274.04715	3.3
275.11221	0.7
284.03189	0.3
285.03958	3.7
286.04489	0.3
287.02582	0.1
287.05582	0.7
288.06250	0.2
293.12231	0.3
302.04205	12.6
303.04639	0.6
314.04160	0.2
315.05087	0.3
316.05844	0.2
317.06543	100.0
318.06879	3.0
318.10483	0.2
329.06525	1.2
340.05527	0.1
341.06705	0.4
355.08069	0.2
359.07596	2.6
372.24585	0.1
383.07471	0.8
395.07312	0.1
409.09381	0.5
427.10251	1.3
445.11307	1.0
461.10519	0.2
463.06158	0.1
463.12405	1.9
464.12201	0.1
479.11841	35.8
480.12152	1.5
521.13165	0.1
580.36548	0.1
607.16095	0.2
609.18530	0.2
610.96686	0.1
625.17725	2.1
641.16479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04465	0.3
79.05476	0.1
79.05919	0.1
81.03401	0.3
83.04978	1.8
85.02898	9.7
86.47202	0.1
87.04447	0.3
89.03922	0.6
91.05473	7.2
92.02602	0.4
92.05787	0.1
93.03385	0.5
95.04942	0.4
97.02877	0.4
99.04449	0.3
103.46673	0.1
107.04919	0.3
109.02866	0.3
111.00749	0.3
111.04436	1.7
113.05996	0.2
117.03374	1.2
117.05507	0.3
119.04931	13.2
121.02846	0.9
123.04450	0.2
126.03100	0.2
127.03900	0.6
129.05469	3.1
131.04855	0.1
134.03542	0.1
135.04362	0.2
137.02330	0.3
137.05962	0.1
139.03893	0.8
141.07010	0.1
145.02831	2.7
147.04398	46.7
148.04773	0.5
149.05984	0.6
151.03908	0.8
153.01816	4.3
153.05348	0.3
155.04951	0.1
157.05013	0.1
157.06416	0.2
163.03900	0.2
163.06081	0.2
165.01794	0.7
165.05484	1.0
171.06496	0.2
173.06015	0.2
177.05453	5.0
183.02893	0.3
185.05997	0.1
189.05499	0.2
195.06496	0.1
201.05576	0.6
201.07222	0.1
203.03397	0.3
213.05502	0.2
213.07483	0.1
217.04944	0.3
218.05768	0.2
228.04216	0.7
229.04970	1.9
229.08591	0.2
230.05492	0.1
231.02843	0.2
231.06445	0.6
239.09082	0.5
243.06512	0.3
245.04501	0.5
246.05196	1.2
257.04410	2.2
260.03265	0.3
261.07568	0.4
271.06021	0.2
273.03915	1.4
273.07251	0.2
274.01691	0.2
274.04715	3.4
275.09073	0.5
275.11676	0.2
284.03226	0.3
285.03925	3.9
286.04684	0.1
287.05478	13.7
288.05933	0.3
291.08603	1.2
293.09750	0.7
302.04190	12.5
303.04681	0.2
309.09683	1.7
317.06525	100.0
318.06897	2.1
321.09637	0.1
329.06613	0.5
339.10654	0.4
341.06830	0.1
359.07596	1.2
367.80481	0.1
383.07635	0.3
409.09079	0.2
427.10281	0.5
445.11295	0.3
449.04495	0.2
449.10733	3.1
463.12335	0.7
479.11813	32.6
480.12131	0.9
625.16785	0.6
769.19177	0.3
884.57513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04465	0.5
81.03409	1.0
83.04977	3.6
85.02898	25.4
86.03207	0.2
87.04454	0.6
89.03450	0.3
89.03911	2.0
91.05474	5.0
93.03412	0.3
95.04957	0.9
97.02885	3.4
97.90984	0.2
99.04449	0.8
107.04967	0.4
109.02890	1.7
111.00773	0.3
111.04435	2.7
117.03366	4.6
117.05498	0.5
119.04936	9.3
121.02854	1.6
123.04430	0.4
126.80459	0.2
127.03907	2.4
129.05473	4.8
133.02843	0.4
134.03621	0.4
135.04388	0.8
137.02296	0.3
139.03874	0.9
145.02837	11.7
145.04935	1.5
145.06480	0.2
146.03185	0.3
147.04401	44.6
147.06444	1.9
148.04741	0.5
148.88983	0.2
149.06001	1.3
151.03847	0.6
153.01814	5.3
153.05475	0.7
157.04945	0.3
161.05995	0.3
163.03949	0.4
163.06010	0.5
165.01805	1.2
165.05482	1.7
171.06523	0.7
177.05460	26.5
178.05850	0.6
182.32870	0.2
183.02890	0.4
185.06012	0.2
195.06468	1.5
197.05890	0.2
201.05428	0.4
203.03612	0.2
213.05450	0.6
217.04742	0.3
228.04222	0.6
229.04921	1.8
231.06456	0.4
239.09047	0.9
241.04926	0.6
243.06512	0.3
245.04385	0.6
246.05270	1.0
249.07527	0.2
255.08687	0.2
257.04373	1.7
258.05273	0.7
269.04401	0.3
273.03906	0.9
274.04733	2.7
285.03891	3.4
287.05481	78.6
288.05859	2.3
291.08673	0.3
293.10107	0.7
299.05359	0.7
302.04175	11.2
303.04572	0.4
309.09659	3.2
317.06537	100.0
318.06882	3.4
321.09821	0.3
323.11243	0.3
329.06583	1.4
339.10712	2.4
353.06393	0.5
355.08200	0.3
359.07657	1.6
383.07523	0.6
395.07520	0.3
397.09143	0.8
415.10150	0.4
425.08719	0.2
427.10156	0.7
433.11264	0.9
445.11444	0.2
449.10767	17.0
450.11044	0.7
455.15390	0.7
463.12289	1.0
479.11829	27.1
480.12051	1.5
485.16629	0.2
595.16498	0.3
621.25140	0.2
625.15649	1.4
786.21185	0.2
796.96088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04472	0.5
81.03400	0.4
83.04967	2.1
85.02895	13.4
89.03909	3.0
91.05470	7.7
92.02606	0.4
93.03413	0.4
95.04965	0.6
97.02893	0.5
99.04404	0.4
103.05484	0.2
107.04902	0.3
109.02849	0.5
111.00725	0.3
111.04422	2.0
117.03367	6.1
117.05465	0.4
117.23016	0.2
119.04927	12.5
120.02097	0.2
120.05247	0.2
121.02856	1.6
127.03867	0.7
129.05457	3.4
133.02866	0.3
134.03557	0.4
135.04399	0.8
137.02338	0.3
137.05977	0.3
137.60374	0.2
139.03859	0.8
145.02834	12.5
147.04391	47.5
148.04723	0.7
149.05978	1.7
151.03888	0.8
153.01802	4.9
153.05457	0.4
157.90649	0.2
163.03839	0.5
163.05984	0.4
165.01807	1.2
165.05469	0.8
171.06586	0.3
177.05449	18.8
178.05742	0.4
183.02875	0.6
183.04353	0.2
185.05930	0.4
195.06508	0.4
201.05444	0.7
203.03461	0.3
213.05411	0.7
217.04982	0.3
218.05853	0.4
228.04202	0.7
229.04892	1.9
231.06541	0.7
239.09172	0.7
241.05112	0.4
245.04462	0.6
246.05153	1.0
257.04489	1.9
257.10291	0.2
258.05206	0.5
260.02942	0.3
261.07587	0.7
273.03839	1.1
273.07281	0.2
274.04700	3.3
275.08887	0.2
284.03009	0.4
285.03900	4.1
287.05463	59.0
288.05930	1.8
291.08600	1.0
293.10153	0.5
299.05463	0.3
301.03491	0.3
302.04193	12.4
303.04651	0.3
309.09647	1.5
317.06516	100.0
318.06888	3.0
321.09644	0.7
323.11203	0.4
329.06610	1.1
339.10791	1.5
359.07559	1.3
397.09131	0.2
399.73712	0.2
427.10327	0.6
433.10809	0.3
445.11060	0.4
449.10751	12.2
450.11084	0.7
463.12106	0.8
479.11795	26.8
480.11960	1.2
625.16650	0.3
769.19574	0.3
933.50739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04469	0.2
78.04715	0.3
81.00493	0.1
81.03402	0.3
83.04976	1.1
85.02899	8.9
87.04454	0.2
88.47498	0.1
89.03909	3.9
91.05474	0.5
95.04945	0.3
95.94682	0.1
97.02906	0.5
99.04437	0.3
103.05457	0.2
105.03403	0.2
106.04187	0.1
107.04948	0.2
109.02845	0.4
111.00793	0.4
111.04439	1.0
117.03371	7.4
118.03732	0.1
119.04915	0.8
121.02856	1.7
121.06535	0.1
123.04392	0.1
124.05252	0.1
127.03896	0.6
129.04523	0.2
129.05470	2.5
129.06946	0.1
131.05011	0.1
133.02847	0.4
134.03629	0.5
135.04424	0.6
137.02344	0.5
137.05966	0.2
137.06967	0.1
145.02835	19.8
146.03122	0.2
147.04407	3.5
147.06421	0.6
149.05972	2.8
151.03883	0.2
153.01811	1.9
153.05435	0.2
157.06444	0.2
163.03880	0.4
165.01846	1.0
165.05481	0.2
171.04399	0.1
171.06520	0.1
175.07462	0.1
177.05457	39.7
178.05800	0.8
179.07126	0.1
183.02841	0.3
185.05934	0.2
186.05460	0.5
189.05412	0.2
195.06535	1.5
203.07042	0.2
205.05011	0.2
205.07086	0.1
213.05418	0.8
215.07141	0.2
217.08672	0.1
219.06540	0.1
229.05066	0.2
231.06458	0.7
233.08186	0.2
239.09225	0.3
241.04904	0.5
243.06487	0.1
257.04462	0.1
257.10159	0.1
258.05219	0.6
259.06058	0.3
259.09552	0.2
261.07532	0.6
269.04514	0.2
273.07434	0.1
274.04712	0.2
285.03937	0.2
286.04630	0.2
287.05478	100.0
288.05829	2.6
288.08591	0.1
291.08481	0.2
299.05573	0.4
302.04245	0.8
303.05057	0.2
303.08621	0.3
305.10153	0.5
309.09631	0.1
311.05597	0.1
313.07050	0.1
317.06546	6.8
318.06784	0.2
321.09607	1.3
323.11325	0.9
329.06436	1.2
339.10745	3.0
353.06580	0.3
363.37018	0.1
379.08136	0.3
397.09088	0.8
413.08661	0.2
415.10248	0.4
433.11365	0.7
449.10773	22.5
450.11020	1.0
479.11746	1.6
485.16611	0.1
547.75421	0.1
595.16632	0.3
625.15247	0.1
754.90479	0.1
769.19293	0.3
915.25739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02381	0.8
53.03946	5.2
53.71950	0.5
54.03450	0.5
55.01854	1.1
65.03939	16.9
67.04241	3.4
67.05503	3.8
71.01640	1.2
77.03912	0.6
79.05492	27.9
80.05013	7.1
80.05784	0.6
81.04522	0.6
91.05479	100.0
92.05785	1.4
92.06270	3.8
93.05789	0.7
95.04971	9.0
103.05452	0.8
105.04505	1.8
105.07030	26.0
106.06548	2.4
106.07307	0.6
107.04954	11.4
107.06079	4.2
107.08588	22.2
108.04470	1.5
108.05609	1.4
108.08119	1.1
109.06508	13.8
119.06085	4.4
124.05176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04479	3.3
79.05484	2.8
81.03409	0.6
81.07046	13.3
83.04975	7.9
83.08616	3.6
84.08124	0.8
85.02895	50.9
86.09689	0.6
87.04466	1.3
91.03954	3.9
91.05469	3.7
93.07037	8.0
95.01317	3.8
95.04939	0.9
95.08596	26.4
97.02882	5.6
97.10152	2.7
99.04444	1.4
101.02368	11.7
101.03032	0.7
103.03926	1.3
105.07018	10.2
107.08581	15.6
109.02879	1.3
109.06517	0.5
109.10141	17.7
111.04430	7.6
111.11722	1.5
113.02347	0.6
115.03909	0.5
117.07024	0.7
119.08566	12.9
120.08073	0.6
121.10132	14.6
123.11691	9.7
127.03902	30.9
129.04485	0.8
129.05463	16.6
131.03314	0.5
131.08543	2.9
133.10114	10.6
135.11681	10.5
136.07559	0.9
137.13251	6.2
141.01810	13.6
143.08556	1.4
145.04939	29.4
145.10094	5.0
146.05260	0.6
146.08128	0.4
147.06499	10.7
147.11670	9.7
149.13232	7.2
149.14357	0.5
151.14760	0.8
157.10103	1.5
159.02867	4.0
159.11671	6.9
160.12306	0.4
161.13234	7.4
163.06006	9.9
163.14795	5.0
164.09201	0.9
165.07588	0.9
171.11693	1.3
173.13240	4.8
175.14818	5.6
177.03874	0.8
177.16367	9.6
179.17960	1.5
185.13290	1.3
186.42116	0.4
187.14799	4.1
189.16364	10.2
191.17929	10.3
199.14798	1.4
201.16348	8.5
203.17934	12.7
205.19472	3.6
205.21175	0.4
207.17419	1.0
213.07520	0.6
213.16283	2.0
215.17924	6.4
217.19485	12.1
218.19691	0.5
219.21086	1.7
227.17928	2.7
229.19476	7.2
231.08739	0.5
231.21063	2.9
241.19402	1.7
243.21040	2.8
245.22690	1.8
255.08601	2.9
255.21028	4.6
257.22662	5.3
269.06534	1.4
269.22595	6.6
271.24182	1.5
273.09814	1.6
283.24124	2.2
285.25714	0.6
287.07602	2.1
287.10254	0.4
291.10742	0.5
295.24075	0.4
297.25784	2.2
305.08618	3.8
309.11804	2.6
309.25793	0.5
310.26474	0.3
311.27414	0.8
321.08200	0.7
323.09723	1.0
323.27612	0.5
337.28940	0.6
339.09180	1.1
351.30624	0.5
355.92072	0.4
365.32126	0.5
383.20538	0.4
407.36670	100.0
408.36923	3.4
423.36148	0.4
425.37683	6.0
551.40607	0.5
601.40833	0.9
1070.60193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09671	0.2
75.04474	5.4
77.03918	0.5
79.05485	6.1
81.03409	1.1
81.07047	19.8
83.04971	7.1
83.08607	3.7
84.04475	0.3
84.08138	0.6
85.02896	51.7
85.10161	0.2
86.03212	0.5
86.09698	0.4
87.04446	1.1
91.03947	3.3
91.05469	7.5
93.07034	15.1
95.01321	10.0
95.04962	1.8
95.08597	40.8
96.08945	0.3
97.02886	5.3
97.06520	0.8
97.10155	2.8
99.00816	0.8
99.04448	1.5
99.08054	0.4
101.02368	21.0
101.05988	0.4
103.03952	1.8
103.05442	0.8
105.07017	16.6
107.04938	0.3
107.08584	25.3
108.08860	0.3
109.02878	1.6
109.06493	0.8
109.10144	26.6
111.04429	6.1
111.08066	5.2
111.11717	2.0
113.02334	1.3
115.03904	0.3
115.05470	0.4
117.06987	2.2
119.08566	22.9
120.08110	0.3
121.06513	0.3
121.10131	20.7
122.10449	0.3
123.00767	0.4
123.04461	0.3
123.08058	0.6
123.11693	11.1
125.02298	0.3
125.09616	0.3
125.13203	0.3
127.03904	44.8
128.04277	0.5
128.06172	0.2
128.86275	0.2
129.05470	11.0
129.06992	0.8
130.07774	0.3
131.03401	1.0
131.08562	5.8
133.10117	20.4
134.10428	0.4
135.11679	15.5
136.07602	0.8
136.12079	0.3
137.09558	0.5
137.13246	3.6
139.11206	1.5
141.01813	23.6
141.06963	0.4
142.07762	0.4
143.08566	2.9
144.09329	0.5
145.04945	47.8
145.10106	12.3
145.11272	0.5
147.06509	5.1
147.11670	17.5
148.12033	0.4
149.05896	0.3
149.13242	13.3
150.13608	0.3
151.03885	0.2
151.11142	1.0
151.14810	0.9
153.12660	0.4
155.08517	0.4
156.09314	0.4
157.10127	3.7
158.10944	0.6
159.02859	3.9
159.11671	14.3
160.12048	0.5
161.13234	16.7
163.05995	4.8
163.07339	0.3
163.11163	0.8
163.14793	9.2
165.07582	0.5
165.12756	1.0
165.16391	0.5
167.14264	0.5
169.10098	0.8
170.10818	0.4
171.06590	0.3
171.11682	4.1
172.12390	0.6
173.13248	10.2
174.13916	0.4
175.14812	12.3
177.03896	0.8
177.05350	0.5
177.12790	0.6
177.16371	13.8
179.14305	0.4
179.17912	1.9
183.11682	0.9
184.12282	0.3
185.13249	3.5
186.13988	0.4
187.14807	9.0
188.15295	0.3
189.16356	13.1
190.16809	0.3
191.14296	1.0
191.17920	6.1
191.62840	0.2
193.15862	1.5
195.17455	0.4
197.13173	1.2
199.14807	3.9
200.15456	0.4
201.16359	18.9
202.16711	0.4
203.17931	16.6
204.18231	0.3
205.15868	5.9
205.19485	4.7
207.17441	3.0
211.14786	0.8
212.15715	0.2
213.07579	0.3
213.16324	4.2
214.16922	0.3
215.17937	8.2
217.16129	2.9
217.19490	16.2
218.19751	0.2
219.17451	3.1
219.20868	1.3
220.17421	0.3
221.19026	0.3
223.16972	0.6
225.16275	1.1
227.17932	5.6
228.18463	0.4
229.19484	8.4
230.20042	0.3
231.17421	1.7
231.21001	2.8
233.19016	1.4
235.20598	0.7
237.07629	0.4
239.17969	1.0
241.19473	3.1
243.21054	4.0
245.18996	2.5
245.22621	0.9
247.20525	0.6
253.19449	1.2
255.08577	1.3
255.21080	4.9
257.18900	0.4
257.22638	4.6
259.20502	0.8
259.24289	0.4
261.22089	0.9
267.11002	0.3
267.21042	1.8
269.06570	0.6
269.22614	5.2
271.20905	0.4
271.24185	1.8
273.09708	0.6
273.22183	0.4
281.22623	1.4
283.24149	2.2
285.22031	0.6
285.25757	0.7
287.07645	1.4
287.23798	0.3
291.10736	0.3
295.24213	1.9
297.25720	2.5
305.08603	2.3
309.11771	0.9
309.25742	0.9
311.27228	1.4
313.25250	1.1
321.08215	0.5
321.25775	0.5
323.09787	0.5
323.27362	0.5
327.26724	0.4
329.28235	0.3
335.27066	0.4
337.28879	0.3
338.86200	0.3
349.28897	0.3
353.28320	0.4
363.30438	0.5
365.19647	0.4
365.31998	7.7
366.32312	0.3
377.31989	0.4
393.35266	1.4
395.36566	0.5
403.33609	0.3
405.35132	25.7
406.35397	1.0
407.36789	0.4
423.36163	100.0
424.36478	4.5
441.37177	4.0
451.35330	0.4
537.39307	0.3
543.36127	0.3
549.39478	1.5
567.40417	3.2
581.38342	9.2
582.39148	0.3
599.39294	6.8
639.72552	0.3
725.42426	0.5
914.52295	0.3
947.01007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04482	0.6
79.05455	0.1
81.03414	0.5
83.04482	0.2
83.04976	3.2
85.02901	14.7
86.03234	0.2
87.04442	0.4
91.03957	0.4
91.05466	0.3
93.03407	0.2
95.04960	0.7
97.02879	0.8
97.06525	0.1
99.04427	0.5
109.02891	0.5
111.00794	0.5
111.04436	2.7
113.05991	0.2
117.05478	0.5
119.04946	0.4
121.02863	0.8
121.06551	0.1
123.04451	0.2
127.03909	1.0
129.05476	4.7
135.04445	0.2
137.02336	2.5
137.03320	0.1
137.05949	0.2
139.03868	0.2
145.04930	0.4
147.04405	1.5
147.06502	1.5
149.02306	0.4
151.07579	0.1
153.01822	2.2
153.05428	0.8
157.04909	0.2
159.06525	0.1
161.05904	0.2
163.03902	0.4
163.06013	0.6
165.01816	1.6
165.05518	0.2
166.02556	0.1
169.04907	0.1
171.06483	0.3
173.05981	0.2
179.03287	0.1
179.06982	0.1
183.02934	0.7
183.04358	0.2
183.06467	0.1
187.03882	0.2
188.38573	0.1
191.03333	0.1
193.08728	0.1
195.02971	0.2
201.05475	0.9
201.07442	0.3
205.04855	0.1
211.03975	0.2
213.05554	0.2
213.07558	0.1
215.03395	0.2
219.03120	0.1
219.06573	0.2
221.08179	0.1
228.04184	0.2
229.04951	2.9
239.09120	0.9
247.06058	0.6
255.08696	0.2
257.04449	2.3
257.10287	0.4
258.05237	0.1
274.04788	0.6
275.05441	0.2
275.11227	0.5
285.03967	1.0
286.04529	0.1
287.05487	6.2
288.05817	0.2
293.12366	0.3
302.04309	0.1
303.04971	100.0
304.01837	0.2
304.05307	2.9
304.08685	0.2
315.04996	1.3
316.05768	0.2
327.04785	0.5
329.06488	0.2
341.06546	0.4
345.06021	3.0
369.05960	0.9
395.07645	0.5
411.06906	0.2
413.08627	1.2
429.08035	0.1
431.09717	0.8
447.09189	0.2
449.10764	4.6
450.11230	0.2
461.68433	0.1
465.10269	29.2
466.10324	0.9
491.11533	0.2
507.11285	0.2
593.14838	0.2
595.16644	0.2
611.15948	2.4
627.15137	0.4
684.25104	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	1065.308
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	0.4
79.45235	0.1
81.03408	0.8
83.04980	2.1
83.76331	0.1
84.85252	0.1
85.02901	17.0
86.03226	0.2
87.04455	0.3
91.05479	4.6
93.03436	0.2
95.04971	0.5
97.02892	1.9
97.67757	0.1
99.04447	0.5
107.04939	0.3
109.02876	1.5
111.00801	0.5
111.04437	2.0
113.06007	0.1
117.05504	0.5
119.04937	9.3
120.05238	0.1
120.88092	0.1
121.02874	0.8
123.04430	0.2
127.03918	1.8
129.05472	3.1
135.04379	0.2
137.02328	2.5
137.03285	0.1
145.04939	1.1
147.04405	43.3
147.06439	1.2
148.04761	0.8
149.02312	0.5
149.06000	0.2
153.01822	2.5
153.05464	0.5
161.06033	0.3
163.03908	0.6
163.06039	0.3
165.01816	1.4
165.05473	2.0
166.02609	0.2
171.06532	0.3
173.05994	0.3
177.01625	0.2
183.02956	0.7
183.04359	0.2
189.07666	0.2
191.03391	0.1
195.02910	0.3
201.05490	1.2
201.07306	0.2
205.04953	0.2
213.07613	0.1
215.03587	0.1
219.02824	0.2
219.06635	0.2
229.04967	2.9
229.86076	0.1
239.03452	0.2
239.09106	0.7
240.26100	0.1
247.06042	0.7
257.04449	2.2
257.10229	0.2
274.04825	0.8
275.08838	0.2
275.11484	0.3
285.03928	1.4
287.05469	3.3
287.08417	0.2
288.05859	0.6
291.08652	0.6
293.10013	0.6
302.04276	0.3
303.04974	100.0
304.05298	2.4
309.09665	3.7
310.10254	0.1
313.07242	0.1
315.04907	0.8
317.06537	1.5
318.06894	0.3
327.04822	0.2
345.06107	1.1
369.06009	0.3
381.05637	0.2
395.07397	0.3
411.06870	0.3
413.08597	0.5
419.13284	0.2
431.09561	0.4
449.10684	1.9
450.11169	0.2
455.15439	0.7
465.10284	24.7
466.10410	0.8
479.11639	0.4
601.21832	0.2
611.14423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3071
Annotation	Capilliposide I
Peak:m/z	Relative Intensity
75.04477	0.4
81.03411	0.4
83.04978	1.6
85.02897	8.8
86.73586	0.1
91.05473	5.3
95.04956	0.4
97.02865	0.5
107.04971	0.3
109.02876	0.6
111.00777	0.5
111.04417	1.1
119.04932	10.9
121.02842	0.6
127.03907	0.5
129.05479	3.2
132.54004	0.2
136.46570	0.1
137.02318	2.3
138.05901	0.2
145.06378	0.1
147.04396	49.7
148.04729	0.7
149.02327	0.5
153.01813	2.1
153.05463	0.3
157.05026	0.2
157.06464	0.2
161.06053	0.2
163.03896	0.5
163.06020	0.2
165.01813	1.5
165.05458	2.6
173.05948	0.3
183.02876	0.7
183.04298	0.2
191.06898	0.2
195.02994	0.2
201.05531	0.9
201.07100	0.2
205.04893	0.2
215.07176	0.2
219.03149	0.2
224.80113	0.1
229.04964	2.5
231.06526	0.3
239.09142	0.3
247.05949	0.7
257.04376	2.2
274.01654	0.2
274.04733	0.6
275.05527	0.3
275.09155	0.4
285.03812	1.2
287.05518	0.9
291.08600	1.1
293.10062	0.7
302.04297	0.2
303.04959	100.0
304.05328	1.8
309.09634	2.8
315.04932	0.4
315.12057	0.2
317.06497	0.2
345.05942	1.2
351.69647	0.1
369.05948	0.2
395.07791	0.2
413.08707	0.4
431.09677	0.5
449.10873	1.4
455.15494	0.2
465.10260	30.2
466.10602	1.1
607.59503	0.2
611.15967	0.9
620.90594	0.2
643.38483	0.2
755.17303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04472	0.2
79.05506	0.1
81.03400	0.5
83.04974	1.5
85.02899	8.5
87.04455	0.3
91.05476	6.2
93.03403	0.2
95.04964	0.3
97.02883	0.4
99.04436	0.2
107.04946	0.3
109.02835	0.6
111.00800	0.7
111.04431	1.2
117.03368	0.1
117.05508	0.1
117.07003	0.2
119.04934	12.1
120.05264	0.2
121.02856	1.0
123.04422	0.3
127.03914	0.5
129.04520	0.1
129.05479	2.4
135.04398	0.2
137.02324	2.4
137.03401	0.1
139.04018	0.1
145.02859	0.1
145.04987	0.2
145.06441	0.2
147.04399	44.1
148.04741	0.8
149.02359	0.3
149.05994	0.1
153.01816	2.2
153.02995	0.2
153.05426	0.3
155.04945	0.1
157.05095	0.1
159.06584	0.1
161.05991	0.3
163.03902	1.2
163.06044	0.2
163.07567	0.1
165.01823	1.5
165.05467	0.9
166.02621	0.2
173.05971	0.3
177.05487	0.2
183.02890	0.6
183.04344	0.2
185.05930	0.2
187.04028	0.1
191.03450	0.2
195.02951	0.2
201.05533	1.0
201.07440	0.2
205.04997	0.1
213.05573	0.2
217.04941	0.1
219.02972	0.1
219.06503	0.2
229.04947	3.3
230.05284	0.1
231.06520	0.3
239.09146	0.4
247.06009	0.8
257.04443	2.1
257.10309	0.1
258.04813	0.1
273.07376	0.2
274.04813	0.7
275.05484	0.2
275.09174	0.3
285.03955	1.2
286.04630	0.1
287.05484	3.9
288.05951	0.3
291.08643	1.0
293.09961	0.7
302.04196	0.2
303.04965	100.0
304.05301	2.7
309.09674	1.9
315.04962	0.4
317.06647	0.3
327.04919	0.2
345.05978	0.9
369.05917	0.2
413.08429	0.4
431.09692	0.3
449.10773	1.7
450.11084	0.1
465.10266	26.2
466.10626	1.0
611.15350	0.5
744.39178	0.1
745.04694	0.1
755.18188	0.2
773.18536	0.1
883.77747	0.1
901.22980	0.1
1028.35913	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	1065.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04481	0.2
81.03419	0.7
83.04977	1.8
85.02901	13.4
86.03216	0.1
87.04456	0.3
91.05479	4.7
92.05775	0.1
92.63013	0.1
93.03382	0.1
95.04974	0.3
97.02899	1.0
99.04439	0.4
107.04958	0.2
109.02880	1.0
111.00787	0.8
111.04434	1.7
113.06024	0.1
117.05496	0.1
119.04934	10.0
121.02868	0.7
123.04441	0.3
127.03900	1.2
129.05479	3.1
135.04401	0.2
137.02328	2.5
137.03384	0.1
145.04933	0.4
145.06544	0.1
147.04404	40.3
148.04742	0.5
149.02327	0.4
153.01823	2.3
153.05460	0.4
157.06451	0.1
161.05984	0.2
163.03928	0.5
163.06029	0.3
165.01852	1.4
165.05461	0.9
166.02658	0.1
167.03270	0.1
168.31447	0.1
171.06551	0.2
173.05971	0.3
177.05502	0.3
183.02977	0.8
183.04376	0.2
187.03899	0.2
191.03351	0.2
195.02870	0.3
201.05472	1.0
205.04897	0.1
215.06718	0.1
219.06598	0.3
228.04198	0.2
229.04956	3.2
231.08545	0.1
239.09169	0.6
245.04294	0.1
247.05939	0.7
257.04462	2.2
257.10245	0.4
259.05539	0.1
274.04752	0.7
275.05594	0.1
275.08914	0.3
275.11523	0.2
285.03973	1.2
287.05499	4.7
288.05887	0.7
291.08685	0.3
293.09824	0.5
302.04224	0.2
303.04971	100.0
304.05304	2.5
309.09686	1.9
315.04877	0.8
317.06549	0.6
318.06747	0.1
327.04855	0.2
345.06058	1.2
369.05942	0.4
395.07846	0.2
411.07291	0.2
413.08594	0.5
429.08203	0.2
431.09723	0.5
449.10757	2.1
450.10876	0.3
455.15451	0.3
465.10281	25.4
466.10544	0.9
601.20862	0.2
611.14532	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05071	1.0
79.05485	29.0
81.03419	4.7
81.07049	42.5
83.01373	1.5
83.04973	3.3
83.08630	7.1
83.70619	1.4
85.02884	7.1
85.06556	2.0
86.42330	1.4
91.03944	3.4
91.05478	28.1
93.07039	32.5
95.01311	5.6
95.04968	8.7
95.08595	32.7
97.02889	5.8
97.06516	1.4
97.10170	3.6
103.05467	2.3
105.07018	18.3
107.04961	4.6
107.08583	18.6
109.02881	1.9
109.06493	3.8
109.10145	13.1
115.05450	3.6
116.06216	1.5
117.07005	11.3
119.04927	2.5
119.08576	14.8
121.06485	3.3
121.10127	14.7
123.04404	3.2
123.08070	2.8
123.11717	6.0
125.02342	1.6
125.09650	1.5
127.03862	1.6
128.06181	3.6
129.06999	9.1
131.04985	1.9
131.08566	18.7
133.06480	3.2
133.10135	11.2
135.04430	2.5
135.08008	2.0
135.11714	9.9
137.09587	2.4
137.13263	1.8
141.06923	3.2
142.07739	1.5
143.08548	10.8
145.06474	4.4
145.10115	9.2
147.04420	3.3
147.08017	2.4
147.11674	8.7
149.02284	2.9
149.05992	2.6
149.09601	2.2
149.13251	5.7
151.03886	2.4
151.11227	1.7
155.07318	1.4
155.08488	6.5
157.06418	4.4
157.10150	8.5
159.04335	1.7
159.08035	2.4
159.11668	8.3
161.04536	1.6
161.05980	3.9
161.09622	2.8
161.13258	3.2
163.03883	3.4
163.11177	3.0
163.14774	1.8
165.01816	1.7
165.06941	1.7
166.29126	1.5
167.08549	4.6
169.10129	6.6
171.08083	3.3
171.11649	7.1
173.05948	4.6
173.09593	3.3
173.13249	4.5
175.03917	3.9
175.07654	2.3
175.11159	3.1
175.14870	2.4
177.05530	2.1
179.03391	1.4
179.08606	2.8
181.10081	3.8
183.08009	2.1
183.11714	4.8
184.07349	2.2
185.06009	1.7
185.09677	2.1
185.13263	4.2
187.03889	2.3
187.11182	4.6
187.14839	2.2
189.05336	6.5
189.12721	1.6
193.10144	2.3
195.08052	2.2
195.11702	4.4
197.09605	3.0
197.13292	4.0
199.07452	1.6
199.11270	3.8
201.05524	1.9
201.16513	1.7
205.10243	2.7
205.12112	1.6
209.09735	1.6
209.11578	2.0
211.11208	2.8
211.14886	1.9
213.09106	1.5
213.12640	1.9
215.10609	2.6
215.14162	1.6
221.04478	9.6
223.11206	2.8
223.14828	1.8
225.12708	2.4
227.10695	2.0
231.10031	1.9
233.11725	4.1
235.06157	1.7
241.08556	1.9
241.12224	5.1
243.10175	3.3
243.21049	1.7
245.11911	1.8
251.10564	3.8
259.13293	3.2
261.11392	3.0
261.22089	5.2
269.11746	5.7
277.10757	3.4
287.12805	7.3
289.10791	2.3
295.20380	1.7
297.11160	3.8
303.12100	1.7
305.13788	3.2
307.11774	2.8
307.15375	3.5
315.12228	11.7
317.24799	2.3
325.12717	1.9
333.13315	56.6
333.24298	3.6
335.25784	100.0
336.26285	3.2
351.14407	6.2
369.15317	1.5
385.28403	1.5
407.17273	7.3
414.17017	1.7
417.31265	2.4
425.18033	46.1
426.18344	2.3
427.19684	2.1
432.33591	1.3
435.32672	5.6
443.19119	20.2
453.33423	3.2
475.31744	1.4
509.36240	3.8
511.32352	2.3
512.61981	1.5
527.37280	45.0
528.38220	14.5
529.39026	7.4
547.33905	2.1
557.32361	4.1
567.36774	2.1
575.33459	5.9
593.34766	9.1
611.35834	16.1
629.36505	4.9
631.36548	1.7
649.36884	3.4
667.38403	13.8
685.39349	68.3
703.40466	68.7
704.40179	5.1
811.71063	1.5
901.52191	1.6
922.72998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	34.1
79.43130	1.0
80.63554	1.0
81.03416	3.4
81.07053	44.6
83.04980	2.1
83.08610	7.5
85.02897	6.0
85.06522	1.6
91.03949	3.8
91.05479	33.4
93.06473	2.2
93.07040	36.0
95.01332	5.3
95.04955	10.7
95.08601	34.2
97.02899	6.1
97.06525	3.8
97.10164	3.6
97.66546	1.1
99.08081	1.4
103.05470	3.2
105.03360	1.2
105.07024	20.0
107.04959	6.0
107.08582	19.5
109.02866	3.9
109.06513	3.2
109.10158	13.6
111.04462	1.4
111.08108	2.4
115.05449	3.8
117.07014	12.9
119.04932	3.1
119.08564	16.7
121.02861	2.7
121.06531	3.4
121.10143	17.8
123.04393	2.4
123.08097	3.0
123.11715	5.8
125.02332	2.1
125.09599	1.2
127.03900	2.1
128.06232	3.9
129.05473	1.3
129.07007	11.1
131.04916	3.4
131.08571	17.7
133.06473	3.2
133.10126	12.8
135.04411	2.7
135.08029	3.7
135.11687	8.7
137.05968	2.0
137.09628	2.2
137.13210	2.3
139.03900	2.0
139.11124	1.2
141.01816	1.4
141.06973	4.8
143.08554	7.3
145.06496	4.6
145.10121	14.3
147.04417	3.8
147.08070	2.2
147.11662	8.1
149.02325	3.7
149.05988	1.4
149.09616	2.8
149.13266	5.4
151.03882	3.1
151.11099	1.4
153.06972	2.8
155.03365	1.1
155.08543	6.3
157.06467	3.4
157.10133	7.7
159.04391	2.9
159.08015	1.6
159.11679	7.9
161.05954	3.2
161.09633	1.5
161.13239	4.5
163.03889	4.7
163.11147	2.1
163.14874	1.2
165.01888	1.5
165.05460	2.4
165.06979	1.5
165.09129	1.0
165.12779	1.6
166.07816	1.2
167.03383	1.3
167.08553	3.4
169.06459	1.3
169.10124	6.9
171.04366	1.5
171.08101	3.1
171.11696	4.7
173.05974	4.6
173.09636	2.2
173.13307	5.2
175.03925	5.0
175.07613	2.0
175.11188	2.5
177.05493	2.0
179.03435	2.3
179.08583	2.7
181.06497	1.2
181.10110	2.8
183.08102	2.9
183.11673	5.4
184.07329	2.0
185.05988	2.5
185.09482	1.9
185.13216	5.4
187.03918	1.4
187.07541	2.1
187.11198	2.6
187.14815	3.0
189.05469	4.5
189.09122	1.5
189.12749	1.6
191.03427	2.6
191.08490	1.5
193.10147	2.4
195.08112	1.7
195.11673	4.3
197.04439	2.2
197.09641	2.2
197.13269	3.3
199.03943	3.1
199.11145	3.2
199.14766	2.2
201.05484	1.4
201.09041	2.2
201.12794	1.8
201.16385	1.4
203.06987	1.3
203.10527	1.3
205.05011	2.1
205.12099	1.4
209.09741	2.0
211.11113	1.2
211.14781	1.0
213.05493	2.0
213.09085	1.6
213.12720	2.6
215.10727	1.9
217.04883	2.2
217.12048	1.3
221.04422	6.9
223.11127	3.9
225.09143	3.5
225.12717	2.3
227.07039	1.8
227.10698	2.5
231.10191	1.9
233.11600	6.5
235.06007	2.5
239.10768	1.6
239.18108	1.1
241.12273	6.8
243.10100	5.0
243.13844	1.6
243.21075	1.9
251.10590	3.8
255.10170	2.6
257.11819	1.7
259.13339	4.4
259.20670	1.8
261.11230	3.0
261.22141	7.3
269.11707	7.0
271.09644	1.7
271.13196	1.8
277.10754	3.4
277.21918	1.3
287.12592	6.1
289.10596	3.4
289.13770	1.4
297.11206	4.0
297.22128	1.5
303.12265	2.2
305.13834	3.5
307.11890	1.9
307.15399	2.7
315.12228	12.9
317.24832	2.1
325.12756	2.4
333.13303	52.2
333.24100	5.0
335.25790	100.0
336.26169	2.0
351.14340	7.8
369.15363	2.1
407.17041	7.4
417.31589	2.0
425.18057	45.2
426.18201	1.6
427.19531	1.4
435.32651	6.4
443.19052	21.0
453.33688	1.8
509.35995	4.4
527.37366	41.2
528.38104	11.8
529.39160	7.4
539.30939	1.5
547.34015	1.8
557.32239	3.4
567.36884	2.3
575.33411	4.7
583.36182	1.9
593.34863	9.4
607.36688	1.5
611.35632	12.9
612.34888	1.1
629.36298	2.5
649.37012	3.0
667.38477	17.1
685.39417	66.4
686.39215	3.2
703.40466	72.2
704.40680	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	3.2
53.03944	19.0
56.01395	0.6
59.04771	0.7
69.46407	1.3
69.46819	5.3
77.03923	3.9
79.05487	69.5
80.05809	1.7
81.03403	1.4
87.00819	0.8
95.04961	42.2
96.05292	1.2
103.05457	51.0
104.05776	1.4
105.03400	1.0
105.04510	8.0
105.07022	100.0
106.07359	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.9
51.02369	3.1
53.03944	15.4
55.01863	0.9
56.96550	0.9
59.68153	0.5
60.04516	1.7
60.08147	0.8
61.08485	1.1
65.03933	1.9
70.03735	0.5
75.95905	0.5
77.03923	4.2
79.05491	60.2
80.05820	1.4
81.03409	1.6
87.00822	2.5
95.04964	40.2
96.04480	1.1
96.05319	0.9
97.68867	0.4
98.21496	1.8
99.99079	0.5
103.05462	39.5
104.05746	0.9
104.90821	0.7
105.03408	1.4
105.04523	8.1
105.07026	100.0
105.11071	2.1
106.06544	2.6
106.07365	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	1060.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	4.6
81.03404	6.4
81.07053	21.4
83.08629	4.4
84.78761	1.0
85.02903	26.9
87.00807	6.4
91.03989	1.5
91.05467	5.3
93.07038	14.1
95.01334	3.2
95.08601	38.9
97.02880	13.8
97.10163	4.8
99.04456	2.9
103.05454	1.0
105.01849	13.6
105.07025	10.3
107.08596	22.7
109.02880	11.9
109.10146	25.4
111.11722	1.4
112.79823	0.9
117.07039	0.9
118.98798	0.8
119.08574	19.1
119.09366	1.5
121.10134	26.1
123.11704	15.2
127.03910	19.4
131.03564	0.9
131.08624	4.4
133.10124	15.1
135.11673	17.7
137.13240	9.4
141.01807	9.9
143.08557	1.5
145.04985	9.8
145.10091	4.8
147.04390	1.1
147.11705	12.2
149.13258	19.0
151.14830	1.0
153.09077	2.2
157.09938	1.1
159.02899	3.9
159.11720	3.9
161.13223	9.1
163.05991	2.1
163.14851	8.4
167.10635	1.1
173.13248	4.4
175.14833	11.1
177.16350	6.4
179.10719	1.6
179.17947	1.3
187.14757	4.5
189.16374	26.7
191.17937	46.3
196.98125	1.1
199.14745	1.1
201.16367	31.9
203.17941	37.3
205.19501	29.2
213.03979	3.5
213.16385	2.7
215.17926	13.5
217.19499	8.0
219.17331	1.3
221.19130	1.3
227.17964	2.1
229.19566	3.1
231.04982	10.6
231.21069	2.5
235.16837	4.5
241.19479	4.1
241.97725	1.0
243.21086	6.4
245.22604	4.1
247.16925	18.9
249.06087	5.2
249.18539	5.8
255.21060	2.7
257.22546	2.8
261.18500	9.2
269.22601	2.1
280.07074	1.1
289.21417	2.0
303.22852	1.4
315.23068	1.4
355.26309	1.2
389.07016	1.1
391.33942	1.1
393.09903	1.2
393.35162	19.6
411.36151	5.2
421.34375	1.6
437.33966	1.2
439.35690	100.0
440.35910	1.9
669.39752	2.1
1042.55688	1.1
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
50.01607	0.9
51.02378	2.7
53.03946	15.8
55.01868	0.9
65.03947	2.1
69.67705	2.0
69.68118	1.0
77.03931	4.8
79.05490	69.5
80.05829	1.3
81.03421	1.4
95.04964	41.3
96.04440	0.5
96.05296	0.8
98.21552	0.5
103.05464	43.4
103.66540	0.3
104.05768	0.7
105.04530	7.2
105.07027	100.0
105.11078	1.7
106.06573	1.1
106.07364	2.5
107.61848	0.4
118.06540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01594	1.1
51.02380	2.7
53.03946	15.7
55.01869	1.0
57.16680	0.3
59.74184	0.3
61.41572	0.3
65.03948	0.4
71.01645	0.4
71.01976	0.8
77.03931	4.7
78.04755	0.3
79.05490	71.9
80.05837	1.4
80.24741	0.3
81.03418	1.8
86.26370	0.3
95.04967	42.0
96.05292	0.8
103.05464	58.0
104.05807	1.2
105.04538	6.3
105.07027	100.0
106.07346	3.1
118.06550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
51.02375	2.8
53.03945	12.5
54.00674	0.2
54.04280	0.3
54.69061	0.2
55.01874	0.8
60.04515	0.2
65.03938	0.3
68.29256	0.2
70.62518	0.5
70.62919	0.5
77.03922	4.7
77.25685	0.2
79.05490	67.7
80.05820	1.1
81.03411	2.1
82.51679	0.2
95.04966	37.3
96.05317	0.5
102.04660	0.3
103.05465	50.6
104.05738	1.2
105.04530	6.8
105.07027	100.0
106.07354	2.6
118.06551	0.3
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
50.01588	1.3
51.02372	4.7
53.00308	0.7
53.03945	20.9
55.01864	1.1
55.30162	0.7
56.96548	0.9
60.04515	2.6
60.08153	1.6
61.08511	1.2
61.32171	0.7
64.92809	0.8
65.03926	2.2
69.46413	1.6
69.46828	4.7
77.03930	5.7
79.05491	73.1
80.05821	1.3
81.03407	2.0
87.00825	4.0
95.04966	57.0
96.04482	1.4
96.05298	0.9
97.68536	0.8
103.05463	48.7
104.06336	0.8
104.90886	0.7
105.01884	1.0
105.03384	2.9
105.04521	11.6
105.07024	100.0
105.11069	2.6
106.06541	3.6
106.07346	3.3
106.41039	0.7
112.16511	0.7
121.55670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.334
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	0.8
75.04466	0.5
81.03405	0.3
83.04477	0.1
83.04972	2.6
84.87844	0.1
85.02897	12.8
86.03308	0.1
87.04435	0.4
91.03957	0.4
91.05473	0.1
95.04946	0.5
97.02874	0.8
97.06512	0.2
99.04440	0.4
102.45290	0.1
103.05441	0.1
105.03374	0.1
107.04937	0.2
109.02856	0.3
111.00807	0.3
111.04430	2.7
113.05994	0.3
117.05483	0.3
119.04935	0.2
121.02859	1.9
121.06498	0.2
123.04421	0.1
127.03913	0.7
129.05472	3.9
130.05841	0.1
133.02858	0.3
137.02359	0.4
139.03883	0.1
145.04938	0.3
145.06514	0.1
147.04401	0.7
147.06509	1.3
151.03877	0.1
151.07422	0.1
153.01807	1.9
153.05455	0.6
157.04980	0.2
157.06396	0.2
159.06500	0.1
161.05960	0.1
163.06024	0.6
165.01823	1.0
165.05444	0.1
169.06343	0.1
169.69562	0.1
171.06566	0.3
175.03889	0.1
179.05441	0.1
179.06993	0.1
183.02844	0.4
183.06662	0.1
185.05959	0.3
189.05516	0.1
195.06534	0.1
197.05965	0.1
201.07599	0.2
213.05479	0.7
213.07495	0.2
229.35197	0.1
231.06482	0.5
239.09102	0.8
241.04892	0.6
243.06393	0.1
245.04388	0.1
255.08620	0.2
257.10187	0.4
258.05231	0.6
259.06009	0.3
263.05402	0.1
269.04465	0.2
275.11295	0.4
283.05981	0.2
286.04742	0.2
287.05472	100.0
288.05811	2.5
293.12366	0.3
299.05505	1.0
300.06250	0.3
311.05518	0.4
313.07242	0.1
325.07101	0.3
329.06494	2.3
351.08621	0.1
353.06497	0.8
379.08081	0.6
397.09094	1.2
413.08539	0.1
415.10190	0.9
431.09485	0.1
433.11258	1.8
434.11453	0.1
449.10764	26.7
450.11038	0.9
491.12045	0.2
577.15399	0.2
579.16791	0.3
595.16534	1.5
611.07257	0.1
611.15643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
72.82047	0.1
73.02910	0.5
74.26337	0.1
75.04469	0.3
77.03939	0.3
81.03401	0.6
83.04977	1.8
85.02900	11.6
86.03214	0.1
87.04458	0.3
87.49974	0.1
91.05460	0.3
93.03397	0.2
95.04973	1.0
97.02890	1.4
97.06551	0.1
98.20721	0.2
99.04444	0.4
102.04676	0.2
103.05460	9.8
104.05785	0.2
105.07019	0.1
107.04922	0.1
109.02875	0.7
111.00807	0.6
111.04435	1.5
113.06013	0.1
117.05507	0.3
119.04940	0.5
121.02875	0.7
123.04426	0.2
125.05977	0.1
127.03909	1.2
129.04501	0.1
129.05472	3.0
131.04919	29.1
132.05217	0.5
135.34647	0.1
137.02327	2.3
137.05988	0.2
139.03886	0.1
145.04948	0.7
145.06471	0.1
147.04417	1.5
147.06480	0.7
149.02390	0.5
149.05974	1.7
151.03792	0.1
153.01825	2.3
153.05467	0.3
157.04987	0.2
161.02434	0.1
161.05977	0.1
163.03923	0.3
163.06015	0.3
165.01836	1.4
166.02655	0.2
168.39296	0.1
171.06479	0.1
171.07964	0.1
173.06001	0.3
177.05420	0.2
183.02942	0.7
183.04387	0.2
183.06430	0.2
187.03845	0.2
191.06946	0.1
195.02890	0.2
195.06517	0.1
199.02306	0.1
201.05476	0.8
201.07266	0.2
205.04858	0.2
213.05563	0.2
215.03329	0.1
219.02864	0.2
219.06436	0.3
228.04218	0.1
229.04956	3.1
233.04478	0.1
239.09119	0.4
247.06059	0.7
257.04413	2.5
257.10229	0.2
258.04807	0.1
259.09711	0.2
274.04712	0.5
275.05499	0.2
275.09039	0.4
275.11560	0.2
277.10724	0.3
285.03836	1.3
287.05496	4.1
288.05750	0.2
293.10107	2.0
302.04236	0.3
303.04968	100.0
304.05292	2.8
315.04938	0.5
317.06570	0.4
327.04926	0.3
341.06537	0.1
345.05948	1.2
353.06445	0.1
363.46732	0.1
369.06009	0.4
391.08133	0.1
413.08417	0.6
421.15085	0.2
431.09741	0.4
433.10104	0.1
439.15790	0.2
447.09122	0.1
449.10745	1.8
450.11136	0.1
465.10278	26.4
466.10522	1.3
577.13831	0.2
595.14392	0.6
611.15765	0.4
739.18652	0.3
855.49200	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	1049.3119
Annotation	Capilliposide II
Peak:m/z	Relative Intensity
73.02921	0.2
74.90210	0.1
75.04460	0.4
78.43016	0.1
79.05485	0.1
81.03403	0.3
81.07661	0.1
83.04973	1.3
85.02897	8.3
87.04469	0.2
87.95819	0.1
88.62183	0.1
91.05473	5.0
94.25513	0.1
95.04947	0.4
97.02879	0.5
99.04450	0.2
105.03397	0.2
107.04939	0.3
109.02876	0.3
111.00780	0.4
111.04432	1.1
113.05975	0.1
117.05511	0.2
119.04927	10.6
120.05242	0.2
121.02851	1.8
121.06475	0.1
127.03886	0.6
129.05470	2.8
133.02831	0.3
137.02303	0.4
145.04906	0.1
145.06490	0.1
146.26059	0.1
147.04395	45.3
148.04733	0.7
149.05943	0.1
153.01807	2.1
153.05481	0.3
157.06497	0.3
163.06027	0.2
165.01804	1.2
165.05470	2.2
165.06865	0.1
169.06470	0.1
171.58339	0.1
173.05862	0.2
175.03923	0.1
183.02835	0.5
185.05936	0.2
189.05553	0.1
201.05415	0.1
203.06981	0.2
213.05455	0.8
213.07346	0.1
231.06516	0.7
239.09131	0.3
241.04933	0.7
241.07106	0.1
243.06441	0.1
258.05203	0.9
259.06097	0.3
269.04468	0.1
273.07489	0.1
275.09100	0.4
286.04630	0.1
287.05466	100.0
288.05804	2.8
291.08517	1.0
293.10083	0.7
299.05527	0.4
309.09671	2.8
311.05655	0.2
315.04962	0.1
329.06577	1.0
351.08652	0.1
353.06631	0.2
379.08060	0.2
397.09061	0.7
415.10089	0.4
431.09393	0.1
433.11221	0.7
449.10757	28.0
450.11041	1.2
455.14883	0.1
495.85660	0.1
553.02710	0.1
577.14178	0.1
592.71643	0.1
595.16162	0.6
739.18262	0.3
834.34442	0.1
857.53009	0.1
885.23193	0.1
1053.50122	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	1049.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02893	0.4
75.04453	0.3
78.64163	0.1
79.86473	0.1
81.03407	0.3
83.04978	1.2
85.02895	7.7
87.04436	0.2
91.05469	4.5
95.04974	0.3
97.02867	0.3
98.20762	0.3
99.04431	0.2
107.04935	0.3
109.02885	0.3
109.34941	0.1
111.00778	0.6
111.04443	0.9
117.05447	0.2
118.53396	0.1
119.04927	9.2
121.02829	1.4
127.03890	0.5
129.05463	2.0
133.02829	0.2
137.02376	0.3
145.06497	0.3
147.04391	40.6
148.04764	0.7
153.01805	1.6
153.05434	0.4
157.06418	0.2
163.06152	0.3
165.01820	1.1
165.05484	0.7
171.04366	0.2
175.03749	0.1
183.02919	0.5
185.05937	0.3
187.07442	0.2
189.05515	0.2
197.06079	0.2
199.07474	0.2
203.07042	0.2
213.05338	0.7
229.08630	0.2
231.06494	0.8
239.09094	0.4
241.04993	0.5
253.96959	0.1
258.05237	0.6
259.05984	0.2
273.07486	0.2
275.09195	0.5
286.04749	0.2
287.05463	100.0
288.05801	2.2
291.08630	0.9
293.10178	0.5
299.05396	0.4
309.09668	1.6
311.05444	0.3
329.06589	0.9
353.06659	0.2
379.08087	0.2
392.53653	0.1
397.09042	0.4
415.10172	0.2
433.11465	0.8
449.10754	23.6
450.10971	0.6
595.15430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	0.5
73.96952	0.1
75.04470	0.2
81.03405	0.6
83.04978	1.8
83.35559	0.1
85.02899	14.5
86.03243	0.2
87.04470	0.3
87.91352	0.1
90.89389	0.1
91.05478	4.6
95.04974	0.3
96.89228	0.1
97.02882	1.6
97.06470	0.2
99.04448	0.6
105.03367	0.2
107.04962	0.4
109.02872	1.1
111.00797	0.5
111.04442	1.5
115.05455	0.1
117.05504	0.2
119.04933	8.2
121.02859	1.7
123.04321	0.1
127.03914	1.3
129.05472	2.5
133.02817	0.3
135.04428	0.2
137.02328	0.5
145.04961	0.8
147.04402	39.2
147.06424	1.1
148.04736	0.8
153.01804	1.8
153.05484	0.4
157.06438	0.2
163.06013	0.5
165.01805	1.1
165.05469	1.7
169.05014	0.2
180.84332	0.1
183.02916	0.4
183.06471	0.2
185.05962	0.3
213.05534	0.8
213.07344	0.2
216.11909	0.1
231.06503	0.5
239.09235	0.5
241.04951	0.6
258.05215	0.7
259.05951	0.2
269.58221	0.2
275.11282	0.3
287.05478	100.0
288.05838	2.8
291.08514	0.2
293.10150	0.5
299.05499	0.8
309.09683	3.2
311.05554	0.3
325.06879	0.2
329.06506	1.1
353.06552	0.4
365.06772	0.2
379.08200	0.2
395.07611	0.2
397.09113	0.7
415.10172	0.4
419.13245	0.2
433.11407	1.1
437.14120	0.2
449.10782	23.9
450.11182	0.9
455.15405	0.5
536.18219	0.1
595.15363	0.8
685.96326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00650	4.5
75.30738	1.4
76.02214	20.7
76.03985	6.7
77.05063	1.3
79.05486	14.0
80.05009	9.8
81.03424	7.1
81.05789	4.1
81.07052	13.4
82.06564	5.0
83.04989	2.0
83.06096	8.8
83.08617	3.8
84.04498	49.8
85.01124	52.4
85.02903	2.2
85.04025	4.2
85.06596	1.6
86.00130	2.8
86.00643	38.0
86.99049	51.2
86.99582	3.2
87.02682	2.3
88.02233	6.8
91.05471	14.2
93.07022	13.0
94.06595	1.8
95.04951	4.4
95.08594	10.4
96.04497	4.2
97.01119	12.9
97.02870	1.7
97.10146	3.6
98.00626	5.0
98.06024	3.3
99.01417	1.6
99.05573	4.4
100.02189	9.1
102.00146	1.4
102.03760	31.7
102.05537	25.4
105.07021	8.5
107.04948	2.5
107.06048	3.8
107.08594	7.4
108.04463	3.3
109.05245	1.6
109.07637	6.0
109.10151	5.0
110.06038	2.2
112.02177	33.1
112.03964	4.9
113.00578	5.3
113.03477	1.5
114.00107	2.8
114.03741	18.0
114.05492	1.7
115.02161	1.5
116.01667	28.0
117.06986	2.4
118.06535	1.6
119.08585	6.8
120.08070	1.2
121.10141	4.4
124.02171	6.0
124.03970	1.5
125.00629	2.6
125.09635	3.8
126.03693	3.0
126.05515	2.0
128.07091	1.7
129.06543	7.9
130.03246	14.1
130.04999	29.6
131.01604	1.5
131.04526	1.9
131.08551	3.9
132.01160	3.2
132.04794	1.7
133.10106	4.2
134.05972	2.6
135.11646	1.6
136.03885	2.7
137.00558	1.8
140.01651	5.1
142.03212	47.9
143.02724	39.4
144.01155	7.1
145.06090	6.8
145.10123	3.4
147.11696	2.7
149.13223	1.4
152.01637	3.2
153.06613	4.4
155.08139	8.4
156.06538	10.4
158.02710	8.6
160.00581	1.9
162.02216	14.0
162.05487	1.7
163.11166	1.5
165.12715	1.6
168.04794	5.8
169.04260	6.7
169.05875	1.4
170.02708	6.1
171.02214	6.9
173.09308	4.2
173.13202	1.3
177.03255	12.8
179.04855	15.5
181.06120	5.6
184.05994	2.3
185.03798	4.0
187.05391	2.1
188.03853	9.6
188.05299	2.4
189.03268	100.0
193.06104	1.6
193.12218	3.3
196.04301	11.8
199.05389	3.1
199.07155	3.5
200.07892	2.1
201.08643	2.0
202.03967	2.2
205.06419	31.0
208.05998	1.9
213.07010	1.8
215.04846	43.3
217.06387	3.9
223.05446	1.6
224.03732	5.0
227.04880	4.8
231.04414	6.4
233.05905	33.2
241.06349	4.6
245.05885	20.1
259.07465	6.4
259.20496	1.8
261.22168	1.8
266.12170	6.8
267.15924	4.8
269.05774	3.2
275.11072	2.4
283.15366	1.4
284.12979	2.6
287.06973	17.2
288.06491	1.6
294.11548	3.4
299.06866	3.1
305.75204	1.9
306.07617	3.2
307.08459	6.5
308.09015	8.4
316.09479	1.8
317.07904	1.9
323.14389	1.6
334.10611	24.3
335.25778	17.0
340.15869	2.3
341.15384	1.8
345.07574	3.2
362.10144	56.1
363.10617	1.7
392.11011	2.0
461.19168	2.9
489.35403	1.6
570.00842	1.4
608.24628	1.8
611.66528	1.6
618.38232	3.3
636.38531	1.5
654.39642	1.9
721.40790	8.3
739.42072	14.9
740.40485	1.5
757.42975	12.2
779.41113	2.0
793.42328	6.0
811.43585	5.8
868.46143	9.8
886.47327	43.5
887.46661	2.8
1048.53784	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	1048.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
73.71387	0.9
74.00663	6.0
74.06097	1.5
75.01434	1.3
75.02685	1.1
76.02222	20.6
76.03996	6.5
79.05482	14.9
80.05014	11.0
81.03417	5.7
81.05790	2.9
81.07056	16.3
82.06570	4.5
83.04954	1.4
83.06101	10.4
83.08619	3.8
84.03981	1.3
84.04499	47.9
85.01123	50.3
85.02908	3.7
85.04027	4.2
86.00647	33.6
86.99049	46.7
87.02690	1.9
88.02221	6.4
91.05471	12.6
92.01685	2.7
92.86922	1.1
93.07040	10.9
94.06552	1.4
94.22556	1.1
95.04967	5.3
95.08612	10.0
96.04490	5.0
97.01112	12.4
97.02879	3.0
97.06531	1.4
97.10163	2.5
98.00655	6.3
98.06033	2.5
98.99051	1.8
99.01421	1.7
99.02688	1.2
99.05573	3.2
100.02203	7.9
102.03764	32.0
102.05532	24.6
105.07008	7.7
106.06548	1.6
107.04965	1.5
107.06059	1.7
107.08566	7.4
108.04488	2.9
109.05257	1.3
109.06503	1.5
109.07638	4.7
109.10146	6.6
110.06053	2.0
112.02182	28.0
112.03990	3.8
113.00603	5.1
114.03756	17.9
114.05505	2.4
115.02130	1.5
116.01661	24.3
117.06991	3.0
119.08581	5.2
121.10126	6.0
123.08064	1.7
123.11745	1.5
124.02175	4.6
125.00602	2.2
125.09646	2.5
126.03780	1.9
126.05530	4.1
129.06549	6.1
130.03239	13.8
130.04991	25.0
131.04515	3.5
131.08575	4.2
132.01128	2.7
132.04715	2.4
133.10146	3.6
134.06006	2.1
135.05515	1.7
135.11707	4.9
136.03908	2.5
139.02039	1.3
140.01645	5.6
142.03217	40.2
142.04994	2.2
143.02736	35.2
143.04488	1.6
143.08603	1.1
144.01122	5.5
145.06065	8.1
145.10115	3.6
146.02686	1.6
147.11661	3.2
149.13194	1.1
152.01659	3.2
153.06561	6.0
155.08186	9.1
156.06566	8.5
158.02699	7.2
160.00636	1.6
161.05563	1.1
161.21295	1.2
162.02225	10.8
162.05450	1.2
163.11212	2.1
168.04829	7.3
168.06522	2.0
169.04314	7.6
170.02673	6.4
171.02220	6.8
173.09248	2.5
174.43558	1.1
177.03281	16.9
179.04851	17.9
181.06065	6.4
184.06021	2.1
185.03835	4.1
187.05367	2.6
188.03778	7.7
188.05313	1.8
189.03279	100.0
193.12230	2.5
196.04303	11.7
199.05344	3.4
199.07149	3.3
201.08725	1.5
202.04193	2.2
205.06407	35.8
208.06026	2.6
211.07124	1.7
215.04842	43.0
217.06419	4.5
224.03778	4.9
227.04846	4.5
231.04382	6.7
231.08125	3.0
232.05083	2.4
233.05917	34.3
238.07079	1.3
241.06392	5.5
243.04401	2.3
245.05905	15.6
248.11122	1.3
259.07455	6.0
259.20422	1.4
261.22260	1.7
266.12216	6.1
267.15958	4.3
269.05963	4.4
274.10202	2.0
275.11139	2.0
284.13168	2.4
287.07040	13.7
288.06332	2.1
294.11725	1.6
299.06982	3.3
306.07535	4.1
307.08234	7.0
308.09033	7.7
312.12613	1.4
316.09769	2.3
317.07971	2.3
323.14236	1.3
333.24219	1.3
334.10648	22.0
335.25784	21.3
340.15909	1.6
341.15265	2.2
344.09171	1.7
345.07587	2.5
350.14734	1.7
351.13477	1.1
362.10141	49.7
369.14996	1.2
392.11252	1.8
431.84958	1.3
443.18323	2.3
461.19315	4.0
479.20691	1.8
600.36981	1.5
608.25037	2.2
636.39471	1.8
639.41541	1.5
654.40405	1.3
703.40216	1.8
705.40979	2.1
721.40527	10.5
739.41821	15.4
757.42859	11.4
775.41541	1.9
793.42511	5.1
811.43683	7.4
850.43060	1.6
868.45557	8.6
886.47253	35.0
887.47278	2.0
1030.50586	1.5
1048.57385	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	1045.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	2.8
74.01469	0.4
75.04487	2.3
78.05864	0.5
79.05478	4.4
81.03407	1.3
81.07051	15.8
83.04974	6.5
83.08617	3.2
85.02898	40.0
87.04456	0.9
91.03947	3.4
91.05468	5.0
93.07040	13.0
93.07626	0.8
95.01327	9.3
95.04952	1.7
95.08599	34.4
97.02887	4.7
97.06503	0.7
97.10161	2.7
99.00803	1.1
99.04447	0.7
101.02369	0.7
103.03941	2.1
103.05454	0.4
105.07022	14.4
105.17400	0.4
107.08586	21.9
109.02866	1.1
109.06509	0.9
109.10148	21.7
111.04438	5.6
111.08062	4.3
111.11704	1.0
113.02348	1.6
115.03909	0.8
115.05464	0.4
117.07014	1.6
119.08571	18.1
121.10132	18.7
123.08105	0.6
123.11701	8.6
127.03850	3.2
129.05466	9.2
129.06996	0.9
131.03374	0.7
131.08563	5.1
133.10115	16.7
135.11681	11.7
137.09641	0.5
137.13261	2.6
139.11159	1.6
141.01819	26.7
143.08562	2.0
145.04938	3.0
145.10107	9.0
147.06522	6.2
147.10490	0.7
147.11674	13.9
149.13254	10.0
151.11116	0.5
151.14734	0.6
153.12746	0.6
155.08472	0.5
157.04951	0.6
157.10106	3.8
159.02867	6.2
159.11691	10.6
161.13251	13.6
162.13686	0.4
163.05975	5.7
163.11133	0.5
163.13446	0.4
163.14818	8.5
165.07625	0.6
165.12749	0.9
169.10117	1.2
171.06477	0.6
171.11653	3.1
172.12363	0.6
173.13251	9.5
175.14825	9.2
177.03952	1.3
177.12781	0.6
177.16380	10.7
179.14310	0.4
179.17926	2.4
183.11664	1.2
185.13251	3.5
187.14798	8.2
189.16373	11.2
191.14291	0.9
191.17934	5.4
193.15808	2.0
197.13286	1.4
199.14798	3.7
201.16373	15.9
201.18283	0.9
203.13994	0.5
203.17944	17.3
205.15836	5.2
205.19508	3.7
207.17412	1.9
211.14790	0.7
213.16315	3.5
215.17941	8.4
217.16087	2.8
217.19487	12.8
219.17427	2.8
219.20967	0.7
221.19020	0.8
225.16409	1.2
227.17938	5.2
229.19476	7.0
231.17418	1.0
231.21049	2.2
233.19023	1.3
239.17957	1.1
241.19510	4.0
243.21075	7.4
245.18971	2.3
245.22783	0.5
247.20624	1.1
253.19606	1.0
255.08662	0.9
255.21092	5.6
256.21576	0.6
257.22595	5.2
259.20590	1.5
261.22162	1.2
267.21057	1.5
269.06577	0.8
269.22617	4.5
271.20511	0.7
271.24234	1.4
273.09537	0.6
281.22702	1.3
283.24210	2.3
285.22122	1.0
285.25586	0.7
287.07623	1.4
287.23672	0.5
295.24243	1.3
297.25726	1.5
305.08643	2.5
309.11716	1.0
309.25797	1.2
311.27289	0.8
313.25186	1.2
339.09485	0.5
349.28873	0.5
350.19492	0.5
363.30411	0.6
365.31982	5.5
403.33893	0.8
405.35132	24.2
406.35501	1.3
407.36545	0.6
421.34668	1.8
423.36176	100.0
424.36505	3.8
441.37192	3.6
493.36728	1.6
511.37820	4.6
533.40015	0.6
551.40552	0.7
569.41699	0.7
581.38330	10.0
582.38586	0.9
599.39301	10.0
600.40179	0.6
630.47650	0.5
685.72766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.589
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	2.5
74.18761	0.5
75.04478	2.6
79.05510	3.3
81.03416	1.0
81.07052	17.4
82.07433	0.6
83.04987	9.4
83.08615	4.1
85.02904	52.1
86.06087	0.6
87.04465	1.8
91.03954	3.9
91.05471	3.4
93.07043	9.5
95.01316	3.4
95.04967	1.3
95.08603	33.1
97.02896	6.9
97.10157	3.0
98.21433	0.8
99.00847	0.6
99.04475	1.4
101.06025	0.7
103.03953	1.8
103.05455	0.7
105.07021	9.6
105.07687	1.0
107.08590	17.6
109.02879	0.7
109.10152	18.5
111.04442	10.9
111.11695	0.7
115.61027	0.5
117.06990	1.4
119.08569	11.2
121.10135	15.2
123.11712	12.0
127.03896	5.5
129.05478	22.8
131.03410	0.6
131.08560	3.2
133.10135	10.5
135.11685	11.8
137.05977	0.6
137.13239	9.8
141.01828	16.4
141.06950	0.6
143.08562	1.1
145.04955	4.1
145.10135	5.0
146.08113	0.9
146.09651	0.5
147.06512	14.7
147.11679	7.9
149.13257	9.9
151.14812	1.5
157.05037	0.9
157.10165	1.9
159.02870	5.7
159.11693	8.0
161.13258	7.7
163.06013	9.8
163.07368	0.9
163.14807	6.7
164.09178	1.1
165.07619	0.9
169.05017	0.6
171.11707	2.6
173.13277	5.3
175.14848	4.5
177.04016	1.0
177.16396	12.2
179.18001	0.7
185.13239	1.3
187.14804	5.9
189.16389	9.2
191.17944	10.1
197.13298	0.7
198.11284	0.5
199.14799	1.8
201.16396	10.0
203.17961	11.7
205.19490	4.4
207.17487	0.7
213.16418	1.9
215.17949	6.4
217.07127	1.3
217.19504	8.5
219.21129	1.0
227.17911	3.3
229.19501	7.3
231.08640	0.6
231.21072	3.2
233.19087	0.7
237.07726	0.8
241.19508	2.7
243.21083	4.4
245.22629	3.0
253.19586	1.1
255.08582	2.7
255.21086	5.8
257.22614	6.5
269.06577	1.1
269.22632	6.7
271.24216	1.8
273.09683	2.4
283.24167	1.9
285.25797	0.7
287.07663	4.2
297.25818	1.2
305.08694	5.0
309.11813	4.7
321.08267	1.2
323.09802	1.8
339.09357	2.0
351.30399	0.7
365.31982	0.7
405.35141	2.4
407.36722	100.0
408.37042	1.7
425.37790	7.6
495.38336	4.1
715.63623	0.6
722.42065	0.7
884.48853	0.8
1018.22620	0.7
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
58.06598	8.5
59.07381	2.4
60.08162	73.9
61.08497	0.7
69.03423	0.7
71.28764	0.3
79.28499	0.1
86.06056	0.3
86.09697	0.2
87.04472	1.4
88.07621	0.1
92.14186	0.1
104.10739	100.0
105.11082	1.4
116.63625	0.1
121.36769	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	1040.578
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	7.1
75.04474	3.3
77.79907	0.5
79.05475	3.9
81.06581	1.1
81.07049	17.8
83.04987	7.1
83.08622	3.5
85.02898	52.8
87.04462	0.8
91.05479	5.0
93.07038	10.3
95.01329	2.3
95.04961	1.4
95.08601	31.6
96.08949	0.6
97.02280	1.1
97.02876	12.4
97.10161	2.6
99.04457	2.9
101.02372	12.5
103.03905	1.5
105.07024	9.6
107.08583	18.2
109.02882	1.3
109.10147	20.4
111.04435	10.2
111.11682	1.6
113.02341	1.4
115.03157	0.9
115.03916	11.3
117.05473	1.4
117.06967	0.8
119.08564	12.4
121.10132	14.4
123.11700	10.0
127.03907	31.9
129.05469	18.0
131.08562	3.5
133.04948	3.3
133.10121	12.3
135.11678	10.9
137.13234	7.4
139.03871	2.5
141.01817	10.4
143.08569	0.9
145.04948	24.5
145.10123	5.1
146.08095	0.6
147.06502	9.1
147.11667	9.0
149.13237	7.8
151.14778	1.2
157.04977	1.1
157.10109	1.5
159.02905	4.0
159.11693	7.5
161.13237	8.9
163.06085	0.7
163.14821	5.3
164.09157	0.9
165.07581	1.0
169.04967	1.0
170.55431	0.6
171.06523	0.9
171.11729	1.8
173.13246	4.9
175.14812	5.6
177.03949	0.9
177.16370	12.0
179.17966	1.7
185.13193	1.0
187.14812	4.5
189.16370	11.2
191.17932	13.6
199.14862	1.3
200.15327	0.7
201.16350	8.6
203.17921	11.8
205.19511	3.2
207.17387	1.2
213.16400	2.1
215.17931	7.0
217.07042	1.9
217.19492	11.1
219.04994	1.0
219.21071	1.3
225.07533	5.0
227.17924	2.4
229.19524	5.6
231.21030	4.5
241.19545	2.3
243.08672	5.3
243.20937	3.2
245.22650	1.4
255.21042	3.8
256.12442	0.6
257.22638	5.1
261.09711	1.6
269.22644	5.4
271.24203	2.3
273.05948	1.8
279.10699	5.9
283.24170	2.0
285.25824	0.6
287.07581	1.0
291.07086	1.0
293.11508	0.7
297.25803	2.6
305.08594	2.9
309.08044	0.6
365.32147	0.7
383.20566	0.7
407.36688	100.0
408.36890	2.3
425.37781	5.6
454.22046	0.9
498.65433	0.7
507.22177	0.7
601.41150	1.5
816.66534	0.7
1040.53833	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	1033.316
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57093	0.1
71.57458	0.1
73.02896	0.5
75.04465	0.4
77.03913	0.2
79.05479	0.1
81.03426	0.6
83.04970	1.7
85.02893	10.6
87.04457	0.3
91.05459	0.3
95.04958	1.1
97.02879	1.3
97.06549	0.1
99.04436	0.4
102.04663	0.1
103.05453	8.6
104.05778	0.2
105.03425	0.1
107.04958	0.2
109.02864	0.5
111.00765	0.4
111.04430	1.4
113.05998	0.1
117.05473	0.2
119.04925	0.7
121.02844	1.8
121.06476	0.2
123.04424	0.1
125.06004	0.1
127.03901	0.8
129.05464	2.4
131.04912	25.7
132.05266	0.3
133.02853	0.2
133.06433	0.1
134.59299	0.1
135.04401	0.2
137.02335	0.5
137.06015	0.1
145.04951	0.3
145.06444	0.1
147.04399	3.5
147.06427	0.9
149.05952	1.4
153.00578	0.1
153.01816	2.2
153.05460	0.4
157.05017	0.1
157.06459	0.3
161.02438	0.1
161.05963	0.1
163.06009	0.3
165.01822	1.1
165.05450	0.1
167.06950	0.1
169.04961	0.1
171.04315	0.1
171.06557	0.1
175.04034	0.1
175.07573	0.1
177.05472	0.1
183.02869	0.5
183.06494	0.1
185.05945	0.3
189.05486	0.1
197.30754	0.1
201.07677	0.2
213.05463	0.8
217.04620	0.1
229.05185	0.1
231.06430	0.5
233.07974	0.1
239.09131	0.5
241.04913	0.6
243.06424	0.1
257.10114	0.2
258.05194	0.8
259.05954	0.4
269.04446	0.1
275.08936	0.4
275.11652	0.1
277.10672	0.2
283.05856	0.1
285.03928	0.1
286.04767	0.2
287.05460	100.0
288.05801	2.4
293.10107	1.8
299.05371	0.6
300.06149	0.1
309.09720	0.1
311.05289	0.2
317.06635	0.2
325.06970	0.1
329.06506	1.3
341.00046	0.1
353.06430	0.4
359.10382	0.1
365.06427	0.2
379.08023	0.2
382.49051	0.1
395.07510	0.2
397.09103	0.7
415.10138	0.4
433.11325	0.8
439.15579	0.1
449.10745	24.1
450.10947	0.8
561.14325	0.1
579.14972	0.4
595.16168	0.3
723.18970	0.2
811.79987	0.1
992.52661	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	1032.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00645	0.8
76.02223	55.6
76.03967	1.7
79.05492	17.2
80.05007	1.3
81.03413	29.4
81.07050	20.2
83.04964	2.2
83.08607	8.3
84.04041	1.5
84.04498	15.6
85.02907	2.1
85.04008	2.2
85.38035	0.8
86.99044	2.4
88.02219	1.3
91.05475	16.1
91.08316	1.0
92.01709	0.8
93.07037	17.1
95.04959	11.8
95.08601	15.5
97.01068	0.8
97.02883	3.0
97.06532	2.2
97.10152	1.5
103.05444	1.0
105.07028	11.4
105.24158	0.8
107.04946	3.0
107.08581	9.2
109.06519	1.8
109.10138	6.7
111.08082	3.1
111.94321	0.7
115.05431	1.3
116.01664	15.2
117.07025	2.7
119.08571	9.4
121.06489	1.6
121.10141	7.5
123.04469	0.8
123.08081	1.7
123.11696	2.6
125.09592	2.0
129.06953	3.5
130.04990	10.0
131.04578	1.2
131.08575	6.7
133.06439	1.7
133.10152	5.5
135.11679	3.9
137.05809	1.0
142.03198	7.9
144.01151	9.6
145.06175	1.0
145.10135	4.0
147.08032	2.4
147.11659	4.7
149.09592	2.9
149.13245	2.6
150.22940	0.7
157.10126	5.3
159.11674	2.6
161.13260	2.1
162.02191	31.9
163.14793	1.3
170.02670	3.3
173.13223	2.2
175.11259	4.0
177.03259	4.6
179.04840	54.9
185.03792	1.3
187.05283	1.8
187.14780	1.4
189.11180	1.0
193.12221	7.7
215.04796	2.1
219.17296	0.9
227.12672	0.9
233.05898	14.8
243.21010	2.4
245.05919	3.7
261.22180	5.9
267.15884	27.8
273.18362	1.1
285.17065	0.8
291.06519	1.9
291.19461	1.3
301.25125	0.8
307.57645	0.8
308.09085	100.0
309.09402	1.8
317.24780	1.4
335.25766	27.9
336.26022	1.5
365.23380	0.9
453.33414	2.2
470.14340	1.3
471.34442	1.0
527.37262	13.4
545.38531	7.1
852.45477	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	1032.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00626	0.9
76.02222	48.5
76.03983	2.1
79.05489	12.3
79.05933	0.6
80.04984	1.1
81.03411	23.5
81.07058	14.3
83.04958	2.0
83.06092	0.9
83.08600	5.9
84.04037	1.3
84.04499	13.8
84.04971	1.4
85.02890	1.4
85.04015	0.9
85.37968	0.8
86.99030	2.9
91.05473	11.8
93.07034	11.6
95.04953	9.3
95.08596	11.6
97.02869	1.4
97.06504	1.5
97.10192	1.0
98.21473	1.2
105.07026	9.2
107.04926	2.2
107.08595	5.9
109.06489	1.3
109.10137	4.4
111.08058	1.8
114.03741	1.3
116.01675	14.2
117.07011	2.4
119.08569	6.6
121.06516	1.8
121.10137	5.6
123.08039	1.1
123.11676	1.2
124.97453	0.7
125.09681	0.8
129.07034	3.4
130.05000	9.5
131.08603	4.5
133.10091	3.3
134.36086	0.7
135.11678	3.2
137.09555	0.8
142.03203	6.3
143.08571	1.1
144.01146	9.0
145.10101	2.6
147.08076	1.1
147.11656	5.5
149.09616	1.7
149.13255	1.4
157.10120	3.2
159.11688	2.2
161.13196	1.4
162.02191	27.6
163.11121	0.9
165.12773	1.3
170.02692	2.4
173.13170	1.0
175.11189	2.7
177.03288	2.3
179.04845	54.0
185.13188	1.0
187.05312	1.4
187.14784	0.9
193.12199	6.5
208.05704	0.7
215.04814	2.1
227.12775	0.9
233.05916	13.9
243.21121	1.3
245.05936	3.4
261.22052	4.5
267.15891	26.7
268.16556	1.0
290.08017	1.2
291.06305	1.9
308.09082	100.0
309.09314	1.8
317.24896	1.7
335.25757	21.3
336.26025	0.9
375.34296	0.7
435.32672	1.4
453.33694	1.4
465.60306	0.7
468.08347	0.7
470.14249	0.9
527.37207	9.7
545.38312	5.8
834.45502	0.9
852.46680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.2
51.02377	5.1
53.03943	30.6
53.71407	0.5
55.01861	2.3
58.06596	0.7
60.08142	1.7
62.06087	1.7
63.85508	0.6
70.26198	1.0
70.26608	1.9
77.03923	8.5
81.03408	3.0
83.01088	0.6
86.06049	1.1
86.15627	0.6
95.04961	71.5
96.05254	0.6
102.04679	6.7
103.05461	100.0
103.08702	1.6
104.05804	2.2
104.10746	2.0
105.04504	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	1023.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01335	0.2
71.04988	7.8
73.02874	0.4
75.04436	0.3
77.03902	0.2
79.05494	0.7
79.47147	0.1
81.03416	0.9
83.04977	1.2
85.02898	11.6
87.04420	0.2
95.04964	1.8
97.02884	4.4
97.06498	0.1
99.04406	0.4
105.03383	14.4
105.04469	0.5
105.07075	0.1
106.67887	0.1
109.02875	0.7
111.00791	0.5
111.04430	1.4
113.05928	0.1
114.65813	0.1
117.05448	0.3
119.04920	0.2
120.04459	0.6
121.02843	0.7
123.04413	1.9
127.03903	1.7
129.05473	3.0
131.86023	0.1
137.02332	2.3
137.03371	0.1
137.05978	0.2
141.05298	0.1
145.04893	0.5
145.06357	0.1
147.04399	0.1
147.06502	0.7
149.02277	0.3
153.01816	2.1
153.05360	0.3
161.05928	0.2
163.03854	0.4
163.05963	0.2
165.01822	1.6
167.07045	0.8
171.06471	0.2
173.05922	0.4
181.04927	0.5
183.02979	0.5
183.04295	0.2
187.03835	0.2
195.02876	0.2
201.05513	0.9
219.02820	0.2
219.06529	0.3
229.04929	3.0
231.06528	0.1
239.03290	0.2
239.09053	0.4
240.48386	0.1
247.06026	0.7
249.07558	0.8
257.04428	2.0
257.10175	0.2
267.08603	2.2
274.04672	0.5
275.05460	0.2
275.51004	0.1
282.09570	0.1
285.03937	1.1
287.05527	1.8
288.05844	0.3
302.04224	0.2
303.04962	100.0
304.05298	1.4
315.04941	0.5
316.05603	0.1
327.04977	0.3
330.38354	0.1
345.06009	1.3
357.13330	0.2
369.05991	0.3
385.12888	0.2
395.07556	0.3
409.27692	0.1
413.08612	0.6
431.09460	0.4
449.10806	1.4
465.10269	28.7
466.10550	0.5
569.12866	0.3
611.15814	0.4
713.16870	0.2
731.18024	0.2
775.27789	0.5
861.28217	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	102.0555
Annotation	1-Aminocyclopropane-1-carboxylic acid
Peak:m/z	Relative Intensity
53.19522	0.4
56.05034	100.0
57.05362	0.8
58.06605	3.7
59.07388	2.7
60.95857	0.4
69.86425	0.4
70.99253	0.4
71.47144	0.7
71.47500	0.6
74.02441	30.7
74.06078	11.0
84.04510	5.5
85.02900	2.1
87.06856	0.7
93.60056	0.5
102.05537	15.8
102.06185	1.0
102.09190	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	1021.547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21661	0.5
72.04514	18.9
73.02908	0.6
79.05140	0.4
79.05489	4.3
81.03402	0.8
81.07063	3.7
81.91459	0.4
85.02879	1.0
91.03909	0.5
91.05053	0.4
91.05478	4.2
92.04469	0.6
92.04993	6.2
93.05748	1.4
93.07048	3.3
94.06534	1.0
95.04962	0.9
95.08604	3.2
97.02869	1.0
97.10126	0.5
98.21533	0.4
105.06999	1.6
106.06541	2.3
107.08604	1.3
108.67301	0.4
109.06543	0.5
109.10116	1.7
112.79802	0.5
117.05735	2.9
117.06960	0.8
118.06538	26.6
119.07310	1.9
119.08500	1.2
120.08114	2.6
121.10135	0.8
130.06508	3.0
131.07285	2.9
131.08499	0.9
132.08069	3.5
133.10121	1.1
134.09653	1.0
135.11664	0.7
136.06178	9.1
144.08067	5.4
145.08833	2.0
145.09901	0.5
146.09604	1.8
158.09589	1.0
159.11668	0.7
160.11237	0.7
189.07826	0.5
189.10199	3.7
190.10936	0.9
202.15910	8.1
203.11836	0.7
215.08183	1.5
218.15417	1.7
230.15388	86.0
231.15717	2.0
248.16458	20.5
249.16771	0.5
256.16946	5.0
258.18460	0.6
272.16437	1.1
274.17984	11.7
283.18024	1.1
289.19150	2.1
299.17661	2.3
300.15918	5.3
301.19058	12.5
302.19528	0.5
304.19009	8.7
317.18622	1.8
318.17316	0.7
319.20151	37.1
320.20642	1.4
322.20200	2.1
327.16989	9.4
328.15240	4.9
330.20798	1.2
335.25873	3.2
345.18066	32.9
346.16754	1.8
348.21597	0.5
363.19177	4.9
374.19598	1.2
375.22818	10.8
393.23843	4.2
419.21835	3.5
420.20499	1.5
437.22919	2.0
537.28021	1.3
564.40576	1.9
576.96997	0.5
582.41602	0.6
598.14423	0.5
599.28638	0.5
608.42883	1.7
635.44067	10.2
636.44293	0.8
643.50909	0.4
653.45258	22.5
654.45728	1.0
661.42358	0.5
679.43109	20.1
680.41656	6.4
697.44165	100.0
698.44556	7.8
770.48376	0.5
815.50598	6.1
842.47150	2.4
859.49420	56.8
860.50085	5.0
977.56000	6.9
1004.51910	2.1
1021.54443	13.4
1022.55035	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	0.9
71.19698	1.9
73.02915	1.5
74.02431	15.7
76.01887	0.6
77.84212	0.8
79.05485	17.4
81.03410	34.6
81.06582	1.5
81.07049	22.6
82.07388	1.1
82.12408	0.9
83.04979	2.4
83.08604	9.3
85.02898	5.2
85.06502	0.8
87.05582	24.7
88.03979	4.3
91.03968	4.1
91.05471	18.7
92.05832	1.0
93.07030	17.1
95.04967	12.4
95.08598	15.2
97.02890	3.1
97.06510	2.2
97.10173	2.2
103.90037	0.8
105.07024	11.5
107.04967	3.8
107.08578	10.7
109.06511	2.5
109.10143	8.3
111.08061	2.3
116.03432	6.1
117.06989	3.9
119.08553	9.6
121.06493	1.1
121.10136	8.7
123.04437	1.1
123.08066	0.9
123.11716	2.9
124.03925	0.7
125.09632	2.4
127.03905	1.6
129.07042	4.0
131.08559	8.8
133.06071	100.0
133.10072	6.9
135.11665	5.0
137.09630	1.0
142.07742	1.2
145.04945	1.2
145.10117	4.6
147.04399	1.0
147.08034	1.8
147.11676	6.0
149.09653	2.4
149.13252	3.7
157.10120	4.7
159.11697	3.0
161.06015	1.2
161.13242	2.4
163.05995	2.6
163.11134	1.5
163.14798	2.0
173.09605	0.9
173.13260	3.1
175.07191	1.1
175.11172	3.6
175.14720	1.1
185.13155	0.9
187.14871	1.7
189.11234	1.8
193.12225	8.3
194.11700	1.2
210.14851	1.8
227.12729	2.6
236.12781	1.3
243.21138	2.1
243.47435	1.0
254.13867	3.3
261.22137	6.9
262.82159	0.8
267.15887	41.5
273.15021	0.9
275.20050	1.5
276.20422	1.3
301.14178	0.8
301.25247	2.5
309.16898	1.9
310.16461	1.0
317.24698	1.4
335.25754	31.1
336.26459	1.1
345.06824	1.1
349.23755	1.5
421.25763	1.3
435.27258	1.9
435.32477	1.5
453.33551	2.6
471.34598	1.2
504.33475	1.0
527.37262	22.6
543.36584	1.2
544.37378	1.5
545.38263	21.3
546.38159	1.1
569.37964	3.1
623.41193	1.1
624.42926	2.5
635.39545	1.3
651.41724	1.8
653.40125	1.0
677.43323	3.1
695.44202	1.4
802.52124	1.0
1001.03290	1.0
1019.51111	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	1019.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	1.2
71.57472	1.2
72.84991	0.7
73.02925	0.8
74.02435	15.2
79.05493	17.2
81.03417	30.5
81.07055	23.9
83.04973	2.1
83.08619	9.3
85.02910	7.4
87.05589	25.1
88.03991	4.4
89.49751	0.8
91.03958	3.8
91.05477	16.6
93.07043	18.9
94.96817	0.7
95.04958	11.7
95.08605	17.8
97.02892	3.7
97.06495	0.8
97.10171	2.5
105.07030	10.6
107.04936	2.6
107.08587	11.3
109.06513	2.6
109.10157	7.4
111.08075	3.3
113.20636	0.9
115.05439	1.4
116.03443	6.0
117.07011	3.2
119.08582	10.6
121.06474	1.3
121.10158	11.7
123.04370	1.1
123.08068	1.1
123.11709	3.4
125.09637	1.9
127.03934	2.1
129.06989	3.2
131.08565	7.8
133.06082	100.0
133.10110	5.8
135.08133	1.2
135.11703	6.3
137.09622	1.2
142.07774	1.3
143.08548	0.9
145.04944	2.3
145.10112	5.0
147.04416	0.9
147.08028	1.4
147.11650	6.5
149.09619	2.5
149.13245	2.7
155.08444	0.8
157.10123	4.1
159.11694	3.6
161.13281	2.8
163.06007	2.5
163.11163	0.9
163.14799	2.1
165.12793	1.0
171.11635	1.0
173.13277	2.0
175.11217	2.8
175.14880	1.5
177.16339	0.9
181.56148	0.7
183.11671	0.7
187.14854	1.2
189.11267	1.0
192.92982	1.0
193.12250	10.3
201.16408	0.9
203.77379	0.7
210.14868	0.9
227.12854	2.0
235.13300	1.6
243.21089	2.7
254.13803	2.7
257.70175	0.7
261.22119	9.6
267.15909	39.7
268.16394	0.9
273.15070	0.9
288.03268	0.7
301.14291	0.8
301.25229	3.6
309.16928	2.4
317.24780	1.8
335.25793	40.6
336.26071	1.1
421.25488	1.3
435.32437	2.4
453.33783	3.5
471.34702	2.5
527.37317	30.4
528.37378	1.9
545.30493	1.4
545.38348	23.0
546.38562	1.7
569.38013	5.1
633.40497	1.4
635.38269	1.0
651.41711	2.6
677.44263	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	6.3
72.63289	1.3
73.02888	2.3
77.03909	1.8
78.55965	1.3
79.05487	80.5
79.99473	1.4
81.03423	18.0
81.07051	100.0
83.04971	18.1
83.08612	21.8
85.02897	13.6
85.06530	3.5
91.03939	2.8
91.04894	3.2
91.05475	73.1
93.07039	83.9
95.04960	24.4
95.08601	49.7
97.02879	10.7
97.06519	26.8
97.10163	23.5
99.04446	3.0
99.08092	3.1
101.02370	1.5
103.05473	3.8
105.04537	3.3
105.07030	72.2
107.04959	15.5
107.08582	60.0
109.02879	4.8
109.06530	11.1
109.10152	23.5
111.04466	2.6
111.08089	9.7
113.09648	2.7
115.05445	3.6
117.07010	28.6
119.08573	44.3
121.06537	8.8
121.10128	24.0
123.08092	7.6
123.11720	6.4
125.09640	17.6
127.03913	8.7
128.06223	3.9
129.05482	2.4
129.06989	12.3
130.07779	2.5
131.08563	39.1
131.60831	1.4
132.28189	1.8
132.29332	1.4
133.06465	5.0
133.10121	42.4
135.08037	7.3
135.11679	22.6
137.09615	6.9
141.06984	4.9
142.07767	1.9
143.08545	13.6
145.04944	3.4
145.06479	3.4
145.10121	34.1
147.08066	5.4
147.11670	20.2
149.09616	28.6
149.13249	15.0
151.11197	4.5
153.09100	3.2
155.08534	8.1
156.09300	2.2
157.10104	12.8
159.08160	2.0
159.11668	23.2
161.09596	4.4
161.13254	9.5
163.11179	15.7
165.12738	2.9
167.08588	2.3
169.10104	8.8
169.47583	1.7
170.11163	1.6
171.10323	2.6
171.11664	8.7
173.04495	4.5
173.09583	2.3
173.11848	2.6
173.13191	11.4
175.11172	3.6
175.14810	2.7
177.12749	6.7
179.14297	6.4
181.10104	3.8
183.11636	8.6
185.09708	1.6
185.13210	3.7
187.11140	3.1
187.14821	3.7
189.11226	14.8
189.12750	2.7
195.11974	3.0
195.13818	8.7
197.13293	5.5
199.14859	2.9
201.12842	2.1
201.16464	1.8
205.10385	1.5
209.13322	2.4
211.14890	3.6
215.14288	1.7
217.10336	1.7
217.15887	2.4
219.13789	2.2
221.13222	1.9
223.14923	1.5
227.12752	34.2
229.14307	3.7
229.19507	6.2
239.18015	5.6
245.13666	3.3
247.20659	4.0
253.18112	3.3
255.15817	13.4
257.19058	19.6
267.15933	3.1
269.17465	33.6
273.18457	1.9
275.20050	78.5
276.20398	2.0
277.21393	1.7
293.21155	6.9
313.21561	2.8
321.24341	3.3
331.22577	5.7
347.22510	2.0
349.23712	63.1
353.24500	2.5
367.24866	5.2
397.21777	1.7
423.27551	2.9
425.25583	1.8
431.27972	3.0
433.30655	3.0
435.27057	2.2
439.26749	3.5
445.29623	5.2
449.28906	15.9
451.31763	1.9
463.30511	21.6
469.33215	2.8
487.33328	2.0
503.33658	8.3
511.34323	2.2
519.32983	4.0
525.35760	9.3
527.37280	3.5
529.35382	14.6
531.37579	2.6
543.36761	62.3
544.36761	2.4
547.36041	2.1
561.37909	7.6
595.00775	1.9
605.41663	2.1
607.34784	4.1
623.43054	26.8
641.43665	7.3
659.44501	1.9
687.40894	4.0
785.47961	2.1
1018.58508	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	1018.593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	2.1
71.04979	6.2
73.02889	3.1
77.03921	1.7
79.05484	78.4
80.91409	1.2
81.03410	18.0
81.07047	100.0
83.04979	17.0
83.08611	21.5
85.02888	10.8
85.06537	6.7
91.03932	3.6
91.05470	64.8
93.07030	84.3
95.04967	18.4
95.08598	47.5
95.09228	1.8
97.02878	10.2
97.06522	22.3
97.10155	11.1
99.04433	2.9
99.08062	4.8
103.05463	3.0
105.07022	56.4
107.04953	14.0
107.08585	51.3
108.08902	1.9
109.02880	2.7
109.06509	12.5
109.10148	21.3
111.04446	2.3
111.08076	9.9
113.09619	1.7
115.05453	5.0
117.07000	28.9
119.08569	38.6
119.66280	1.2
121.06483	9.9
121.10123	27.2
121.10924	2.2
123.08058	4.5
123.11717	7.1
125.09620	13.4
127.03928	6.6
127.07501	1.3
128.06213	3.2
129.05466	2.4
129.07007	10.4
130.07733	2.8
130.09801	1.2
131.04895	1.7
131.08553	29.7
133.06502	3.2
133.10114	35.4
135.08044	8.7
135.11658	18.5
137.09604	5.2
138.28078	1.4
141.06970	4.0
143.08553	11.8
144.09363	1.9
145.04939	2.7
145.06558	1.9
145.10107	29.7
147.08005	2.4
147.11667	19.8
147.26649	1.5
149.09599	22.9
149.13240	18.4
151.11179	4.9
153.09067	1.4
153.12729	1.3
155.08531	6.8
156.09383	1.7
156.31158	1.3
157.10074	9.3
159.08003	2.5
159.11670	22.2
161.09590	4.0
161.13237	6.9
163.11143	14.1
165.07028	1.9
165.09056	1.8
165.12697	2.8
167.08540	2.1
169.10127	6.2
171.10202	2.3
171.11668	9.0
173.04407	5.9
173.09608	2.0
173.11868	1.7
173.13295	9.8
175.11185	3.3
177.12706	7.5
179.14272	4.9
181.10052	3.5
181.12192	2.4
183.11693	4.2
185.09734	2.0
185.13210	4.3
187.11211	2.2
187.14775	2.2
189.11211	8.0
189.12778	2.0
189.16461	1.3
195.11884	2.8
195.13794	10.3
197.13303	2.9
199.14856	3.0
201.12714	1.6
209.13249	1.8
211.14801	1.6
213.12830	1.3
213.14656	1.6
213.16479	1.9
215.14415	1.9
215.18054	1.7
219.13806	1.7
227.12735	17.3
229.14265	3.4
229.19485	3.6
233.15291	2.2
239.17912	4.7
245.13785	2.0
247.20554	3.4
251.16367	2.2
253.14273	1.4
253.18051	2.2
255.15907	12.9
257.18979	15.8
259.20493	2.6
267.15897	3.7
269.17441	46.4
273.18460	2.4
275.20050	65.0
293.21088	5.7
295.20370	1.3
302.73944	1.3
321.24185	2.6
331.22617	5.6
349.23676	57.5
367.24780	6.5
395.20535	2.5
409.25705	1.6
413.21799	2.6
423.27286	4.3
431.28091	1.8
433.30597	1.9
435.27054	2.1
439.26785	3.6
445.29410	3.1
449.29007	24.0
451.32013	1.8
463.30463	41.7
479.30151	1.4
504.37805	2.6
511.34137	2.7
515.37372	2.7
519.33191	3.0
524.52692	1.7
525.35675	8.4
529.35205	10.9
543.36761	71.1
544.36792	3.1
547.35986	3.6
561.38141	10.0
593.33331	2.5
607.34387	5.0
623.42914	12.1
641.44440	8.1
662.43829	1.7
666.10962	1.7
687.40704	4.1
705.42487	2.0
1018.60693	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	1016.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19933	2.9
75.99353	1.1
76.75270	1.0
79.05482	37.3
81.03416	9.1
81.06582	2.2
81.07045	37.9
83.04971	5.6
83.08607	11.2
85.02898	4.5
85.06546	2.5
91.05470	28.5
93.07030	30.3
95.04955	13.6
95.08600	17.2
95.24701	1.1
97.02876	9.9
97.06525	10.5
97.10156	16.6
105.06332	0.9
105.07018	26.5
107.04955	10.8
107.08575	25.5
109.02852	1.5
109.06503	5.2
109.10145	11.8
111.04440	2.0
111.08064	2.4
113.05906	1.5
114.44277	1.2
115.05444	2.1
117.06997	11.5
119.04862	1.4
119.07790	1.7
119.08572	18.7
121.06498	4.5
121.10122	11.3
123.04415	1.2
123.08059	4.3
123.11668	3.1
125.09611	12.2
127.03901	1.3
129.06990	4.5
130.07770	1.3
130.72163	1.1
131.08539	16.0
133.06467	4.0
133.10107	13.7
135.08038	4.9
135.11641	8.3
136.06207	1.2
137.09621	3.2
141.06952	1.4
143.08563	7.1
145.10097	15.4
147.08012	5.7
147.11652	8.6
149.09598	9.1
149.13235	4.6
151.11166	2.2
153.09079	2.0
155.08542	1.3
157.10106	5.1
159.11653	9.9
161.09616	3.9
161.13239	3.5
163.11130	6.4
165.09065	1.9
169.10104	2.7
171.10133	1.8
171.11659	3.8
173.04431	1.9
173.13190	2.9
175.11211	4.2
177.12706	3.6
179.14259	2.2
183.11633	2.5
185.13200	2.0
187.13257	1.4
189.11224	8.8
189.12692	1.9
193.12289	1.6
195.13776	2.8
196.32393	1.1
197.13275	2.0
198.23450	1.3
205.12187	2.9
211.13275	1.2
223.13239	16.3
227.12744	19.6
229.19423	1.5
231.51434	1.2
239.17915	2.9
245.13983	1.7
245.18912	1.7
247.20505	1.7
249.14835	2.5
252.14005	1.3
253.14314	1.4
255.15912	2.9
257.19049	5.5
267.15881	2.8
269.17395	11.1
273.18384	13.9
275.20013	27.1
291.19498	100.0
292.19897	2.1
293.21210	1.6
326.57327	1.4
331.22580	2.2
335.25629	1.8
347.22031	2.5
349.23685	21.4
365.23215	46.6
413.20529	1.4
461.28976	2.3
519.32953	4.6
535.32434	3.5
541.35205	3.2
543.37244	1.7
545.34747	10.2
559.36255	39.4
560.36279	2.8
570.51099	1.3
573.31079	1.3
621.41278	4.0
639.42499	43.7
640.42285	4.3
657.43140	4.9
703.40106	2.4
882.77539	1.3
966.05322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	6.3
56.96564	9.0
57.04560	1.6
58.96164	8.3
59.06124	10.3
59.96166	1.4
60.04526	4.1
60.95858	4.6
70.30345	2.6
73.94859	1.9
74.06071	1.4
80.54889	0.8
80.74837	0.8
82.99866	0.8
83.01498	1.3
83.06105	1.4
84.04515	2.5
100.02463	1.5
100.97191	2.7
100.97985	2.4
101.00871	14.0
101.02549	12.1
101.07136	2.6
102.02215	4.1
108.97064	0.8
118.03563	1.2
118.98206	2.5
118.99059	2.1
119.01917	100.0
119.03602	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	1008.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27068	0.4
70.27485	0.3
71.04985	4.4
73.02930	0.3
75.04454	0.3
76.17744	0.1
78.03452	1.1
80.04996	0.8
81.03408	1.1
83.04965	0.4
85.02898	5.2
87.04433	0.2
96.04488	1.1
97.02885	1.7
99.04460	0.3
106.02217	0.3
106.02905	4.7
109.02875	0.6
111.00800	0.3
111.04424	0.4
121.02843	1.7
124.03940	30.8
125.04313	0.3
127.03895	0.6
129.05472	0.9
133.02869	0.5
137.02344	0.4
139.38544	0.2
145.04884	0.1
147.04408	0.5
147.06554	0.2
153.01808	1.9
157.06491	0.2
165.01843	0.8
183.02945	0.3
196.06010	0.3
204.97546	0.2
212.41336	0.2
213.05486	0.8
217.04950	0.2
231.06581	0.5
241.04932	0.7
250.07079	1.1
258.05209	0.6
259.05899	0.4
268.08139	20.8
269.04333	0.2
269.08429	0.4
286.04971	0.2
287.05469	100.0
288.05814	3.0
299.05548	0.9
303.05115	0.4
304.05130	0.2
311.05515	0.2
329.06461	2.0
353.06503	0.4
379.07993	0.3
397.09171	1.2
414.13852	2.1
415.10242	0.5
430.13455	0.7
433.11258	1.3
449.10764	27.6
450.11285	1.1
554.12817	1.2
595.16534	0.3
698.16235	0.4
700.18268	0.3
716.18176	8.3
717.18378	0.6
862.23273	0.3
869.95020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93069	0.2
69.93491	0.4
71.01321	0.1
71.04987	6.3
73.02872	0.5
75.04436	0.3
77.03898	0.3
79.05495	0.6
81.03412	0.9
83.04972	1.3
85.02895	10.4
86.03233	0.1
87.04435	0.2
87.84615	0.1
90.77578	0.1
95.04959	1.7
97.02878	3.7
98.21448	0.1
99.04423	0.5
105.03380	13.0
105.04485	0.5
106.03720	0.1
107.04945	0.2
109.02853	0.7
111.00788	0.4
111.03815	0.1
111.04437	1.2
114.86278	0.1
117.05436	0.2
120.97025	0.1
121.02846	1.9
123.04422	1.5
125.06010	0.1
127.03909	1.6
129.05467	2.6
133.02788	0.3
135.04369	0.1
137.02292	0.3
145.04906	0.4
147.04349	0.3
147.06529	0.9
153.01811	1.7
153.05408	0.3
157.06435	0.2
163.06000	0.3
165.01794	0.9
166.06551	0.1
171.06517	0.1
183.02881	0.6
185.05850	0.2
189.05408	0.1
207.06436	0.1
211.06285	0.1
213.05406	0.5
213.07349	0.1
231.06474	0.6
239.09106	0.3
241.04971	0.6
243.06387	0.1
249.07552	0.8
257.10300	0.1
258.05139	0.7
259.05960	0.3
267.08615	2.0
269.04510	0.2
275.11227	0.2
286.04724	0.2
287.05460	100.0
288.05789	2.5
299.05447	0.6
311.05460	0.1
325.07092	0.1
329.06485	1.2
353.06476	0.3
379.08237	0.3
395.13367	0.1
397.08905	0.7
413.08646	0.1
415.10233	0.4
433.11392	0.9
449.10748	29.7
450.11050	1.2
498.10599	0.1
535.12592	0.1
541.66266	0.1
553.13495	0.2
595.16467	0.2
697.17273	0.4
715.18384	0.3
825.16736	0.1
856.34796	0.1
863.29181	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	1007.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06558	0.1
71.01334	0.1
71.04990	2.4
71.57433	0.1
73.02890	0.1
73.06504	0.1
77.03944	0.1
79.05492	0.9
81.03407	1.0
81.07056	1.0
83.04971	2.3
85.02898	4.3
85.06505	0.2
87.04466	0.1
91.05472	1.1
93.07040	1.3
95.04961	1.3
95.08562	0.3
97.02885	0.7
97.05926	0.1
97.06519	1.7
99.04459	0.8
101.05982	0.1
103.05416	0.2
105.03378	0.2
105.07021	2.8
107.04926	0.5
107.08588	0.9
109.02853	0.6
109.05859	0.1
109.06513	0.9
111.00801	0.5
111.04433	0.5
111.08002	0.1
113.06038	0.1
115.05396	0.2
117.07005	0.7
119.04897	0.4
119.08578	0.7
121.02016	0.1
121.02858	1.6
121.06490	0.9
121.10124	0.7
123.04371	0.3
123.08036	0.1
125.05979	2.3
127.03905	0.6
127.07502	0.3
128.06184	0.2
129.05472	0.7
129.06992	0.4
130.07736	0.4
131.04840	0.1
131.08566	1.1
133.02792	0.3
133.06520	0.5
133.10077	0.4
135.04373	0.3
135.08026	0.2
135.11650	0.2
137.02347	0.7
137.05959	0.8
139.07535	0.1
141.06944	0.2
143.06992	2.4
143.08475	0.4
144.09267	0.3
145.04927	0.2
145.06424	0.5
145.10109	4.6
147.04398	0.5
147.06360	0.1
147.08069	0.2
147.11684	0.2
149.09616	0.1
151.07495	0.5
153.01810	2.5
153.05490	0.2
154.07677	0.1
155.07036	0.2
155.08342	0.1
157.06430	0.3
157.08548	0.2
157.10103	0.1
158.07246	0.4
159.08086	0.4
159.11673	1.8
161.09599	0.2
161.13287	0.1
163.07506	0.1
163.09857	0.1
163.11160	2.0
165.01807	1.4
167.06931	0.1
167.08488	0.1
169.06242	0.1
169.10138	0.6
171.04312	0.1
171.11630	0.2
172.08768	0.2
173.09601	2.3
175.11240	0.1
177.05435	0.1
177.12711	0.5
183.02887	0.6
185.05965	0.3
187.11160	3.4
188.11375	0.1
189.05402	0.2
189.12645	0.1
190.20961	0.1
191.10661	1.7
197.05881	0.1
197.09581	0.3
201.05563	0.1
203.06972	0.2
205.10739	0.1
205.12209	2.7
209.11691	1.2
213.05417	0.9
215.10657	2.8
223.13187	0.2
229.04890	0.3
231.06468	0.5
233.11697	2.5
233.14059	0.1
241.04930	0.7
251.12790	2.5
257.04337	0.1
258.05200	0.7
259.05978	0.4
269.04434	0.2
269.13818	0.7
286.04855	0.1
287.05472	100.0
288.02573	0.1
288.05814	2.1
299.05518	0.3
303.04962	4.7
311.05435	0.1
315.04874	0.1
329.06506	0.6
353.06467	0.2
365.06369	0.1
377.15781	0.2
379.08011	0.1
379.17575	0.1
395.07990	0.1
395.17004	0.9
397.09189	0.1
413.18045	1.5
431.09839	0.1
433.11407	0.2
449.10764	18.7
450.11057	0.3
535.05457	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87405	15.2
71.04963	5.3
79.05492	84.7
81.03411	10.3
81.07057	96.8
81.20166	2.3
83.04981	11.5
83.08617	17.6
85.02892	15.0
85.06532	3.5
91.03964	6.0
91.05478	100.0
93.06474	5.4
93.07044	89.7
93.07632	4.3
95.04975	15.2
95.08600	63.3
97.02888	12.7
97.06516	9.8
97.10152	16.8
98.21492	2.9
99.04440	4.6
99.08099	4.3
105.04523	5.4
105.07029	88.0
107.04942	9.9
107.08595	54.1
109.02897	3.6
109.06487	11.3
109.10152	25.4
111.08091	6.4
115.05476	3.1
117.07022	41.5
119.08582	60.5
121.06474	5.5
121.10144	31.0
123.08054	7.9
123.11710	9.3
125.09634	8.4
127.03876	4.5
128.06201	4.6
129.05449	2.9
129.06989	21.4
131.08578	55.1
133.06494	4.9
133.10133	53.6
135.08051	8.4
135.11684	24.0
136.06216	3.7
137.09605	6.7
141.06961	7.2
142.07729	5.5
143.08565	25.7
145.04991	4.0
145.06459	5.7
145.10135	37.6
147.08086	4.1
147.11665	34.5
149.09650	8.1
149.13269	15.8
151.11162	3.7
155.08513	13.1
157.10124	20.8
159.11688	27.8
161.09592	5.7
161.13251	20.6
163.11198	8.3
163.14789	4.1
165.06958	2.4
165.12761	2.9
167.08569	4.9
169.10143	16.8
171.11684	23.6
173.04500	5.9
173.13235	17.2
175.11200	5.6
175.14874	7.8
180.56842	2.6
181.10178	4.0
182.10944	3.6
183.11681	10.5
185.13277	14.2
187.14807	7.6
189.12743	3.8
193.10133	2.4
195.11667	6.5
195.13858	2.9
197.13248	13.2
199.14812	10.4
201.12802	3.6
203.14261	3.4
209.13295	4.5
211.14827	4.0
213.16417	4.9
221.13364	4.5
223.14833	6.9
225.16327	3.2
227.12744	3.0
235.14766	3.8
237.16359	4.2
239.18063	4.1
241.19507	16.0
255.15802	5.8
257.19028	7.7
259.20578	37.5
269.17435	14.3
271.20599	3.4
273.18497	10.9
275.20126	19.6
289.21628	2.8
291.19568	8.3
313.21472	3.3
315.23175	5.9
316.28418	2.3
316.32767	2.7
316.95187	2.2
333.24240	48.7
335.25882	18.7
339.22839	2.9
347.22354	4.9
349.23691	12.7
365.23196	8.3
367.24881	4.1
435.32629	3.6
453.33270	4.3
513.35693	22.1
515.38568	4.4
527.37390	48.2
531.36517	4.5
533.39606	4.6
543.36786	3.0
545.38318	6.9
597.44348	3.2
607.43640	43.0
625.44537	57.4
643.45972	13.1
653.40112	3.8
689.42529	3.9
787.49750	3.6
840.51575	3.4
1002.60358	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	1000.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05013	5.0
71.58225	7.7
74.87608	4.0
79.05488	73.7
81.03419	17.7
81.07056	63.8
83.04980	4.8
83.08627	18.5
85.02872	8.6
91.05478	85.2
93.07038	61.8
95.04951	22.2
95.08613	42.8
97.02862	15.9
97.06538	10.1
97.10178	13.2
105.07031	72.0
107.04960	15.4
107.08585	47.2
109.06528	10.9
109.10175	16.5
117.06992	23.9
119.08585	65.5
121.10117	20.9
123.11746	7.5
125.09623	11.7
127.64149	4.6
128.06232	8.3
128.64365	5.6
129.07007	16.1
131.08549	40.4
133.06514	5.4
133.10123	36.9
135.08040	7.1
135.11711	19.7
136.06174	99.9
137.09636	5.5
141.07007	7.3
142.32466	3.9
143.08571	18.9
145.10117	26.4
146.42363	4.2
147.08026	5.3
147.11665	25.1
149.09592	7.0
149.13292	8.5
157.10150	18.3
159.11722	17.5
161.09599	4.9
161.13251	24.6
163.11166	5.4
169.10129	8.5
171.10222	4.3
171.11639	12.2
173.13257	12.7
175.11292	4.6
175.14896	9.0
175.76030	3.9
181.10138	6.1
183.11665	5.4
185.13261	10.1
189.11209	9.0
197.13248	9.3
199.14792	5.3
223.13271	13.3
227.12810	14.3
230.89388	5.1
241.19547	24.2
245.61804	4.7
257.18863	5.5
259.20560	49.1
267.15909	10.0
273.18225	6.2
275.20108	14.2
289.18021	5.8
291.19534	100.0
313.27271	9.1
315.23242	10.0
333.24261	63.1
335.25650	11.7
349.24054	5.0
365.23172	50.1
373.39883	4.8
381.22882	7.3
525.35620	15.8
543.36475	15.7
545.67664	4.5
550.94775	4.4
605.41937	14.5
623.43011	79.7
624.42743	5.7
641.43787	16.1
676.46387	11.0
838.50323	6.4
952.19043	6.3
END